A0A061AEA3_CAEEL Loading...

CULLIN_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AEA3, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 828 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
1M76.6Confident85.3Confident78 Ų7834.8 Ų34.838%0.38418%0.184SC..  0-63.80-169-152.8-70.400110.6T3 W4 N5 R233 G234 Y320M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 3.48Å; M1-W4 PolarHBondContact O-N 3.34Å; M1-W4 VanDerWaalsContact O-N 3.11Å; M1-N5 PolarHBondContact O-N 3.21Å; M1-N5 VanDerWaalsContact O-N 3.09Å; M1-R233 VanDerWaalsContact CE-O 3.3Å; M1-R233 WeakPolarHBondContact CE-O 3.31Å; M1-G234 WeakPolarHBondContact CA-O 3.38Å; M1-Y320 HydrophobicContact CE-CE2 3.55Å; M1-Y320 WeakPolarHBondContact CE-OH 3.48Å
2L85Confident84.7Confident114 Ų11439.7 Ų39.760%0.59720%0.198SC*.Hα-helixtrans-50.8-47.8179.4-67.3174.7000112.5W4 N5 V6 L40L2-W4 PolarHBondContact O-N 3.45Å; L2-N5 PolarHBondContact O-N 2.87Å; L2-V6 WeakPolarHBondContact O-CG2 3.28Å; L2-V6 PolarHBondContact O-N 3.42Å; L2-L40 HydrophobicContact CB-CD1 3.99Å; L2-L40 HydrophobicContact CB-CD2 4.22Å; L2-L40 HydrophobicContact CD1-CD2 4.16Å
3T88.4Confident83.9Confident22 Ų2240.1 Ų40.114%0.13520%0.201CC..Hα-helixtrans-52.3-50.4176.7-47.60000113.3M1 V6 L7 L37 A163 A167M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 3.48Å; T3-V6 PolarHBondContact O-N 3.22Å; T3-L7 HydrophobicContact CG2-CD1 4.13Å; T3-L7 WeakPolarHBondContact O-CB 3.31Å; T3-L7 VanDerWaalsContact O-CG 3.28Å; T3-L7 WeakPolarHBondContact O-CG 3.33Å; T3-L7 PolarHBondContact O-N 2.9Å; T3-L37 HydrophobicContact CG2-CD2 4.03Å; T3-A163 HydrophobicContact CG2-CB 4.02Å; T3-A163 WeakPolarHBondContact CG2-O 3.4Å; T3-A167 HydrophobicContact CG2-CB 3.65Å
4W88.6Confident83Confident3 Ų338.7 Ų38.71%0.01119%0.194CC..Hα-helixtrans-66.1-40.4-179.5-69.3125.2000112.4M1 L2 L7 C8 T159 L162 A163 V195 F196 L199 P386M1-W4 PolarHBondContact O-N 3.34Å; M1-W4 VanDerWaalsContact O-N 3.11Å; L2-W4 PolarHBondContact O-N 3.45Å; W4-L7 HydrophobicContact CD2-CD1 4.49Å; W4-L7 HydrophobicContact CE3-CD1 3.59Å; W4-L7 HydrophobicContact CZ3-CD1 3.7Å; W4-L7 PolarHBondContact O-N 3.41Å; W4-C8 PolarHBondContact O-N 2.86Å; W4-C8 PolarHBondContact O-SG 3.12Å; W4-T159 WeakPolarHBondContact CZ2-O 3.25Å; W4-T159 PolarHBondContact NE1-O 3.24Å; W4-L162 HydrophobicContact CH2-CB 3.89Å; W4-L162 VanDerWaalsContact CZ2-C 3.43Å; W4-L162 HydrophobicContact CZ2-CB 3.62Å; W4-A163 HydrophobicContact CD2-CB 4.37Å; W4-A163 HydrophobicContact CZ2-CB 3.84Å; W4-V195 HydrophobicContact CH2-CG1 4.38Å; W4-F196 HydrophobicContact CZ3-CD1 4.22Å; W4-F196 HydrophobicContact CZ3-CE1 4.33Å; W4-L199 HydrophobicContact CD2-CD2 3.78Å; W4-L199 HydrophobicContact CE3-CD2 3.65Å; W4-L199 HydrophobicContact CH2-CB 4.31Å; W4-L199 HydrophobicContact CH2-CD1 4.44Å; W4-L199 HydrophobicContact CH2-CD2 3.8Å; W4-L199 HydrophobicContact CH2-CG 4.4Å; W4-L199 HydrophobicContact CZ2-CD1 3.9Å; W4-L199 HydrophobicContact CZ2-CD2 3.88Å; W4-L199 HydrophobicContact CZ2-CG 4.33Å; W4-L199 HydrophobicContact CZ3-CD2 3.68Å; W4-P386 HydrophobicContact CE3-CB 4.23Å; W4-P386 HydrophobicContact CE3-CG 4Å; W4-P386 HydrophobicContact CZ3-CB 4.46Å; W4-P386 HydrophobicContact CZ3-CG 4.06Å
5N86.4Confident81.8Confident40 Ų4041.9 Ų41.921%0.21421%0.212CC..Hα-helixtrans-63.7-42.4176.2-72.6-28.6000112.1M1 L2 C8 I9 V236M1-N5 PolarHBondContact O-N 3.21Å; M1-N5 VanDerWaalsContact O-N 3.09Å; L2-N5 PolarHBondContact O-N 2.87Å; N5-C8 PolarHBondContact O-N 3.31Å; N5-I9 WeakPolarHBondContact O-CG1 3.4Å; N5-I9 PolarHBondContact O-N 2.92Å; N5-V236 WeakPolarHBondContact OD1-CG2 3.35Å
6V88.2Confident80.4Confident20 Ų2043.4 Ų43.412%0.12123%0.228CC..Hα-helixtrans-62.6-46.8174.8175.50000110L2 T3 C8 I9 T10 L33 L37L2-V6 WeakPolarHBondContact O-CG2 3.28Å; L2-V6 PolarHBondContact O-N 3.42Å; T3-V6 PolarHBondContact O-N 3.22Å; V6-C8 VanDerWaalsContact C-N 3.34Å; V6-C8 PolarHBondContact O-N 3.31Å; V6-I9 PolarHBondContact O-N 3.24Å; V6-I9 VanDerWaalsContact O-N 3.14Å; V6-T10 WeakPolarHBondContact O-CB 3.49Å; V6-T10 PolarHBondContact O-N 3.35Å; V6-T10 PolarHBondContact O-OG1 3.14Å; V6-L33 HydrophobicContact CG1-CB 4.09Å; V6-L33 HydrophobicContact CG1-CD2 4.1Å; V6-L37 HydrophobicContact CB-CD2 3.83Å; V6-L37 HydrophobicContact CB-CG 4.34Å; V6-L37 HydrophobicContact CG1-CD1 4.05Å; V6-L37 HydrophobicContact CG1-CD2 3.61Å; V6-L37 HydrophobicContact CG1-CG 3.55Å
7L88.6Confident79.2Confident0 Ų043.3 Ų43.30%023%0.227CC..Hα-helixtrans-57.7-42.2175.9-71.1169.9000112.8T3 W4 I9 T10 N11 L37 Q170 F196 P386T3-L7 HydrophobicContact CG2-CD1 4.13Å; T3-L7 WeakPolarHBondContact O-CB 3.31Å; T3-L7 VanDerWaalsContact O-CG 3.28Å; T3-L7 WeakPolarHBondContact O-CG 3.33Å; T3-L7 PolarHBondContact O-N 2.9Å; W4-L7 HydrophobicContact CD2-CD1 4.49Å; W4-L7 HydrophobicContact CE3-CD1 3.59Å; W4-L7 HydrophobicContact CZ3-CD1 3.7Å; W4-L7 PolarHBondContact O-N 3.41Å; L7-I9 PolarHBondContact O-N 3.11Å; L7-T10 PolarHBondContact O-N 3.19Å; L7-N11 PolarHBondContact O-N 3.37Å; L7-N11 PolarHBondContact O-ND2 3.05Å; L7-L37 HydrophobicContact CD2-CD1 3.83Å; L7-L37 HydrophobicContact CD2-CD2 4.35Å; L7-L37 HydrophobicContact CG-CD1 4.49Å; L7-L37 HydrophobicContact CG-CD2 4.2Å; L7-Q170 HydrophobicContact CD2-CB 3.55Å; L7-Q170 HydrophobicContact CD2-CG 3.75Å; L7-F196 HydrophobicContact CD1-CE1 4.46Å; L7-P386 HydrophobicContact CB-CB 4.06Å
8C87.1Confident78Confident13 Ų1346.2 Ų46.29%0.08825%0.251CS..Hα-helixtrans-59.5-44174.7-68.60000112.6W4 N5 V6 R12 P386W4-C8 PolarHBondContact O-N 2.86Å; W4-C8 PolarHBondContact O-SG 3.12Å; N5-C8 PolarHBondContact O-N 3.31Å; V6-C8 VanDerWaalsContact C-N 3.34Å; V6-C8 PolarHBondContact O-N 3.31Å; C8-R12 VanDerWaalsContact O-CG 3.3Å; C8-R12 WeakPolarHBondContact O-CG 3.48Å; C8-R12 PolarHBondContact O-N 3.07Å; C8-P386 VanDerWaalsContact SG-CA 3.51Å
9I85.2Confident76.6Confident85 Ų8552.5 Ų52.544%0.43628%0.279SS..Hα-helixtrans-69.9-48.4179.2-64.4165.9000109.9N5 V6 L7 N11 R12 L13 L33N5-I9 WeakPolarHBondContact O-CG1 3.4Å; N5-I9 PolarHBondContact O-N 2.92Å; V6-I9 PolarHBondContact O-N 3.24Å; V6-I9 VanDerWaalsContact O-N 3.14Å; L7-I9 PolarHBondContact O-N 3.11Å; I9-N11 PolarHBondContact O-N 2.99Å; I9-R12 PolarHBondContact O-N 3.2Å; I9-L13 HydrophobicContact CG2-CD1 3.75Å; I9-L13 HydrophobicContact CG2-CG 4.24Å; I9-L13 WeakPolarHBondContact O-CG 3.49Å; I9-L13 PolarHBondContact O-N 2.81Å; I9-L33 HydrophobicContact CG2-CD1 3.73Å
10T82.8Confident75.1Confident0 Ų054.8 Ų54.80%029%0.294CS..Hα-helixtrans-56.1-48.4-178.4-61.40000111.7V6 L7 R12 L13 Q14 Y30 Q170V6-T10 WeakPolarHBondContact O-CB 3.49Å; V6-T10 PolarHBondContact O-N 3.35Å; V6-T10 PolarHBondContact O-OG1 3.14Å; L7-T10 PolarHBondContact O-N 3.19Å; T10-R12 PolarHBondContact O-N 2.94Å; T10-L13 PolarHBondContact O-N 3.15Å; T10-Q14 WeakPolarHBondContact O-CB 3.27Å; T10-Q14 PolarHBondContact O-N 2.87Å; T10-Y30 HydrophobicContact CG2-CD2 4Å; T10-Y30 HydrophobicContact CG2-CE2 3.35Å; T10-Q170 HydrophobicContact CG2-CG 4.29Å
11N81.3Confident73.9Confident8 Ų859 Ų594%0.04332%0.322CS..Hα-helixtrans-70-32.2-179.9-80.6-45000113.4L7 I9 Q14 N15 R173 F196 P386L7-N11 PolarHBondContact O-N 3.37Å; L7-N11 PolarHBondContact O-ND2 3.05Å; I9-N11 PolarHBondContact O-N 2.99Å; N11-Q14 PolarHBondContact O-N 3.28Å; N11-N15 PolarHBondContact O-N 2.94Å; N11-R173 PolarHBondContact OD1-NH1 3.11Å; N11-F196 WeakPolarHBondContact ND2-CE2 3.35Å; N11-F196 WeakPolarHBondContact ND2-CZ 3.34Å; N11-P386 VanDerWaalsContact CB-O 3.29Å; N11-P386 WeakPolarHBondContact CB-O 3.34Å; N11-P386 PolarHBondContact ND2-O 3.06Å
12R78.1Confident73Confident93 Ų9357.1 Ų57.135%0.35132%0.315SS..Hα-helixtrans-67.9-43.9174.3-76.2178.3170.8-170-4.8112C8 I9 T10 Q14 N15 S16 G388C8-R12 VanDerWaalsContact O-CG 3.3Å; C8-R12 WeakPolarHBondContact O-CG 3.48Å; C8-R12 PolarHBondContact O-N 3.07Å; I9-R12 PolarHBondContact O-N 3.2Å; T10-R12 PolarHBondContact O-N 2.94Å; R12-Q14 VanDerWaalsContact C-N 3.31Å; R12-N15 PolarHBondContact O-N 3.07Å; R12-S16 PolarHBondContact O-N 3.29Å; R12-G388 PolarHBondContact NE-O 2.91Å; R12-G388 VanDerWaalsContact NE-O 3.12Å; R12-G388 PolarHBondContact NH2-O 3.37Å
13L75.1Confident72.1Confident45 Ų4554.1 Ų54.124%0.23630%0.303CS..Hα-helixtrans-61.8-42.2173.4-69.6174.1000110.4I9 T10 N15 S16 L17 I29 L33I9-L13 HydrophobicContact CG2-CD1 3.75Å; I9-L13 HydrophobicContact CG2-CG 4.24Å; I9-L13 WeakPolarHBondContact O-CG 3.49Å; I9-L13 PolarHBondContact O-N 2.81Å; T10-L13 PolarHBondContact O-N 3.15Å; L13-N15 PolarHBondContact O-N 3.34Å; L13-S16 CarbonylContact O-C 3.58Å; L13-S16 WeakPolarHBondContact O-CA 3.44Å; L13-S16 WeakPolarHBondContact O-CB 3.43Å; L13-S16 PolarHBondContact O-N 2.68Å; L13-S16 VanDerWaalsContact O-N 3.11Å; L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 WeakPolarHBondContact O-CD1 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 3.46Å; L13-I29 HydrophobicContact CD1-CG2 3.9Å; L13-L33 HydrophobicContact CD1-CD1 3.65Å
14Q71.4Confident71.3Confident21 Ų2159.4 Ų59.410%0.09833%0.331CS..Hα-helixtrans-61.8-43.2178.4-166173.2-0.400113.2T10 N11 R12 S16 L17 S18 Y30T10-Q14 WeakPolarHBondContact O-CB 3.27Å; T10-Q14 PolarHBondContact O-N 2.87Å; N11-Q14 PolarHBondContact O-N 3.28Å; R12-Q14 VanDerWaalsContact C-N 3.31Å; Q14-S16 PolarHBondContact O-N 3.18Å; Q14-L17 WeakPolarHBondContact O-CB 3.47Å; Q14-L17 PolarHBondContact O-N 3.39Å; Q14-L17 VanDerWaalsContact O-N 3.16Å; Q14-S18 PolarHBondContact O-N 2.9Å; Q14-S18 VanDerWaalsContact O-N 3.1Å; Q14-S18 PolarHBondContact O-OG 3.49Å; Q14-Y30 HydrophobicContact CB-CE2 4.08Å; Q14-Y30 PolarHBondContact OE1-OH 2.9Å; Q14-Y30 VanDerWaalsContact OE1-OH 3.13Å
15N64.4Low70.7Confident86 Ų8666.2 Ų66.246%0.4636%0.363SS..Hα-helixtrans-60.6-35.1174.5-72-19.2000112.3N11 R12 L13N11-N15 PolarHBondContact O-N 2.94Å; R12-N15 PolarHBondContact O-N 3.07Å; L13-N15 PolarHBondContact O-N 3.34Å
16S59.3Low70.1Confident67 Ų6767.1 Ų67.147%0.46937%0.367SS..Hα-helixtrans-71.3-39.7174.2-167.60000112.4R12 L13 Q14 S18 Q19 V20R12-S16 PolarHBondContact O-N 3.29Å; L13-S16 CarbonylContact O-C 3.58Å; L13-S16 WeakPolarHBondContact O-CA 3.44Å; L13-S16 WeakPolarHBondContact O-CB 3.43Å; L13-S16 PolarHBondContact O-N 2.68Å; L13-S16 VanDerWaalsContact O-N 3.11Å; Q14-S16 PolarHBondContact O-N 3.18Å; S16-S18 PolarHBondContact O-N 3.36Å; S16-Q19 PolarHBondContact O-N 3.46Å; S16-Q19 VanDerWaalsContact O-N 3.14Å; S16-V20 PolarHBondContact O-N 2.92Å
17L59.1Low69.5Low41 Ų4171.8 Ų71.822%0.21539%0.386CS..Hα-helixtrans-62.7-30178.6-73.3161.3000112.3L13 Q14 V22 D26 Y30L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 WeakPolarHBondContact O-CD1 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 3.46Å; Q14-L17 WeakPolarHBondContact O-CB 3.47Å; Q14-L17 PolarHBondContact O-N 3.39Å; Q14-L17 VanDerWaalsContact O-N 3.16Å; L17-V22 HydrophobicContact CB-CG2 4.29Å; L17-V22 HydrophobicContact CD2-CB 3.91Å; L17-V22 HydrophobicContact CD2-CG1 3.16Å; L17-V22 HydrophobicContact CD2-CG2 3.48Å; L17-V22 VanDerWaalsContact CD2-CG2 3.48Å; L17-V22 HydrophobicContact CG-CG2 4.5Å; L17-D26 HydrophobicContact CD2-CB 4.1Å; L17-Y30 HydrophobicContact CD1-CD1 4.49Å; L17-Y30 HydrophobicContact CD1-CD2 3.91Å; L17-Y30 HydrophobicContact CD1-CE2 4.36Å; L17-Y30 HydrophobicContact CD1-CG 4Å
18S57.6Low69.1Low95 Ų9576.7 Ų76.766%0.66441%0.41SS*.THydrogen-bonded Turntrans-77.9-17.8176.6-50.70000114.1Q14 S16Q14-S18 PolarHBondContact O-N 2.9Å; Q14-S18 VanDerWaalsContact O-N 3.1Å; Q14-S18 PolarHBondContact O-OG 3.49Å; S16-S18 PolarHBondContact O-N 3.36Å
19Q52.5Low68.9Low167 Ų16779.8 Ų79.878%0.7843%0.425SS*.THydrogen-bonded Turntrans-113.1-15.5-170.5-68.8-174.3-11.300114.5S16S16-Q19 PolarHBondContact O-N 3.46Å; S16-Q19 VanDerWaalsContact O-N 3.14Å
20V45.9Very low68.7Low97 Ų9776.2 Ų76.259%0.58841%0.406SS*.SBendtrans-138152.8-173.5-174.30000111.8S16 V22S16-V20 PolarHBondContact O-N 2.92Å; V20-V22 WeakPolarHBondContact O-CG2 3.42Å; V20-V22 PolarHBondContact O-N 2.96Å; V20-V22 VanDerWaalsContact O-N 3.11Å
21V49.5Very low68.7Low144 Ų14478.7 Ų78.787%0.87342%0.423SS*.  trans-56.4114.4169.9178.40000109.5
22V58.2Low68.9Low38 Ų3886.4 Ų86.423%0.2345%0.452CS..  trans-75.9124.2-170.8178.70000111.6L17 V20 D26 K27L17-V22 HydrophobicContact CB-CG2 4.29Å; L17-V22 HydrophobicContact CD2-CB 3.91Å; L17-V22 HydrophobicContact CD2-CG1 3.16Å; L17-V22 HydrophobicContact CD2-CG2 3.48Å; L17-V22 VanDerWaalsContact CD2-CG2 3.48Å; L17-V22 HydrophobicContact CG-CG2 4.5Å; V20-V22 WeakPolarHBondContact O-CG2 3.42Å; V20-V22 PolarHBondContact O-N 2.96Å; V20-V22 VanDerWaalsContact O-N 3.11Å; V22-D26 HydrophobicContact CG1-CB 4.11Å; V22-K27 HydrophobicContact CG1-CD 4.08Å; V22-K27 HydrophobicContact CG1-CG 3.48Å; V22-K27 VanDerWaalsContact CG1-CG 3.48Å
23S65.8Low69.4Low51 Ų5183.5 Ų83.536%0.35744%0.443SS..  trans-67.5148.9169.878.30000110.7E25 D26 K27S23-E25 PolarHBondContact O-N 3.28Å; S23-D26 WeakPolarHBondContact CB-OD2 3.17Å; S23-D26 PolarHBondContact N-OD2 2.66Å; S23-D26 PolarHBondContact O-N 3.17Å; S23-D26 VanDerWaalsContact O-N 3.16Å; S23-D26 PolarHBondContact OG-N 2.9Å; S23-D26 VanDerWaalsContact OG-N 3.12Å; S23-D26 PolarHBondContact OG-OD2 3.3Å; S23-K27 PolarHBondContact O-N 2.94Å
24N71.7Confident69.9Low134 Ų13481.5 Ų81.572%0.71743%0.433SS*.Hα-helixtrans-61.2-25.8175.7-78.3-22.3000112.2M28N24-M28 PolarHBondContact O-N 3.43Å
25E77.4Confident70.5Confident146 Ų14685.4 Ų85.468%0.68245%0.451SS*.Hα-helixtrans-67-42.9175.1-62.9-174.316700111.8S23 K27 M28 I29S23-E25 PolarHBondContact O-N 3.28Å; E25-K27 VanDerWaalsContact C-N 3.33Å; E25-K27 PolarHBondContact O-N 3.22Å; E25-M28 WeakPolarHBondContact O-CB 3.36Å; E25-M28 PolarHBondContact O-N 3.12Å; E25-M28 VanDerWaalsContact O-N 3.11Å; E25-I29 WeakPolarHBondContact O-CG1 3.31Å; E25-I29 PolarHBondContact O-N 3.42Å
26D73.8Confident71.6Confident58 Ų5882.9 Ų82.931%0.3144%0.442SS..Hα-helixtrans-62.8-38.7178.5-65.2-44.5000112.2L17 V22 S23 M28 I29 Y30L17-D26 HydrophobicContact CD2-CB 4.1Å; V22-D26 HydrophobicContact CG1-CB 4.11Å; S23-D26 WeakPolarHBondContact CB-OD2 3.17Å; S23-D26 PolarHBondContact N-OD2 2.66Å; S23-D26 PolarHBondContact O-N 3.17Å; S23-D26 VanDerWaalsContact O-N 3.16Å; S23-D26 PolarHBondContact OG-N 2.9Å; S23-D26 VanDerWaalsContact OG-N 3.12Å; S23-D26 PolarHBondContact OG-OD2 3.3Å; D26-M28 VanDerWaalsContact C-N 3.33Å; D26-I29 PolarHBondContact O-N 2.98Å; D26-Y30 VanDerWaalsContact O-CB 3.23Å; D26-Y30 WeakPolarHBondContact O-CB 3.23Å; D26-Y30 PolarHBondContact O-N 2.99Å
27K74.3Confident72.9Confident119 Ų11979.7 Ų79.752%0.51742%0.42SS..Hα-helixtrans-63.7-40.6174.3-67.4178.4-176.7167.10111.6V22 S23 E25 Y30 S31V22-K27 HydrophobicContact CG1-CD 4.08Å; V22-K27 HydrophobicContact CG1-CG 3.48Å; V22-K27 VanDerWaalsContact CG1-CG 3.48Å; S23-K27 PolarHBondContact O-N 2.94Å; E25-K27 VanDerWaalsContact C-N 3.33Å; E25-K27 PolarHBondContact O-N 3.22Å; K27-Y30 PolarHBondContact O-N 3.07Å; K27-S31 WeakPolarHBondContact O-CB 3.27Å; K27-S31 PolarHBondContact O-N 2.84Å
28M81.4Confident74Confident102 Ų10280.6 Ų80.650%0.50243%0.427SS..Hα-helixtrans-68.1-42.3178.8-176.4173.5173.300111.6N24 E25 D26 S31 R32N24-M28 PolarHBondContact O-N 3.43Å; E25-M28 WeakPolarHBondContact O-CB 3.36Å; E25-M28 PolarHBondContact O-N 3.12Å; E25-M28 VanDerWaalsContact O-N 3.11Å; D26-M28 VanDerWaalsContact C-N 3.33Å; M28-S31 PolarHBondContact O-N 3.06Å; M28-R32 VanDerWaalsContact CE-CZ 3.42Å; M28-R32 WeakPolarHBondContact O-CG 3.14Å; M28-R32 PolarHBondContact O-N 3.01Å
29I83Confident75.3Confident79 Ų7980.3 Ų80.341%0.40542%0.415SS..Hα-helixtrans-61.6-48173.9-67.8166.1000109.9L13 E25 D26 S31 R32 L33L13-I29 HydrophobicContact CD1-CG2 3.9Å; E25-I29 WeakPolarHBondContact O-CG1 3.31Å; E25-I29 PolarHBondContact O-N 3.42Å; D26-I29 PolarHBondContact O-N 2.98Å; I29-S31 VanDerWaalsContact C-N 3.34Å; I29-S31 PolarHBondContact O-N 3.21Å; I29-R32 PolarHBondContact O-N 3.28Å; I29-L33 HydrophobicContact CG2-CD1 3.91Å; I29-L33 HydrophobicContact CG2-CG 4.31Å; I29-L33 WeakPolarHBondContact O-CG 3.5Å; I29-L33 PolarHBondContact O-N 3Å
30Y80.3Confident76.8Confident10 Ų1074.6 Ų74.64%0.03939%0.39CS..Hα-helixtrans-60.5-41.4179.5-171-107.5000112.5T10 Q14 L17 D26 K27 L33 N34 Q170 Y174 V178T10-Y30 HydrophobicContact CG2-CD2 4Å; T10-Y30 HydrophobicContact CG2-CE2 3.35Å; Q14-Y30 HydrophobicContact CB-CE2 4.08Å; Q14-Y30 PolarHBondContact OE1-OH 2.9Å; Q14-Y30 VanDerWaalsContact OE1-OH 3.13Å; L17-Y30 HydrophobicContact CD1-CD1 4.49Å; L17-Y30 HydrophobicContact CD1-CD2 3.91Å; L17-Y30 HydrophobicContact CD1-CE2 4.36Å; L17-Y30 HydrophobicContact CD1-CG 4Å; D26-Y30 VanDerWaalsContact O-CB 3.23Å; D26-Y30 WeakPolarHBondContact O-CB 3.23Å; D26-Y30 PolarHBondContact O-N 2.99Å; K27-Y30 PolarHBondContact O-N 3.07Å; Y30-L33 PolarHBondContact O-N 3.4Å; Y30-N34 PolarHBondContact O-N 2.92Å; Y30-N34 VanDerWaalsContact O-N 3.15Å; Y30-N34 PolarHBondContact O-ND2 3.35Å; Y30-Q170 PolarHBondContact OH-NE2 3.45Å; Y30-Y174 HydrophobicContact CD1-CD2 4Å; Y30-Y174 AromaticContact CD1-CE2 3.71Å; Y30-Y174 HydrophobicContact CD1-CE2 3.71Å; Y30-Y174 AromaticContact CE1-CD2 3.48Å; Y30-Y174 HydrophobicContact CE1-CD2 3.48Å; Y30-Y174 VanDerWaalsContact CE1-CD2 3.48Å; Y30-Y174 AromaticContact CE1-CE2 3.67Å; Y30-Y174 HydrophobicContact CE1-CE2 3.67Å; Y30-V178 HydrophobicContact CE1-CG2 4.02Å
31S81.8Confident78.4Confident51 Ų5170.8 Ų70.836%0.35737%0.366SS..Hα-helixtrans-63.1-46174.1-178.10000112.2K27 M28 I29 L33 N34 Q35 Y174K27-S31 WeakPolarHBondContact O-CB 3.27Å; K27-S31 PolarHBondContact O-N 2.84Å; M28-S31 PolarHBondContact O-N 3.06Å; I29-S31 VanDerWaalsContact C-N 3.34Å; I29-S31 PolarHBondContact O-N 3.21Å; S31-L33 VanDerWaalsContact C-N 3.35Å; S31-L33 PolarHBondContact O-N 2.8Å; S31-N34 PolarHBondContact O-N 2.91Å; S31-Q35 PolarHBondContact O-N 3.25Å; S31-Y174 WeakPolarHBondContact CB-OH 3.48Å; S31-Y174 PolarHBondContact OG-OH 3.08Å
32R87.4Confident79.8Confident170 Ų17069.8 Ų69.864%0.64236%0.356SS*.Hα-helixtrans-61.6-39.8177.1-75.7177.7171.7-169.4-5112.9M28 I29 Q35 A36M28-R32 VanDerWaalsContact CE-CZ 3.42Å; M28-R32 WeakPolarHBondContact O-CG 3.14Å; M28-R32 PolarHBondContact O-N 3.01Å; I29-R32 PolarHBondContact O-N 3.28Å; R32-Q35 PolarHBondContact O-N 3.47Å; R32-A36 WeakPolarHBondContact O-CB 2.95Å; R32-A36 PolarHBondContact O-N 3.42Å
33L87.4Confident80.7Confident32 Ų3277.1 Ų77.117%0.16838%0.381CS..Hα-helixtrans-65.1-41177.2-70.3171.8000111.7V6 I9 L13 I29 Y30 S31 A36 L37V6-L33 HydrophobicContact CG1-CB 4.09Å; V6-L33 HydrophobicContact CG1-CD2 4.1Å; I9-L33 HydrophobicContact CG2-CD1 3.73Å; L13-L33 HydrophobicContact CD1-CD1 3.65Å; I29-L33 HydrophobicContact CG2-CD1 3.91Å; I29-L33 HydrophobicContact CG2-CG 4.31Å; I29-L33 WeakPolarHBondContact O-CG 3.5Å; I29-L33 PolarHBondContact O-N 3Å; Y30-L33 PolarHBondContact O-N 3.4Å; S31-L33 VanDerWaalsContact C-N 3.35Å; S31-L33 PolarHBondContact O-N 2.8Å; L33-A36 PolarHBondContact O-N 2.75Å; L33-L37 PolarHBondContact O-N 3.43Å
34N85Confident80.9Confident3 Ų375.5 Ų75.52%0.01637%0.37CS..Hα-helixtrans-67.8-39.7175.5-76.6-73.1000111.9Y30 S31 A36 L37 V38 Y174Y30-N34 PolarHBondContact O-N 2.92Å; Y30-N34 VanDerWaalsContact O-N 3.15Å; Y30-N34 PolarHBondContact O-ND2 3.35Å; S31-N34 PolarHBondContact O-N 2.91Å; N34-A36 VanDerWaalsContact C-N 3.31Å; N34-A36 PolarHBondContact O-N 3.13Å; N34-L37 WeakPolarHBondContact O-CB 3.33Å; N34-L37 PolarHBondContact O-N 3.39Å; N34-L37 VanDerWaalsContact O-N 3.13Å; N34-V38 WeakPolarHBondContact O-CG2 3.37Å; N34-V38 PolarHBondContact O-N 2.86Å; N34-Y174 HydrophobicContact CB-CD1 3.99Å; N34-Y174 HydrophobicContact CB-CD2 4.12Å; N34-Y174 HydrophobicContact CB-CE1 4.26Å; N34-Y174 HydrophobicContact CB-CE2 4.41Å; N34-Y174 HydrophobicContact CB-CG 3.91Å; N34-Y174 VanDerWaalsContact ND2-CD2 3.33Å; N34-Y174 WeakPolarHBondContact ND2-CD2 3.42Å
35Q85.4Confident80.4Confident104 Ų10478.6 Ų78.649%0.48637%0.372SS..Hα-helixtrans-59-43172.7-177.460.229.300111.7S31 R32 L37 V38 E39S31-Q35 PolarHBondContact O-N 3.25Å; R32-Q35 PolarHBondContact O-N 3.47Å; Q35-L37 VanDerWaalsContact C-N 3.32Å; Q35-L37 PolarHBondContact O-N 3.04Å; Q35-V38 WeakPolarHBondContact O-CB 3.43Å; Q35-V38 PolarHBondContact O-N 3.14Å; Q35-E39 PolarHBondContact O-N 2.91Å
36A87.5Confident79.3Confident32 Ų3279.5 Ų79.526%0.26438%0.381SS..Hα-helixtrans-62.8-36.7175.500000112.4R32 L33 N34 E39 L40R32-A36 WeakPolarHBondContact O-CB 2.95Å; R32-A36 PolarHBondContact O-N 3.42Å; L33-A36 PolarHBondContact O-N 2.75Å; N34-A36 VanDerWaalsContact C-N 3.31Å; N34-A36 PolarHBondContact O-N 3.13Å; A36-E39 PolarHBondContact O-N 3.38Å; A36-L40 WeakPolarHBondContact O-CB 3.25Å; A36-L40 WeakPolarHBondContact O-CG 3.21Å; A36-L40 PolarHBondContact O-N 3.36Å
37L86.3Confident78.5Confident1 Ų185 Ų851%0.00540%0.402CS..Hα-helixtrans-62.7-42.1173.3-71.7174000111.7T3 V6 L7 L33 N34 Q35 L40 V41 A167 Q170T3-L37 HydrophobicContact CG2-CD2 4.03Å; V6-L37 HydrophobicContact CB-CD2 3.83Å; V6-L37 HydrophobicContact CB-CG 4.34Å; V6-L37 HydrophobicContact CG1-CD1 4.05Å; V6-L37 HydrophobicContact CG1-CD2 3.61Å; V6-L37 HydrophobicContact CG1-CG 3.55Å; L7-L37 HydrophobicContact CD2-CD1 3.83Å; L7-L37 HydrophobicContact CD2-CD2 4.35Å; L7-L37 HydrophobicContact CG-CD1 4.49Å; L7-L37 HydrophobicContact CG-CD2 4.2Å; L33-L37 PolarHBondContact O-N 3.43Å; N34-L37 WeakPolarHBondContact O-CB 3.33Å; N34-L37 PolarHBondContact O-N 3.39Å; N34-L37 VanDerWaalsContact O-N 3.13Å; Q35-L37 VanDerWaalsContact C-N 3.32Å; Q35-L37 PolarHBondContact O-N 3.04Å; L37-L40 PolarHBondContact O-N 3.03Å; L37-V41 WeakPolarHBondContact O-CG2 3.47Å; L37-V41 PolarHBondContact O-N 3.4Å; L37-A167 HydrophobicContact CD2-CB 4.3Å; L37-Q170 HydrophobicContact CD1-CB 4.15Å; L37-Q170 HydrophobicContact CD1-CG 3.77Å
38V82.4Confident77.9Confident59 Ų5980.6 Ų80.636%0.35839%0.385SS..Hα-helixtrans-62.1-46.9176.91740000110.7N34 Q35 L40 V41 N42N34-V38 WeakPolarHBondContact O-CG2 3.37Å; N34-V38 PolarHBondContact O-N 2.86Å; Q35-V38 WeakPolarHBondContact O-CB 3.43Å; Q35-V38 PolarHBondContact O-N 3.14Å; V38-L40 PolarHBondContact O-N 3.23Å; V38-V41 PolarHBondContact O-N 3Å; V38-N42 VanDerWaalsContact O-CG 3.26Å; V38-N42 PolarHBondContact O-N 3.36Å; V38-N42 PolarHBondContact O-ND2 2.99Å
39E84.3Confident77Confident90 Ų9077.4 Ų77.442%0.42137%0.371SS..Hα-helixtrans-58.5-46.5175.4-72.5174.5-164.400111.6Q35 A36 V41 N42 Y43Q35-E39 PolarHBondContact O-N 2.91Å; A36-E39 PolarHBondContact O-N 3.38Å; E39-V41 VanDerWaalsContact C-N 3.3Å; E39-V41 PolarHBondContact O-N 2.95Å; E39-N42 PolarHBondContact O-N 3.27Å; E39-N42 VanDerWaalsContact O-N 3.08Å; E39-Y43 HydrophobicContact CB-CD2 4.47Å; E39-Y43 HydrophobicContact CB-CE2 4.24Å; E39-Y43 WeakPolarHBondContact O-CD2 3.24Å; E39-Y43 PolarHBondContact O-N 3.32Å
40L83.9Confident75.8Confident47 Ų4775.1 Ų75.125%0.24636%0.358CS..Hα-helixtrans-61.6-35.9177.8-73.5170.3000113L2 A36 L37 V38 Y43 S44L2-L40 HydrophobicContact CB-CD1 3.99Å; L2-L40 HydrophobicContact CB-CD2 4.22Å; L2-L40 HydrophobicContact CD1-CD2 4.16Å; A36-L40 WeakPolarHBondContact O-CB 3.25Å; A36-L40 WeakPolarHBondContact O-CG 3.21Å; A36-L40 PolarHBondContact O-N 3.36Å; L37-L40 PolarHBondContact O-N 3.03Å; V38-L40 PolarHBondContact O-N 3.23Å; L40-Y43 PolarHBondContact O-N 2.85Å; L40-S44 PolarHBondContact O-N 2.95Å
41V79.6Confident74.6Confident16 Ų1675.8 Ų75.810%0.09736%0.364CS..Hα-helixtrans-68.7-39.5173.5171.40000110.7L37 V38 E39 Y43 S44 A167 R168L37-V41 WeakPolarHBondContact O-CG2 3.47Å; L37-V41 PolarHBondContact O-N 3.4Å; V38-V41 PolarHBondContact O-N 3Å; E39-V41 VanDerWaalsContact C-N 3.3Å; E39-V41 PolarHBondContact O-N 2.95Å; V41-Y43 VanDerWaalsContact C-N 3.27Å; V41-Y43 PolarHBondContact O-N 3.07Å; V41-S44 VanDerWaalsContact O-CB 3.26Å; V41-S44 WeakPolarHBondContact O-CB 3.42Å; V41-S44 PolarHBondContact O-N 2.89Å; V41-S44 PolarHBondContact O-OG 3.06Å; V41-A167 HydrophobicContact CG2-CB 3.4Å; V41-R168 HydrophobicContact CG1-CG 3.79Å; V41-R168 HydrophobicContact CG2-CG 4.16Å
42N78Confident72.9Confident123 Ų12377.7 Ų77.766%0.65838%0.377SS*.Hα-helixtrans-68.5-27.9177.2-66.3-21.5000112.6V38 E39 S44V38-N42 VanDerWaalsContact O-CG 3.26Å; V38-N42 PolarHBondContact O-N 3.36Å; V38-N42 PolarHBondContact O-ND2 2.99Å; E39-N42 PolarHBondContact O-N 3.27Å; E39-N42 VanDerWaalsContact O-N 3.08Å; N42-S44 VanDerWaalsContact C-N 3.3Å
43Y77.4Confident71.2Confident192 Ų19275.7 Ų75.775%0.75338%0.384SS*.THydrogen-bonded Turntrans-78.4-11.7170.6-72.1-61.2000113.8E39 L40 V41E39-Y43 HydrophobicContact CB-CD2 4.47Å; E39-Y43 HydrophobicContact CB-CE2 4.24Å; E39-Y43 WeakPolarHBondContact O-CD2 3.24Å; E39-Y43 PolarHBondContact O-N 3.32Å; L40-Y43 PolarHBondContact O-N 2.85Å; V41-Y43 VanDerWaalsContact C-N 3.27Å; V41-Y43 PolarHBondContact O-N 3.07Å
44S71Confident69.7Low18 Ų1876.4 Ų76.413%0.12639%0.388CS..SBendtrans-68.4133.6175.277.10000109.2L40 V41 N42 Y160L40-S44 PolarHBondContact O-N 2.95Å; V41-S44 VanDerWaalsContact O-CB 3.26Å; V41-S44 WeakPolarHBondContact O-CB 3.42Å; V41-S44 PolarHBondContact O-N 2.89Å; V41-S44 PolarHBondContact O-OG 3.06Å; N42-S44 VanDerWaalsContact C-N 3.3Å; S44-Y160 WeakPolarHBondContact CA-OH 3.42Å; S44-Y160 VanDerWaalsContact CB-OH 3.29Å; S44-Y160 WeakPolarHBondContact CB-OH 3.19Å
45R60.9Low68.3Low199 Ų19981.7 Ų81.775%0.75141%0.413SS*.  trans-54.7145179.2-66.9-179.1179.2-177.5-1.8110.2F47R45-F47 WeakPolarHBondContact CB-O 3.26Å; R45-F47 CarbonylContact O-C 3.52Å; R45-F47 PolarHBondContact O-N 2.89Å
46D53.7Low67Low165 Ų16585.2 Ų85.288%0.88243%0.432SS*.SBendtrans-52.7-24.9175.2-68.3-39.9000112.8
47F57.4Low66.4Low172 Ų17285.8 Ų85.875%0.75443%0.43SS*.SBendtrans-109.9124.4172.1-59.5-81.8000110.7R45R45-F47 WeakPolarHBondContact CB-O 3.26Å; R45-F47 CarbonylContact O-C 3.52Å; R45-F47 PolarHBondContact O-N 2.89Å
48L61.5Low66.1Low28 Ų2890.6 Ų90.615%0.14746%0.462CS..  trans-54133.2168.7-74.2168.1000109.1F50 M67 Y160 V161 V164L48-F50 HydrophobicContact CB-CD2 3.49Å; L48-F50 VanDerWaalsContact CB-CD2 3.49Å; L48-F50 HydrophobicContact CB-CE2 3.27Å; L48-F50 HydrophobicContact CB-CG 4.49Å; L48-F50 HydrophobicContact CB-CZ 4.13Å; L48-F50 HydrophobicContact CD1-CE2 3.58Å; L48-F50 HydrophobicContact CD1-CZ 3.98Å; L48-F50 HydrophobicContact CG-CE2 4.06Å; L48-F50 WeakPolarHBondContact O-CD2 3.48Å; L48-F50 PolarHBondContact O-N 2.77Å; L48-M67 HydrophobicContact CD1-CB 4.42Å; L48-Y160 HydrophobicContact CD2-CE1 4.3Å; L48-V161 HydrophobicContact CD1-CG1 4.44Å; L48-V161 HydrophobicContact CD2-CG2 4.48Å; L48-V164 HydrophobicContact CD2-CB 4.1Å; L48-V164 HydrophobicContact CD2-CG1 4.39Å; L48-V164 HydrophobicContact CD2-CG2 3.94Å
49P61.6Low66Low35 Ų3591.1 Ų91.123%0.22746%0.46CS..  trans-73.773.2-177.832.5-35.5000109.4Y160P49-Y160 HydrophobicContact CG-CD1 3.16Å; P49-Y160 HydrophobicContact CG-CD2 4.3Å; P49-Y160 HydrophobicContact CG-CE1 3.39Å; P49-Y160 HydrophobicContact CG-CE2 4.44Å; P49-Y160 HydrophobicContact CG-CG 3.67Å
50F58.6Low65.8Low30 Ų3087 Ų8713%0.13244%0.44CS..  trans-76.8119167.8-79.9-59.8000105.8L48 S52 Y60 R64 M67 V161L48-F50 HydrophobicContact CB-CD2 3.49Å; L48-F50 VanDerWaalsContact CB-CD2 3.49Å; L48-F50 HydrophobicContact CB-CE2 3.27Å; L48-F50 HydrophobicContact CB-CG 4.49Å; L48-F50 HydrophobicContact CB-CZ 4.13Å; L48-F50 HydrophobicContact CD1-CE2 3.58Å; L48-F50 HydrophobicContact CD1-CZ 3.98Å; L48-F50 HydrophobicContact CG-CE2 4.06Å; L48-F50 WeakPolarHBondContact O-CD2 3.48Å; L48-F50 PolarHBondContact O-N 2.77Å; F50-S52 PolarHBondContact O-N 3.25Å; F50-Y60 WeakPolarHBondContact CA-OH 3.47Å; F50-Y60 HydrophobicContact CB-CE1 4.08Å; F50-Y60 HydrophobicContact CB-CE2 4.35Å; F50-Y60 WeakPolarHBondContact CB-OH 3.47Å; F50-Y60 AromaticContact CD1-CE2 3.75Å; F50-Y60 HydrophobicContact CD1-CE2 3.75Å; F50-Y60 AromaticContact CD1-CZ 3.8Å; F50-Y60 HydrophobicContact CG-CE2 4.45Å; F50-R64 HydrophobicContact CD2-CB 4.25Å; F50-R64 HydrophobicContact CD2-CG 3.76Å; F50-R64 HydrophobicContact CE2-CB 3.99Å; F50-R64 HydrophobicContact CE2-CG 3.63Å; F50-R64 HydrophobicContact CZ-CB 4.19Å; F50-R64 HydrophobicContact CZ-CG 4.32Å; F50-M67 HydrophobicContact CZ-CB 4.49Å; F50-V161 HydrophobicContact CD1-CG2 4.36Å; F50-V161 HydrophobicContact CE1-CG1 4.42Å; F50-V161 HydrophobicContact CE1-CG2 3.82Å; F50-V161 HydrophobicContact CZ-CG1 4.12Å; F50-V161 HydrophobicContact CZ-CG2 3.96Å
51P55.5Low65.7Low25 Ų2586.6 Ų86.616%0.16244%0.44CS..  trans-48.2125.4173.917.6-29.7000112.9T53 N54 Y60P51-T53 PolarHBondContact O-N 3.35Å; P51-N54 PolarHBondContact O-N 3.41Å; P51-Y60 WeakPolarHBondContact CD-OH 3.42Å; P51-Y60 HydrophobicContact CG-CE2 4.32Å; P51-Y60 WeakPolarHBondContact CG-OH 3.43Å; P51-Y60 PolarHBondContact O-OH 3.15Å
52S46.9Very low66.1Low90 Ų9090.3 Ų90.363%0.62946%0.458SS*.G310 helixtrans-71.4-13.8-17628.80000114.2F50 N54F50-S52 PolarHBondContact O-N 3.25Å; S52-N54 PolarHBondContact O-N 3.31Å
53T50.9Low66.5Low128 Ų12884.5 Ų84.579%0.78543%0.427SS*.G310 helixtrans-67.4-15.8174.545.40000113.6P51P51-T53 PolarHBondContact O-N 3.35Å
54N55.2Low67Low48 Ų4879.3 Ų79.326%0.25741%0.406SS..G310 helixtrans-114.616.2-174.5-6916.2000113.4P51 S52 M56 D57 Y60P51-N54 PolarHBondContact O-N 3.41Å; S52-N54 PolarHBondContact O-N 3.31Å; N54-M56 PolarHBondContact O-N 2.94Å; N54-D57 HydrophobicContact CB-CB 4.38Å; N54-D57 WeakPolarHBondContact O-CB 3.22Å; N54-D57 PolarHBondContact O-N 3.34Å; N54-Y60 HydrophobicContact CB-CD1 4.11Å; N54-Y60 HydrophobicContact CB-CD2 4.4Å; N54-Y60 HydrophobicContact CB-CE1 4.18Å; N54-Y60 HydrophobicContact CB-CE2 4.47Å; N54-Y60 HydrophobicContact CB-CG 4.13Å; N54-Y60 WeakPolarHBondContact O-CD1 3.35Å
55E55.8Low67.7Low113 Ų11382.2 Ų82.253%0.52842%0.419SS..THydrogen-bonded Turntrans-60.3-20.7-178.2-74.3-176.8179.100114.2
56M59.2Low69.1Low179 Ų17976.1 Ų76.188%0.88240%0.399SS*.THydrogen-bonded Turntrans-94.5-2.5177.4-60.4-65.3157.200113.7N54 P58N54-M56 PolarHBondContact O-N 2.94Å; M56-P58 WeakPolarHBondContact O-CD 3.3Å
57D74.3Confident70.8Confident44 Ų4468.4 Ų68.424%0.23536%0.357CS..  trans-80.2116.4177.4178.8-2.8000110.1N54 E59 Y60 V61N54-D57 HydrophobicContact CB-CB 4.38Å; N54-D57 WeakPolarHBondContact O-CB 3.22Å; N54-D57 PolarHBondContact O-N 3.34Å; D57-E59 VanDerWaalsContact C-N 3.32Å; D57-E59 PolarHBondContact O-N 3.13Å; D57-E59 PolarHBondContact OD1-N 2.9Å; D57-Y60 VanDerWaalsContact O-CB 3.32Å; D57-Y60 WeakPolarHBondContact O-CB 3.46Å; D57-Y60 PolarHBondContact O-N 3.32Å; D57-Y60 VanDerWaalsContact O-N 3.15Å; D57-V61 PolarHBondContact O-N 3.08Å
58P80.6Confident72.3Confident102 Ų10263.5 Ų63.566%0.66234%0.339SS*.Hα-helixtrans-63.6-32.7-17823.6-32000113.5M56 Y60 M62M56-P58 WeakPolarHBondContact O-CD 3.3Å; P58-Y60 PolarHBondContact O-N 3.19Å; P58-M62 WeakPolarHBondContact O-CB 3.48Å; P58-M62 PolarHBondContact O-N 2.55Å
59E80.4Confident73.7Confident69 Ų6967.8 Ų67.832%0.32236%0.358SS..Hα-helixtrans-67.2-33.8177-71.7-177.7175.200111.2D57 L63 F117 K120D57-E59 VanDerWaalsContact C-N 3.32Å; D57-E59 PolarHBondContact O-N 3.13Å; D57-E59 PolarHBondContact OD1-N 2.9Å; E59-L63 PolarHBondContact O-N 3.37Å; E59-F117 HydrophobicContact CB-CD2 4.25Å; E59-K120 IonicContact OE1-NZ 3.68Å; E59-K120 PolarHBondContact OE1-NZ 3.2Å; E59-K120 WeakPolarHBondContact OE2-CD 3.3Å; E59-K120 IonicContact OE2-NZ 3.64Å; E59-K120 PolarHBondContact OE2-NZ 3.25Å
60Y79.4Confident75.1Confident3 Ų366.2 Ų66.21%0.01235%0.348CS..Hα-helixtrans-73.4-45179.6-179-104.9000112.8F50 P51 N54 D57 P58 M62 L63 R64 F117 M158F50-Y60 WeakPolarHBondContact CA-OH 3.47Å; F50-Y60 HydrophobicContact CB-CE1 4.08Å; F50-Y60 HydrophobicContact CB-CE2 4.35Å; F50-Y60 WeakPolarHBondContact CB-OH 3.47Å; F50-Y60 AromaticContact CD1-CE2 3.75Å; F50-Y60 HydrophobicContact CD1-CE2 3.75Å; F50-Y60 AromaticContact CD1-CZ 3.8Å; F50-Y60 HydrophobicContact CG-CE2 4.45Å; P51-Y60 WeakPolarHBondContact CD-OH 3.42Å; P51-Y60 HydrophobicContact CG-CE2 4.32Å; P51-Y60 WeakPolarHBondContact CG-OH 3.43Å; P51-Y60 PolarHBondContact O-OH 3.15Å; N54-Y60 HydrophobicContact CB-CD1 4.11Å; N54-Y60 HydrophobicContact CB-CD2 4.4Å; N54-Y60 HydrophobicContact CB-CE1 4.18Å; N54-Y60 HydrophobicContact CB-CE2 4.47Å; N54-Y60 HydrophobicContact CB-CG 4.13Å; N54-Y60 WeakPolarHBondContact O-CD1 3.35Å; D57-Y60 VanDerWaalsContact O-CB 3.32Å; D57-Y60 WeakPolarHBondContact O-CB 3.46Å; D57-Y60 PolarHBondContact O-N 3.32Å; D57-Y60 VanDerWaalsContact O-N 3.15Å; P58-Y60 PolarHBondContact O-N 3.19Å; Y60-M62 VanDerWaalsContact C-N 3.29Å; Y60-M62 PolarHBondContact O-N 3.04Å; Y60-L63 PolarHBondContact O-N 2.98Å; Y60-R64 PolarHBondContact O-N 3.1Å; Y60-F117 HydrophobicContact CD2-CE1 4.28Å; Y60-F117 HydrophobicContact CD2-CE2 4.06Å; Y60-F117 AromaticContact CD2-CZ 3.57Å; Y60-F117 HydrophobicContact CD2-CZ 3.57Å; Y60-F117 HydrophobicContact CE2-CZ 4.36Å; Y60-F117 HydrophobicContact CG-CZ 4.46Å; Y60-M158 HydrophobicContact CE2-CE 4.41Å
61V82.5Confident76.5Confident40 Ų4065.7 Ų65.724%0.24235%0.346CS..Hα-helixtrans-58.2-45.9172.5172.60000110.1D57 L63 R64 D65D57-V61 PolarHBondContact O-N 3.08Å; V61-L63 VanDerWaalsContact C-N 3.32Å; V61-L63 PolarHBondContact O-N 3.1Å; V61-R64 PolarHBondContact O-N 2.97Å; V61-D65 WeakPolarHBondContact O-CB 3.26Å; V61-D65 PolarHBondContact O-N 3.42Å
62M86.3Confident78.1Confident94 Ų9471.6 Ų71.646%0.46337%0.373SS..Hα-helixtrans-60-39.8177.4-168.917966.500112.3P58 Y60 K66 Q113P58-M62 WeakPolarHBondContact O-CB 3.48Å; P58-M62 PolarHBondContact O-N 2.55Å; Y60-M62 VanDerWaalsContact C-N 3.29Å; Y60-M62 PolarHBondContact O-N 3.04Å; M62-K66 WeakPolarHBondContact O-CG 3.15Å; M62-K66 PolarHBondContact O-N 3.27Å; M62-K66 VanDerWaalsContact O-N 3.11Å; M62-Q113 VanDerWaalsContact C-NE2 3.28Å; M62-Q113 HydrophobicContact CE-CG 4.38Å
63L88.1Confident80.3Confident1 Ų169 Ų691%0.00536%0.356CS..Hα-helixtrans-67-45.5177.5174.961.9000111.4E59 Y60 V61 D65 K66 M67 Q113 Y114 F117E59-L63 PolarHBondContact O-N 3.37Å; Y60-L63 PolarHBondContact O-N 2.98Å; V61-L63 VanDerWaalsContact C-N 3.32Å; V61-L63 PolarHBondContact O-N 3.1Å; L63-D65 VanDerWaalsContact C-N 3.32Å; L63-D65 PolarHBondContact O-N 3.09Å; L63-K66 PolarHBondContact O-N 2.92Å; L63-M67 HydrophobicContact CD1-CE 4.37Å; L63-M67 HydrophobicContact CD1-CG 4.25Å; L63-M67 WeakPolarHBondContact O-CB 3.24Å; L63-M67 WeakPolarHBondContact O-CG 3.33Å; L63-M67 PolarHBondContact O-N 3.33Å; L63-Q113 VanDerWaalsContact CA-NE2 3.33Å; L63-Q113 HydrophobicContact CD1-CG 4.3Å; L63-Q113 VanDerWaalsContact N-NE2 3.11Å; L63-Y114 HydrophobicContact CD1-CD2 4.32Å; L63-Y114 HydrophobicContact CD2-CD2 4.21Å; L63-F117 HydrophobicContact CD2-CB 4.06Å; L63-F117 HydrophobicContact CD2-CD1 3.58Å; L63-F117 HydrophobicContact CD2-CD2 4.46Å; L63-F117 HydrophobicContact CD2-CE1 4.16Å; L63-F117 HydrophobicContact CD2-CG 3.77Å
64R86.3Confident82.1Confident83 Ų8363 Ų6331%0.31332%0.318SS..Hα-helixtrans-57.7-47.1177178.4-171.572.1-169.6-0.8111F50 Y60 V61 M67 N68F50-R64 HydrophobicContact CD2-CB 4.25Å; F50-R64 HydrophobicContact CD2-CG 3.76Å; F50-R64 HydrophobicContact CE2-CB 3.99Å; F50-R64 HydrophobicContact CE2-CG 3.63Å; F50-R64 HydrophobicContact CZ-CB 4.19Å; F50-R64 HydrophobicContact CZ-CG 4.32Å; Y60-R64 PolarHBondContact O-N 3.1Å; V61-R64 PolarHBondContact O-N 2.97Å; R64-M67 PolarHBondContact O-N 3.32Å; R64-N68 PolarHBondContact O-N 3.09Å; R64-N68 PolarHBondContact O-ND2 3.06Å
65D87.7Confident83.7Confident78 Ų7865 Ų6542%0.41733%0.326SS..Hα-helixtrans-67.2-40.3-176.4-64.4-9.8000111.1V61 L63 N68 Q69V61-D65 WeakPolarHBondContact O-CB 3.26Å; V61-D65 PolarHBondContact O-N 3.42Å; L63-D65 VanDerWaalsContact C-N 3.32Å; L63-D65 PolarHBondContact O-N 3.09Å; D65-N68 PolarHBondContact O-N 3.37Å; D65-Q69 WeakPolarHBondContact O-CB 3.31Å; D65-Q69 PolarHBondContact O-N 3.27Å
66K89.1Confident85.3Confident72 Ų7261.3 Ų61.331%0.31332%0.319SS..Hα-helixtrans-64.9-37.8171.9-74.8-155.1-167.5164.70113.6M62 L63 Q69 T70M62-K66 WeakPolarHBondContact O-CG 3.15Å; M62-K66 PolarHBondContact O-N 3.27Å; M62-K66 VanDerWaalsContact O-N 3.11Å; L63-K66 PolarHBondContact O-N 2.92Å; K66-Q69 PolarHBondContact O-N 2.78Å; K66-T70 WeakPolarHBondContact O-CB 3.21Å; K66-T70 PolarHBondContact O-N 3.21Å; K66-T70 PolarHBondContact O-OG1 3.36Å
67M89.4Confident86.7Confident3 Ų353.5 Ų53.52%0.01528%0.28CS..Hα-helixtrans-65-43.8175.1-80.7-67.417300110.9L48 F50 L63 R64 T70 M71 C110 Y114 V161 L165L48-M67 HydrophobicContact CD1-CB 4.42Å; F50-M67 HydrophobicContact CZ-CB 4.49Å; L63-M67 HydrophobicContact CD1-CE 4.37Å; L63-M67 HydrophobicContact CD1-CG 4.25Å; L63-M67 WeakPolarHBondContact O-CB 3.24Å; L63-M67 WeakPolarHBondContact O-CG 3.33Å; L63-M67 PolarHBondContact O-N 3.33Å; R64-M67 PolarHBondContact O-N 3.32Å; M67-T70 PolarHBondContact O-N 2.71Å; M67-M71 WeakPolarHBondContact O-CB 3.41Å; M67-M71 WeakPolarHBondContact O-CG 3.47Å; M67-M71 PolarHBondContact O-N 3.43Å; M67-C110 VanDerWaalsContact CE-SG 3.52Å; M67-C110 PolarHBondContact SD-SG 2.84Å; M67-Y114 HydrophobicContact CE-CD2 3.85Å; M67-Y114 HydrophobicContact CE-CG 4.08Å; M67-V161 HydrophobicContact CG-CG1 4.3Å; M67-V161 HydrophobicContact SD-CG1 4.32Å; M67-L165 HydrophobicContact SD-CD2 4.32Å
68N88.1Confident87.2Confident69 Ų6953.4 Ų53.437%0.36928%0.277SS..Hα-helixtrans-61.7-45.4175.2-72.7-23.2000111.6R64 D65 T70 M71 M72R64-N68 PolarHBondContact O-N 3.09Å; R64-N68 PolarHBondContact O-ND2 3.06Å; D65-N68 PolarHBondContact O-N 3.37Å; N68-T70 PolarHBondContact O-N 3.11Å; N68-M71 PolarHBondContact O-N 2.89Å; N68-M72 WeakPolarHBondContact O-CG 3.45Å; N68-M72 PolarHBondContact O-N 3.38Å
69Q90.9Very high87.5Confident117 Ų11757 Ų5755%0.54728%0.277SS..Hα-helixtrans-58.4-47175.8-174.2-17910.200111.6D65 K66 M71 M72 S73D65-Q69 WeakPolarHBondContact O-CB 3.31Å; D65-Q69 PolarHBondContact O-N 3.27Å; K66-Q69 PolarHBondContact O-N 2.78Å; Q69-M71 VanDerWaalsContact C-N 3.3Å; Q69-M71 PolarHBondContact O-N 3.24Å; Q69-M72 PolarHBondContact O-N 2.85Å; Q69-S73 PolarHBondContact O-N 2.84Å; Q69-S73 PolarHBondContact O-OG 3Å
70T92.3Very high87.7Confident2 Ų257.1 Ų57.11%0.01228%0.278CS..Hα-helixtrans-57.7-43.7176.5-57.20000111.5K66 M67 N68 S73 L74 F102 I106 L107 C110 L165K66-T70 WeakPolarHBondContact O-CB 3.21Å; K66-T70 PolarHBondContact O-N 3.21Å; K66-T70 PolarHBondContact O-OG1 3.36Å; M67-T70 PolarHBondContact O-N 2.71Å; N68-T70 PolarHBondContact O-N 3.11Å; T70-S73 PolarHBondContact O-N 2.78Å; T70-L74 WeakPolarHBondContact O-CB 3.32Å; T70-L74 PolarHBondContact O-N 3.45Å; T70-F102 HydrophobicContact CG2-CE2 4.2Å; T70-F102 HydrophobicContact CG2-CZ 4.02Å; T70-I106 HydrophobicContact CG2-CG2 4.3Å; T70-L107 HydrophobicContact CG2-CD1 3.98Å; T70-C110 WeakPolarHBondContact OG1-CB 3.08Å; T70-C110 PolarHBondContact OG1-SG 3.38Å; T70-L165 HydrophobicContact CG2-CD1 4.24Å
71M88.3Confident87.8Confident20 Ų2057 Ų5710%0.09928%0.277CS..Hα-helixtrans-68.5-36.8179.4-67.6-69.2-86.700112.8M67 N68 Q69 H75 V164 L165 R168M67-M71 WeakPolarHBondContact O-CB 3.41Å; M67-M71 WeakPolarHBondContact O-CG 3.47Å; M67-M71 PolarHBondContact O-N 3.43Å; N68-M71 PolarHBondContact O-N 2.89Å; Q69-M71 VanDerWaalsContact C-N 3.3Å; Q69-M71 PolarHBondContact O-N 3.24Å; M71-H75 PolarHBondContact O-N 2.9Å; M71-V164 HydrophobicContact CE-CG1 3.57Å; M71-L165 HydrophobicContact SD-CB 4.47Å; M71-L165 HydrophobicContact SD-CD1 3.75Å; M71-R168 VanDerWaalsContact CE-CD 3.41Å; M71-R168 HydrophobicContact CE-CG 4.26Å; M71-R168 VanDerWaalsContact CE-NE 3.3Å
72M89.4Confident87.6Confident148 Ų14860.4 Ų60.473%0.72929%0.294SS*.Hα-helixtrans-66.7-43.3173.9-71.5-170.979.900111.7N68 Q69 H75 G76N68-M72 WeakPolarHBondContact O-CG 3.45Å; N68-M72 PolarHBondContact O-N 3.38Å; Q69-M72 PolarHBondContact O-N 2.85Å; M72-H75 WeakPolarHBondContact O-CB 3.39Å; M72-H75 PolarHBondContact O-N 3.33Å; M72-G76 PolarHBondContact O-N 2.9Å
73S91.4Very high87.1Confident37 Ų3757.9 Ų57.926%0.25929%0.286SS..Hα-helixtrans-63.8-42.1176.5-63.60000111.9Q69 T70 H75 G76 L77Q69-S73 PolarHBondContact O-N 2.84Å; Q69-S73 PolarHBondContact O-OG 3Å; T70-S73 PolarHBondContact O-N 2.78Å; S73-H75 VanDerWaalsContact C-N 3.33Å; S73-H75 PolarHBondContact O-N 2.99Å; S73-G76 WeakPolarHBondContact O-CA 3.44Å; S73-G76 PolarHBondContact O-N 3.1Å; S73-G76 VanDerWaalsContact O-N 3.12Å; S73-L77 PolarHBondContact O-N 2.81Å
74L90.2Very high85.8Confident1 Ų162 Ų621%0.00532%0.32CS..Hα-helixtrans-60.7-42.3173.9-17959.8000111.6T70 G76 L77 Y78 F102 R168 L169 F172T70-L74 WeakPolarHBondContact O-CB 3.32Å; T70-L74 PolarHBondContact O-N 3.45Å; L74-G76 VanDerWaalsContact C-N 3.3Å; L74-G76 PolarHBondContact O-N 2.83Å; L74-L77 WeakPolarHBondContact O-CB 3.34Å; L74-L77 PolarHBondContact O-N 2.95Å; L74-Y78 HydrophobicContact CD1-CD2 4.39Å; L74-Y78 HydrophobicContact CD1-CE2 4.31Å; L74-Y78 HydrophobicContact CG-CD2 4.22Å; L74-Y78 HydrophobicContact CG-CE2 4.16Å; L74-Y78 WeakPolarHBondContact O-CD2 3.24Å; L74-Y78 PolarHBondContact O-N 2.88Å; L74-F102 HydrophobicContact CB-CE2 4.21Å; L74-F102 HydrophobicContact CB-CZ 3.91Å; L74-F102 HydrophobicContact CD1-CE1 4.31Å; L74-F102 HydrophobicContact CD1-CZ 4.29Å; L74-R168 HydrophobicContact CD2-CB 3.78Å; L74-L169 HydrophobicContact CD1-CD2 3.87Å; L74-L169 HydrophobicContact CD2-CD2 3.97Å; L74-L169 HydrophobicContact CD2-CG 4.13Å; L74-F172 HydrophobicContact CD1-CD1 4.11Å; L74-F172 HydrophobicContact CD1-CE1 4.46Å; L74-F172 HydrophobicContact CD1-CG 4.25Å
75H88.3Confident84.6Confident90 Ų9064.8 Ų64.842%0.41734%0.338SS..Hα-helixtrans-63.2-36.4174.4-174.267.9000112.5M71 M72 S73 L77 Y78 R79M71-H75 PolarHBondContact O-N 2.9Å; M72-H75 WeakPolarHBondContact O-CB 3.39Å; M72-H75 PolarHBondContact O-N 3.33Å; S73-H75 VanDerWaalsContact C-N 3.33Å; S73-H75 PolarHBondContact O-N 2.99Å; H75-L77 VanDerWaalsContact C-N 3.35Å; H75-Y78 WeakPolarHBondContact O-CB 3.46Å; H75-Y78 PolarHBondContact O-N 3.14Å; H75-R79 PolarHBondContact NE2-NE 3.41Å; H75-R79 PolarHBondContact O-N 3.5Å
76G88.2Confident83.7Confident36 Ų3663 Ų6337%0.37133%0.326SS..Hα-helixtrans-57.2-46170.700000112.3M72 S73 L74 Y78 R79 Q80M72-G76 PolarHBondContact O-N 2.9Å; S73-G76 WeakPolarHBondContact O-CA 3.44Å; S73-G76 PolarHBondContact O-N 3.1Å; S73-G76 VanDerWaalsContact O-N 3.12Å; L74-G76 VanDerWaalsContact C-N 3.3Å; L74-G76 PolarHBondContact O-N 2.83Å; G76-Y78 PolarHBondContact O-N 3.44Å; G76-R79 PolarHBondContact O-N 3.31Å; G76-Q80 PolarHBondContact O-N 3.47Å
77L88.8Confident82.6Confident14 Ų1467.6 Ų67.67%0.07335%0.349CS..Hα-helixtrans-62.3-41.3175.5-67.5174.5000112.4S73 L74 H75 R79 Q80 M81 F95 F102 F172S73-L77 PolarHBondContact O-N 2.81Å; L74-L77 WeakPolarHBondContact O-CB 3.34Å; L74-L77 PolarHBondContact O-N 2.95Å; H75-L77 VanDerWaalsContact C-N 3.35Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 PolarHBondContact O-N 3.36Å; L77-Q80 PolarHBondContact O-N 2.82Å; L77-M81 VanDerWaalsContact O-CB 3.29Å; L77-M81 WeakPolarHBondContact O-CB 3.23Å; L77-M81 PolarHBondContact O-N 3.19Å; L77-F95 HydrophobicContact CD2-CE2 4.18Å; L77-F102 HydrophobicContact CD1-CB 3.76Å; L77-F102 HydrophobicContact CD1-CD1 3.75Å; L77-F102 HydrophobicContact CD1-CD2 4Å; L77-F102 HydrophobicContact CD1-CE1 4.38Å; L77-F102 HydrophobicContact CD1-CG 3.54Å; L77-F172 HydrophobicContact CB-CE2 4.3Å; L77-F172 HydrophobicContact CB-CZ 3.96Å
78Y85.9Confident82Confident43 Ų4370.3 Ų70.317%0.16937%0.366CS..Hα-helixtrans-59.9-41.2173.4-92.3-81.7000112.7L74 H75 G76 M81 N82 R168 F172L74-Y78 HydrophobicContact CD1-CD2 4.39Å; L74-Y78 HydrophobicContact CD1-CE2 4.31Å; L74-Y78 HydrophobicContact CG-CD2 4.22Å; L74-Y78 HydrophobicContact CG-CE2 4.16Å; L74-Y78 WeakPolarHBondContact O-CD2 3.24Å; L74-Y78 PolarHBondContact O-N 2.88Å; H75-Y78 WeakPolarHBondContact O-CB 3.46Å; H75-Y78 PolarHBondContact O-N 3.14Å; G76-Y78 PolarHBondContact O-N 3.44Å; Y78-M81 HydrophobicContact CD1-CE 3.78Å; Y78-M81 HydrophobicContact CE1-CE 4.3Å; Y78-M81 WeakPolarHBondContact O-CB 3.25Å; Y78-M81 PolarHBondContact O-N 3.35Å; Y78-N82 PolarHBondContact O-N 2.74Å; Y78-N82 VanDerWaalsContact O-N 3.13Å; Y78-N82 PolarHBondContact O-ND2 2.75Å; Y78-R168 PolarHBondContact OH-O 3.45Å; Y78-F172 AromaticContact CD1-CD2 3.82Å; Y78-F172 HydrophobicContact CD1-CD2 3.82Å; Y78-F172 HydrophobicContact CD1-CE2 4.48Å; Y78-F172 HydrophobicContact CD2-CB 4.46Å; Y78-F172 AromaticContact CD2-CD2 3.77Å; Y78-F172 HydrophobicContact CD2-CD2 3.77Å; Y78-F172 HydrophobicContact CD2-CE2 4.41Å; Y78-F172 HydrophobicContact CD2-CG 4.36Å; Y78-F172 HydrophobicContact CE1-CB 4.1Å; Y78-F172 AromaticContact CE1-CD2 3.76Å; Y78-F172 HydrophobicContact CE1-CD2 3.76Å; Y78-F172 HydrophobicContact CE1-CG 4.42Å; Y78-F172 HydrophobicContact CE2-CB 3.56Å; Y78-F172 AromaticContact CE2-CD2 3.7Å; Y78-F172 HydrophobicContact CE2-CD2 3.7Å; Y78-F172 AromaticContact CE2-CG 3.92Å; Y78-F172 HydrophobicContact CE2-CG 3.92Å; Y78-F172 AromaticContact CG-CD2 3.86Å; Y78-F172 HydrophobicContact CG-CD2 3.86Å; Y78-F172 HydrophobicContact CG-CE2 4.32Å; Y78-F172 VanDerWaalsContact CZ-CA 3.43Å; Y78-F172 AromaticContact CZ-CD2 3.74Å; Y78-F172 AromaticContact CZ-CG 4Å; Y78-F172 WeakPolarHBondContact OH-CA 3.5Å; Y78-F172 WeakPolarHBondContact OH-CB 3.3Å; Y78-F172 PolarHBondContact OH-N 3.48Å
79R85.9Confident81.6Confident177 Ų17772.2 Ų72.267%0.66838%0.381SS*.Hα-helixtrans-66-44.3176.5-76.1-175.7170.3-176.7-0.4111.7H75 G76 L77 M81 N82 S83H75-R79 PolarHBondContact NE2-NE 3.41Å; H75-R79 PolarHBondContact O-N 3.5Å; G76-R79 PolarHBondContact O-N 3.31Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 PolarHBondContact O-N 3.36Å; R79-M81 VanDerWaalsContact C-N 3.33Å; R79-M81 PolarHBondContact O-N 3.16Å; R79-N82 PolarHBondContact O-N 3.48Å; R79-S83 PolarHBondContact O-N 2.9Å; R79-S83 VanDerWaalsContact O-N 3.16Å
80Q84.6Confident81.1Confident72 Ų7272.3 Ų72.334%0.33639%0.386SS..Hα-helixtrans-60.7-45.9176.5-165.1-179.63.500110.4G76 L77 N82 S83 Y86 F95G76-Q80 PolarHBondContact O-N 3.47Å; L77-Q80 PolarHBondContact O-N 2.82Å; Q80-N82 PolarHBondContact O-N 2.63Å; Q80-S83 VanDerWaalsContact O-CB 3.3Å; Q80-S83 WeakPolarHBondContact O-CB 3.13Å; Q80-S83 PolarHBondContact O-N 3.34Å; Q80-S83 PolarHBondContact O-OG 3.08Å; Q80-Y86 WeakPolarHBondContact O-CE2 3.23Å; Q80-Y86 PolarHBondContact O-OH 3.01Å; Q80-Y86 VanDerWaalsContact O-OH 3.08Å; Q80-F95 HydrophobicContact CB-CE2 4.3Å; Q80-F95 HydrophobicContact CG-CD2 4.26Å; Q80-F95 HydrophobicContact CG-CE2 4.35Å
81M82.7Confident80.6Confident1 Ų174.9 Ų74.91%0.00540%0.4CS..Hα-helixtrans-55.2-36.5175.6-170.8-165.559.200112.7L77 Y78 R79 Y86 F95 F172 D175 L176 K180 F182L77-M81 VanDerWaalsContact O-CB 3.29Å; L77-M81 WeakPolarHBondContact O-CB 3.23Å; L77-M81 PolarHBondContact O-N 3.19Å; Y78-M81 HydrophobicContact CD1-CE 3.78Å; Y78-M81 HydrophobicContact CE1-CE 4.3Å; Y78-M81 WeakPolarHBondContact O-CB 3.25Å; Y78-M81 PolarHBondContact O-N 3.35Å; R79-M81 VanDerWaalsContact C-N 3.33Å; R79-M81 PolarHBondContact O-N 3.16Å; M81-Y86 VanDerWaalsContact CA-OH 3.28Å; M81-Y86 WeakPolarHBondContact CA-OH 3.34Å; M81-Y86 PolarHBondContact N-OH 3.05Å; M81-Y86 WeakPolarHBondContact O-CE2 3.36Å; M81-F95 HydrophobicContact CB-CZ 4.16Å; M81-F172 HydrophobicContact CB-CE2 4.46Å; M81-F172 HydrophobicContact SD-CD2 4.22Å; M81-F172 HydrophobicContact SD-CE2 3.9Å; M81-D175 HydrophobicContact CE-CB 3.81Å; M81-D175 HydrophobicContact SD-CB 4.12Å; M81-L176 HydrophobicContact CG-CD2 3.81Å; M81-L176 HydrophobicContact SD-CD2 3.43Å; M81-L176 WeakPolarHBondContact SD-CD2 3.27Å; M81-L176 HydrophobicContact SD-CG 3.79Å; M81-K180 VanDerWaalsContact C-NZ 3.28Å; M81-K180 HydrophobicContact CG-CD 4.04Å; M81-K180 PolarHBondContact O-NZ 2.93Å; M81-K180 HydrophobicContact SD-CD 4.23Å; M81-F182 HydrophobicContact CG-CD2 4.45Å; M81-F182 HydrophobicContact CG-CE2 3.72Å
82N78.1Confident80.3Confident110 Ų11075.4 Ų75.459%0.58840%0.404SS*.THydrogen-bonded Turntrans-86-4.8179.5-72.6-28.1000114.1Y78 R79 Q80 K180Y78-N82 PolarHBondContact O-N 2.74Å; Y78-N82 VanDerWaalsContact O-N 3.13Å; Y78-N82 PolarHBondContact O-ND2 2.75Å; R79-N82 PolarHBondContact O-N 3.48Å; Q80-N82 PolarHBondContact O-N 2.63Å; N82-K180 PolarHBondContact OD1-NZ 2.87Å
83S75.4Confident80Confident42 Ų4272.1 Ų72.129%0.29439%0.386SS..SBendtrans-76.7152.4173.977.60000111.4R79 Q80 M85R79-S83 PolarHBondContact O-N 2.9Å; R79-S83 VanDerWaalsContact O-N 3.16Å; Q80-S83 VanDerWaalsContact O-CB 3.3Å; Q80-S83 WeakPolarHBondContact O-CB 3.13Å; Q80-S83 PolarHBondContact O-N 3.34Å; Q80-S83 PolarHBondContact O-OG 3.08Å; S83-M85 PolarHBondContact O-N 3.27Å
84A60.6Low79.7Confident88 Ų8874.3 Ų74.373%0.72740%0.396SS*.SBendtrans-75.320.5-177.100000114.5Q87A84-Q87 PolarHBondContact O-NE2 2.72Å
85M60.7Low79.6Confident141 Ų14174.4 Ų74.470%0.69540%0.396SS*.  trans-88.11.3-168.1-62.4-150.8103.800115.5S83 Q87 D91S83-M85 PolarHBondContact O-N 3.27Å; M85-Q87 PolarHBondContact O-N 2.99Å; M85-D91 VanDerWaalsContact O-CB 3.31Å; M85-D91 WeakPolarHBondContact O-CB 3.39Å; M85-D91 VanDerWaalsContact O-CG 3.27Å
86Y68.6Low79.5Confident39 Ų3973.2 Ų73.215%0.15339%0.388CS..  trans-97.958.5-174.6-56-73.7000112.8Q80 M81 V92 F95 F182Q80-Y86 WeakPolarHBondContact O-CE2 3.23Å; Q80-Y86 PolarHBondContact O-OH 3.01Å; Q80-Y86 VanDerWaalsContact O-OH 3.08Å; M81-Y86 VanDerWaalsContact CA-OH 3.28Å; M81-Y86 WeakPolarHBondContact CA-OH 3.34Å; M81-Y86 PolarHBondContact N-OH 3.05Å; M81-Y86 WeakPolarHBondContact O-CE2 3.36Å; Y86-V92 HydrophobicContact CD1-CG2 4.4Å; Y86-F95 HydrophobicContact CE1-CB 3.66Å; Y86-F95 HydrophobicContact CE1-CD1 4.06Å; Y86-F95 HydrophobicContact CE1-CD2 4.13Å; Y86-F95 AromaticContact CE1-CG 3.69Å; Y86-F95 HydrophobicContact CE1-CG 3.69Å; Y86-F95 WeakPolarHBondContact OH-CD2 3.39Å; Y86-F95 VanDerWaalsContact OH-CE2 3.27Å; Y86-F95 WeakPolarHBondContact OH-CE2 3.39Å; Y86-F182 HydrophobicContact CD2-CE1 4.05Å; Y86-F182 HydrophobicContact CD2-CE2 4.38Å; Y86-F182 AromaticContact CD2-CZ 3.57Å; Y86-F182 HydrophobicContact CD2-CZ 3.57Å; Y86-F182 HydrophobicContact CE2-CE2 4.45Å; Y86-F182 HydrophobicContact CE2-CZ 4.06Å; Y86-F182 AromaticContact CG-CE1 3.88Å; Y86-F182 HydrophobicContact CG-CE1 3.88Å; Y86-F182 AromaticContact CG-CZ 3.87Å; Y86-F182 HydrophobicContact CG-CZ 3.87Å
87Q66.7Low79.5Confident170 Ų17075.1 Ų75.179%0.79439%0.389SS*.  trans-97.9-24.5-177.6-63.3-176.115.100112.5A84 M85A84-Q87 PolarHBondContact O-NE2 2.72Å; M85-Q87 PolarHBondContact O-N 2.99Å
88T77.4Confident79.5Confident60 Ų6079.3 Ų79.337%0.36841%0.407SS..SBendtrans-113.6154.6178.374.20000112.6D90 D91 V92T88-D90 PolarHBondContact O-N 2.9Å; T88-D91 WeakPolarHBondContact CB-OD2 3.49Å; T88-D91 PolarHBondContact N-OD2 3.35Å; T88-D91 VanDerWaalsContact N-OD2 3.12Å; T88-D91 PolarHBondContact O-N 2.99Å; T88-D91 PolarHBondContact OG1-N 2.9Å; T88-D91 PolarHBondContact OG1-OD2 2.8Å; T88-V92 PolarHBondContact O-N 2.95Å
89P79.1Confident79.7Confident108 Ų10877.4 Ų77.470%0.70140%0.4SS*.Hα-helixtrans-57.7-32.3172.1-25.135.1000113.6V92 E93P89-V92 PolarHBondContact O-N 2.77Å; P89-E93 PolarHBondContact O-N 2.9Å
90D80.8Confident79.8Confident119 Ų11973.4 Ų73.464%0.63639%0.389SS*.Hα-helixtrans-68.4-35.5178.6-66.4-24.4000111.7T88 V92 E93 N94T88-D90 PolarHBondContact O-N 2.9Å; D90-V92 VanDerWaalsContact C-N 3.32Å; D90-V92 PolarHBondContact O-N 3.49Å; D90-E93 PolarHBondContact O-N 3.23Å; D90-N94 WeakPolarHBondContact O-CB 3.05Å; D90-N94 VanDerWaalsContact O-CG 3.26Å; D90-N94 PolarHBondContact O-N 2.81Å; D90-N94 PolarHBondContact O-ND2 3.18Å
91D81.8Confident80.2Confident57 Ų5773 Ų7331%0.30539%0.392SS..Hα-helixtrans-64.8-38174.9-59.9-43.8000111.7M85 T88 F95M85-D91 VanDerWaalsContact O-CB 3.31Å; M85-D91 WeakPolarHBondContact O-CB 3.39Å; M85-D91 VanDerWaalsContact O-CG 3.27Å; T88-D91 WeakPolarHBondContact CB-OD2 3.49Å; T88-D91 PolarHBondContact N-OD2 3.35Å; T88-D91 VanDerWaalsContact N-OD2 3.12Å; T88-D91 PolarHBondContact O-N 2.99Å; T88-D91 PolarHBondContact OG1-N 2.9Å; T88-D91 PolarHBondContact OG1-OD2 2.8Å; D91-F95 WeakPolarHBondContact O-CB 3.34Å; D91-F95 PolarHBondContact O-N 3.48Å
92V81.7Confident80.7Confident30 Ų3073.3 Ų73.318%0.18239%0.393CS..Hα-helixtrans-68.8-41.4177.5177.30000110.8Y86 T88 P89 D90 F95 R96 F183Y86-V92 HydrophobicContact CD1-CG2 4.4Å; T88-V92 PolarHBondContact O-N 2.95Å; P89-V92 PolarHBondContact O-N 2.77Å; D90-V92 VanDerWaalsContact C-N 3.32Å; D90-V92 PolarHBondContact O-N 3.49Å; V92-F95 PolarHBondContact O-N 3.39Å; V92-R96 PolarHBondContact O-N 2.79Å; V92-F183 HydrophobicContact CG1-CD1 4.11Å; V92-F183 HydrophobicContact CG1-CE1 3.47Å; V92-F183 VanDerWaalsContact CG1-CE1 3.47Å; V92-F183 HydrophobicContact CG1-CZ 3.95Å
93E83.7Confident81.4Confident79 Ų7968.3 Ų68.337%0.36937%0.367SS..Hα-helixtrans-69.4-40.7177-176.157.8-163.100112.1P89 D90 F95 R96 I97P89-E93 PolarHBondContact O-N 2.9Å; D90-E93 PolarHBondContact O-N 3.23Å; E93-F95 VanDerWaalsContact C-N 3.3Å; E93-F95 PolarHBondContact O-N 2.7Å; E93-R96 VanDerWaalsContact O-CB 3.3Å; E93-R96 WeakPolarHBondContact O-CB 3.27Å; E93-R96 PolarHBondContact O-N 3Å; E93-R96 VanDerWaalsContact O-N 3.13Å; E93-R96 IonicContact OE1-CZ 3.09Å; E93-R96 IonicContact OE1-NE 3.61Å; E93-R96 PolarHBondContact OE1-NE 3.22Å; E93-R96 IonicContact OE1-NH2 2.72Å; E93-R96 PolarHBondContact OE1-NH2 3.13Å; E93-R96 WeakPolarHBondContact OE2-CD 3.36Å; E93-R96 IonicContact OE2-CZ 3.68Å; E93-R96 IonicContact OE2-NE 2.62Å; E93-R96 PolarHBondContact OE2-NE 2.88Å; E93-I97 WeakPolarHBondContact O-CG1 3.49Å; E93-I97 PolarHBondContact O-N 3.03Å
94N85.4Confident82.2Confident84 Ų8470.6 Ų70.645%0.44938%0.376SS..Hα-helixtrans-59.3-42.4172.6-78-38.9000111.4D90 I97 H98D90-N94 WeakPolarHBondContact O-CB 3.05Å; D90-N94 VanDerWaalsContact O-CG 3.26Å; D90-N94 PolarHBondContact O-N 2.81Å; D90-N94 PolarHBondContact O-ND2 3.18Å; N94-I97 PolarHBondContact O-N 3.31Å; N94-H98 PolarHBondContact O-N 3.19Å; N94-H98 VanDerWaalsContact O-N 3.09Å; N94-H98 PolarHBondContact O-ND1 3.43Å
95F87.4Confident83.7Confident3 Ų371.7 Ų71.71%0.01337%0.37CS..Hα-helixtrans-66.1-36.1175.1179.9-109.7000112.9L77 Q80 M81 Y86 D91 V92 E93 I97 H98 L99 F172 L176 F183L77-F95 HydrophobicContact CD2-CE2 4.18Å; Q80-F95 HydrophobicContact CB-CE2 4.3Å; Q80-F95 HydrophobicContact CG-CD2 4.26Å; Q80-F95 HydrophobicContact CG-CE2 4.35Å; M81-F95 HydrophobicContact CB-CZ 4.16Å; Y86-F95 HydrophobicContact CE1-CB 3.66Å; Y86-F95 HydrophobicContact CE1-CD1 4.06Å; Y86-F95 HydrophobicContact CE1-CD2 4.13Å; Y86-F95 AromaticContact CE1-CG 3.69Å; Y86-F95 HydrophobicContact CE1-CG 3.69Å; Y86-F95 WeakPolarHBondContact OH-CD2 3.39Å; Y86-F95 VanDerWaalsContact OH-CE2 3.27Å; Y86-F95 WeakPolarHBondContact OH-CE2 3.39Å; D91-F95 WeakPolarHBondContact O-CB 3.34Å; D91-F95 PolarHBondContact O-N 3.48Å; V92-F95 PolarHBondContact O-N 3.39Å; E93-F95 VanDerWaalsContact C-N 3.3Å; E93-F95 PolarHBondContact O-N 2.7Å; F95-I97 VanDerWaalsContact C-N 3.33Å; F95-I97 PolarHBondContact O-N 3.42Å; F95-H98 PolarHBondContact O-N 3.05Å; F95-L99 HydrophobicContact CE1-CD1 4.29Å; F95-L99 HydrophobicContact CZ-CD1 4.38Å; F95-L99 WeakPolarHBondContact O-CB 3.42Å; F95-L99 PolarHBondContact O-N 3.04Å; F95-F172 HydrophobicContact CZ-CZ 4.17Å; F95-L176 HydrophobicContact CE1-CD2 3.94Å; F95-L176 HydrophobicContact CZ-CD2 4.49Å; F95-F183 HydrophobicContact CD1-CE2 4.37Å; F95-F183 HydrophobicContact CD1-CZ 4.17Å
96R87.2Confident85.3Confident65 Ų6567.2 Ų67.225%0.24535%0.349CS..Hα-helixtrans-58.4-44.6172.2-169.6-166.37075.3-0.7111.5V92 E93 L99 Q100 F183V92-R96 PolarHBondContact O-N 2.79Å; E93-R96 VanDerWaalsContact O-CB 3.3Å; E93-R96 WeakPolarHBondContact O-CB 3.27Å; E93-R96 PolarHBondContact O-N 3Å; E93-R96 VanDerWaalsContact O-N 3.13Å; E93-R96 IonicContact OE1-CZ 3.09Å; E93-R96 IonicContact OE1-NE 3.61Å; E93-R96 PolarHBondContact OE1-NE 3.22Å; E93-R96 IonicContact OE1-NH2 2.72Å; E93-R96 PolarHBondContact OE1-NH2 3.13Å; E93-R96 WeakPolarHBondContact OE2-CD 3.36Å; E93-R96 IonicContact OE2-CZ 3.68Å; E93-R96 IonicContact OE2-NE 2.62Å; E93-R96 PolarHBondContact OE2-NE 2.88Å; R96-L99 WeakPolarHBondContact O-CB 3.13Å; R96-L99 PolarHBondContact O-N 3.22Å; R96-Q100 VanDerWaalsContact NH1-OE1 3.14Å; R96-Q100 PolarHBondContact O-N 3.12Å; R96-F183 HydrophobicContact CB-CE1 3.97Å; R96-F183 HydrophobicContact CB-CZ 4.1Å; R96-F183 HydrophobicContact CG-CE1 4.26Å
97I87Confident86.5Confident76 Ų7665.4 Ų65.439%0.3934%0.341SS..Hα-helixtrans-61.8-47.9177.4-65.6167.8000110.3E93 N94 F95 L99 Q100 T101E93-I97 WeakPolarHBondContact O-CG1 3.49Å; E93-I97 PolarHBondContact O-N 3.03Å; N94-I97 PolarHBondContact O-N 3.31Å; F95-I97 VanDerWaalsContact C-N 3.33Å; F95-I97 PolarHBondContact O-N 3.42Å; I97-L99 VanDerWaalsContact C-N 3.27Å; I97-L99 PolarHBondContact O-N 3.03Å; I97-Q100 WeakPolarHBondContact O-CB 3.35Å; I97-Q100 PolarHBondContact O-N 3.34Å; I97-Q100 VanDerWaalsContact O-N 3.13Å; I97-T101 PolarHBondContact O-N 3.17Å; I97-T101 PolarHBondContact O-OG1 2.88Å; I97-T101 VanDerWaalsContact O-OG1 3.05Å
98H88.9Confident87.8Confident101 Ų10160.2 Ų60.247%0.46832%0.321SS..Hα-helixtrans-59.6-37.8177-74.186.6000112.8N94 F95 T101 F102N94-H98 PolarHBondContact O-N 3.19Å; N94-H98 VanDerWaalsContact O-N 3.09Å; N94-H98 PolarHBondContact O-ND1 3.43Å; F95-H98 PolarHBondContact O-N 3.05Å; H98-T101 PolarHBondContact O-N 3.5Å; H98-F102 PolarHBondContact O-N 2.89Å
99L90.1Very high88.5Confident3 Ų359.8 Ų59.82%0.01632%0.32CS..Hα-helixtrans-67.4-39.4176.9-173.9129.2000111.7F95 R96 I97 F102 G103 F172 L176 P187 V188 M191F95-L99 HydrophobicContact CE1-CD1 4.29Å; F95-L99 HydrophobicContact CZ-CD1 4.38Å; F95-L99 WeakPolarHBondContact O-CB 3.42Å; F95-L99 PolarHBondContact O-N 3.04Å; R96-L99 WeakPolarHBondContact O-CB 3.13Å; R96-L99 PolarHBondContact O-N 3.22Å; I97-L99 VanDerWaalsContact C-N 3.27Å; I97-L99 PolarHBondContact O-N 3.03Å; L99-F102 PolarHBondContact O-N 2.9Å; L99-G103 PolarHBondContact O-N 3.34Å; L99-G103 VanDerWaalsContact O-N 3.11Å; L99-F172 HydrophobicContact CD1-CE1 3.45Å; L99-F172 VanDerWaalsContact CD1-CE1 3.45Å; L99-F172 HydrophobicContact CD1-CZ 3.74Å; L99-L176 HydrophobicContact CD1-CD1 3.97Å; L99-P187 HydrophobicContact CD2-CB 3.59Å; L99-P187 HydrophobicContact CD2-CG 3.98Å; L99-V188 HydrophobicContact CD1-CG2 4.3Å; L99-V188 HydrophobicContact CD2-CG2 4.41Å; L99-M191 HydrophobicContact CD2-CE 3.52Å; L99-M191 HydrophobicContact CG-CE 3.85Å; L99-M191 WeakPolarHBondContact O-CE 3.35Å
100Q88.9Confident89.2Confident94 Ų9454.7 Ų54.744%0.43929%0.287SS..Hα-helixtrans-64.8-46.9173.2-174.1173.9-9.100111.5R96 I97 F102 G103 D104R96-Q100 VanDerWaalsContact NH1-OE1 3.14Å; R96-Q100 PolarHBondContact O-N 3.12Å; I97-Q100 WeakPolarHBondContact O-CB 3.35Å; I97-Q100 PolarHBondContact O-N 3.34Å; I97-Q100 VanDerWaalsContact O-N 3.13Å; Q100-F102 VanDerWaalsContact C-N 3.3Å; Q100-F102 PolarHBondContact O-N 3Å; Q100-G103 WeakPolarHBondContact O-CA 3.19Å; Q100-G103 PolarHBondContact O-N 3.04Å; Q100-D104 WeakPolarHBondContact CG-OD2 3.28Å; Q100-D104 PolarHBondContact O-N 3.39Å
101T91.6Very high89.8Confident64 Ų6449.2 Ų49.239%0.39326%0.257SS..Hα-helixtrans-56.9-41.6174.6-56.90000111.9I97 H98 G103 D105I97-T101 PolarHBondContact O-N 3.17Å; I97-T101 PolarHBondContact O-OG1 2.88Å; I97-T101 VanDerWaalsContact O-OG1 3.05Å; H98-T101 PolarHBondContact O-N 3.5Å; T101-G103 VanDerWaalsContact C-N 3.35Å; T101-G103 PolarHBondContact O-N 3.08Å; T101-D105 HydrophobicContact CG2-CB 4.48Å; T101-D105 WeakPolarHBondContact CG2-OD2 3.39Å; T101-D105 VanDerWaalsContact O-CB 3.3Å; T101-D105 WeakPolarHBondContact O-CB 3.44Å; T101-D105 PolarHBondContact O-N 3.34Å
102F94.3Very high90.3Very high6 Ų649.8 Ų49.83%0.02626%0.258CS..Iπ-helixtrans-60.9-43173.4168.1-95.1000112.4T70 L74 L77 H98 L99 Q100 I106 L107 L169 M191T70-F102 HydrophobicContact CG2-CE2 4.2Å; T70-F102 HydrophobicContact CG2-CZ 4.02Å; L74-F102 HydrophobicContact CB-CE2 4.21Å; L74-F102 HydrophobicContact CB-CZ 3.91Å; L74-F102 HydrophobicContact CD1-CE1 4.31Å; L74-F102 HydrophobicContact CD1-CZ 4.29Å; L77-F102 HydrophobicContact CD1-CB 3.76Å; L77-F102 HydrophobicContact CD1-CD1 3.75Å; L77-F102 HydrophobicContact CD1-CD2 4Å; L77-F102 HydrophobicContact CD1-CE1 4.38Å; L77-F102 HydrophobicContact CD1-CG 3.54Å; H98-F102 PolarHBondContact O-N 2.89Å; L99-F102 PolarHBondContact O-N 2.9Å; Q100-F102 VanDerWaalsContact C-N 3.3Å; Q100-F102 PolarHBondContact O-N 3Å; F102-I106 HydrophobicContact CD2-CB 4.06Å; F102-I106 HydrophobicContact CD2-CD1 4.03Å; F102-I106 HydrophobicContact CD2-CG2 4.19Å; F102-I106 HydrophobicContact CE2-CB 4.36Å; F102-I106 HydrophobicContact CE2-CG2 4.04Å; F102-I106 WeakPolarHBondContact O-CB 3.29Å; F102-I106 PolarHBondContact O-N 3.43Å; F102-L107 HydrophobicContact CE1-CB 4.2Å; F102-L107 HydrophobicContact CE1-CD2 4.47Å; F102-L107 HydrophobicContact CZ-CB 4.39Å; F102-L107 PolarHBondContact O-N 3.5Å; F102-L169 HydrophobicContact CE1-CD2 4.37Å; F102-M191 HydrophobicContact CD1-SD 4.07Å; F102-M191 HydrophobicContact CE1-SD 4.3Å
103G91.9Very high90.8Very high5 Ų549.4 Ų49.45%0.05225%0.254CS..Iπ-helixtrans-60.6-5417700000112.2L99 Q100 T101 V108L99-G103 PolarHBondContact O-N 3.34Å; L99-G103 VanDerWaalsContact O-N 3.11Å; Q100-G103 WeakPolarHBondContact O-CA 3.19Å; Q100-G103 PolarHBondContact O-N 3.04Å; T101-G103 VanDerWaalsContact C-N 3.35Å; T101-G103 PolarHBondContact O-N 3.08Å; G103-V108 WeakPolarHBondContact O-CG2 3.06Å; G103-V108 PolarHBondContact O-N 3.03Å
104D92Very high91.2Very high90 Ų9045.7 Ų45.748%0.48124%0.237SC..Iπ-helixtrans-76.8-41.2-170.7-65.6-22.3000112.5Q100 P109Q100-D104 WeakPolarHBondContact CG-OD2 3.28Å; Q100-D104 PolarHBondContact O-N 3.39Å; D104-P109 VanDerWaalsContact O-CD 3.28Å; D104-P109 WeakPolarHBondContact O-CD 3.44Å
105D92.9Very high91.5Very high112 Ų11242.7 Ų42.760%0.59922%0.22SC*.Iπ-helixtrans-100-17.5-170.5-61.9-26.8000114T101T101-D105 HydrophobicContact CG2-CB 4.48Å; T101-D105 WeakPolarHBondContact CG2-OD2 3.39Å; T101-D105 VanDerWaalsContact O-CB 3.3Å; T101-D105 WeakPolarHBondContact O-CB 3.44Å; T101-D105 PolarHBondContact O-N 3.34Å
106I93.8Very high91.6Very high47 Ų4746.1 Ų46.124%0.24124%0.241CC..Iπ-helixtrans-117.3-58.6-176.7-57.1175.9000111T70 F102 C110T70-I106 HydrophobicContact CG2-CG2 4.3Å; F102-I106 HydrophobicContact CD2-CB 4.06Å; F102-I106 HydrophobicContact CD2-CD1 4.03Å; F102-I106 HydrophobicContact CD2-CG2 4.19Å; F102-I106 HydrophobicContact CE2-CB 4.36Å; F102-I106 HydrophobicContact CE2-CG2 4.04Å; F102-I106 WeakPolarHBondContact O-CB 3.29Å; F102-I106 PolarHBondContact O-N 3.43Å; I106-C110 VanDerWaalsContact O-CB 3.31Å; I106-C110 WeakPolarHBondContact O-CB 3.19Å; I106-C110 PolarHBondContact O-N 3.47Å
107L94Very high91.8Very high0 Ų043.4 Ų43.40%023%0.231CC..Iπ-helixtrans-68.3-52.7-173.217964.1000112.2T70 F102 C110 L111 L165 L169 M191 V195T70-L107 HydrophobicContact CG2-CD1 3.98Å; F102-L107 HydrophobicContact CE1-CB 4.2Å; F102-L107 HydrophobicContact CE1-CD2 4.47Å; F102-L107 HydrophobicContact CZ-CB 4.39Å; F102-L107 PolarHBondContact O-N 3.5Å; L107-C110 WeakPolarHBondContact O-CB 3.34Å; L107-C110 PolarHBondContact O-N 2.87Å; L107-L111 HydrophobicContact CD1-CD1 4.1Å; L107-L111 HydrophobicContact CD1-CG 4.2Å; L107-L111 HydrophobicContact CG-CD1 4.04Å; L107-L111 HydrophobicContact CG-CG 4.49Å; L107-L111 WeakPolarHBondContact O-CG 3.24Å; L107-L111 PolarHBondContact O-N 3.29Å; L107-L165 HydrophobicContact CD1-CD1 4.31Å; L107-L165 HydrophobicContact CD1-CD2 3.87Å; L107-L165 HydrophobicContact CD1-CG 4.46Å; L107-L169 HydrophobicContact CD1-CD1 4.41Å; L107-L169 HydrophobicContact CD2-CD1 4.08Å; L107-M191 HydrophobicContact CD2-CB 3.49Å; L107-M191 VanDerWaalsContact CD2-CB 3.49Å; L107-M191 HydrophobicContact CD2-CG 3.82Å; L107-V195 HydrophobicContact CD1-CG2 4.43Å
108V93.1Very high91.9Very high61 Ų6139.9 Ų39.937%0.3721%0.213SC..Hα-helixtrans-59.5-49.5-178167.50000111.6G103 C110 L111 E112G103-V108 WeakPolarHBondContact O-CG2 3.06Å; G103-V108 PolarHBondContact O-N 3.03Å; V108-C110 VanDerWaalsContact C-N 3.26Å; V108-C110 PolarHBondContact O-N 3.32Å; V108-L111 PolarHBondContact O-N 3.29Å; V108-L111 VanDerWaalsContact O-N 3.08Å; V108-E112 HydrophobicContact CG1-CG 4.26Å; V108-E112 WeakPolarHBondContact O-CG 3.41Å; V108-E112 PolarHBondContact O-N 3.25Å
109P93.4Very high91.9Very high52 Ų5236.4 Ų36.434%0.33820%0.198SC..Hα-helixtrans-61-32.4176.8-27.537.6000113.9D104 Q113D104-P109 VanDerWaalsContact O-CD 3.28Å; D104-P109 WeakPolarHBondContact O-CD 3.44Å; P109-Q113 PolarHBondContact O-N 2.67Å
110C93.6Very high91.8Very high1 Ų141.9 Ų41.91%0.00722%0.222CC..Hα-helixtrans-66.4-43.9173.9-173.20000111.6M67 T70 I106 L107 V108 Q113 Y114M67-C110 VanDerWaalsContact CE-SG 3.52Å; M67-C110 PolarHBondContact SD-SG 2.84Å; T70-C110 WeakPolarHBondContact OG1-CB 3.08Å; T70-C110 PolarHBondContact OG1-SG 3.38Å; I106-C110 VanDerWaalsContact O-CB 3.31Å; I106-C110 WeakPolarHBondContact O-CB 3.19Å; I106-C110 PolarHBondContact O-N 3.47Å; L107-C110 WeakPolarHBondContact O-CB 3.34Å; L107-C110 PolarHBondContact O-N 2.87Å; V108-C110 VanDerWaalsContact C-N 3.26Å; V108-C110 PolarHBondContact O-N 3.32Å; C110-Q113 PolarHBondContact O-N 3.34Å; C110-Y114 WeakPolarHBondContact O-CB 3.41Å; C110-Y114 PolarHBondContact O-N 3.45Å
111L94.1Very high91.8Very high3 Ų338.8 Ų38.82%0.01621%0.208CC..Hα-helixtrans-67.7-39.5177.6-67.4175.7000112.7L107 V108 Q113 Y114 K115 L162 L165 A194 V195 A198L107-L111 HydrophobicContact CD1-CD1 4.1Å; L107-L111 HydrophobicContact CD1-CG 4.2Å; L107-L111 HydrophobicContact CG-CD1 4.04Å; L107-L111 HydrophobicContact CG-CG 4.49Å; L107-L111 WeakPolarHBondContact O-CG 3.24Å; L107-L111 PolarHBondContact O-N 3.29Å; V108-L111 PolarHBondContact O-N 3.29Å; V108-L111 VanDerWaalsContact O-N 3.08Å; L111-Q113 VanDerWaalsContact C-N 3.33Å; L111-Q113 PolarHBondContact O-N 3.26Å; L111-Y114 WeakPolarHBondContact O-CB 3.19Å; L111-Y114 PolarHBondContact O-N 3.26Å; L111-K115 VanDerWaalsContact O-CG 3.27Å; L111-K115 WeakPolarHBondContact O-CG 3.06Å; L111-K115 PolarHBondContact O-N 3.13Å; L111-L162 HydrophobicContact CD2-CD2 3.88Å; L111-L165 HydrophobicContact CD2-CD2 4.15Å; L111-A194 HydrophobicContact CD1-CB 3.73Å; L111-V195 HydrophobicContact CD1-CG2 3.94Å; L111-V195 HydrophobicContact CD2-CG2 4.22Å; L111-A198 HydrophobicContact CD2-CB 4.2Å
112E92Very high91.6Very high70 Ų7036 Ų3633%0.32719%0.191SC..Hα-helixtrans-63.2-40175.9-68.5-59.9115.800111.6V108 K115 T116 Q264V108-E112 HydrophobicContact CG1-CG 4.26Å; V108-E112 WeakPolarHBondContact O-CG 3.41Å; V108-E112 PolarHBondContact O-N 3.25Å; E112-K115 PolarHBondContact O-N 3.02Å; E112-K115 IonicContact OE1-NZ 2.65Å; E112-K115 PolarHBondContact OE1-NZ 3.04Å; E112-T116 WeakPolarHBondContact O-CB 3.42Å; E112-T116 PolarHBondContact O-N 3.15Å; E112-T116 PolarHBondContact O-OG1 2.65Å; E112-Q264 PolarHBondContact O-OE1 3.31Å; E112-Q264 VanDerWaalsContact OE2-CD 3.27Å; E112-Q264 PolarHBondContact OE2-OE1 2.96Å
113Q90.7Very high91.3Very high22 Ų2239.4 Ų39.410%0.10321%0.208CC..Hα-helixtrans-65.3-42.4172.5-179.1173.8-22.200111.7M62 L63 P109 C110 L111 K115 T116 F117M62-Q113 VanDerWaalsContact C-NE2 3.28Å; M62-Q113 HydrophobicContact CE-CG 4.38Å; L63-Q113 VanDerWaalsContact CA-NE2 3.33Å; L63-Q113 HydrophobicContact CD1-CG 4.3Å; L63-Q113 VanDerWaalsContact N-NE2 3.11Å; P109-Q113 PolarHBondContact O-N 2.67Å; C110-Q113 PolarHBondContact O-N 3.34Å; L111-Q113 VanDerWaalsContact C-N 3.33Å; L111-Q113 PolarHBondContact O-N 3.26Å; Q113-K115 PolarHBondContact O-N 3.47Å; Q113-T116 PolarHBondContact O-N 3.26Å; Q113-F117 WeakPolarHBondContact O-CB 3.44Å; Q113-F117 PolarHBondContact O-N 3.39Å
114Y92.5Very high91.1Very high1 Ų141.5 Ų41.50%0.00423%0.225CC..Hα-helixtrans-58.2-47.1176173.6-86.1000111.7L63 M67 C110 L111 F117 C118 M158 L162 L202L63-Y114 HydrophobicContact CD1-CD2 4.32Å; L63-Y114 HydrophobicContact CD2-CD2 4.21Å; M67-Y114 HydrophobicContact CE-CD2 3.85Å; M67-Y114 HydrophobicContact CE-CG 4.08Å; C110-Y114 WeakPolarHBondContact O-CB 3.41Å; C110-Y114 PolarHBondContact O-N 3.45Å; L111-Y114 WeakPolarHBondContact O-CB 3.19Å; L111-Y114 PolarHBondContact O-N 3.26Å; Y114-F117 PolarHBondContact O-N 2.97Å; Y114-C118 VanDerWaalsContact CE1-SG 3.55Å; Y114-C118 VanDerWaalsContact CZ-SG 3.53Å; Y114-C118 WeakPolarHBondContact O-CB 3.35Å; Y114-C118 PolarHBondContact O-N 3.32Å; Y114-C118 PolarHBondContact O-SG 2.84Å; Y114-M158 HydrophobicContact CE2-CB 4.35Å; Y114-M158 HydrophobicContact CE2-SD 3.92Å; Y114-M158 WeakPolarHBondContact OH-CB 3.48Å; Y114-M158 PolarHBondContact OH-O 2.81Å; Y114-L162 HydrophobicContact CD1-CD1 4.33Å; Y114-L162 HydrophobicContact CD1-CD2 4.22Å; Y114-L162 HydrophobicContact CD1-CG 4.47Å; Y114-L162 HydrophobicContact CD2-CD2 4.49Å; Y114-L162 HydrophobicContact CE1-CD1 3.46Å; Y114-L162 VanDerWaalsContact CE1-CD1 3.46Å; Y114-L162 HydrophobicContact CE1-CD2 4.03Å; Y114-L162 HydrophobicContact CE1-CG 3.79Å; Y114-L162 HydrophobicContact CE2-CD2 4.28Å; Y114-L162 HydrophobicContact CE2-CG 4.01Å; Y114-L162 HydrophobicContact CG-CD2 4.44Å; Y114-L162 VanDerWaalsContact CZ-CG 3.49Å; Y114-L162 VanDerWaalsContact OH-CD1 3.28Å; Y114-L162 WeakPolarHBondContact OH-CD1 3.28Å; Y114-L162 WeakPolarHBondContact OH-CG 3.34Å; Y114-L202 WeakPolarHBondContact OH-CD2 3.42Å
115K92.3Very high91Very high21 Ų2138.6 Ų38.69%0.09121%0.209CC..Hα-helixtrans-61.6-45.6178-69.9173.7-169.2174.60111.2L111 E112 Q113 C118 N119 A198 L201 Q264L111-K115 VanDerWaalsContact O-CG 3.27Å; L111-K115 WeakPolarHBondContact O-CG 3.06Å; L111-K115 PolarHBondContact O-N 3.13Å; E112-K115 PolarHBondContact O-N 3.02Å; E112-K115 IonicContact OE1-NZ 2.65Å; E112-K115 PolarHBondContact OE1-NZ 3.04Å; Q113-K115 PolarHBondContact O-N 3.47Å; K115-C118 PolarHBondContact O-N 2.8Å; K115-N119 WeakPolarHBondContact O-CB 3.39Å; K115-N119 VanDerWaalsContact O-CG 3.24Å; K115-N119 PolarHBondContact O-N 3.41Å; K115-N119 PolarHBondContact O-ND2 3.32Å; K115-A198 HydrophobicContact CG-CB 4.18Å; K115-L201 HydrophobicContact CB-CD2 4.2Å; K115-L201 HydrophobicContact CD-CD2 3.94Å; K115-L201 HydrophobicContact CG-CD2 3.98Å; K115-Q264 VanDerWaalsContact CB-OE1 3.23Å; K115-Q264 HydrophobicContact CD-CB 3.97Å; K115-Q264 PolarHBondContact NZ-O 3.34Å; K115-Q264 VanDerWaalsContact NZ-O 3.07Å
116T89.9Confident90.8Very high75 Ų7533.5 Ų33.546%0.4618%0.182SC..Hα-helixtrans-60-48.6177.7-55.40000111.6E112 Q113 C118 N119 K120 Q264E112-T116 WeakPolarHBondContact O-CB 3.42Å; E112-T116 PolarHBondContact O-N 3.15Å; E112-T116 PolarHBondContact O-OG1 2.65Å; Q113-T116 PolarHBondContact O-N 3.26Å; T116-C118 VanDerWaalsContact C-N 3.34Å; T116-C118 PolarHBondContact O-N 3.31Å; T116-N119 PolarHBondContact O-N 3.44Å; T116-K120 PolarHBondContact O-N 3.23Å; T116-K120 VanDerWaalsContact O-N 3.15Å; T116-Q264 PolarHBondContact OG1-NE2 3.07Å; T116-Q264 VanDerWaalsContact OG1-NE2 3.09Å
117F90.3Very high90.7Very high7 Ų736.5 Ų36.53%0.03120%0.195CC..Hα-helixtrans-59.3-45.8176.3176.3-92.5000111.4E59 Y60 L63 Q113 Y114 K120 N121 F154 M158E59-F117 HydrophobicContact CB-CD2 4.25Å; Y60-F117 HydrophobicContact CD2-CE1 4.28Å; Y60-F117 HydrophobicContact CD2-CE2 4.06Å; Y60-F117 AromaticContact CD2-CZ 3.57Å; Y60-F117 HydrophobicContact CD2-CZ 3.57Å; Y60-F117 HydrophobicContact CE2-CZ 4.36Å; Y60-F117 HydrophobicContact CG-CZ 4.46Å; L63-F117 HydrophobicContact CD2-CB 4.06Å; L63-F117 HydrophobicContact CD2-CD1 3.58Å; L63-F117 HydrophobicContact CD2-CD2 4.46Å; L63-F117 HydrophobicContact CD2-CE1 4.16Å; L63-F117 HydrophobicContact CD2-CG 3.77Å; Q113-F117 WeakPolarHBondContact O-CB 3.44Å; Q113-F117 PolarHBondContact O-N 3.39Å; Y114-F117 PolarHBondContact O-N 2.97Å; F117-K120 PolarHBondContact O-N 2.99Å; F117-N121 WeakPolarHBondContact CD2-ND2 3.49Å; F117-N121 WeakPolarHBondContact CE2-ND2 3.31Å; F117-N121 VanDerWaalsContact CZ-ND2 3.3Å; F117-N121 WeakPolarHBondContact CZ-ND2 3.24Å; F117-N121 PolarHBondContact O-N 2.94Å; F117-N121 VanDerWaalsContact O-N 3.12Å; F117-N121 PolarHBondContact O-ND2 2.79Å; F117-F154 HydrophobicContact CE1-CE2 4.1Å; F117-M158 HydrophobicContact CD1-SD 4.4Å; F117-M158 HydrophobicContact CE1-CE 3.95Å; F117-M158 HydrophobicContact CE1-SD 4.17Å
118C90.1Very high90.4Very high3 Ų341.1 Ų41.12%0.0222%0.216CC..Hα-helixtrans-63.1-45.3179.7-72.10000112.1Y114 K115 T116 K120 C122 L202Y114-C118 VanDerWaalsContact CE1-SG 3.55Å; Y114-C118 VanDerWaalsContact CZ-SG 3.53Å; Y114-C118 WeakPolarHBondContact O-CB 3.35Å; Y114-C118 PolarHBondContact O-N 3.32Å; Y114-C118 PolarHBondContact O-SG 2.84Å; K115-C118 PolarHBondContact O-N 2.8Å; T116-C118 VanDerWaalsContact C-N 3.34Å; T116-C118 PolarHBondContact O-N 3.31Å; C118-K120 PolarHBondContact O-N 2.9Å; C118-C122 WeakPolarHBondContact O-CB 3.48Å; C118-C122 PolarHBondContact O-N 3.44Å; C118-L202 HydrophobicContact CB-CD1 3.97Å
119N88.9Confident90.2Very high28 Ų2838.3 Ų38.315%0.1520%0.199CC..Hα-helixtrans-60.2-45.7-179.9-75.7-21.9000111.9K115 T116 M123 R261K115-N119 WeakPolarHBondContact O-CB 3.39Å; K115-N119 VanDerWaalsContact O-CG 3.24Å; K115-N119 PolarHBondContact O-N 3.41Å; K115-N119 PolarHBondContact O-ND2 3.32Å; T116-N119 PolarHBondContact O-N 3.44Å; N119-M123 VanDerWaalsContact O-CG 3.31Å; N119-M123 WeakPolarHBondContact O-CG 3.38Å; N119-M123 PolarHBondContact O-N 2.91Å; N119-R261 PolarHBondContact ND2-O 2.94Å
120K87.4Confident90Very high118 Ų11836 Ų3651%0.51318%0.184SC..Hα-helixtrans-63.4-53.4179.5-176.9-175.2174.9-166.90111.9E59 T116 F117 C118 C122 M123 A124E59-K120 IonicContact OE1-NZ 3.68Å; E59-K120 PolarHBondContact OE1-NZ 3.2Å; E59-K120 WeakPolarHBondContact OE2-CD 3.3Å; E59-K120 IonicContact OE2-NZ 3.64Å; E59-K120 PolarHBondContact OE2-NZ 3.25Å; T116-K120 PolarHBondContact O-N 3.23Å; T116-K120 VanDerWaalsContact O-N 3.15Å; F117-K120 PolarHBondContact O-N 2.99Å; C118-K120 PolarHBondContact O-N 2.9Å; K120-C122 PolarHBondContact O-N 3.45Å; K120-M123 PolarHBondContact O-N 2.98Å; K120-A124 PolarHBondContact O-N 2.97Å
121N88.4Confident89.7Confident29 Ų2939 Ų3916%0.15520%0.199CC..Hα-helixtrans-66.8-38.7-176.8-77.6-84.5000112.2F117 M123 A124 L125 F154F117-N121 WeakPolarHBondContact CD2-ND2 3.49Å; F117-N121 WeakPolarHBondContact CE2-ND2 3.31Å; F117-N121 VanDerWaalsContact CZ-ND2 3.3Å; F117-N121 WeakPolarHBondContact CZ-ND2 3.24Å; F117-N121 PolarHBondContact O-N 2.94Å; F117-N121 VanDerWaalsContact O-N 3.12Å; F117-N121 PolarHBondContact O-ND2 2.79Å; N121-M123 VanDerWaalsContact C-N 3.34Å; N121-M123 PolarHBondContact O-N 3.01Å; N121-A124 PolarHBondContact O-N 2.9Å; N121-L125 WeakPolarHBondContact O-CG 3.18Å; N121-L125 PolarHBondContact O-N 3.44Å; N121-F154 HydrophobicContact CB-CE2 3.7Å; N121-F154 HydrophobicContact CB-CZ 3.74Å
122C88.4Confident89.3Confident4 Ų440.7 Ų40.73%0.02721%0.21CC..Hα-helixtrans-63.2-39.8178.5-176.80000112.3C118 K120 L125 W126 F154 Y155 N205C118-C122 WeakPolarHBondContact O-CB 3.48Å; C118-C122 PolarHBondContact O-N 3.44Å; K120-C122 PolarHBondContact O-N 3.45Å; C122-L125 PolarHBondContact O-N 2.76Å; C122-W126 WeakPolarHBondContact O-CB 3.3Å; C122-W126 VanDerWaalsContact O-CD1 3.27Å; C122-W126 PolarHBondContact O-N 3.34Å; C122-F154 HydrophobicContact CB-CE1 4.15Å; C122-Y155 PolarHBondContact SG-OH 3.48Å; C122-N205 PolarHBondContact SG-ND2 3.37Å
123M87.2Confident89.1Confident79 Ų7937.8 Ų37.839%0.38920%0.196SC..Hα-helixtrans-62.7-45.2175.6-74.9-61.3-70.300112.2N119 K120 N121 W126 Q127 R261N119-M123 VanDerWaalsContact O-CG 3.31Å; N119-M123 WeakPolarHBondContact O-CG 3.38Å; N119-M123 PolarHBondContact O-N 2.91Å; K120-M123 PolarHBondContact O-N 2.98Å; N121-M123 VanDerWaalsContact C-N 3.34Å; N121-M123 PolarHBondContact O-N 3.01Å; M123-W126 PolarHBondContact O-N 3.45Å; M123-Q127 PolarHBondContact O-N 3.37Å; M123-R261 PolarHBondContact SD-NH1 2.94Å
124A88.5Confident89Confident48 Ų4836.8 Ų36.840%0.39719%0.191SC..Hα-helixtrans-62.5-44.317800000112.1K120 N121 Q127 Q128K120-A124 PolarHBondContact O-N 2.97Å; N121-A124 PolarHBondContact O-N 2.9Å; A124-Q127 WeakPolarHBondContact O-CB 3.42Å; A124-Q127 PolarHBondContact O-N 3.18Å; A124-Q128 PolarHBondContact O-N 3.37Å; A124-Q128 VanDerWaalsContact O-N 3.16Å
125L89.5Confident88.7Confident30 Ų3040.8 Ų40.816%0.15721%0.21CC..Hα-helixtrans-66.2-39.1177.4-68170.6000112.2N121 C122 Q128 V129 N150 L151 F154N121-L125 WeakPolarHBondContact O-CG 3.18Å; N121-L125 PolarHBondContact O-N 3.44Å; C122-L125 PolarHBondContact O-N 2.76Å; L125-Q128 PolarHBondContact O-N 2.97Å; L125-V129 WeakPolarHBondContact O-CG2 3.26Å; L125-V129 PolarHBondContact O-N 3.46Å; L125-N150 HydrophobicContact CD2-CB 4.47Å; L125-L151 HydrophobicContact CB-CD1 3.62Å; L125-L151 HydrophobicContact CD1-CD1 4.22Å; L125-F154 HydrophobicContact CD1-CB 3.64Å; L125-F154 HydrophobicContact CD1-CD1 3.99Å; L125-F154 HydrophobicContact CD1-CD2 3.99Å; L125-F154 HydrophobicContact CD1-CG 3.59Å
126W89.6Confident88.3Confident5 Ų543.5 Ų43.52%0.01922%0.22CC..Hα-helixtrans-64.6-38.5174.7-91.7112.4000112.5C122 M123 Q128 V129 R130 L151 Y155 N205 V207 L208 L231 L435C122-W126 WeakPolarHBondContact O-CB 3.3Å; C122-W126 VanDerWaalsContact O-CD1 3.27Å; C122-W126 PolarHBondContact O-N 3.34Å; M123-W126 PolarHBondContact O-N 3.45Å; W126-Q128 VanDerWaalsContact C-N 3.32Å; W126-Q128 PolarHBondContact O-N 3.47Å; W126-V129 HydrophobicContact CE3-CB 4.41Å; W126-V129 HydrophobicContact CE3-CG1 4.33Å; W126-V129 HydrophobicContact CZ3-CG1 4.26Å; W126-V129 PolarHBondContact O-N 2.89Å; W126-R130 WeakPolarHBondContact O-CB 3.3Å; W126-R130 VanDerWaalsContact O-CG 3.3Å; W126-R130 WeakPolarHBondContact O-CG 3.09Å; W126-R130 PolarHBondContact O-N 3.15Å; W126-L151 HydrophobicContact CD2-CD2 3.99Å; W126-L151 HydrophobicContact CE3-CD2 4.27Å; W126-L151 HydrophobicContact CH2-CD2 4.27Å; W126-L151 HydrophobicContact CZ2-CD2 3.98Å; W126-L151 HydrophobicContact CZ3-CD2 4.4Å; W126-Y155 PolarHBondContact NE1-OH 2.77Å; W126-N205 WeakPolarHBondContact CZ2-O 3.47Å; W126-N205 PolarHBondContact NE1-ND2 3.49Å; W126-V207 WeakPolarHBondContact CH2-O 3.19Å; W126-L208 HydrophobicContact CH2-CB 4.39Å; W126-L208 HydrophobicContact CH2-CD1 3.56Å; W126-L208 HydrophobicContact CZ3-CD1 3.57Å; W126-L231 HydrophobicContact CH2-CD1 3.96Å; W126-L231 HydrophobicContact CZ2-CD1 3.41Å; W126-L231 VanDerWaalsContact CZ2-CD1 3.41Å; W126-L435 HydrophobicContact CD2-CD2 4.3Å; W126-L435 HydrophobicContact CE3-CD2 4.19Å
127Q89.9Confident88Confident110 Ų11041.2 Ų41.251%0.51420%0.204SC..Hα-helixtrans-59.9-43.7174.6-171.2-179.88.300111.1M123 A124 R130 L131 Q432M123-Q127 PolarHBondContact O-N 3.37Å; A124-Q127 WeakPolarHBondContact O-CB 3.42Å; A124-Q127 PolarHBondContact O-N 3.18Å; Q127-R130 PolarHBondContact O-N 3.43Å; Q127-L131 VanDerWaalsContact O-CG 3.3Å; Q127-L131 WeakPolarHBondContact O-CG 3.3Å; Q127-L131 PolarHBondContact O-N 3.45Å; Q127-Q432 PolarHBondContact O-OE1 2.98Å
128Q89.1Confident87.7Confident96 Ų9643.5 Ų43.545%0.44921%0.213SC..Hα-helixtrans-62.3-44.3175.3-68.8176.5-4.400112.5A124 L125 W126 R130 L131 V132A124-Q128 PolarHBondContact O-N 3.37Å; A124-Q128 VanDerWaalsContact O-N 3.16Å; L125-Q128 PolarHBondContact O-N 2.97Å; W126-Q128 VanDerWaalsContact C-N 3.32Å; W126-Q128 PolarHBondContact O-N 3.47Å; Q128-R130 VanDerWaalsContact C-N 3.34Å; Q128-R130 PolarHBondContact O-N 3.29Å; Q128-L131 PolarHBondContact O-N 2.99Å; Q128-V132 PolarHBondContact O-N 2.84Å
129V88.3Confident87.3Confident2 Ų244.7 Ų44.71%0.01222%0.219CC..Hα-helixtrans-60.8-45.6175.3170.40000110.3L125 W126 L131 V132 Q133 I148 L151 L208L125-V129 WeakPolarHBondContact O-CG2 3.26Å; L125-V129 PolarHBondContact O-N 3.46Å; W126-V129 HydrophobicContact CE3-CB 4.41Å; W126-V129 HydrophobicContact CE3-CG1 4.33Å; W126-V129 HydrophobicContact CZ3-CG1 4.26Å; W126-V129 PolarHBondContact O-N 2.89Å; V129-L131 PolarHBondContact O-N 3.3Å; V129-V132 PolarHBondContact O-N 3.46Å; V129-Q133 HydrophobicContact CG1-CG 4.2Å; V129-Q133 VanDerWaalsContact O-CG 3.26Å; V129-Q133 WeakPolarHBondContact O-CG 3.39Å; V129-Q133 PolarHBondContact O-N 2.83Å; V129-I148 HydrophobicContact CG1-CG1 4.33Å; V129-I148 HydrophobicContact CG2-CG1 4.46Å; V129-L151 HydrophobicContact CG2-CB 4.35Å; V129-L151 HydrophobicContact CG2-CD2 4.02Å; V129-L208 HydrophobicContact CG1-CD1 4.36Å
130R88.4Confident86.5Confident5 Ų548.2 Ų48.22%0.01923%0.234CC..Hα-helixtrans-61.4-41.9178.9-73.8-66.5-180-153.17.4113.1W126 Q127 Q128 V132 Q133 V134 L396W126-R130 WeakPolarHBondContact O-CB 3.3Å; W126-R130 VanDerWaalsContact O-CG 3.3Å; W126-R130 WeakPolarHBondContact O-CG 3.09Å; W126-R130 PolarHBondContact O-N 3.15Å; Q127-R130 PolarHBondContact O-N 3.43Å; Q128-R130 VanDerWaalsContact C-N 3.34Å; Q128-R130 PolarHBondContact O-N 3.29Å; R130-V132 PolarHBondContact O-N 3.21Å; R130-Q133 PolarHBondContact O-N 2.87Å; R130-V134 WeakPolarHBondContact O-CG2 3.28Å; R130-V134 PolarHBondContact O-N 2.9Å; R130-L396 PolarHBondContact NH2-O 3.39Å
131L88.1Confident85.6Confident62 Ų6246.6 Ų46.633%0.32523%0.234SC..Hα-helixtrans-55.2-51.3174.1-73.5167.5000111Q127 Q128 V129 Q133 V134 E135 N430 Q432Q127-L131 VanDerWaalsContact O-CG 3.3Å; Q127-L131 WeakPolarHBondContact O-CG 3.3Å; Q127-L131 PolarHBondContact O-N 3.45Å; Q128-L131 PolarHBondContact O-N 2.99Å; V129-L131 PolarHBondContact O-N 3.3Å; L131-Q133 VanDerWaalsContact C-N 3.33Å; L131-Q133 PolarHBondContact O-N 3.13Å; L131-V134 PolarHBondContact O-N 3.06Å; L131-E135 WeakPolarHBondContact O-CG 3.35Å; L131-E135 PolarHBondContact O-N 2.92Å; L131-N430 WeakPolarHBondContact CD2-ND2 3.48Å; L131-Q432 VanDerWaalsContact CD2-NE2 3.26Å
132V86.8Confident84.4Confident40 Ų4054.4 Ų54.424%0.24227%0.267CS..Hα-helixtrans-63.3-38.6178.8175.20000112Q128 V129 R130 E135 R136Q128-V132 PolarHBondContact O-N 2.84Å; V129-V132 PolarHBondContact O-N 3.46Å; R130-V132 PolarHBondContact O-N 3.21Å; V132-E135 PolarHBondContact O-N 2.88Å; V132-R136 VanDerWaalsContact O-CB 3.28Å; V132-R136 WeakPolarHBondContact O-CB 3.48Å; V132-R136 PolarHBondContact O-N 3.12Å
133Q86.1Confident83Confident9 Ų957.5 Ų57.54%0.04228%0.283CS..Hα-helixtrans-62.6-43.2175.8-70.2-171.9-60.900112.1V129 R130 L131 R136 M137 E211 L398V129-Q133 HydrophobicContact CG1-CG 4.2Å; V129-Q133 VanDerWaalsContact O-CG 3.26Å; V129-Q133 WeakPolarHBondContact O-CG 3.39Å; V129-Q133 PolarHBondContact O-N 2.83Å; R130-Q133 PolarHBondContact O-N 2.87Å; L131-Q133 VanDerWaalsContact C-N 3.33Å; L131-Q133 PolarHBondContact O-N 3.13Å; Q133-R136 PolarHBondContact O-N 3.17Å; Q133-M137 PolarHBondContact O-N 3.25Å; Q133-E211 WeakPolarHBondContact CB-OE1 3.32Å; Q133-E211 WeakPolarHBondContact CG-OE1 3.47Å; Q133-E211 PolarHBondContact NE2-OE1 3.42Å; Q133-L398 HydrophobicContact CB-CD1 3.95Å; Q133-L398 HydrophobicContact CB-CD2 4.49Å; Q133-L398 HydrophobicContact CB-CG 4.37Å
134V88.6Confident81.4Confident0 Ų061.6 Ų61.60%030%0.301CS..Hα-helixtrans-66.9-45.1177.2173.60000111R130 L131 R136 M137 R138 L398 Y427 N430 L437R130-V134 WeakPolarHBondContact O-CG2 3.28Å; R130-V134 PolarHBondContact O-N 2.9Å; L131-V134 PolarHBondContact O-N 3.06Å; V134-R136 VanDerWaalsContact C-N 3.3Å; V134-R136 PolarHBondContact O-N 2.71Å; V134-M137 PolarHBondContact O-N 2.83Å; V134-R138 VanDerWaalsContact O-CB 3.29Å; V134-R138 WeakPolarHBondContact O-CB 3.33Å; V134-R138 PolarHBondContact O-N 3.2Å; V134-L398 HydrophobicContact CG2-CD1 4.33Å; V134-L398 HydrophobicContact CG2-CD2 3.9Å; V134-Y427 HydrophobicContact CG1-CD1 4.45Å; V134-Y427 HydrophobicContact CG1-CG 4.47Å; V134-Y427 WeakPolarHBondContact CG1-O 3.48Å; V134-N430 HydrophobicContact CG1-CB 4.12Å; V134-L437 HydrophobicContact CG2-CD1 3.99Å; V134-L437 HydrophobicContact CG2-CD2 4.15Å
135E86.5Confident80.1Confident85 Ų8560.9 Ų60.940%0.39730%0.298SS..Hα-helixtrans-58.7-43.2175.7-72.1179164.300111.4L131 V132 M137 R138 D139L131-E135 WeakPolarHBondContact O-CG 3.35Å; L131-E135 PolarHBondContact O-N 2.92Å; V132-E135 PolarHBondContact O-N 2.88Å; E135-M137 PolarHBondContact O-N 3.35Å; E135-R138 PolarHBondContact O-N 3.49Å; E135-D139 VanDerWaalsContact O-CB 3.28Å; E135-D139 WeakPolarHBondContact O-CB 3.38Å; E135-D139 PolarHBondContact O-N 3.27Å
136R83.9Confident78.9Confident79 Ų7963 Ų6330%0.29832%0.315SS..Hα-helixtrans-58.7-45.9174.3176.9-178.5172.1176.7-4.5112.1V132 Q133 V134 Q140 D143V132-R136 VanDerWaalsContact O-CB 3.28Å; V132-R136 WeakPolarHBondContact O-CB 3.48Å; V132-R136 PolarHBondContact O-N 3.12Å; Q133-R136 PolarHBondContact O-N 3.17Å; V134-R136 VanDerWaalsContact C-N 3.3Å; V134-R136 PolarHBondContact O-N 2.71Å; R136-Q140 WeakPolarHBondContact O-CA 3.5Å; R136-Q140 PolarHBondContact O-N 3.43Å; R136-D143 IonicContact NH1-OD2 3.13Å
137M83.4Confident78.3Confident26 Ų2664 Ų6413%0.12832%0.323CS..Hα-helixtrans-71.9-31.4-179.6-72.6-60.6-70.300113Q133 V134 E135 E211 A216 L398 Y427Q133-M137 PolarHBondContact O-N 3.25Å; V134-M137 PolarHBondContact O-N 2.83Å; E135-M137 PolarHBondContact O-N 3.35Å; M137-E211 VanDerWaalsContact CG-OE2 3.25Å; M137-E211 WeakPolarHBondContact CG-OE2 3.35Å; M137-E211 HydrophobicContact SD-CB 4.4Å; M137-A216 HydrophobicContact CE-CB 3.79Å; M137-L398 HydrophobicContact CB-CD1 4.45Å; M137-L398 HydrophobicContact CG-CD1 3.78Å; M137-Y427 HydrophobicContact CB-CD2 3.8Å; M137-Y427 HydrophobicContact CB-CE2 3.55Å; M137-Y427 HydrophobicContact CE-CE2 4.17Å; M137-Y427 HydrophobicContact CG-CE2 4.17Å
138R84.6Confident77.9Confident56 Ų5661.1 Ų61.121%0.21131%0.31CS..Hα-helixtrans-72.9-46.3177-175.7-171.172.6-165-5112V134 E135 L452V134-R138 VanDerWaalsContact O-CB 3.29Å; V134-R138 WeakPolarHBondContact O-CB 3.33Å; V134-R138 PolarHBondContact O-N 3.2Å; E135-R138 PolarHBondContact O-N 3.49Å; R138-L452 VanDerWaalsContact CD-CD2 3.48Å; R138-L452 HydrophobicContact CG-CD2 4.16Å
139D80.6Confident77.7Confident27 Ų2763 Ų6314%0.14432%0.319CS..Hα-helixtrans-102.3-8.5-169.2-56.4-27.5000113E135 V141 Q455 V459E135-D139 VanDerWaalsContact O-CB 3.28Å; E135-D139 WeakPolarHBondContact O-CB 3.38Å; E135-D139 PolarHBondContact O-N 3.27Å; D139-V141 HydrophobicContact CB-CG2 3.67Å; D139-V141 PolarHBondContact O-N 3.06Å; D139-V141 VanDerWaalsContact O-N 3.07Å; D139-Q455 VanDerWaalsContact OD1-CG 3.28Å; D139-Q455 WeakPolarHBondContact OD1-CG 3.42Å; D139-Q455 PolarHBondContact OD1-NE2 3.38Å; D139-V459 VanDerWaalsContact O-CG2 3.3Å; D139-V459 WeakPolarHBondContact O-CG2 3.09Å
140Q73.9Confident77.6Confident102 Ų10266.7 Ų66.748%0.47734%0.339SS..  trans49.628.3-173.4-59.7179.710.100113.9R136 V459 N460R136-Q140 WeakPolarHBondContact O-CA 3.5Å; R136-Q140 PolarHBondContact O-N 3.43Å; Q140-V459 HydrophobicContact CB-CG1 3.48Å; Q140-V459 VanDerWaalsContact CB-CG1 3.48Å; Q140-V459 HydrophobicContact CG-CG1 3.36Å; Q140-N460 PolarHBondContact NE2-OD1 2.79Å
141V68.5Low77.5Confident84 Ų8466.5 Ų66.551%0.50934%0.338SS..PPolyproline II helixtrans-72.6141.8178.8177.30000109.9D139 D143D139-V141 HydrophobicContact CB-CG2 3.67Å; D139-V141 PolarHBondContact O-N 3.06Å; D139-V141 VanDerWaalsContact O-N 3.07Å; V141-D143 PolarHBondContact O-N 3.24Å
142K62.2Low77.5Confident194 Ų19464.5 Ų64.584%0.84333%0.328SS*.PPolyproline II helixtrans-71.7128.8172.6-71.2-177.7-179.2175.70109.7
143D59Low77.5Confident69 Ų6965.2 Ų65.237%0.36934%0.335SS..PPolyproline II helixtrans-49.2135.9-170.3-153.1-10.6000114.3R136 V141R136-D143 IonicContact NH1-OD2 3.13Å; V141-D143 PolarHBondContact O-N 3.24Å
144Q54.9Low77.6Confident165 Ų16565.5 Ų65.577%0.77134%0.336SS*.  trans-98.488.3160.5-64.5-17612.800106.2C146Q144-C146 PolarHBondContact O-N 3.28Å
145G59.8Low77.6Confident32 Ų3265.5 Ų65.533%0.3334%0.336SS..THydrogen-bonded Turntrans-59.28.6-166.400000118.5S147 I148 E149G145-S147 PolarHBondContact O-N 3.41Å; G145-I148 PolarHBondContact O-N 2.74Å; G145-E149 WeakPolarHBondContact O-CG 3.38Å; G145-E149 PolarHBondContact O-N 2.81Å
146C65.3Low77.7Confident75 Ų7562.5 Ų62.551%0.50733%0.325SS..Hα-helixtrans-56.5-41.2-177.5-172.10000113.3Q144 I148 E149 N150Q144-C146 PolarHBondContact O-N 3.28Å; C146-I148 PolarHBondContact O-N 3.08Å; C146-E149 PolarHBondContact O-N 3.32Å; C146-N150 PolarHBondContact O-N 3.3Å; C146-N150 PolarHBondContact O-ND2 3.49Å
147S75.8Confident77.8Confident27 Ų2760.3 Ų60.319%0.18932%0.318CS..Hα-helixtrans-69-37-175.5-58.30000113.5G145 L151G145-S147 PolarHBondContact O-N 3.41Å; S147-L151 PolarHBondContact O-N 3.01Å
148I83.1Confident78Confident49 Ų4959.1 Ų59.125%0.25131%0.313SS..Hα-helixtrans-72.3-37.3177.5-62.5172.1000110.2V129 G145 C146 N150 L151 V152 L208V129-I148 HydrophobicContact CG1-CG1 4.33Å; V129-I148 HydrophobicContact CG2-CG1 4.46Å; G145-I148 PolarHBondContact O-N 2.74Å; C146-I148 PolarHBondContact O-N 3.08Å; I148-N150 VanDerWaalsContact C-N 3.32Å; I148-N150 PolarHBondContact O-N 2.9Å; I148-L151 PolarHBondContact O-N 2.87Å; I148-V152 HydrophobicContact CG2-CG2 4.24Å; I148-V152 WeakPolarHBondContact O-CG2 3.45Å; I148-V152 PolarHBondContact O-N 3.41Å; I148-L208 HydrophobicContact CD1-CD2 4.03Å; I148-L208 HydrophobicContact CG2-CD2 4.29Å
149E83.6Confident78.3Confident136 Ų13656.6 Ų56.664%0.63630%0.303SS*.Hα-helixtrans-60.2-41177.3-72.6179.4-178.200112.3G145 C146 L151 V152 S153G145-E149 WeakPolarHBondContact O-CG 3.38Å; G145-E149 PolarHBondContact O-N 2.81Å; C146-E149 PolarHBondContact O-N 3.32Å; E149-L151 PolarHBondContact O-N 3.25Å; E149-V152 PolarHBondContact O-N 3.45Å; E149-S153 WeakPolarHBondContact O-CB 3.42Å; E149-S153 PolarHBondContact O-N 2.99Å
150N85.6Confident78.6Confident79 Ų7959 Ų5942%0.42231%0.311SS..Hα-helixtrans-60.4-44.2174.7-70.1-21.4000111.9L125 C146 I148 S153 F154L125-N150 HydrophobicContact CD2-CB 4.47Å; C146-N150 PolarHBondContact O-N 3.3Å; C146-N150 PolarHBondContact O-ND2 3.49Å; I148-N150 VanDerWaalsContact C-N 3.32Å; I148-N150 PolarHBondContact O-N 2.9Å; N150-S153 PolarHBondContact O-N 3.01Å; N150-F154 WeakPolarHBondContact O-CB 3.36Å; N150-F154 PolarHBondContact O-N 3.18Å
151L87.6Confident79.2Confident0 Ų054.3 Ų54.30%029%0.289CS..Hα-helixtrans-64.5-44.4177.8-171.265.7000111.7L125 W126 V129 S147 I148 E149 S153 F154 Y155 L231L125-L151 HydrophobicContact CB-CD1 3.62Å; L125-L151 HydrophobicContact CD1-CD1 4.22Å; W126-L151 HydrophobicContact CD2-CD2 3.99Å; W126-L151 HydrophobicContact CE3-CD2 4.27Å; W126-L151 HydrophobicContact CH2-CD2 4.27Å; W126-L151 HydrophobicContact CZ2-CD2 3.98Å; W126-L151 HydrophobicContact CZ3-CD2 4.4Å; V129-L151 HydrophobicContact CG2-CB 4.35Å; V129-L151 HydrophobicContact CG2-CD2 4.02Å; S147-L151 PolarHBondContact O-N 3.01Å; I148-L151 PolarHBondContact O-N 2.87Å; E149-L151 PolarHBondContact O-N 3.25Å; L151-S153 PolarHBondContact O-N 3.42Å; L151-F154 PolarHBondContact O-N 3.27Å; L151-Y155 HydrophobicContact CD1-CD2 4.14Å; L151-Y155 HydrophobicContact CD1-CE2 3.66Å; L151-Y155 HydrophobicContact CD2-CE2 4.44Å; L151-Y155 HydrophobicContact CG-CD2 4.05Å; L151-Y155 HydrophobicContact CG-CE2 3.82Å; L151-Y155 VanDerWaalsContact O-CD2 3.25Å; L151-Y155 WeakPolarHBondContact O-CD2 3.24Å; L151-Y155 PolarHBondContact O-N 3.27Å; L151-Y155 VanDerWaalsContact O-N 3.08Å; L151-L231 HydrophobicContact CD2-CD1 3.46Å; L151-L231 VanDerWaalsContact CD2-CD1 3.46Å; L151-L231 HydrophobicContact CD2-CD2 4.07Å; L151-L231 HydrophobicContact CD2-CG 4.4Å; L151-L231 HydrophobicContact CG-CD1 3.95Å; L151-L231 HydrophobicContact CG-CD2 4.42Å
152V87.4Confident80.3Confident21 Ų2150.3 Ų50.313%0.12727%0.265CS..Hα-helixtrans-62.4-41.8176.2171.50000111.6I148 E149 S156 L231 R233I148-V152 HydrophobicContact CG2-CG2 4.24Å; I148-V152 WeakPolarHBondContact O-CG2 3.45Å; I148-V152 PolarHBondContact O-N 3.41Å; E149-V152 PolarHBondContact O-N 3.45Å; V152-S156 VanDerWaalsContact O-CB 3.28Å; V152-S156 WeakPolarHBondContact O-CB 3.49Å; V152-S156 PolarHBondContact O-N 3.48Å; V152-S156 PolarHBondContact O-OG 2.74Å; V152-L231 HydrophobicContact CG2-CD2 3.8Å; V152-R233 HydrophobicContact CG1-CG 4.45Å
153S86.2Confident81.6Confident54 Ų5441.3 Ų41.338%0.37823%0.227SC..Hα-helixtrans-61.1-47.6176.5-173.80000111E149 N150 L151 S156 N157E149-S153 WeakPolarHBondContact O-CB 3.42Å; E149-S153 PolarHBondContact O-N 2.99Å; N150-S153 PolarHBondContact O-N 3.01Å; L151-S153 PolarHBondContact O-N 3.42Å; S153-S156 PolarHBondContact O-N 3.44Å; S153-N157 WeakPolarHBondContact O-CB 3.41Å; S153-N157 VanDerWaalsContact O-CG 3.24Å; S153-N157 PolarHBondContact O-N 3.33Å; S153-N157 PolarHBondContact O-ND2 3.25Å; S153-N157 PolarHBondContact OG-ND2 3.39Å
154F88.5Confident83Confident16 Ų1638.5 Ų38.57%0.0721%0.212CC..Hα-helixtrans-56.5-55.1177.5176.9-98.3000112.3F117 N121 C122 L125 N150 L151 S156 N157 M158 L202F117-F154 HydrophobicContact CE1-CE2 4.1Å; N121-F154 HydrophobicContact CB-CE2 3.7Å; N121-F154 HydrophobicContact CB-CZ 3.74Å; C122-F154 HydrophobicContact CB-CE1 4.15Å; L125-F154 HydrophobicContact CD1-CB 3.64Å; L125-F154 HydrophobicContact CD1-CD1 3.99Å; L125-F154 HydrophobicContact CD1-CD2 3.99Å; L125-F154 HydrophobicContact CD1-CG 3.59Å; N150-F154 WeakPolarHBondContact O-CB 3.36Å; N150-F154 PolarHBondContact O-N 3.18Å; L151-F154 PolarHBondContact O-N 3.27Å; F154-S156 VanDerWaalsContact C-N 3.28Å; F154-S156 PolarHBondContact O-N 3.32Å; F154-N157 PolarHBondContact O-N 3.31Å; F154-M158 HydrophobicContact CD2-CG 4.21Å; F154-M158 HydrophobicContact CE1-CG 4.21Å; F154-M158 HydrophobicContact CE2-CE 4.28Å; F154-M158 HydrophobicContact CE2-CG 3.85Å; F154-M158 HydrophobicContact CE2-SD 4.49Å; F154-M158 HydrophobicContact CZ-CG 3.84Å; F154-M158 WeakPolarHBondContact O-CB 3.36Å; F154-M158 WeakPolarHBondContact O-CG 3.37Å; F154-M158 PolarHBondContact O-N 2.99Å; F154-L202 HydrophobicContact CE1-CD1 4.41Å
155Y90.2Very high84.7Confident0 Ų030.8 Ų30.80%018%0.176CC..Hα-helixtrans-59.3-40.5177.9-81.3-69.8000112C122 W126 L151 T159 L202 M203 N205 C206 L231C122-Y155 PolarHBondContact SG-OH 3.48Å; W126-Y155 PolarHBondContact NE1-OH 2.77Å; L151-Y155 HydrophobicContact CD1-CD2 4.14Å; L151-Y155 HydrophobicContact CD1-CE2 3.66Å; L151-Y155 HydrophobicContact CD2-CE2 4.44Å; L151-Y155 HydrophobicContact CG-CD2 4.05Å; L151-Y155 HydrophobicContact CG-CE2 3.82Å; L151-Y155 VanDerWaalsContact O-CD2 3.25Å; L151-Y155 WeakPolarHBondContact O-CD2 3.24Å; L151-Y155 PolarHBondContact O-N 3.27Å; L151-Y155 VanDerWaalsContact O-N 3.08Å; Y155-T159 WeakPolarHBondContact O-CB 2.99Å; Y155-T159 PolarHBondContact O-N 3.17Å; Y155-T159 PolarHBondContact O-OG1 3.49Å; Y155-L202 HydrophobicContact CD1-CD1 3.86Å; Y155-L202 HydrophobicContact CD1-CD2 4.5Å; Y155-L202 HydrophobicContact CD1-CG 3.99Å; Y155-L202 HydrophobicContact CE1-CD1 3.83Å; Y155-L202 HydrophobicContact CE1-CG 4.16Å; Y155-L202 VanDerWaalsContact CE1-O 3.26Å; Y155-L202 WeakPolarHBondContact CE1-O 3.42Å; Y155-M203 HydrophobicContact CD1-CE 3.75Å; Y155-M203 HydrophobicContact CE1-CE 4.39Å; Y155-N205 PolarHBondContact OH-ND2 2.95Å; Y155-N205 VanDerWaalsContact OH-ND2 3.17Å; Y155-N205 PolarHBondContact OH-O 3.4Å; Y155-N205 PolarHBondContact OH-OD1 3.4Å; Y155-C206 HydrophobicContact CD1-CB 3.97Å; Y155-C206 HydrophobicContact CE1-CB 3.81Å; Y155-C206 HydrophobicContact CG-CB 4.39Å; Y155-L231 HydrophobicContact CD2-CB 3.61Å; Y155-L231 HydrophobicContact CD2-CD1 4.06Å; Y155-L231 HydrophobicContact CD2-CG 4.47Å; Y155-L231 HydrophobicContact CE2-CB 4.03Å; Y155-L231 HydrophobicContact CE2-CD1 3.62Å; Y155-L231 HydrophobicContact CE2-CG 4.48Å; Y155-L231 HydrophobicContact CG-CB 4.29Å
156S86.7Confident86.1Confident22 Ų2229.4 Ų29.415%0.15416%0.162CC..Hα-helixtrans-64.8-42.6-179.3-62.20000112.2V152 S153 F154 Y160 R233V152-S156 VanDerWaalsContact O-CB 3.28Å; V152-S156 WeakPolarHBondContact O-CB 3.49Å; V152-S156 PolarHBondContact O-N 3.48Å; V152-S156 PolarHBondContact O-OG 2.74Å; S153-S156 PolarHBondContact O-N 3.44Å; F154-S156 VanDerWaalsContact C-N 3.28Å; F154-S156 PolarHBondContact O-N 3.32Å; S156-Y160 WeakPolarHBondContact O-CB 3.29Å; S156-Y160 PolarHBondContact O-N 3.43Å; S156-R233 WeakPolarHBondContact OG-CG 3.16Å
157N86.2Confident87.3Confident32 Ų3226 Ų2617%0.17114%0.139CC..Hα-helixtrans-69.4-47.9-179.6-68.1-21.7000111.5S153 F154 T159 Y160 V161S153-N157 WeakPolarHBondContact O-CB 3.41Å; S153-N157 VanDerWaalsContact O-CG 3.24Å; S153-N157 PolarHBondContact O-N 3.33Å; S153-N157 PolarHBondContact O-ND2 3.25Å; S153-N157 PolarHBondContact OG-ND2 3.39Å; F154-N157 PolarHBondContact O-N 3.31Å; N157-T159 VanDerWaalsContact C-N 3.35Å; N157-T159 PolarHBondContact O-N 2.81Å; N157-Y160 WeakPolarHBondContact O-CA 3.4Å; N157-Y160 WeakPolarHBondContact O-CB 3.38Å; N157-Y160 PolarHBondContact O-N 3.07Å; N157-V161 WeakPolarHBondContact O-CG2 3.1Å; N157-V161 PolarHBondContact O-N 2.9Å
158M88.9Confident87.9Confident1 Ų128.6 Ų28.61%0.00515%0.145CC..Hα-helixtrans-62.3-43.3178.1-67.1-58.2133.300111.2Y60 Y114 F117 F154 Y160 V161 L162 L202Y60-M158 HydrophobicContact CE2-CE 4.41Å; Y114-M158 HydrophobicContact CE2-CB 4.35Å; Y114-M158 HydrophobicContact CE2-SD 3.92Å; Y114-M158 WeakPolarHBondContact OH-CB 3.48Å; Y114-M158 PolarHBondContact OH-O 2.81Å; F117-M158 HydrophobicContact CD1-SD 4.4Å; F117-M158 HydrophobicContact CE1-CE 3.95Å; F117-M158 HydrophobicContact CE1-SD 4.17Å; F154-M158 HydrophobicContact CD2-CG 4.21Å; F154-M158 HydrophobicContact CE1-CG 4.21Å; F154-M158 HydrophobicContact CE2-CE 4.28Å; F154-M158 HydrophobicContact CE2-CG 3.85Å; F154-M158 HydrophobicContact CE2-SD 4.49Å; F154-M158 HydrophobicContact CZ-CG 3.84Å; F154-M158 WeakPolarHBondContact O-CB 3.36Å; F154-M158 WeakPolarHBondContact O-CG 3.37Å; F154-M158 PolarHBondContact O-N 2.99Å; M158-Y160 VanDerWaalsContact C-N 3.26Å; M158-Y160 PolarHBondContact O-N 3.03Å; M158-V161 PolarHBondContact O-N 3.28Å; M158-L162 PolarHBondContact O-N 3.4Å; M158-L202 HydrophobicContact CB-CD1 4.49Å; M158-L202 HydrophobicContact CB-CD2 3.73Å
159T89.8Confident88.2Confident3 Ų326.2 Ų26.22%0.01813%0.133CC..Hα-helixtrans-59.4-34.8172.1-56.60000112.6W4 Y155 N157 A163 L199 M203W4-T159 WeakPolarHBondContact CZ2-O 3.25Å; W4-T159 PolarHBondContact NE1-O 3.24Å; Y155-T159 WeakPolarHBondContact O-CB 2.99Å; Y155-T159 PolarHBondContact O-N 3.17Å; Y155-T159 PolarHBondContact O-OG1 3.49Å; N157-T159 VanDerWaalsContact C-N 3.35Å; N157-T159 PolarHBondContact O-N 2.81Å; T159-A163 WeakPolarHBondContact O-CB 3.29Å; T159-A163 PolarHBondContact O-N 3.19Å; T159-L199 HydrophobicContact CG2-CD1 4.01Å; T159-M203 WeakPolarHBondContact OG1-CE 3.31Å
160Y87.3Confident88.5Confident79 Ų7919.8 Ų19.831%0.3110%0.102SC..Hα-helixtrans-69.8-44.7176.6179.2-76.8000111.5S44 L48 P49 S156 N157 M158 L162 A163 V164S44-Y160 WeakPolarHBondContact CA-OH 3.42Å; S44-Y160 VanDerWaalsContact CB-OH 3.29Å; S44-Y160 WeakPolarHBondContact CB-OH 3.19Å; L48-Y160 HydrophobicContact CD2-CE1 4.3Å; P49-Y160 HydrophobicContact CG-CD1 3.16Å; P49-Y160 HydrophobicContact CG-CD2 4.3Å; P49-Y160 HydrophobicContact CG-CE1 3.39Å; P49-Y160 HydrophobicContact CG-CE2 4.44Å; P49-Y160 HydrophobicContact CG-CG 3.67Å; S156-Y160 WeakPolarHBondContact O-CB 3.29Å; S156-Y160 PolarHBondContact O-N 3.43Å; N157-Y160 WeakPolarHBondContact O-CA 3.4Å; N157-Y160 WeakPolarHBondContact O-CB 3.38Å; N157-Y160 PolarHBondContact O-N 3.07Å; M158-Y160 VanDerWaalsContact C-N 3.26Å; M158-Y160 PolarHBondContact O-N 3.03Å; Y160-L162 VanDerWaalsContact C-N 3.33Å; Y160-L162 PolarHBondContact O-N 3.35Å; Y160-A163 WeakPolarHBondContact O-CA 3.1Å; Y160-A163 VanDerWaalsContact O-CB 3.26Å; Y160-A163 WeakPolarHBondContact O-CB 3.33Å; Y160-A163 PolarHBondContact O-N 3.36Å; Y160-V164 HydrophobicContact CD1-CG2 4.04Å; Y160-V164 HydrophobicContact CE1-CG2 3.59Å; Y160-V164 PolarHBondContact O-N 3.09Å
161V87.4Confident88.5Confident3 Ų316.2 Ų16.22%0.0189%0.085CC..Hα-helixtrans-56.3-48.8179.8171.80000110.7L48 F50 M67 N157 M158 A163 V164 L165L48-V161 HydrophobicContact CD1-CG1 4.44Å; L48-V161 HydrophobicContact CD2-CG2 4.48Å; F50-V161 HydrophobicContact CD1-CG2 4.36Å; F50-V161 HydrophobicContact CE1-CG1 4.42Å; F50-V161 HydrophobicContact CE1-CG2 3.82Å; F50-V161 HydrophobicContact CZ-CG1 4.12Å; F50-V161 HydrophobicContact CZ-CG2 3.96Å; M67-V161 HydrophobicContact CG-CG1 4.3Å; M67-V161 HydrophobicContact SD-CG1 4.32Å; N157-V161 WeakPolarHBondContact O-CG2 3.1Å; N157-V161 PolarHBondContact O-N 2.9Å; M158-V161 PolarHBondContact O-N 3.28Å; V161-A163 VanDerWaalsContact C-N 3.28Å; V161-A163 PolarHBondContact O-N 3.5Å; V161-V164 PolarHBondContact O-N 3.2Å; V161-L165 PolarHBondContact O-N 3.36Å
162L90.7Very high88.5Confident0 Ų016.3 Ų16.30%09%0.085CC..Hα-helixtrans-65.1-29.9175.1-72.8-178000113.2W4 L111 Y114 M158 Y160 V164 L165 G166 V195 A198 L199W4-L162 HydrophobicContact CH2-CB 3.89Å; W4-L162 VanDerWaalsContact CZ2-C 3.43Å; W4-L162 HydrophobicContact CZ2-CB 3.62Å; L111-L162 HydrophobicContact CD2-CD2 3.88Å; Y114-L162 HydrophobicContact CD1-CD1 4.33Å; Y114-L162 HydrophobicContact CD1-CD2 4.22Å; Y114-L162 HydrophobicContact CD1-CG 4.47Å; Y114-L162 HydrophobicContact CD2-CD2 4.49Å; Y114-L162 HydrophobicContact CE1-CD1 3.46Å; Y114-L162 VanDerWaalsContact CE1-CD1 3.46Å; Y114-L162 HydrophobicContact CE1-CD2 4.03Å; Y114-L162 HydrophobicContact CE1-CG 3.79Å; Y114-L162 HydrophobicContact CE2-CD2 4.28Å; Y114-L162 HydrophobicContact CE2-CG 4.01Å; Y114-L162 HydrophobicContact CG-CD2 4.44Å; Y114-L162 VanDerWaalsContact CZ-CG 3.49Å; Y114-L162 VanDerWaalsContact OH-CD1 3.28Å; Y114-L162 WeakPolarHBondContact OH-CD1 3.28Å; Y114-L162 WeakPolarHBondContact OH-CG 3.34Å; M158-L162 PolarHBondContact O-N 3.4Å; Y160-L162 VanDerWaalsContact C-N 3.33Å; Y160-L162 PolarHBondContact O-N 3.35Å; L162-V164 VanDerWaalsContact C-N 3.35Å; L162-V164 PolarHBondContact O-N 3.35Å; L162-L165 PolarHBondContact O-N 2.8Å; L162-G166 PolarHBondContact O-N 3.22Å; L162-V195 HydrophobicContact CD2-CG1 4.38Å; L162-A198 HydrophobicContact CD1-CB 4.22Å; L162-L199 HydrophobicContact CD1-CB 4.05Å; L162-L199 HydrophobicContact CD1-CD1 4.46Å
163A89.8Confident88.4Confident5 Ų515.9 Ų15.94%0.0418%0.081CC..Hα-helixtrans-65-41.4-179.300000111.4T3 W4 T159 Y160 V161 A167T3-A163 HydrophobicContact CG2-CB 4.02Å; T3-A163 WeakPolarHBondContact CG2-O 3.4Å; W4-A163 HydrophobicContact CD2-CB 4.37Å; W4-A163 HydrophobicContact CZ2-CB 3.84Å; T159-A163 WeakPolarHBondContact O-CB 3.29Å; T159-A163 PolarHBondContact O-N 3.19Å; Y160-A163 WeakPolarHBondContact O-CA 3.1Å; Y160-A163 VanDerWaalsContact O-CB 3.26Å; Y160-A163 WeakPolarHBondContact O-CB 3.33Å; Y160-A163 PolarHBondContact O-N 3.36Å; V161-A163 VanDerWaalsContact C-N 3.28Å; V161-A163 PolarHBondContact O-N 3.5Å; A163-A167 VanDerWaalsContact O-CB 3.26Å; A163-A167 WeakPolarHBondContact O-CB 3.25Å; A163-A167 PolarHBondContact O-N 3.42Å
164V88.4Confident88.3Confident9 Ų914.6 Ų14.66%0.0557%0.068CC..Hα-helixtrans-64.3-46178.6-176.90000110.1L48 M71 Y160 V161 L162 A167 R168L48-V164 HydrophobicContact CD2-CB 4.1Å; L48-V164 HydrophobicContact CD2-CG1 4.39Å; L48-V164 HydrophobicContact CD2-CG2 3.94Å; M71-V164 HydrophobicContact CE-CG1 3.57Å; Y160-V164 HydrophobicContact CD1-CG2 4.04Å; Y160-V164 HydrophobicContact CE1-CG2 3.59Å; Y160-V164 PolarHBondContact O-N 3.09Å; V161-V164 PolarHBondContact O-N 3.2Å; L162-V164 VanDerWaalsContact C-N 3.35Å; L162-V164 PolarHBondContact O-N 3.35Å; V164-A167 PolarHBondContact O-N 3.48Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 2.87Å; V164-R168 VanDerWaalsContact O-N 3.09Å
165L89.9Confident88Confident3 Ų316 Ų162%0.0168%0.076CC..Hα-helixtrans-62.3-48.5177-179.261000111.8M67 T70 M71 L107 L111 V161 L162 A167 R168 L169 V195M67-L165 HydrophobicContact SD-CD2 4.32Å; T70-L165 HydrophobicContact CG2-CD1 4.24Å; M71-L165 HydrophobicContact SD-CB 4.47Å; M71-L165 HydrophobicContact SD-CD1 3.75Å; L107-L165 HydrophobicContact CD1-CD1 4.31Å; L107-L165 HydrophobicContact CD1-CD2 3.87Å; L107-L165 HydrophobicContact CD1-CG 4.46Å; L111-L165 HydrophobicContact CD2-CD2 4.15Å; V161-L165 PolarHBondContact O-N 3.36Å; L162-L165 PolarHBondContact O-N 2.8Å; L165-A167 PolarHBondContact O-N 2.94Å; L165-R168 PolarHBondContact O-N 3.48Å; L165-L169 HydrophobicContact CD1-CD1 4.15Å; L165-L169 HydrophobicContact CD1-CG 4.43Å; L165-L169 HydrophobicContact CG-CD1 4.12Å; L165-L169 WeakPolarHBondContact O-CG 3.28Å; L165-L169 PolarHBondContact O-N 3.35Å; L165-V195 HydrophobicContact CD2-CG2 4.01Å; L165-V195 HydrophobicContact CG-CG2 4.2Å
166G90.5Very high87.7Confident3 Ų316 Ų163%0.0318%0.076CC..Hα-helixtrans-61.8-39.7179.100000113.2L162 Q170L162-G166 PolarHBondContact O-N 3.22Å; G166-Q170 WeakPolarHBondContact O-CB 3.1Å; G166-Q170 PolarHBondContact O-N 3.32Å
167A89.6Confident87.2Confident3 Ų316.6 Ų16.63%0.0258%0.079CC..Hα-helixtrans-66.5-42.8176.200000112.6T3 L37 V41 A163 V164 L165 Q170 G171T3-A167 HydrophobicContact CG2-CB 3.65Å; L37-A167 HydrophobicContact CD2-CB 4.3Å; V41-A167 HydrophobicContact CG2-CB 3.4Å; A163-A167 VanDerWaalsContact O-CB 3.26Å; A163-A167 WeakPolarHBondContact O-CB 3.25Å; A163-A167 PolarHBondContact O-N 3.42Å; V164-A167 PolarHBondContact O-N 3.48Å; L165-A167 PolarHBondContact O-N 2.94Å; A167-Q170 PolarHBondContact O-N 3.19Å; A167-G171 PolarHBondContact O-N 3.5Å
168R88.7Confident86.8Confident82 Ų8217.9 Ų17.931%0.3099%0.088SC..Hα-helixtrans-66.2-39177.6-71.7-161-169.8-177.1-1.7112.5V41 M71 L74 Y78 V164 L165 F172V41-R168 HydrophobicContact CG1-CG 3.79Å; V41-R168 HydrophobicContact CG2-CG 4.16Å; M71-R168 VanDerWaalsContact CE-CD 3.41Å; M71-R168 HydrophobicContact CE-CG 4.26Å; M71-R168 VanDerWaalsContact CE-NE 3.3Å; L74-R168 HydrophobicContact CD2-CB 3.78Å; Y78-R168 PolarHBondContact OH-O 3.45Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 2.87Å; V164-R168 VanDerWaalsContact O-N 3.09Å; L165-R168 PolarHBondContact O-N 3.48Å; R168-F172 WeakPolarHBondContact O-CB 3.43Å; R168-F172 PolarHBondContact O-N 3.44Å
169L90.1Very high86.2Confident0 Ų022.1 Ų22.10%011%0.111CC..Hα-helixtrans-66.8-40.7174.5-75.7170.3000111.9L74 F102 L107 L165 F172 R173 V188 V195L74-L169 HydrophobicContact CD1-CD2 3.87Å; L74-L169 HydrophobicContact CD2-CD2 3.97Å; L74-L169 HydrophobicContact CD2-CG 4.13Å; F102-L169 HydrophobicContact CE1-CD2 4.37Å; L107-L169 HydrophobicContact CD1-CD1 4.41Å; L107-L169 HydrophobicContact CD2-CD1 4.08Å; L165-L169 HydrophobicContact CD1-CD1 4.15Å; L165-L169 HydrophobicContact CD1-CG 4.43Å; L165-L169 HydrophobicContact CG-CD1 4.12Å; L165-L169 WeakPolarHBondContact O-CG 3.28Å; L165-L169 PolarHBondContact O-N 3.35Å; L169-F172 WeakPolarHBondContact O-CB 3.32Å; L169-F172 PolarHBondContact O-N 2.73Å; L169-R173 VanDerWaalsContact O-CB 3.29Å; L169-R173 WeakPolarHBondContact O-CB 3.5Å; L169-R173 PolarHBondContact O-N 2.91Å; L169-V188 HydrophobicContact CD2-CG1 4.36Å; L169-V195 HydrophobicContact CD1-CG2 3.74Å
170Q88Confident85.6Confident0 Ų025.5 Ų25.50%013%0.125CC..Hα-helixtrans-65.8-40.8176.4-176.762.626.900112.2L7 T10 Y30 L37 G166 A167 F172 R173 Y174L7-Q170 HydrophobicContact CD2-CB 3.55Å; L7-Q170 HydrophobicContact CD2-CG 3.75Å; T10-Q170 HydrophobicContact CG2-CG 4.29Å; Y30-Q170 PolarHBondContact OH-NE2 3.45Å; L37-Q170 HydrophobicContact CD1-CB 4.15Å; L37-Q170 HydrophobicContact CD1-CG 3.77Å; G166-Q170 WeakPolarHBondContact O-CB 3.1Å; G166-Q170 PolarHBondContact O-N 3.32Å; A167-Q170 PolarHBondContact O-N 3.19Å; Q170-F172 VanDerWaalsContact C-N 3.26Å; Q170-F172 PolarHBondContact O-N 3.45Å; Q170-R173 PolarHBondContact O-N 3.06Å; Q170-Y174 WeakPolarHBondContact O-CB 3.24Å; Q170-Y174 PolarHBondContact O-N 3.17Å
171G86.4Confident85.1Confident5 Ų528.9 Ų28.95%0.05214%0.142CC..Hα-helixtrans-59.5-39.2171.800000112.1A167 Y174 D175A167-G171 PolarHBondContact O-N 3.5Å; G171-Y174 WeakPolarHBondContact O-CB 3.46Å; G171-Y174 PolarHBondContact O-N 3.26Å; G171-D175 PolarHBondContact O-N 3.48Å
172F87.3Confident84.4Confident1 Ų131.3 Ų31.30%0.00415%0.152CC..Hα-helixtrans-69.1-45.2-177-178.2-122.6000110.3L74 L77 Y78 M81 F95 L99 R168 L169 Q170 Y174 D175 L176 V188L74-F172 HydrophobicContact CD1-CD1 4.11Å; L74-F172 HydrophobicContact CD1-CE1 4.46Å; L74-F172 HydrophobicContact CD1-CG 4.25Å; L77-F172 HydrophobicContact CB-CE2 4.3Å; L77-F172 HydrophobicContact CB-CZ 3.96Å; Y78-F172 AromaticContact CD1-CD2 3.82Å; Y78-F172 HydrophobicContact CD1-CD2 3.82Å; Y78-F172 HydrophobicContact CD1-CE2 4.48Å; Y78-F172 HydrophobicContact CD2-CB 4.46Å; Y78-F172 AromaticContact CD2-CD2 3.77Å; Y78-F172 HydrophobicContact CD2-CD2 3.77Å; Y78-F172 HydrophobicContact CD2-CE2 4.41Å; Y78-F172 HydrophobicContact CD2-CG 4.36Å; Y78-F172 HydrophobicContact CE1-CB 4.1Å; Y78-F172 AromaticContact CE1-CD2 3.76Å; Y78-F172 HydrophobicContact CE1-CD2 3.76Å; Y78-F172 HydrophobicContact CE1-CG 4.42Å; Y78-F172 HydrophobicContact CE2-CB 3.56Å; Y78-F172 AromaticContact CE2-CD2 3.7Å; Y78-F172 HydrophobicContact CE2-CD2 3.7Å; Y78-F172 AromaticContact CE2-CG 3.92Å; Y78-F172 HydrophobicContact CE2-CG 3.92Å; Y78-F172 AromaticContact CG-CD2 3.86Å; Y78-F172 HydrophobicContact CG-CD2 3.86Å; Y78-F172 HydrophobicContact CG-CE2 4.32Å; Y78-F172 VanDerWaalsContact CZ-CA 3.43Å; Y78-F172 AromaticContact CZ-CD2 3.74Å; Y78-F172 AromaticContact CZ-CG 4Å; Y78-F172 WeakPolarHBondContact OH-CA 3.5Å; Y78-F172 WeakPolarHBondContact OH-CB 3.3Å; Y78-F172 PolarHBondContact OH-N 3.48Å; M81-F172 HydrophobicContact CB-CE2 4.46Å; M81-F172 HydrophobicContact SD-CD2 4.22Å; M81-F172 HydrophobicContact SD-CE2 3.9Å; F95-F172 HydrophobicContact CZ-CZ 4.17Å; L99-F172 HydrophobicContact CD1-CE1 3.45Å; L99-F172 VanDerWaalsContact CD1-CE1 3.45Å; L99-F172 HydrophobicContact CD1-CZ 3.74Å; R168-F172 WeakPolarHBondContact O-CB 3.43Å; R168-F172 PolarHBondContact O-N 3.44Å; L169-F172 WeakPolarHBondContact O-CB 3.32Å; L169-F172 PolarHBondContact O-N 2.73Å; Q170-F172 VanDerWaalsContact C-N 3.26Å; Q170-F172 PolarHBondContact O-N 3.45Å; F172-Y174 VanDerWaalsContact C-N 3.32Å; F172-Y174 PolarHBondContact O-N 3.43Å; F172-D175 PolarHBondContact O-N 3.44Å; F172-L176 HydrophobicContact CD1-CD1 3.83Å; F172-L176 HydrophobicContact CD2-CD1 4.38Å; F172-L176 HydrophobicContact CE1-CD1 3.46Å; F172-L176 VanDerWaalsContact CE1-CD1 3.46Å; F172-L176 HydrophobicContact CE1-CG 4.48Å; F172-L176 HydrophobicContact CE2-CD1 4.04Å; F172-L176 HydrophobicContact CE2-CG 4.25Å; F172-L176 HydrophobicContact CG-CD1 4.29Å; F172-L176 HydrophobicContact CZ-CD1 3.57Å; F172-L176 HydrophobicContact CZ-CG 4.25Å; F172-L176 WeakPolarHBondContact O-CB 3.45Å; F172-L176 WeakPolarHBondContact O-CG 3.36Å; F172-L176 PolarHBondContact O-N 3.03Å; F172-V188 HydrophobicContact CD1-CG1 4.35Å; F172-V188 HydrophobicContact CD1-CG2 3.94Å; F172-V188 HydrophobicContact CE1-CG2 4.07Å
173R86.5Confident83.7Confident12 Ų1232.5 Ų32.55%0.04516%0.157CC..Hα-helixtrans-56.8-44172.2-177.7-176.4-178-156.61.2111.7N11 L169 Q170 L176 T177 D186 V188N11-R173 PolarHBondContact OD1-NH1 3.11Å; L169-R173 VanDerWaalsContact O-CB 3.29Å; L169-R173 WeakPolarHBondContact O-CB 3.5Å; L169-R173 PolarHBondContact O-N 2.91Å; Q170-R173 PolarHBondContact O-N 3.06Å; R173-L176 PolarHBondContact O-N 2.92Å; R173-T177 WeakPolarHBondContact O-CB 3.36Å; R173-T177 WeakPolarHBondContact O-CG2 3.35Å; R173-T177 PolarHBondContact O-N 3.28Å; R173-T177 PolarHBondContact O-OG1 3.02Å; R173-D186 IonicContact CZ-OD2 2.86Å; R173-D186 IonicContact NE-OD1 2.94Å; R173-D186 IonicContact NE-OD2 3.18Å; R173-D186 PolarHBondContact NE-OD2 2.96Å; R173-D186 IonicContact NH2-OD2 3.98Å; R173-D186 PolarHBondContact NH2-OD2 3.33Å; R173-V188 HydrophobicContact CB-CB 4.02Å; R173-V188 HydrophobicContact CB-CG1 4.04Å; R173-V188 HydrophobicContact CG-CB 4.17Å
174Y83.3Confident82.9Confident27 Ų2740.8 Ų40.811%0.10620%0.201CC..Hα-helixtrans-61.1-48176.8177.8-105.3000111.9Y30 S31 N34 Q170 G171 F172 L176 T177 V178 N179Y30-Y174 HydrophobicContact CD1-CD2 4Å; Y30-Y174 AromaticContact CD1-CE2 3.71Å; Y30-Y174 HydrophobicContact CD1-CE2 3.71Å; Y30-Y174 AromaticContact CE1-CD2 3.48Å; Y30-Y174 HydrophobicContact CE1-CD2 3.48Å; Y30-Y174 VanDerWaalsContact CE1-CD2 3.48Å; Y30-Y174 AromaticContact CE1-CE2 3.67Å; Y30-Y174 HydrophobicContact CE1-CE2 3.67Å; S31-Y174 WeakPolarHBondContact CB-OH 3.48Å; S31-Y174 PolarHBondContact OG-OH 3.08Å; N34-Y174 HydrophobicContact CB-CD1 3.99Å; N34-Y174 HydrophobicContact CB-CD2 4.12Å; N34-Y174 HydrophobicContact CB-CE1 4.26Å; N34-Y174 HydrophobicContact CB-CE2 4.41Å; N34-Y174 HydrophobicContact CB-CG 3.91Å; N34-Y174 VanDerWaalsContact ND2-CD2 3.33Å; N34-Y174 WeakPolarHBondContact ND2-CD2 3.42Å; Q170-Y174 WeakPolarHBondContact O-CB 3.24Å; Q170-Y174 PolarHBondContact O-N 3.17Å; G171-Y174 WeakPolarHBondContact O-CB 3.46Å; G171-Y174 PolarHBondContact O-N 3.26Å; F172-Y174 VanDerWaalsContact C-N 3.32Å; F172-Y174 PolarHBondContact O-N 3.43Å; Y174-L176 PolarHBondContact O-N 3.23Å; Y174-T177 PolarHBondContact O-N 3.19Å; Y174-V178 HydrophobicContact CD2-CB 3.93Å; Y174-V178 HydrophobicContact CD2-CG1 4.44Å; Y174-V178 HydrophobicContact CD2-CG2 3.87Å; Y174-V178 HydrophobicContact CE2-CB 3.76Å; Y174-V178 HydrophobicContact CE2-CG1 3.76Å; Y174-V178 HydrophobicContact CE2-CG2 3.95Å; Y174-V178 WeakPolarHBondContact O-CB 3.47Å; Y174-V178 PolarHBondContact O-N 3.49Å; Y174-N179 WeakPolarHBondContact CE1-ND2 3.5Å; Y174-N179 PolarHBondContact O-N 3.41Å
175D83.1Confident82.4Confident46 Ų4646 Ų4625%0.24622%0.223CC..Iπ-helixtrans-62.3-41.9179.1-78.7-21.4000112.5M81 G171 F172 N179 K180M81-D175 HydrophobicContact CE-CB 3.81Å; M81-D175 HydrophobicContact SD-CB 4.12Å; G171-D175 PolarHBondContact O-N 3.48Å; F172-D175 PolarHBondContact O-N 3.44Å; D175-N179 WeakPolarHBondContact O-CB 3.43Å; D175-N179 PolarHBondContact O-N 3.46Å; D175-N179 PolarHBondContact OD1-ND2 2.93Å; D175-K180 WeakPolarHBondContact O-CB 3.42Å; D175-K180 PolarHBondContact O-N 3.23Å
176L82.6Confident82Confident0 Ų047.5 Ų47.50%023%0.231CC..Iπ-helixtrans-67.4-45.2179.1-74.6175.5000113.1M81 F95 L99 F172 R173 Y174 K181 F182 V188M81-L176 HydrophobicContact CG-CD2 3.81Å; M81-L176 HydrophobicContact SD-CD2 3.43Å; M81-L176 WeakPolarHBondContact SD-CD2 3.27Å; M81-L176 HydrophobicContact SD-CG 3.79Å; F95-L176 HydrophobicContact CE1-CD2 3.94Å; F95-L176 HydrophobicContact CZ-CD2 4.49Å; L99-L176 HydrophobicContact CD1-CD1 3.97Å; F172-L176 HydrophobicContact CD1-CD1 3.83Å; F172-L176 HydrophobicContact CD2-CD1 4.38Å; F172-L176 HydrophobicContact CE1-CD1 3.46Å; F172-L176 VanDerWaalsContact CE1-CD1 3.46Å; F172-L176 HydrophobicContact CE1-CG 4.48Å; F172-L176 HydrophobicContact CE2-CD1 4.04Å; F172-L176 HydrophobicContact CE2-CG 4.25Å; F172-L176 HydrophobicContact CG-CD1 4.29Å; F172-L176 HydrophobicContact CZ-CD1 3.57Å; F172-L176 HydrophobicContact CZ-CG 4.25Å; F172-L176 WeakPolarHBondContact O-CB 3.45Å; F172-L176 WeakPolarHBondContact O-CG 3.36Å; F172-L176 PolarHBondContact O-N 3.03Å; R173-L176 PolarHBondContact O-N 2.92Å; Y174-L176 PolarHBondContact O-N 3.23Å; L176-K181 WeakPolarHBondContact O-CA 3.33Å; L176-K181 PolarHBondContact O-N 3.4Å; L176-F182 HydrophobicContact CD2-CD2 3.67Å; L176-F182 HydrophobicContact CD2-CE2 4.27Å; L176-F182 PolarHBondContact O-N 2.88Å; L176-V188 HydrophobicContact CD1-CG2 3.71Å
177T77.6Confident81.5Confident35 Ų3548.2 Ų48.222%0.21524%0.235CC..Iπ-helixtrans-92.5-32.4-16958.90000113.7R173 Y174 K181 D186R173-T177 WeakPolarHBondContact O-CB 3.36Å; R173-T177 WeakPolarHBondContact O-CG2 3.35Å; R173-T177 PolarHBondContact O-N 3.28Å; R173-T177 PolarHBondContact O-OG1 3.02Å; Y174-T177 PolarHBondContact O-N 3.19Å; T177-K181 WeakPolarHBondContact O-CG 3.44Å; T177-D186 HydrophobicContact CG2-CB 4.42Å
178V76.4Confident81.4Confident58 Ų5848.1 Ų48.135%0.35223%0.234SC..Iπ-helixtrans-105.3-48.5-175.3-178.40000112Y30 Y174 K181Y30-V178 HydrophobicContact CE1-CG2 4.02Å; Y174-V178 HydrophobicContact CD2-CB 3.93Å; Y174-V178 HydrophobicContact CD2-CG1 4.44Å; Y174-V178 HydrophobicContact CD2-CG2 3.87Å; Y174-V178 HydrophobicContact CE2-CB 3.76Å; Y174-V178 HydrophobicContact CE2-CG1 3.76Å; Y174-V178 HydrophobicContact CE2-CG2 3.95Å; Y174-V178 WeakPolarHBondContact O-CB 3.47Å; Y174-V178 PolarHBondContact O-N 3.49Å; V178-K181 WeakPolarHBondContact O-CE 3.35Å
179N75.9Confident81.2Confident91 Ų9145.9 Ų45.949%0.48723%0.23SC..Iπ-helixtrans-78.2-53.3-174.7-69.4-20.9000111.8Y174 D175Y174-N179 WeakPolarHBondContact CE1-ND2 3.5Å; Y174-N179 PolarHBondContact O-N 3.41Å; D175-N179 WeakPolarHBondContact O-CB 3.43Å; D175-N179 PolarHBondContact O-N 3.46Å; D175-N179 PolarHBondContact OD1-ND2 2.93Å
180K77.6Confident81.1Confident73 Ų7352.4 Ų52.432%0.31726%0.26SS..SBendtrans-94.2-27.9-175.7-64.4-170.5176.6177.70114.1M81 N82 D175 F182M81-K180 VanDerWaalsContact C-NZ 3.28Å; M81-K180 HydrophobicContact CG-CD 4.04Å; M81-K180 PolarHBondContact O-NZ 2.93Å; M81-K180 HydrophobicContact SD-CD 4.23Å; N82-K180 PolarHBondContact OD1-NZ 2.87Å; D175-K180 WeakPolarHBondContact O-CB 3.42Å; D175-K180 PolarHBondContact O-N 3.23Å; K180-F182 VanDerWaalsContact C-N 3.3Å; K180-F182 HydrophobicContact CB-CD2 3.87Å; K180-F182 HydrophobicContact CB-CE2 3.81Å; K180-F182 HydrophobicContact CB-CG 4.29Å; K180-F182 HydrophobicContact CB-CZ 4.17Å; K180-F182 HydrophobicContact CD-CD2 4.19Å; K180-F182 HydrophobicContact CD-CE2 3.35Å; K180-F182 HydrophobicContact CD-CZ 3.67Å; K180-F182 HydrophobicContact CG-CE2 4.22Å; K180-F182 HydrophobicContact CG-CZ 4.5Å; K180-F182 PolarHBondContact O-N 3.35Å
181K77.4Confident81.3Confident151 Ų15153.1 Ų53.166%0.65726%0.263SS*.  trans52.145179.9-57.3179.6179.5176.60112.9L176 T177 V178 F183L176-K181 WeakPolarHBondContact O-CA 3.33Å; L176-K181 PolarHBondContact O-N 3.4Å; T177-K181 WeakPolarHBondContact O-CG 3.44Å; V178-K181 WeakPolarHBondContact O-CE 3.35Å; K181-F183 PolarHBondContact O-N 3.26Å
182F72.9Confident81.5Confident53 Ų5353 Ų5323%0.23226%0.262CS..  trans-65.1-27.8-178.6-76.8-50.7000113.5M81 Y86 L176 K180M81-F182 HydrophobicContact CG-CD2 4.45Å; M81-F182 HydrophobicContact CG-CE2 3.72Å; Y86-F182 HydrophobicContact CD2-CE1 4.05Å; Y86-F182 HydrophobicContact CD2-CE2 4.38Å; Y86-F182 AromaticContact CD2-CZ 3.57Å; Y86-F182 HydrophobicContact CD2-CZ 3.57Å; Y86-F182 HydrophobicContact CE2-CE2 4.45Å; Y86-F182 HydrophobicContact CE2-CZ 4.06Å; Y86-F182 AromaticContact CG-CE1 3.88Å; Y86-F182 HydrophobicContact CG-CE1 3.88Å; Y86-F182 AromaticContact CG-CZ 3.87Å; Y86-F182 HydrophobicContact CG-CZ 3.87Å; L176-F182 HydrophobicContact CD2-CD2 3.67Å; L176-F182 HydrophobicContact CD2-CE2 4.27Å; L176-F182 PolarHBondContact O-N 2.88Å; K180-F182 VanDerWaalsContact C-N 3.3Å; K180-F182 HydrophobicContact CB-CD2 3.87Å; K180-F182 HydrophobicContact CB-CE2 3.81Å; K180-F182 HydrophobicContact CB-CG 4.29Å; K180-F182 HydrophobicContact CB-CZ 4.17Å; K180-F182 HydrophobicContact CD-CD2 4.19Å; K180-F182 HydrophobicContact CD-CE2 3.35Å; K180-F182 HydrophobicContact CD-CZ 3.67Å; K180-F182 HydrophobicContact CG-CE2 4.22Å; K180-F182 HydrophobicContact CG-CZ 4.5Å; K180-F182 PolarHBondContact O-N 3.35Å
183F76.3Confident81.7Confident26 Ų2657.4 Ų57.411%0.11428%0.282CS..  trans-129.9149.9-173.8-55.9-75000111.2V92 F95 R96 K181 F185 P187V92-F183 HydrophobicContact CG1-CD1 4.11Å; V92-F183 HydrophobicContact CG1-CE1 3.47Å; V92-F183 VanDerWaalsContact CG1-CE1 3.47Å; V92-F183 HydrophobicContact CG1-CZ 3.95Å; F95-F183 HydrophobicContact CD1-CE2 4.37Å; F95-F183 HydrophobicContact CD1-CZ 4.17Å; R96-F183 HydrophobicContact CB-CE1 3.97Å; R96-F183 HydrophobicContact CB-CZ 4.1Å; R96-F183 HydrophobicContact CG-CE1 4.26Å; K181-F183 PolarHBondContact O-N 3.26Å; F183-F185 VanDerWaalsContact C-N 3.27Å; F183-F185 HydrophobicContact CB-CD1 4.37Å; F183-F185 HydrophobicContact CB-CE1 4.32Å; F183-F185 WeakPolarHBondContact CB-O 3.25Å; F183-F185 HydrophobicContact CD1-CE1 4.3Å; F183-F185 HydrophobicContact CD1-CZ 4.46Å; F183-P187 HydrophobicContact CD2-CG 3.74Å; F183-P187 HydrophobicContact CE2-CG 4.05Å; F183-P187 HydrophobicContact CG-CG 4.36Å
184N72.7Confident81.9Confident179 Ų17958 Ų5896%0.95729%0.29SS*.SBendtrans-81.8-6.2173.3-69.6-23.1000113.4
185F77.4Confident82.4Confident118 Ų11856.7 Ų56.752%0.51829%0.285SS..SBendtrans-130.4171.9176.768-84000108.8F183 P187F183-F185 VanDerWaalsContact C-N 3.27Å; F183-F185 HydrophobicContact CB-CD1 4.37Å; F183-F185 HydrophobicContact CB-CE1 4.32Å; F183-F185 WeakPolarHBondContact CB-O 3.25Å; F183-F185 HydrophobicContact CD1-CE1 4.3Å; F183-F185 HydrophobicContact CD1-CZ 4.46Å; F185-P187 HydrophobicContact CD2-CB 4.4Å; F185-P187 HydrophobicContact CE2-CB 3.75Å; F185-P187 HydrophobicContact CZ-CB 4.42Å; F185-P187 VanDerWaalsContact O-CD 3.23Å; F185-P187 WeakPolarHBondContact O-CD 3.28Å
186D80.7Confident82.8Confident34 Ų3454.8 Ų54.818%0.18227%0.274CS..  trans-100102.1-178.1-173.4-16.4000111R173 T177 V188 V189R173-D186 IonicContact CZ-OD2 2.86Å; R173-D186 IonicContact NE-OD1 2.94Å; R173-D186 IonicContact NE-OD2 3.18Å; R173-D186 PolarHBondContact NE-OD2 2.96Å; R173-D186 IonicContact NH2-OD2 3.98Å; R173-D186 PolarHBondContact NH2-OD2 3.33Å; T177-D186 HydrophobicContact CG2-CB 4.42Å; D186-V188 VanDerWaalsContact C-N 3.26Å; D186-V188 PolarHBondContact O-N 3.41Å; D186-V188 PolarHBondContact OD1-N 2.97Å; D186-V188 VanDerWaalsContact OD1-N 3.09Å; D186-V189 HydrophobicContact CB-CB 4.28Å; D186-V189 WeakPolarHBondContact O-CG1 3.35Å; D186-V189 PolarHBondContact OD1-N 3.29Å; D186-V189 VanDerWaalsContact OD1-N 3.17Å
187P81.3Confident83.3Confident19 Ų1955.8 Ų55.812%0.12328%0.283CS..THydrogen-bonded Turntrans-80.8-6.9-175.735.9-38.8000113.1L99 F183 F185L99-P187 HydrophobicContact CD2-CB 3.59Å; L99-P187 HydrophobicContact CD2-CG 3.98Å; F183-P187 HydrophobicContact CD2-CG 3.74Å; F183-P187 HydrophobicContact CE2-CG 4.05Å; F183-P187 HydrophobicContact CG-CG 4.36Å; F185-P187 HydrophobicContact CD2-CB 4.4Å; F185-P187 HydrophobicContact CE2-CB 3.75Å; F185-P187 HydrophobicContact CZ-CB 4.42Å; F185-P187 VanDerWaalsContact O-CD 3.23Å; F185-P187 WeakPolarHBondContact O-CD 3.28Å
188V86.3Confident84Confident0 Ų054.2 Ų54.20%027%0.273CS..THydrogen-bonded Turntrans-104.8-6.8-175.8-1720000111.8L99 L169 F172 R173 L176 D186 H190 M191 S192L99-V188 HydrophobicContact CD1-CG2 4.3Å; L99-V188 HydrophobicContact CD2-CG2 4.41Å; L169-V188 HydrophobicContact CD2-CG1 4.36Å; F172-V188 HydrophobicContact CD1-CG1 4.35Å; F172-V188 HydrophobicContact CD1-CG2 3.94Å; F172-V188 HydrophobicContact CE1-CG2 4.07Å; R173-V188 HydrophobicContact CB-CB 4.02Å; R173-V188 HydrophobicContact CB-CG1 4.04Å; R173-V188 HydrophobicContact CG-CB 4.17Å; L176-V188 HydrophobicContact CD1-CG2 3.71Å; D186-V188 VanDerWaalsContact C-N 3.26Å; D186-V188 PolarHBondContact O-N 3.41Å; D186-V188 PolarHBondContact OD1-N 2.97Å; D186-V188 VanDerWaalsContact OD1-N 3.09Å; V188-H190 PolarHBondContact O-N 3.08Å; V188-M191 HydrophobicContact CG1-CB 4.33Å; V188-M191 HydrophobicContact CG1-SD 4.36Å; V188-M191 WeakPolarHBondContact O-CB 3.37Å; V188-M191 PolarHBondContact O-N 3.41Å; V188-S192 PolarHBondContact O-N 3.22Å; V188-S192 PolarHBondContact O-OG 3.3Å; V188-S192 VanDerWaalsContact O-OG 3.09Å
189V86.1Confident84.7Confident36 Ų3651.6 Ų51.622%0.21826%0.257CS..Hα-helixtrans-56.4-48.5-178.268.70000112.1D186 M191 S192 E193D186-V189 HydrophobicContact CB-CB 4.28Å; D186-V189 WeakPolarHBondContact O-CG1 3.35Å; D186-V189 PolarHBondContact OD1-N 3.29Å; D186-V189 VanDerWaalsContact OD1-N 3.17Å; V189-M191 VanDerWaalsContact C-N 3.32Å; V189-M191 PolarHBondContact O-N 3.45Å; V189-S192 WeakPolarHBondContact O-CB 3.43Å; V189-S192 PolarHBondContact O-N 3.38Å; V189-S192 VanDerWaalsContact O-N 3.1Å; V189-E193 HydrophobicContact CG2-CG 4.43Å; V189-E193 WeakPolarHBondContact O-CG 3.43Å; V189-E193 PolarHBondContact O-N 2.74Å
190H88.1Confident85.5Confident137 Ų13748.8 Ų48.863%0.63424%0.241SC*.Hα-helixtrans-65.3-34.8-178.6-64.6-45.8000112.8V188 E193 A194V188-H190 PolarHBondContact O-N 3.08Å; H190-E193 IonicContact ND1-OE2 2.66Å; H190-E193 PolarHBondContact ND1-OE2 3.02Å; H190-E193 PolarHBondContact O-N 2.93Å; H190-A194 WeakPolarHBondContact O-CB 3.42Å; H190-A194 PolarHBondContact O-N 2.83Å
191M92.3Very high86.2Confident15 Ų1545.4 Ų45.47%0.07423%0.226CC..Hα-helixtrans-64.9-41.7173.8-64.8175.6-148.600111.3L99 F102 L107 V188 V189 A194 V195L99-M191 HydrophobicContact CD2-CE 3.52Å; L99-M191 HydrophobicContact CG-CE 3.85Å; L99-M191 WeakPolarHBondContact O-CE 3.35Å; F102-M191 HydrophobicContact CD1-SD 4.07Å; F102-M191 HydrophobicContact CE1-SD 4.3Å; L107-M191 HydrophobicContact CD2-CB 3.49Å; L107-M191 VanDerWaalsContact CD2-CB 3.49Å; L107-M191 HydrophobicContact CD2-CG 3.82Å; V188-M191 HydrophobicContact CG1-CB 4.33Å; V188-M191 HydrophobicContact CG1-SD 4.36Å; V188-M191 WeakPolarHBondContact O-CB 3.37Å; V188-M191 PolarHBondContact O-N 3.41Å; V189-M191 VanDerWaalsContact C-N 3.32Å; V189-M191 PolarHBondContact O-N 3.45Å; M191-A194 PolarHBondContact O-N 3.22Å; M191-V195 PolarHBondContact O-N 3.13Å
192S90.6Very high86.9Confident3 Ų338.5 Ų38.52%0.02120%0.197CC..Hα-helixtrans-67-43.3177-55.30000111.1V188 V189 A194 V195 F196V188-S192 PolarHBondContact O-N 3.22Å; V188-S192 PolarHBondContact O-OG 3.3Å; V188-S192 VanDerWaalsContact O-OG 3.09Å; V189-S192 WeakPolarHBondContact O-CB 3.43Å; V189-S192 PolarHBondContact O-N 3.38Å; V189-S192 VanDerWaalsContact O-N 3.1Å; S192-A194 VanDerWaalsContact C-N 3.32Å; S192-A194 PolarHBondContact O-N 2.9Å; S192-V195 PolarHBondContact O-N 2.9Å; S192-F196 WeakPolarHBondContact O-CD1 3.48Å; S192-F196 VanDerWaalsContact O-CD2 3.24Å; S192-F196 WeakPolarHBondContact O-CD2 3.3Å; S192-F196 WeakPolarHBondContact O-CG 3.36Å; S192-F196 PolarHBondContact O-N 3.37Å
193E89.7Confident87.7Confident92 Ų9236 Ų3643%0.4319%0.186SC..Hα-helixtrans-59.9-39.3174.8-72.6178.3152.400112.2V189 H190 V195 F196 A197V189-E193 HydrophobicContact CG2-CG 4.43Å; V189-E193 WeakPolarHBondContact O-CG 3.43Å; V189-E193 PolarHBondContact O-N 2.74Å; H190-E193 IonicContact ND1-OE2 2.66Å; H190-E193 PolarHBondContact ND1-OE2 3.02Å; H190-E193 PolarHBondContact O-N 2.93Å; E193-V195 PolarHBondContact O-N 3.38Å; E193-F196 PolarHBondContact O-N 3.15Å; E193-A197 WeakPolarHBondContact O-CB 3.33Å; E193-A197 PolarHBondContact O-N 2.95Å
194A91.9Very high88.3Confident25 Ų2535 Ų3521%0.20718%0.182CC..Hα-helixtrans-61.9-41.7175.800000112.2L111 H190 M191 S192 A197 A198L111-A194 HydrophobicContact CD1-CB 3.73Å; H190-A194 WeakPolarHBondContact O-CB 3.42Å; H190-A194 PolarHBondContact O-N 2.83Å; M191-A194 PolarHBondContact O-N 3.22Å; S192-A194 VanDerWaalsContact C-N 3.32Å; S192-A194 PolarHBondContact O-N 2.9Å; A194-A197 PolarHBondContact O-N 3.33Å; A194-A198 PolarHBondContact O-N 3.22Å
195V93.6Very high89Confident0 Ų026.8 Ų26.80%014%0.138CC..Hα-helixtrans-65.4-41.7174.6175.70000111W4 L107 L111 L162 L165 L169 M191 S192 E193 A198 L199W4-V195 HydrophobicContact CH2-CG1 4.38Å; L107-V195 HydrophobicContact CD1-CG2 4.43Å; L111-V195 HydrophobicContact CD1-CG2 3.94Å; L111-V195 HydrophobicContact CD2-CG2 4.22Å; L162-V195 HydrophobicContact CD2-CG1 4.38Å; L165-V195 HydrophobicContact CD2-CG2 4.01Å; L165-V195 HydrophobicContact CG-CG2 4.2Å; L169-V195 HydrophobicContact CD1-CG2 3.74Å; M191-V195 PolarHBondContact O-N 3.13Å; S192-V195 PolarHBondContact O-N 2.9Å; E193-V195 PolarHBondContact O-N 3.38Å; V195-A198 PolarHBondContact O-N 3.33Å; V195-L199 PolarHBondContact O-N 3.45Å
196F91.8Very high89.6Confident6 Ų621.1 Ų21.13%0.02611%0.113CC..Hα-helixtrans-65.6-40.8177.6-57-25.7000111.9W4 L7 N11 S192 E193 A198 L199 E200 P386W4-F196 HydrophobicContact CZ3-CD1 4.22Å; W4-F196 HydrophobicContact CZ3-CE1 4.33Å; L7-F196 HydrophobicContact CD1-CE1 4.46Å; N11-F196 WeakPolarHBondContact ND2-CE2 3.35Å; N11-F196 WeakPolarHBondContact ND2-CZ 3.34Å; S192-F196 WeakPolarHBondContact O-CD1 3.48Å; S192-F196 VanDerWaalsContact O-CD2 3.24Å; S192-F196 WeakPolarHBondContact O-CD2 3.3Å; S192-F196 WeakPolarHBondContact O-CG 3.36Å; S192-F196 PolarHBondContact O-N 3.37Å; E193-F196 PolarHBondContact O-N 3.15Å; F196-A198 VanDerWaalsContact C-N 3.32Å; F196-A198 PolarHBondContact O-N 3.34Å; F196-L199 WeakPolarHBondContact O-CB 3.39Å; F196-L199 PolarHBondContact O-N 2.98Å; F196-E200 WeakPolarHBondContact O-CG 3.37Å; F196-E200 PolarHBondContact O-N 3.07Å; F196-P386 HydrophobicContact CB-CG 4.09Å; F196-P386 HydrophobicContact CD1-CB 3.67Å; F196-P386 HydrophobicContact CD1-CG 3.48Å; F196-P386 VanDerWaalsContact CD1-CG 3.48Å; F196-P386 HydrophobicContact CD2-CB 4.48Å; F196-P386 HydrophobicContact CE1-CB 3.76Å; F196-P386 HydrophobicContact CE1-CG 4.08Å; F196-P386 HydrophobicContact CG-CB 4.08Å; F196-P386 HydrophobicContact CG-CG 3.8Å; F196-P386 HydrophobicContact CZ-CB 4.22Å
197A91.6Very high90.1Very high21 Ų2119.5 Ų19.517%0.17411%0.105CC..Hα-helixtrans-63-38.417500000111.9E193 A194 E200 L201 P266E193-A197 WeakPolarHBondContact O-CB 3.33Å; E193-A197 PolarHBondContact O-N 2.95Å; A194-A197 PolarHBondContact O-N 3.33Å; A197-E200 PolarHBondContact O-N 3.25Å; A197-L201 WeakPolarHBondContact O-CB 3.37Å; A197-L201 PolarHBondContact O-N 2.96Å; A197-P266 HydrophobicContact CB-CG 4.22Å
198A93.3Very high90.4Very high1 Ų119.6 Ų19.61%0.00810%0.104CC..Hα-helixtrans-64.4-38.9173.700000112.3L111 K115 L162 A194 V195 F196 L202L111-A198 HydrophobicContact CD2-CB 4.2Å; K115-A198 HydrophobicContact CG-CB 4.18Å; L162-A198 HydrophobicContact CD1-CB 4.22Å; A194-A198 PolarHBondContact O-N 3.22Å; V195-A198 PolarHBondContact O-N 3.33Å; F196-A198 VanDerWaalsContact C-N 3.32Å; F196-A198 PolarHBondContact O-N 3.34Å; A198-L202 PolarHBondContact O-N 3.34Å
199L92.2Very high90.2Very high3 Ų319.8 Ų19.82%0.01611%0.105CC..Hα-helixtrans-65.5-49.7172.817871.2000111.3W4 T159 L162 V195 F196 L201 L202 M203 P386W4-L199 HydrophobicContact CD2-CD2 3.78Å; W4-L199 HydrophobicContact CE3-CD2 3.65Å; W4-L199 HydrophobicContact CH2-CB 4.31Å; W4-L199 HydrophobicContact CH2-CD1 4.44Å; W4-L199 HydrophobicContact CH2-CD2 3.8Å; W4-L199 HydrophobicContact CH2-CG 4.4Å; W4-L199 HydrophobicContact CZ2-CD1 3.9Å; W4-L199 HydrophobicContact CZ2-CD2 3.88Å; W4-L199 HydrophobicContact CZ2-CG 4.33Å; W4-L199 HydrophobicContact CZ3-CD2 3.68Å; T159-L199 HydrophobicContact CG2-CD1 4.01Å; L162-L199 HydrophobicContact CD1-CB 4.05Å; L162-L199 HydrophobicContact CD1-CD1 4.46Å; V195-L199 PolarHBondContact O-N 3.45Å; F196-L199 WeakPolarHBondContact O-CB 3.39Å; F196-L199 PolarHBondContact O-N 2.98Å; L199-L201 VanDerWaalsContact C-N 3.26Å; L199-L201 PolarHBondContact O-N 2.98Å; L199-L202 WeakPolarHBondContact O-CB 3.15Å; L199-L202 PolarHBondContact O-N 3.5Å; L199-L202 VanDerWaalsContact O-N 3.16Å; L199-M203 HydrophobicContact CD1-CG 4.03Å; L199-M203 HydrophobicContact CG-CG 4.15Å; L199-M203 WeakPolarHBondContact O-CB 3.3Å; L199-M203 WeakPolarHBondContact O-CG 3.38Å; L199-M203 PolarHBondContact O-N 3.44Å; L199-P386 HydrophobicContact CD2-CG 3.84Å
200E91.4Very high89.3Confident32 Ų3220.3 Ų20.315%0.1511%0.108CC..Hα-helixtrans-57.2-41.5179.5-73.3176.5-175.700111.3F196 A197 M203 S204 P266 M383 S385 S387 A391F196-E200 WeakPolarHBondContact O-CG 3.37Å; F196-E200 PolarHBondContact O-N 3.07Å; A197-E200 PolarHBondContact O-N 3.25Å; E200-M203 PolarHBondContact O-N 3.2Å; E200-S204 PolarHBondContact O-N 3.43Å; E200-P266 HydrophobicContact CB-CB 3.82Å; E200-P266 HydrophobicContact CB-CG 3.93Å; E200-P266 WeakPolarHBondContact OE2-CG 3.19Å; E200-M383 HydrophobicContact CG-CE 4.36Å; E200-S385 VanDerWaalsContact OE1-CB 3.25Å; E200-S385 WeakPolarHBondContact OE1-CB 3.26Å; E200-S385 PolarHBondContact OE1-OG 3.37Å; E200-S387 PolarHBondContact OE1-OG 3.22Å; E200-A391 HydrophobicContact CG-CB 3.89Å
201L91.9Very high88.3Confident2 Ų214.2 Ų14.21%0.018%0.08CC..Hα-helixtrans-64.5-45.8175.5-17565.6000112.1K115 A197 L199 M203 S204 R261 Q264K115-L201 HydrophobicContact CB-CD2 4.2Å; K115-L201 HydrophobicContact CD-CD2 3.94Å; K115-L201 HydrophobicContact CG-CD2 3.98Å; A197-L201 WeakPolarHBondContact O-CB 3.37Å; A197-L201 PolarHBondContact O-N 2.96Å; L199-L201 VanDerWaalsContact C-N 3.26Å; L199-L201 PolarHBondContact O-N 2.98Å; L201-M203 VanDerWaalsContact C-N 3.26Å; L201-M203 PolarHBondContact O-N 2.96Å; L201-S204 VanDerWaalsContact O-CB 3.3Å; L201-S204 WeakPolarHBondContact O-CB 3.27Å; L201-S204 PolarHBondContact O-N 3.48Å; L201-S204 PolarHBondContact O-OG 3.19Å; L201-R261 HydrophobicContact CD1-CG 4.46Å; L201-Q264 HydrophobicContact CD2-CB 4.45Å
202L91.7Very high86.7Confident7 Ų713.8 Ų13.84%0.0378%0.079CC..Hα-helixtrans-58-42.9174.3175.768.2000110.5Y114 C118 F154 Y155 M158 A198 L199 S204 N205Y114-L202 WeakPolarHBondContact OH-CD2 3.42Å; C118-L202 HydrophobicContact CB-CD1 3.97Å; F154-L202 HydrophobicContact CE1-CD1 4.41Å; Y155-L202 HydrophobicContact CD1-CD1 3.86Å; Y155-L202 HydrophobicContact CD1-CD2 4.5Å; Y155-L202 HydrophobicContact CD1-CG 3.99Å; Y155-L202 HydrophobicContact CE1-CD1 3.83Å; Y155-L202 HydrophobicContact CE1-CG 4.16Å; Y155-L202 VanDerWaalsContact CE1-O 3.26Å; Y155-L202 WeakPolarHBondContact CE1-O 3.42Å; M158-L202 HydrophobicContact CB-CD1 4.49Å; M158-L202 HydrophobicContact CB-CD2 3.73Å; A198-L202 PolarHBondContact O-N 3.34Å; L199-L202 WeakPolarHBondContact O-CB 3.15Å; L199-L202 PolarHBondContact O-N 3.5Å; L199-L202 VanDerWaalsContact O-N 3.16Å; L202-S204 VanDerWaalsContact C-N 3.28Å; L202-S204 PolarHBondContact O-N 2.8Å; L202-N205 PolarHBondContact O-OD1 3.03Å
203M90.4Very high85Confident0 Ų016.3 Ų16.30%010%0.096CC..Hα-helixtrans-75.4-13.9-177.4-64.6-63.890.500113.8Y155 T159 L199 E200 L201 N205 C206 A232 V235 M383 A393Y155-M203 HydrophobicContact CD1-CE 3.75Å; Y155-M203 HydrophobicContact CE1-CE 4.39Å; T159-M203 WeakPolarHBondContact OG1-CE 3.31Å; L199-M203 HydrophobicContact CD1-CG 4.03Å; L199-M203 HydrophobicContact CG-CG 4.15Å; L199-M203 WeakPolarHBondContact O-CB 3.3Å; L199-M203 WeakPolarHBondContact O-CG 3.38Å; L199-M203 PolarHBondContact O-N 3.44Å; E200-M203 PolarHBondContact O-N 3.2Å; L201-M203 VanDerWaalsContact C-N 3.26Å; L201-M203 PolarHBondContact O-N 2.96Å; M203-N205 PolarHBondContact O-N 3.21Å; M203-C206 HydrophobicContact CE-CB 4.06Å; M203-C206 PolarHBondContact O-N 3.38Å; M203-C206 PolarHBondContact O-SG 2.55Å; M203-C206 HydrophobicContact SD-CB 4.12Å; M203-C206 VanDerWaalsContact SD-SG 3.6Å; M203-A232 HydrophobicContact CE-CB 3.68Å; M203-A232 HydrophobicContact SD-CB 3.26Å; M203-A232 WeakPolarHBondContact SD-CB 3.24Å; M203-V235 HydrophobicContact CG-CG2 4.25Å; M203-V235 HydrophobicContact SD-CG2 3.79Å; M203-M383 HydrophobicContact CB-CE 3.38Å; M203-M383 HydrophobicContact CB-SD 3.6Å; M203-M383 VanDerWaalsContact CB-SD 3.6Å; M203-M383 HydrophobicContact CG-CE 3.92Å; M203-M383 HydrophobicContact CG-SD 4.01Å; M203-A393 WeakPolarHBondContact O-CB 3.27Å
204S89.8Confident83.7Confident6 Ų617.7 Ų17.74%0.04211%0.111CC..THydrogen-bonded Turntrans-53.8-21.3-175.966.80000114.9E200 L201 L202 A393 H394E200-S204 PolarHBondContact O-N 3.43Å; L201-S204 VanDerWaalsContact O-CB 3.3Å; L201-S204 WeakPolarHBondContact O-CB 3.27Å; L201-S204 PolarHBondContact O-N 3.48Å; L201-S204 PolarHBondContact O-OG 3.19Å; L202-S204 VanDerWaalsContact C-N 3.28Å; L202-S204 PolarHBondContact O-N 2.8Å; S204-A393 CarbonylContact O-C 3.55Å; S204-A393 VanDerWaalsContact O-CA 3.3Å; S204-A393 WeakPolarHBondContact O-CA 3.48Å; S204-H394 PolarHBondContact O-N 3.17Å
205N87.7Confident82.8Confident5 Ų519 Ų193%0.02712%0.119CC..THydrogen-bonded Turntrans-130.823.5176.666-23.4000113.5C122 W126 Y155 L202 M203 V207 M257 R261C122-N205 PolarHBondContact SG-ND2 3.37Å; W126-N205 WeakPolarHBondContact CZ2-O 3.47Å; W126-N205 PolarHBondContact NE1-ND2 3.49Å; Y155-N205 PolarHBondContact OH-ND2 2.95Å; Y155-N205 VanDerWaalsContact OH-ND2 3.17Å; Y155-N205 PolarHBondContact OH-O 3.4Å; Y155-N205 PolarHBondContact OH-OD1 3.4Å; L202-N205 PolarHBondContact O-OD1 3.03Å; M203-N205 PolarHBondContact O-N 3.21Å; N205-V207 PolarHBondContact O-N 3.2Å; N205-V207 VanDerWaalsContact O-N 3.1Å; N205-M257 HydrophobicContact CB-CE 4.06Å; N205-R261 VanDerWaalsContact CB-NH2 3.28Å; N205-R261 VanDerWaalsContact CG-NH2 3.27Å; N205-R261 PolarHBondContact ND2-NH2 3.43Å
206C89.3Confident82.4Confident0 Ų019.2 Ų19.20%012%0.121CC..  trans-82.928.3-176.975.80000114.1Y155 M203 L231 A232Y155-C206 HydrophobicContact CD1-CB 3.97Å; Y155-C206 HydrophobicContact CE1-CB 3.81Å; Y155-C206 HydrophobicContact CG-CB 4.39Å; M203-C206 HydrophobicContact CE-CB 4.06Å; M203-C206 PolarHBondContact O-N 3.38Å; M203-C206 PolarHBondContact O-SG 2.55Å; M203-C206 HydrophobicContact SD-CB 4.12Å; M203-C206 VanDerWaalsContact SD-SG 3.6Å; C206-L231 HydrophobicContact CB-CB 4.47Å; C206-L231 WeakPolarHBondContact O-CB 3.41Å; C206-L231 PolarHBondContact O-N 2.78Å; C206-A232 HydrophobicContact CB-CB 4.11Å
207V90.6Very high82.1Confident0 Ų020 Ų200%013%0.125CC..EExtended strand (participates in β ladder)trans-125.7138.8-179178.60000110W126 N205 F237 I379 A381 A393 T395W126-V207 WeakPolarHBondContact CH2-O 3.19Å; N205-V207 PolarHBondContact O-N 3.2Å; N205-V207 VanDerWaalsContact O-N 3.1Å; V207-F237 HydrophobicContact CG2-CE1 4.02Å; V207-F237 HydrophobicContact CG2-CZ 4.26Å; V207-I379 HydrophobicContact CG1-CG2 3.95Å; V207-A381 HydrophobicContact CG1-CB 4.48Å; V207-A381 HydrophobicContact CG2-CB 3.64Å; V207-A393 HydrophobicContact CG2-CB 3.76Å; V207-T395 HydrophobicContact CB-CG2 4.24Å; V207-T395 HydrophobicContact CG1-CG2 4.02Å; V207-T395 WeakPolarHBondContact O-CB 3.36Å; V207-T395 VanDerWaalsContact O-CG2 3.29Å; V207-T395 WeakPolarHBondContact O-CG2 3.42Å; V207-T395 PolarHBondContact O-OG1 3.35Å
208L88.2Confident81.7Confident21 Ų2119.6 Ų19.611%0.1112%0.12CC..EExtended strand (participates in β ladder)trans-117.7139175-173.477.3000108.5W126 V129 I148 C228 G229 L231W126-L208 HydrophobicContact CH2-CB 4.39Å; W126-L208 HydrophobicContact CH2-CD1 3.56Å; W126-L208 HydrophobicContact CZ3-CD1 3.57Å; V129-L208 HydrophobicContact CG1-CD1 4.36Å; I148-L208 HydrophobicContact CD1-CD2 4.03Å; I148-L208 HydrophobicContact CG2-CD2 4.29Å; L208-C228 CarbonylContact O-C 3.57Å; L208-C228 WeakPolarHBondContact O-CA 3.46Å; L208-G229 PolarHBondContact N-O 3.03Å; L208-G229 PolarHBondContact O-N 2.97Å; L208-L231 HydrophobicContact CB-CD2 4.12Å; L208-L231 HydrophobicContact CB-CG 4.37Å
209A82.3Confident81.2Confident3 Ų321.3 Ų21.33%0.02513%0.13CC..EExtended strand (participates in β ladder)trans-108.8131.6164.100000108.6E211 M226 N227 I379A209-E211 PolarHBondContact O-N 3.31Å; A209-M226 HydrophobicContact CB-SD 4.4Å; A209-N227 CarbonylContact C-O 3.58Å; A209-N227 WeakPolarHBondContact CA-O 3.48Å; A209-I379 HydrophobicContact CB-CD1 3.37Å; A209-I379 HydrophobicContact CB-CG1 3.81Å
210T67.7Low80.7Confident47 Ų4721.3 Ų21.329%0.28813%0.13SC..EExtended strand (participates in β ladder)trans-65.5129.4165.657.50000107.5N227T210-N227 HydrophobicContact CG2-CB 3.79Å; T210-N227 PolarHBondContact N-O 3.41Å; T210-N227 WeakPolarHBondContact OG1-CA 3.21Å; T210-N227 WeakPolarHBondContact OG1-CB 3.13Å; T210-N227 PolarHBondContact OG1-N 3.47Å; T210-N227 PolarHBondContact OG1-ND2 2.71Å; T210-N227 PolarHBondContact OG1-O 2.95Å
211E66.8Low80.2Confident9 Ų923.1 Ų23.14%0.04214%0.141CC..  trans-45164.7171.3-68.4139.6-128.500112.8Q133 M137 A209 S213 L398Q133-E211 WeakPolarHBondContact CB-OE1 3.32Å; Q133-E211 WeakPolarHBondContact CG-OE1 3.47Å; Q133-E211 PolarHBondContact NE2-OE1 3.42Å; M137-E211 VanDerWaalsContact CG-OE2 3.25Å; M137-E211 WeakPolarHBondContact CG-OE2 3.35Å; M137-E211 HydrophobicContact SD-CB 4.4Å; A209-E211 PolarHBondContact O-N 3.31Å; E211-S213 VanDerWaalsContact C-N 3.27Å; E211-S213 WeakPolarHBondContact O-CA 3.36Å; E211-S213 PolarHBondContact O-N 3.41Å; E211-L398 HydrophobicContact CG-CB 4.3Å; E211-L398 HydrophobicContact CG-CD1 3.85Å; E211-L398 HydrophobicContact CG-CG 3.98Å
212P58.7Low79.8Confident7 Ų726.3 Ų26.35%0.04516%0.158CC..  trans-5998.7161.829-35000108.2T214 S215 L218P212-T214 PolarHBondContact O-N 3.09Å; P212-S215 VanDerWaalsContact CB-O 3.24Å; P212-S215 WeakPolarHBondContact CB-O 3.37Å; P212-S215 WeakPolarHBondContact CG-O 3.17Å; P212-S215 PolarHBondContact O-N 3.4Å; P212-L218 HydrophobicContact CB-CD2 4.16Å
213S55.1Low79.5Confident55 Ų5529.9 Ų29.939%0.38518%0.177SC..THydrogen-bonded Turntrans-64.5-4.7-152.653.40000116.2E211E211-S213 VanDerWaalsContact C-N 3.27Å; E211-S213 WeakPolarHBondContact O-CA 3.36Å; E211-S213 PolarHBondContact O-N 3.41Å
214T62Low79.3Confident121 Ų12131.1 Ų31.174%0.74218%0.182SC*.THydrogen-bonded Turntrans-135.5-18.4-176.454.50000113.7P212P212-T214 PolarHBondContact O-N 3.09Å
215S73.8Confident79.2Confident52 Ų5232.5 Ų32.536%0.36419%0.194SC..  trans-165.6133.3-178.1-1740000112P212 I217P212-S215 VanDerWaalsContact CB-O 3.24Å; P212-S215 WeakPolarHBondContact CB-O 3.37Å; P212-S215 WeakPolarHBondContact CG-O 3.17Å; P212-S215 PolarHBondContact O-N 3.4Å; S215-I217 PolarHBondContact O-N 3.09Å; S215-I217 PolarHBondContact OG-N 2.62Å
216A84.2Confident79.3Confident5 Ų532.4 Ų32.44%0.04119%0.193CC..SBendtrans-79.312.2171.800000113.7M137 F400 T401 I423 Y427M137-A216 HydrophobicContact CE-CB 3.79Å; A216-F400 HydrophobicContact CB-CB 4.41Å; A216-F400 CarbonylContact O-C 3.56Å; A216-F400 VanDerWaalsContact O-CA 3.27Å; A216-F400 WeakPolarHBondContact O-CA 3.46Å; A216-F400 WeakPolarHBondContact O-CB 3.22Å; A216-T401 PolarHBondContact O-N 2.88Å; A216-I423 HydrophobicContact CB-CB 4.45Å; A216-I423 HydrophobicContact CB-CD1 4.17Å; A216-I423 HydrophobicContact CB-CG1 4.03Å; A216-I423 HydrophobicContact CB-CG2 3.57Å; A216-Y427 HydrophobicContact CB-CE2 3.71Å; A216-Y427 VanDerWaalsContact CB-OH 3.22Å; A216-Y427 WeakPolarHBondContact CB-OH 3.37Å
217I85.4Confident79.2Confident22 Ų2234.5 Ų34.511%0.11320%0.204CC..EExtended strand (participates in β ladder)trans-114.7108.4173.2-45.7-62.8000108.5S215 T401 A403 M416 T420 I423S215-I217 PolarHBondContact O-N 3.09Å; S215-I217 PolarHBondContact OG-N 2.62Å; I217-T401 WeakPolarHBondContact CD1-OG1 3.46Å; I217-A403 HydrophobicContact CG2-CB 4.2Å; I217-M416 HydrophobicContact CG2-CE 3.89Å; I217-M416 HydrophobicContact CG2-SD 4.32Å; I217-T420 HydrophobicContact CD1-CG2 4.1Å; I217-T420 HydrophobicContact CG1-CG2 3.91Å; I217-I423 HydrophobicContact CD1-CB 4.34Å; I217-I423 HydrophobicContact CD1-CG1 3.62Å
218L84.3Confident79.2Confident13 Ų1334.7 Ų34.77%0.06821%0.206CC..EExtended strand (participates in β ladder)trans-89.6122173.8-64-175.8000109.7P212 F224 F377 F400 T401 I402 A403P212-L218 HydrophobicContact CB-CD2 4.16Å; L218-F224 HydrophobicContact CD1-CE1 4.3Å; L218-F224 HydrophobicContact CD1-CZ 4.34Å; L218-F224 HydrophobicContact CD2-CB 4.35Å; L218-F224 HydrophobicContact CD2-CD1 4.28Å; L218-F224 HydrophobicContact CD2-CG 4.18Å; L218-F377 HydrophobicContact CD1-CE2 3.93Å; L218-F377 HydrophobicContact CD1-CZ 3.51Å; L218-F400 HydrophobicContact CB-CD2 4.4Å; L218-F400 HydrophobicContact CD1-CD2 3.67Å; L218-F400 HydrophobicContact CD1-CE2 3.46Å; L218-F400 VanDerWaalsContact CD1-CE2 3.46Å; L218-F400 HydrophobicContact CD1-CG 4.45Å; L218-F400 HydrophobicContact CD1-CZ 4.08Å; L218-F400 HydrophobicContact CG-CD2 3.9Å; L218-F400 HydrophobicContact CG-CE2 4.17Å; L218-T401 PolarHBondContact N-O 3.46Å; L218-I402 CarbonylContact O-C 3.55Å; L218-I402 VanDerWaalsContact O-CA 3.3Å; L218-I402 WeakPolarHBondContact O-CA 3.25Å; L218-A403 PolarHBondContact O-N 3.25Å
219V81.4Confident79.3Confident37 Ų3734.3 Ų34.322%0.22421%0.207CC..EExtended strand (participates in β ladder)trans-91.1130.2173.1178.70000108.6N222 A403 R405V219-N222 HydrophobicContact CB-CB 4.33Å; V219-N222 WeakPolarHBondContact CB-ND2 3.44Å; V219-N222 VanDerWaalsContact O-CB 3.3Å; V219-N222 WeakPolarHBondContact O-CB 3.16Å; V219-N222 PolarHBondContact O-N 3.38Å; V219-A403 CarbonylContact C-O 3.52Å; V219-A403 WeakPolarHBondContact CA-O 2.99Å; V219-A403 HydrophobicContact CG2-CB 4.47Å; V219-R405 HydrophobicContact CG1-CB 3.84Å; V219-R405 HydrophobicContact CG1-CG 4.3Å
220T81.9Confident79.6Confident4 Ų434.3 Ų34.33%0.02521%0.207CC..THydrogen-bonded Turntrans-60.6143.9-178.263.60000110.5N222 T338 I402 A403 T404 R405T220-N222 PolarHBondContact O-N 2.81Å; T220-T338 HydrophobicContact CG2-CG2 3.29Å; T220-I402 HydrophobicContact CG2-CG2 3.51Å; T220-A403 VanDerWaalsContact CG2-O 3.31Å; T220-A403 WeakPolarHBondContact CG2-O 3.29Å; T220-A403 PolarHBondContact N-O 3.41Å; T220-T404 HydrophobicContact CG2-CG2 4.34Å; T220-T404 WeakPolarHBondContact OG1-CA 3.36Å; T220-R405 PolarHBondContact OG1-N 3.19Å
221N80.1Confident80.6Confident70 Ų7032.3 Ų32.337%0.37419%0.194SC..THydrogen-bonded Turntrans63.39.7-174.4-52.7-52000115.5L335 C336N221-L335 HydrophobicContact CB-CD2 4.24Å; N221-L335 VanDerWaalsContact O-CD2 3.27Å; N221-L335 WeakPolarHBondContact O-CD2 3.47Å; N221-C336 PolarHBondContact N-O 3.01Å
222N84.2Confident81.4Confident68 Ų6831.9 Ų31.936%0.36419%0.192SC..  trans-91.2145166.3-70.95.8000110.6V219 T220V219-N222 HydrophobicContact CB-CB 4.33Å; V219-N222 WeakPolarHBondContact CB-ND2 3.44Å; V219-N222 VanDerWaalsContact O-CB 3.3Å; V219-N222 WeakPolarHBondContact O-CB 3.16Å; V219-N222 PolarHBondContact O-N 3.38Å; T220-N222 PolarHBondContact O-N 2.81Å
223L86.6Confident82.4Confident83 Ų8336.4 Ų36.444%0.43521%0.209SC..EExtended strand (participates in β ladder)trans-76.8137175.1-69.8166.1000109.8K281 H333 L334 L335L223-K281 HydrophobicContact CD2-CB 4.26Å; L223-K281 HydrophobicContact CD2-CD 4.25Å; L223-H333 HydrophobicContact CD2-CB 3.88Å; L223-L334 WeakPolarHBondContact CA-O 3.42Å; L223-L335 HydrophobicContact CD2-CD1 3.44Å; L223-L335 VanDerWaalsContact CD2-CD1 3.44Å; L223-L335 HydrophobicContact CD2-CG 3.81Å; L223-L335 HydrophobicContact CG-CD1 4.31Å; L223-L335 HydrophobicContact CG-CG 4.46Å
224F86.3Confident83.1Confident26 Ų2634 Ų3411%0.11419%0.193CC..EExtended strand (participates in β ladder)trans-137154.8168.866.5-85.6000110.4L218 M226 L278 P332 L334 C336 F377L218-F224 HydrophobicContact CD1-CE1 4.3Å; L218-F224 HydrophobicContact CD1-CZ 4.34Å; L218-F224 HydrophobicContact CD2-CB 4.35Å; L218-F224 HydrophobicContact CD2-CD1 4.28Å; L218-F224 HydrophobicContact CD2-CG 4.18Å; F224-M226 HydrophobicContact CE2-CE 4.35Å; F224-L278 HydrophobicContact CZ-CD2 4.15Å; F224-P332 CarbonylContact O-C 3.49Å; F224-L334 HydrophobicContact CD1-CB 4.33Å; F224-L334 WeakPolarHBondContact CD1-O 3.27Å; F224-L334 HydrophobicContact CD2-CB 4.19Å; F224-L334 HydrophobicContact CE1-CB 3.91Å; F224-L334 HydrophobicContact CE2-CB 3.75Å; F224-L334 HydrophobicContact CE2-CD1 3.94Å; F224-L334 HydrophobicContact CE2-CG 4.46Å; F224-L334 HydrophobicContact CG-CB 4.46Å; F224-L334 HydrophobicContact CZ-CB 3.6Å; F224-L334 HydrophobicContact CZ-CD1 4.23Å; F224-L334 PolarHBondContact N-O 2.82Å; F224-L334 PolarHBondContact O-N 2.99Å; F224-C336 HydrophobicContact CE1-CB 4.42Å; F224-F377 HydrophobicContact CE2-CE1 4.14Å; F224-F377 HydrophobicContact CE2-CE2 4.41Å; F224-F377 AromaticContact CE2-CZ 3.59Å; F224-F377 HydrophobicContact CE2-CZ 3.59Å; F224-F377 HydrophobicContact CZ-CE1 4.03Å; F224-F377 AromaticContact CZ-CZ 3.71Å; F224-F377 HydrophobicContact CZ-CZ 3.71Å
225A87.5Confident83.9Confident35 Ų3528.6 Ų28.629%0.28916%0.16SC..EExtended strand (participates in β ladder)trans-91.9146.7174.700000110.4Y331A225-Y331 CarbonylContact C-O 3.48Å; A225-Y331 WeakPolarHBondContact CA-O 3.36Å
226M88Confident84.6Confident2 Ų227.7 Ų27.71%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-127.6133170.7179.664.67500108.8A209 F224 I242 I316 T330 Y331 L334 F377A209-M226 HydrophobicContact CB-SD 4.4Å; F224-M226 HydrophobicContact CE2-CE 4.35Å; M226-I242 HydrophobicContact CE-CG2 4.33Å; M226-I242 HydrophobicContact CG-CD1 3.69Å; M226-I316 HydrophobicContact CG-CD1 4.49Å; M226-T330 WeakPolarHBondContact O-CA 3.41Å; M226-Y331 PolarHBondContact N-O 2.81Å; M226-Y331 PolarHBondContact O-N 2.83Å; M226-L334 HydrophobicContact CB-CD1 3.51Å; M226-L334 HydrophobicContact CB-CG 4.47Å; M226-L334 HydrophobicContact CG-CD1 4.26Å; M226-F377 HydrophobicContact CE-CB 4.24Å; M226-F377 HydrophobicContact CE-CD1 3.82Å; M226-F377 HydrophobicContact CE-CD2 3.57Å; M226-F377 HydrophobicContact CE-CE1 3.96Å; M226-F377 HydrophobicContact CE-CE2 3.72Å; M226-F377 HydrophobicContact CE-CG 3.61Å; M226-F377 HydrophobicContact CE-CZ 3.9Å
227N89Confident84.8Confident44 Ų4427.8 Ų27.824%0.23515%0.151CC..EExtended strand (participates in β ladder)trans-121.1136.2167.7-39.9-80.3000109.3A209 T210 A329 T330A209-N227 CarbonylContact C-O 3.58Å; A209-N227 WeakPolarHBondContact CA-O 3.48Å; T210-N227 HydrophobicContact CG2-CB 3.79Å; T210-N227 PolarHBondContact N-O 3.41Å; T210-N227 WeakPolarHBondContact OG1-CA 3.21Å; T210-N227 WeakPolarHBondContact OG1-CB 3.13Å; T210-N227 PolarHBondContact OG1-N 3.47Å; T210-N227 PolarHBondContact OG1-ND2 2.71Å; T210-N227 PolarHBondContact OG1-O 2.95Å; N227-A329 CarbonylContact C-O 3.54Å; N227-A329 VanDerWaalsContact CA-O 3.31Å; N227-A329 WeakPolarHBondContact CA-O 3.37Å; N227-T330 VanDerWaalsContact OD1-CB 3.29Å; N227-T330 WeakPolarHBondContact OD1-CB 3.4Å; N227-T330 WeakPolarHBondContact OD1-CG2 3.48Å; N227-T330 PolarHBondContact OD1-OG1 2.81Å
228C90.2Very high85.1Confident5 Ų531.1 Ų31.13%0.03417%0.165CC..EExtended strand (participates in β ladder)trans-124141173.3-59.90000107.8L208 F240 A328 A329L208-C228 CarbonylContact O-C 3.57Å; L208-C228 WeakPolarHBondContact O-CA 3.46Å; C228-F240 HydrophobicContact CB-CD2 3.39Å; C228-F240 HydrophobicContact CB-CE2 3.76Å; C228-F240 HydrophobicContact CB-CG 4.18Å; C228-A328 CarbonylContact O-C 3.59Å; C228-A328 VanDerWaalsContact O-CA 3.28Å; C228-A328 WeakPolarHBondContact O-CA 3.3Å; C228-A329 PolarHBondContact N-O 3.06Å; C228-A329 PolarHBondContact O-N 3.18Å
229G89.1Confident85.6Confident13 Ų1331.1 Ų31.113%0.13417%0.165CC..EExtended strand (participates in β ladder)trans-138.5136.7-178.300000111.1L208L208-G229 PolarHBondContact N-O 3.03Å; L208-G229 PolarHBondContact O-N 2.97Å
230A90.1Very high86.2Confident3 Ų329.3 Ų29.33%0.02515%0.154CC..EExtended strand (participates in β ladder)trans-76.8132.7167.800000109.9F237 W327A230-F237 HydrophobicContact CB-CD2 3.87Å; A230-F237 HydrophobicContact CB-CE2 3.3Å; A230-F237 HydrophobicContact CB-CZ 3.86Å; A230-W327 HydrophobicContact CB-CB 4.06Å; A230-W327 PolarHBondContact N-O 2.96Å
231L88.1Confident86.7Confident4 Ų431.3 Ų31.32%0.02116%0.163CC..SBendtrans-80.2-27.6173-59.8169.8000111.1W126 L151 V152 Y155 C206 L208W126-L231 HydrophobicContact CH2-CD1 3.96Å; W126-L231 HydrophobicContact CZ2-CD1 3.41Å; W126-L231 VanDerWaalsContact CZ2-CD1 3.41Å; L151-L231 HydrophobicContact CD2-CD1 3.46Å; L151-L231 VanDerWaalsContact CD2-CD1 3.46Å; L151-L231 HydrophobicContact CD2-CD2 4.07Å; L151-L231 HydrophobicContact CD2-CG 4.4Å; L151-L231 HydrophobicContact CG-CD1 3.95Å; L151-L231 HydrophobicContact CG-CD2 4.42Å; V152-L231 HydrophobicContact CG2-CD2 3.8Å; Y155-L231 HydrophobicContact CD2-CB 3.61Å; Y155-L231 HydrophobicContact CD2-CD1 4.06Å; Y155-L231 HydrophobicContact CD2-CG 4.47Å; Y155-L231 HydrophobicContact CE2-CB 4.03Å; Y155-L231 HydrophobicContact CE2-CD1 3.62Å; Y155-L231 HydrophobicContact CE2-CG 4.48Å; Y155-L231 HydrophobicContact CG-CB 4.29Å; C206-L231 HydrophobicContact CB-CB 4.47Å; C206-L231 WeakPolarHBondContact O-CB 3.41Å; C206-L231 PolarHBondContact O-N 2.78Å; L208-L231 HydrophobicContact CB-CD2 4.12Å; L208-L231 HydrophobicContact CB-CG 4.37Å
232A83Confident87.4Confident0 Ų028 Ų280%015%0.145CC..  trans-88119.7176.300000111.5M203 C206 G234M203-A232 HydrophobicContact CE-CB 3.68Å; M203-A232 HydrophobicContact SD-CB 3.26Å; M203-A232 WeakPolarHBondContact SD-CB 3.24Å; C206-A232 HydrophobicContact CB-CB 4.11Å; A232-G234 PolarHBondContact O-N 2.75Å
233R79.3Confident87.8Confident102 Ų10225.6 Ų25.639%0.38513%0.132SC..THydrogen-bonded Turntrans-76.9-8.5175.7-58.1-175.6171.6151.9-1.8113.7M1 V152 S156 R325M1-R233 VanDerWaalsContact CE-O 3.3Å; M1-R233 WeakPolarHBondContact CE-O 3.31Å; V152-R233 HydrophobicContact CG1-CG 4.45Å; S156-R233 WeakPolarHBondContact OG-CG 3.16Å; R233-R325 WeakPolarHBondContact CB-O 3.33Å; R233-R325 WeakPolarHBondContact CD-O 3.28Å; R233-R325 WeakPolarHBondContact CG-O 3.12Å
234G71Confident88Confident6 Ų621.7 Ų21.76%0.06211%0.112CC..THydrogen-bonded Turntrans-93.7-16.4-165.200000116.1M1 A232M1-G234 WeakPolarHBondContact CA-O 3.38Å; A232-G234 PolarHBondContact O-N 2.75Å
235V79.4Confident88.3Confident7 Ų720.4 Ų20.44%0.04211%0.106CC..  trans-121.9148.8-166.4-1730000110.5M203 W327 M383M203-V235 HydrophobicContact CG-CG2 4.25Å; M203-V235 HydrophobicContact SD-CG2 3.79Å; V235-W327 PolarHBondContact O-NE1 3.37Å; V235-W327 VanDerWaalsContact O-NE1 3.11Å; V235-M383 HydrophobicContact CG1-CB 3.89Å; V235-M383 HydrophobicContact CG1-CG 4.3Å; V235-M383 HydrophobicContact CG1-SD 3.89Å
236V86.6Confident88.5Confident33 Ų3320.4 Ų20.420%0.210%0.104CC..  trans-95.4131.7176.4179.20000109.7N5 W327 F384N5-V236 WeakPolarHBondContact OD1-CG2 3.35Å; V236-W327 HydrophobicContact CB-CZ2 4.37Å; V236-W327 HydrophobicContact CG1-CH2 4.26Å; V236-W327 HydrophobicContact CG1-CZ2 3.93Å; V236-W327 HydrophobicContact CG2-CZ2 3.96Å; V236-F384 HydrophobicContact CB-CD2 4.16Å; V236-F384 HydrophobicContact CG1-CD2 3.87Å; V236-F384 HydrophobicContact CG1-CE2 4.2Å; V236-F384 PolarHBondContact O-N 3.03Å; V236-F384 VanDerWaalsContact O-N 3.11Å
237F89.8Confident88.6Confident6 Ų621.9 Ų21.93%0.02611%0.111CC..EExtended strand (participates in β ladder)trans-101.3138176.9-70.6-91000110.4V207 A230 F240 P318 W327 A381 M383V207-F237 HydrophobicContact CG2-CE1 4.02Å; V207-F237 HydrophobicContact CG2-CZ 4.26Å; A230-F237 HydrophobicContact CB-CD2 3.87Å; A230-F237 HydrophobicContact CB-CE2 3.3Å; A230-F237 HydrophobicContact CB-CZ 3.86Å; F237-F240 HydrophobicContact CB-CE1 3.87Å; F237-F240 HydrophobicContact CB-CZ 4.39Å; F237-F240 HydrophobicContact CD1-CD1 4.44Å; F237-F240 AromaticContact CD1-CE1 3.61Å; F237-F240 HydrophobicContact CD1-CE1 3.61Å; F237-F240 HydrophobicContact CD1-CZ 4.49Å; F237-F240 HydrophobicContact CE1-CE1 4.25Å; F237-F240 AromaticContact CG-CE1 3.73Å; F237-F240 HydrophobicContact CG-CE1 3.73Å; F237-F240 HydrophobicContact CG-CZ 4.27Å; F237-P318 HydrophobicContact CB-CB 4.38Å; F237-P318 HydrophobicContact CB-CG 3.7Å; F237-P318 WeakPolarHBondContact O-CG 3.5Å; F237-W327 HydrophobicContact CD2-CB 4.03Å; F237-W327 HydrophobicContact CD2-CG 4.21Å; F237-A381 HydrophobicContact CD1-CB 3.81Å; F237-A381 HydrophobicContact CE1-CB 3.82Å; F237-M383 HydrophobicContact CD1-CB 3.84Å; F237-M383 HydrophobicContact CE1-CB 3.88Å; F237-M383 HydrophobicContact CG-CB 4.45Å; F237-M383 HydrophobicContact CZ-CB 4.49Å
238K91.7Very high88.6Confident93 Ų9326 Ų2640%0.40413%0.129SC..EExtended strand (participates in β ladder)trans-82.6-49.5175.9-179.8-167.9167.2-156.50110.7T382 F384 F390K238-T382 HydrophobicContact CB-CG2 4.48Å; K238-T382 HydrophobicContact CD-CG2 4.31Å; K238-T382 PolarHBondContact N-O 3.23Å; K238-F384 HydrophobicContact CB-CD2 4.47Å; K238-F384 HydrophobicContact CB-CE2 3.74Å; K238-F384 HydrophobicContact CB-CZ 4.03Å; K238-F384 HydrophobicContact CG-CE2 4.41Å; K238-F384 HydrophobicContact CG-CZ 4.26Å; K238-F390 HydrophobicContact CD-CE1 3.91Å; K238-F390 HydrophobicContact CD-CZ 4.13Å
239D93.4Very high88.7Confident12 Ų1226.6 Ų26.66%0.06413%0.132CC..EExtended strand (participates in β ladder)trans-157.2155.3-173.448.351.8000111.4I315 Y317 A381 T382D239-I315 HydrophobicContact CB-CG2 3.65Å; D239-Y317 HydrophobicContact CB-CD1 4.39Å; D239-Y317 HydrophobicContact CB-CE1 4.36Å; D239-A381 WeakPolarHBondContact O-CA 3.49Å; D239-T382 PolarHBondContact O-N 3.2Å; D239-T382 WeakPolarHBondContact OD1-CB 3.5Å; D239-T382 PolarHBondContact OD1-OG1 3.31Å
240F94.1Very high88.9Confident0 Ų026 Ų260%013%0.126CC..EExtended strand (participates in β ladder)trans-115111.1165.7-61.8-25.7000109C228 F237 I315 I316 P318 A329 A381C228-F240 HydrophobicContact CB-CD2 3.39Å; C228-F240 HydrophobicContact CB-CE2 3.76Å; C228-F240 HydrophobicContact CB-CG 4.18Å; F237-F240 HydrophobicContact CB-CE1 3.87Å; F237-F240 HydrophobicContact CB-CZ 4.39Å; F237-F240 HydrophobicContact CD1-CD1 4.44Å; F237-F240 AromaticContact CD1-CE1 3.61Å; F237-F240 HydrophobicContact CD1-CE1 3.61Å; F237-F240 HydrophobicContact CD1-CZ 4.49Å; F237-F240 HydrophobicContact CE1-CE1 4.25Å; F237-F240 AromaticContact CG-CE1 3.73Å; F237-F240 HydrophobicContact CG-CE1 3.73Å; F237-F240 HydrophobicContact CG-CZ 4.27Å; F240-I315 WeakPolarHBondContact O-CA 3.43Å; F240-I316 PolarHBondContact N-O 3.03Å; F240-I316 PolarHBondContact O-N 2.92Å; F240-P318 HydrophobicContact CD2-CB 4.32Å; F240-P318 HydrophobicContact CE1-CB 4.45Å; F240-P318 HydrophobicContact CE2-CB 3.87Å; F240-P318 HydrophobicContact CZ-CB 3.94Å; F240-A329 HydrophobicContact CD2-CB 3.47Å; F240-A329 VanDerWaalsContact CD2-CB 3.47Å; F240-A329 HydrophobicContact CE2-CB 3.89Å; F240-A381 HydrophobicContact CD1-CB 3.4Å; F240-A381 VanDerWaalsContact CD1-CB 3.4Å; F240-A381 HydrophobicContact CE1-CB 3.61Å
241E93.9Very high89Confident45 Ų4529.9 Ų29.921%0.2114%0.144CC..EExtended strand (participates in β ladder)trans-90.1127.9174-178.3175.8-158.800109.6S313 V314 I315 I379 K380E241-S313 WeakPolarHBondContact OE1-CB 3.48Å; E241-S313 PolarHBondContact OE1-OG 3.33Å; E241-V314 CarbonylContact C-O 3.53Å; E241-V314 WeakPolarHBondContact CA-O 3.28Å; E241-I315 HydrophobicContact CB-CG1 4.41Å; E241-I379 WeakPolarHBondContact O-CA 3.34Å; E241-K380 HydrophobicContact CB-CB 4.32Å; E241-K380 WeakPolarHBondContact CB-O 3.28Å; E241-K380 PolarHBondContact N-O 2.89Å; E241-K380 PolarHBondContact O-N 3.33Å; E241-K380 IonicContact OE2-NZ 3.34Å
242I93.4Very high89.3Confident0 Ų035.1 Ų35.10%017%0.168CC..EExtended strand (participates in β ladder)trans-117.8129.4-179.1-60.4154.1000109M226 L278 S313 V314 I316 L334 F377 H378 I379M226-I242 HydrophobicContact CE-CG2 4.33Å; M226-I242 HydrophobicContact CG-CD1 3.69Å; I242-L278 HydrophobicContact CG2-CD1 3.95Å; I242-S313 CarbonylContact O-C 3.52Å; I242-S313 VanDerWaalsContact O-CA 3.26Å; I242-S313 WeakPolarHBondContact O-CA 3.35Å; I242-V314 HydrophobicContact CB-CG2 3.99Å; I242-V314 PolarHBondContact N-O 3.27Å; I242-V314 PolarHBondContact O-N 3.32Å; I242-I316 HydrophobicContact CD1-CD1 3.23Å; I242-I316 HydrophobicContact CD1-CG1 3.84Å; I242-L334 HydrophobicContact CD1-CD1 4.43Å; I242-F377 HydrophobicContact CG2-CD1 3.81Å; I242-F377 HydrophobicContact CG2-CE1 4.46Å; I242-H378 WeakPolarHBondContact CA-O 3.26Å; I242-I379 HydrophobicContact CG1-CG1 4.21Å
243Q92.8Very high89.8Confident18 Ų1835.1 Ų35.18%0.08417%0.168CC..EExtended strand (participates in β ladder)trans-134.1148.3179.4-179.9173.314.400109.7V245 V272 P273 S274 F377 H378Q243-V245 HydrophobicContact CG-CG1 4.01Å; Q243-V272 PolarHBondContact NE2-O 3.25Å; Q243-P273 VanDerWaalsContact NE2-C 3.29Å; Q243-S274 VanDerWaalsContact NE2-CB 3.32Å; Q243-F377 CarbonylContact O-C 3.59Å; Q243-F377 WeakPolarHBondContact O-CA 3.48Å; Q243-H378 HydrophobicContact CB-CB 4.5Å; Q243-H378 PolarHBondContact N-O 3.32Å; Q243-H378 PolarHBondContact O-N 3.11Å
244V91.9Very high90.4Very high1 Ų131 Ų311%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-94.2127.1169.1179.60000108.4S274 A275 A276 L278 F375 Y376 F377 F400 I402V244-S274 CarbonylContact O-C 3.53Å; V244-S274 WeakPolarHBondContact O-CA 3.26Å; V244-S274 PolarHBondContact O-OG 3.35Å; V244-A275 HydrophobicContact CG1-CB 4.45Å; V244-A275 PolarHBondContact O-N 2.91Å; V244-A276 HydrophobicContact CB-CB 4Å; V244-A276 HydrophobicContact CG1-CB 3.89Å; V244-A276 HydrophobicContact CG2-CB 4.38Å; V244-L278 HydrophobicContact CG2-CD1 4.08Å; V244-L278 HydrophobicContact CG2-CD2 3.8Å; V244-L278 HydrophobicContact CG2-CG 3.99Å; V244-F375 HydrophobicContact CG1-CB 4.01Å; V244-F375 HydrophobicContact CG1-CD1 4.17Å; V244-F375 HydrophobicContact CG1-CG 4.31Å; V244-Y376 WeakPolarHBondContact CA-O 3.25Å; V244-F377 HydrophobicContact CG2-CD1 3.93Å; V244-F377 HydrophobicContact CG2-CE1 3.7Å; V244-F400 HydrophobicContact CG1-CZ 3.94Å; V244-F400 HydrophobicContact CG2-CZ 4.28Å; V244-I402 HydrophobicContact CG1-CD1 3.98Å
245V92.1Very high91.4Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-123.4154.9180-61.20000110.8Q243 T249 A250 I253 V272 F375 Y376 H378 L396Q243-V245 HydrophobicContact CG-CG1 4.01Å; V245-T249 HydrophobicContact CB-CG2 3.87Å; V245-T249 HydrophobicContact CG1-CG2 3.97Å; V245-A250 HydrophobicContact CG2-CB 4.09Å; V245-I253 HydrophobicContact CG1-CD1 4.22Å; V245-I253 HydrophobicContact CG2-CD1 4.23Å; V245-V272 HydrophobicContact CG1-CG2 4.26Å; V245-F375 WeakPolarHBondContact O-CA 2.99Å; V245-Y376 PolarHBondContact N-O 2.95Å; V245-Y376 PolarHBondContact O-N 3.44Å; V245-H378 HydrophobicContact CG1-CB 3.92Å; V245-H378 HydrophobicContact CG2-CB 4.12Å; V245-L396 HydrophobicContact CG2-CD2 4.27Å
246S91.3Very high92Very high34 Ų3435.6 Ų35.624%0.23818%0.181CC..EExtended strand (participates in β ladder)trans-74.3164.4172.662.60000110.9E248 T249 A250S246-E248 PolarHBondContact O-N 2.96Å; S246-T249 PolarHBondContact O-N 3.29Å; S246-T249 PolarHBondContact OG-N 2.75Å; S246-T249 PolarHBondContact OG-OG1 3.38Å; S246-T249 VanDerWaalsContact OG-OG1 3.04Å; S246-A250 WeakPolarHBondContact O-CB 3.22Å; S246-A250 PolarHBondContact O-N 3.49Å
247E89.9Confident92.1Very high33 Ų3334.4 Ų34.415%0.15417%0.173CC..Hα-helixtrans-49.7-52.5171.2-175.1171.2-138.800112.7T249 A250 E251 I374 Y376E247-T249 VanDerWaalsContact C-N 3.32Å; E247-T249 PolarHBondContact O-N 3.23Å; E247-A250 CarbonylContact O-C 3.6Å; E247-A250 WeakPolarHBondContact O-CA 3.17Å; E247-A250 WeakPolarHBondContact O-CB 3.22Å; E247-A250 PolarHBondContact O-N 2.99Å; E247-E251 PolarHBondContact O-N 2.93Å; E247-I374 HydrophobicContact CB-CB 4.25Å; E247-I374 HydrophobicContact CB-CG2 4.27Å; E247-I374 HydrophobicContact CG-CG2 4.48Å; E247-I374 PolarHBondContact N-O 3.29Å; E247-I374 WeakPolarHBondContact OE1-CD1 3.37Å; E247-Y376 HydrophobicContact CB-CE2 4.42Å; E247-Y376 HydrophobicContact CG-CE2 4.45Å
248E90.2Very high92.1Very high131 Ų13136.8 Ų36.861%0.61219%0.191SC*.Hα-helixtrans-57.7-40.4177.1-178.7-175.8-178.900113S246 A250 E251 H252S246-E248 PolarHBondContact O-N 2.96Å; E248-A250 VanDerWaalsContact C-N 3.34Å; E248-E251 PolarHBondContact O-N 3.35Å; E248-H252 PolarHBondContact O-N 2.73Å; E248-H252 VanDerWaalsContact O-N 3.07Å
249T91.7Very high92Very high17 Ų1737.2 Ų37.210%0.10419%0.19CC..Hα-helixtrans-71-34.5177.4-590000110.9V245 S246 E247 H252 I253 V272 P273V245-T249 HydrophobicContact CB-CG2 3.87Å; V245-T249 HydrophobicContact CG1-CG2 3.97Å; S246-T249 PolarHBondContact O-N 3.29Å; S246-T249 PolarHBondContact OG-N 2.75Å; S246-T249 PolarHBondContact OG-OG1 3.38Å; S246-T249 VanDerWaalsContact OG-OG1 3.04Å; E247-T249 VanDerWaalsContact C-N 3.32Å; E247-T249 PolarHBondContact O-N 3.23Å; T249-H252 PolarHBondContact O-N 3.26Å; T249-I253 HydrophobicContact CG2-CD1 4.16Å; T249-I253 WeakPolarHBondContact O-CD1 3.02Å; T249-I253 VanDerWaalsContact O-CG1 3.25Å; T249-I253 WeakPolarHBondContact O-CG1 3.48Å; T249-I253 PolarHBondContact O-N 2.65Å; T249-V272 HydrophobicContact CG2-CB 3.72Å; T249-V272 HydrophobicContact CG2-CG1 4.18Å; T249-V272 HydrophobicContact CG2-CG2 4.32Å; T249-P273 HydrophobicContact CG2-CG 4.41Å
250A92.9Very high91.7Very high0 Ų036.9 Ų36.90%019%0.188CC..Hα-helixtrans-66.4-40.1175.200000111.7V245 S246 E247 E248 H252 I253 Q254 Y376 L396 L436V245-A250 HydrophobicContact CG2-CB 4.09Å; S246-A250 WeakPolarHBondContact O-CB 3.22Å; S246-A250 PolarHBondContact O-N 3.49Å; E247-A250 CarbonylContact O-C 3.6Å; E247-A250 WeakPolarHBondContact O-CA 3.17Å; E247-A250 WeakPolarHBondContact O-CB 3.22Å; E247-A250 PolarHBondContact O-N 2.99Å; E248-A250 VanDerWaalsContact C-N 3.34Å; A250-H252 VanDerWaalsContact C-N 3.35Å; A250-I253 PolarHBondContact O-N 2.93Å; A250-Q254 WeakPolarHBondContact O-CB 3.27Å; A250-Q254 PolarHBondContact O-N 3.08Å; A250-Y376 HydrophobicContact CB-CD2 3.6Å; A250-Y376 HydrophobicContact CB-CE2 4.18Å; A250-Y376 HydrophobicContact CB-CG 3.9Å; A250-L396 HydrophobicContact CB-CD1 4.09Å; A250-L396 HydrophobicContact CB-CD2 4.14Å; A250-L436 HydrophobicContact CB-CD2 3.75Å
251E92.8Very high91.3Very high86 Ų8638.3 Ų38.340%0.40219%0.193SC..Hα-helixtrans-58.2-45.3170.4-70.7173.4176.300111.7E247 E248 Q254 S255 L436E247-E251 PolarHBondContact O-N 2.93Å; E248-E251 PolarHBondContact O-N 3.35Å; E251-Q254 PolarHBondContact O-N 3.32Å; E251-S255 WeakPolarHBondContact O-CB 3.42Å; E251-S255 PolarHBondContact O-N 3.44Å; E251-L436 HydrophobicContact CB-CD1 4.22Å; E251-L436 HydrophobicContact CG-CD1 3.64Å
252H93.1Very high90.8Very high114 Ų11443.1 Ų43.153%0.52822%0.22SC..Hα-helixtrans-61.2-46.4176.3-177.367.6000112.3E248 T249 A250 Q254 S255 E256E248-H252 PolarHBondContact O-N 2.73Å; E248-H252 VanDerWaalsContact O-N 3.07Å; T249-H252 PolarHBondContact O-N 3.26Å; A250-H252 VanDerWaalsContact C-N 3.35Å; H252-Q254 PolarHBondContact O-N 3.07Å; H252-S255 PolarHBondContact O-N 2.96Å; H252-E256 WeakPolarHBondContact O-CB 3.49Å; H252-E256 PolarHBondContact O-N 2.91Å
253I93.4Very high90.4Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-60.1-46.8176.9-66.8160.5000110.6V245 T249 A250 E256 M257 I269 V272 H378 L396V245-I253 HydrophobicContact CG1-CD1 4.22Å; V245-I253 HydrophobicContact CG2-CD1 4.23Å; T249-I253 HydrophobicContact CG2-CD1 4.16Å; T249-I253 WeakPolarHBondContact O-CD1 3.02Å; T249-I253 VanDerWaalsContact O-CG1 3.25Å; T249-I253 WeakPolarHBondContact O-CG1 3.48Å; T249-I253 PolarHBondContact O-N 2.65Å; A250-I253 PolarHBondContact O-N 2.93Å; I253-E256 PolarHBondContact O-N 2.98Å; I253-M257 HydrophobicContact CG2-CG 4.47Å; I253-M257 HydrophobicContact CG2-SD 4.09Å; I253-M257 VanDerWaalsContact O-CG 3.32Å; I253-M257 WeakPolarHBondContact O-CG 3.35Å; I253-M257 PolarHBondContact O-N 3.36Å; I253-I269 HydrophobicContact CG2-CD1 4.2Å; I253-V272 HydrophobicContact CD1-CB 4.49Å; I253-V272 HydrophobicContact CD1-CG1 4.28Å; I253-V272 HydrophobicContact CD1-CG2 4.01Å; I253-V272 HydrophobicContact CG1-CG1 3.85Å; I253-V272 HydrophobicContact CG1-CG2 4.44Å; I253-H378 HydrophobicContact CD1-CB 4.16Å; I253-L396 HydrophobicContact CD1-CD2 4.35Å
254Q92.9Very high89.9Confident16 Ų1649 Ų498%0.07525%0.25CC..Hα-helixtrans-63-43178.3173.8163.5-73.900111.9A250 E251 H252 E256 M257 S258 L396 D433 L436A250-Q254 WeakPolarHBondContact O-CB 3.27Å; A250-Q254 PolarHBondContact O-N 3.08Å; E251-Q254 PolarHBondContact O-N 3.32Å; H252-Q254 PolarHBondContact O-N 3.07Å; Q254-E256 VanDerWaalsContact C-N 3.28Å; Q254-E256 PolarHBondContact O-N 3.07Å; Q254-M257 WeakPolarHBondContact O-CB 2.95Å; Q254-M257 PolarHBondContact O-N 3.19Å; Q254-S258 WeakPolarHBondContact O-CB 3.27Å; Q254-S258 PolarHBondContact O-N 3.24Å; Q254-S258 PolarHBondContact O-OG 3.4Å; Q254-S258 VanDerWaalsContact O-OG 3.12Å; Q254-L396 HydrophobicContact CB-CD1 4.49Å; Q254-D433 PolarHBondContact NE2-O 3.45Å; Q254-D433 PolarHBondContact OE1-O 2.93Å; Q254-L436 HydrophobicContact CB-CD1 4.26Å
255S92Very high89.4Confident78 Ų7854.7 Ų54.755%0.54528%0.276SS..Hα-helixtrans-58.5-42.7176.4-176.90000111.2E251 H252 S258 R259E251-S255 WeakPolarHBondContact O-CB 3.42Å; E251-S255 PolarHBondContact O-N 3.44Å; H252-S255 PolarHBondContact O-N 2.96Å; S255-S258 PolarHBondContact O-N 2.73Å; S255-R259 WeakPolarHBondContact O-CB 3.45Å; S255-R259 PolarHBondContact O-N 3.22Å
256E91.6Very high88.6Confident31 Ų3155.8 Ų55.815%0.14528%0.283CS..Hα-helixtrans-66.8-41.2176-177.555.2-150.300112.5H252 I253 Q254 S258 R259 Q260 I269H252-E256 WeakPolarHBondContact O-CB 3.49Å; H252-E256 PolarHBondContact O-N 2.91Å; I253-E256 PolarHBondContact O-N 2.98Å; Q254-E256 VanDerWaalsContact C-N 3.28Å; Q254-E256 PolarHBondContact O-N 3.07Å; E256-S258 VanDerWaalsContact C-N 3.32Å; E256-S258 PolarHBondContact O-N 2.96Å; E256-R259 WeakPolarHBondContact O-CB 2.98Å; E256-R259 PolarHBondContact O-N 3.41Å; E256-R259 IonicContact OE1-CZ 3.01Å; E256-R259 VanDerWaalsContact OE1-CZ 3.32Å; E256-R259 IonicContact OE1-NE 3.87Å; E256-R259 PolarHBondContact OE1-NE 3.32Å; E256-R259 IonicContact OE1-NH2 3.7Å; E256-R259 PolarHBondContact OE1-NH2 3.29Å; E256-R259 IonicContact OE2-CZ 3.25Å; E256-R259 IonicContact OE2-NE 3.21Å; E256-R259 PolarHBondContact OE2-NE 2.85Å; E256-R259 IonicContact OE2-NH2 2.74Å; E256-Q260 WeakPolarHBondContact O-CG 3.39Å; E256-Q260 PolarHBondContact O-N 3.47Å; E256-Q260 VanDerWaalsContact O-N 3.08Å; E256-Q260 PolarHBondContact OE1-NE2 3.28Å; E256-I269 HydrophobicContact CG-CB 4.3Å; E256-I269 HydrophobicContact CG-CD1 4.3Å; E256-I269 HydrophobicContact CG-CG1 3.86Å; E256-I269 HydrophobicContact CG-CG2 4.04Å
257M89.9Confident88.1Confident7 Ų755.4 Ų55.43%0.03428%0.282CS..Hα-helixtrans-60.1-41.9171.9-69.7174.469.500111.8N205 I253 Q254 Q260 R261 I269 H394 L435N205-M257 HydrophobicContact CB-CE 4.06Å; I253-M257 HydrophobicContact CG2-CG 4.47Å; I253-M257 HydrophobicContact CG2-SD 4.09Å; I253-M257 VanDerWaalsContact O-CG 3.32Å; I253-M257 WeakPolarHBondContact O-CG 3.35Å; I253-M257 PolarHBondContact O-N 3.36Å; Q254-M257 WeakPolarHBondContact O-CB 2.95Å; Q254-M257 PolarHBondContact O-N 3.19Å; M257-Q260 PolarHBondContact O-N 2.97Å; M257-R261 PolarHBondContact O-N 2.86Å; M257-I269 HydrophobicContact CG-CD1 3.58Å; M257-H394 HydrophobicContact CE-CB 4.05Å; M257-H394 VanDerWaalsContact CE-O 3.24Å; M257-H394 WeakPolarHBondContact CE-O 3.13Å; M257-H394 HydrophobicContact CG-CB 4.31Å; M257-H394 HydrophobicContact SD-CB 3.8Å; M257-L435 HydrophobicContact CE-CD1 4Å; M257-L435 HydrophobicContact SD-CD1 4.37Å
258S89.3Confident87.6Confident57 Ų5759.1 Ų59.140%0.39931%0.309SS..Hα-helixtrans-67.1-39.6177-67.30000111.7Q254 S255 E256 Q260 R261 L262Q254-S258 WeakPolarHBondContact O-CB 3.27Å; Q254-S258 PolarHBondContact O-N 3.24Å; Q254-S258 PolarHBondContact O-OG 3.4Å; Q254-S258 VanDerWaalsContact O-OG 3.12Å; S255-S258 PolarHBondContact O-N 2.73Å; E256-S258 VanDerWaalsContact C-N 3.32Å; E256-S258 PolarHBondContact O-N 2.96Å; S258-Q260 VanDerWaalsContact C-N 3.33Å; S258-Q260 PolarHBondContact O-N 3.38Å; S258-R261 PolarHBondContact O-N 3.45Å; S258-L262 PolarHBondContact O-N 3.35Å
259R89.5Confident87.3Confident102 Ų10253.3 Ų53.339%0.38528%0.282SS..Hα-helixtrans-59.1-43.5175.5-170.4-171.971.780.51.3111.6S255 E256 R261 L262 L263S255-R259 WeakPolarHBondContact O-CB 3.45Å; S255-R259 PolarHBondContact O-N 3.22Å; E256-R259 WeakPolarHBondContact O-CB 2.98Å; E256-R259 PolarHBondContact O-N 3.41Å; E256-R259 IonicContact OE1-CZ 3.01Å; E256-R259 VanDerWaalsContact OE1-CZ 3.32Å; E256-R259 IonicContact OE1-NE 3.87Å; E256-R259 PolarHBondContact OE1-NE 3.32Å; E256-R259 IonicContact OE1-NH2 3.7Å; E256-R259 PolarHBondContact OE1-NH2 3.29Å; E256-R259 IonicContact OE2-CZ 3.25Å; E256-R259 IonicContact OE2-NE 3.21Å; E256-R259 PolarHBondContact OE2-NE 2.85Å; E256-R259 IonicContact OE2-NH2 2.74Å; R259-R261 VanDerWaalsContact C-N 3.31Å; R259-R261 PolarHBondContact O-N 3Å; R259-L262 PolarHBondContact O-N 2.93Å; R259-L263 HydrophobicContact CG-CD1 3.91Å; R259-L263 HydrophobicContact CG-CG 4.46Å; R259-L263 WeakPolarHBondContact O-CB 3.46Å; R259-L263 WeakPolarHBondContact O-CG 3.49Å; R259-L263 PolarHBondContact O-N 3.16Å
260Q86.8Confident86.8Confident5 Ų555.1 Ų55.12%0.02330%0.304CS..Hα-helixtrans-60.7-40.9177.3-69.9172.922.800112.4E256 M257 S258 Q264 H265 A267E256-Q260 WeakPolarHBondContact O-CG 3.39Å; E256-Q260 PolarHBondContact O-N 3.47Å; E256-Q260 VanDerWaalsContact O-N 3.08Å; E256-Q260 PolarHBondContact OE1-NE2 3.28Å; M257-Q260 PolarHBondContact O-N 2.97Å; S258-Q260 VanDerWaalsContact C-N 3.33Å; S258-Q260 PolarHBondContact O-N 3.38Å; Q260-Q264 PolarHBondContact O-N 3.18Å; Q260-H265 PolarHBondContact O-N 2.7Å; Q260-H265 VanDerWaalsContact O-N 3.15Å; Q260-A267 HydrophobicContact CG-CB 4.02Å; Q260-A267 PolarHBondContact NE2-O 3.47Å; Q260-A267 PolarHBondContact OE1-O 2.91Å
261R84.9Confident86.4Confident30 Ų3062.6 Ų62.611%0.11334%0.344CS..Hα-helixtrans-69.3-40.9176.8-66.7-176.2-165.9153.813.9112.4N119 M123 L201 N205 M257 S258 R259 L263 Q264N119-R261 PolarHBondContact ND2-O 2.94Å; M123-R261 PolarHBondContact SD-NH1 2.94Å; L201-R261 HydrophobicContact CD1-CG 4.46Å; N205-R261 VanDerWaalsContact CB-NH2 3.28Å; N205-R261 VanDerWaalsContact CG-NH2 3.27Å; N205-R261 PolarHBondContact ND2-NH2 3.43Å; M257-R261 PolarHBondContact O-N 2.86Å; S258-R261 PolarHBondContact O-N 3.45Å; R259-R261 VanDerWaalsContact C-N 3.31Å; R259-R261 PolarHBondContact O-N 3Å; R261-L263 VanDerWaalsContact C-N 3.34Å; R261-Q264 PolarHBondContact O-N 3.33Å
262L84.8Confident86.1Confident146 Ų14659.3 Ų59.376%0.76433%0.33SS*.Hα-helixtrans-62.6-42.8177-176.865.7000111.5S258 R259 Q264S258-L262 PolarHBondContact O-N 3.35Å; R259-L262 PolarHBondContact O-N 2.93Å; L262-Q264 PolarHBondContact O-N 3.48Å
263L83.6Confident85.8Confident103 Ų10358.1 Ų58.154%0.53933%0.332SS..THydrogen-bonded Turntrans-80.5-2.3178-64.4175.8000113.6R259 R261 H265R259-L263 HydrophobicContact CG-CD1 3.91Å; R259-L263 HydrophobicContact CG-CG 4.46Å; R259-L263 WeakPolarHBondContact O-CB 3.46Å; R259-L263 WeakPolarHBondContact O-CG 3.49Å; R259-L263 PolarHBondContact O-N 3.16Å; R261-L263 VanDerWaalsContact C-N 3.34Å; L263-H265 PolarHBondContact O-N 3.4Å
264Q83.1Confident85.6Confident39 Ų3959 Ų5918%0.18234%0.338CS..THydrogen-bonded Turntrans51.531.1-178.4-57.6-149.521.800114.4E112 K115 T116 L201 Q260 R261 L262E112-Q264 PolarHBondContact O-OE1 3.31Å; E112-Q264 VanDerWaalsContact OE2-CD 3.27Å; E112-Q264 PolarHBondContact OE2-OE1 2.96Å; K115-Q264 VanDerWaalsContact CB-OE1 3.23Å; K115-Q264 HydrophobicContact CD-CB 3.97Å; K115-Q264 PolarHBondContact NZ-O 3.34Å; K115-Q264 VanDerWaalsContact NZ-O 3.07Å; T116-Q264 PolarHBondContact OG1-NE2 3.07Å; T116-Q264 VanDerWaalsContact OG1-NE2 3.09Å; L201-Q264 HydrophobicContact CD2-CB 4.45Å; Q260-Q264 PolarHBondContact O-N 3.18Å; R261-Q264 PolarHBondContact O-N 3.33Å; L262-Q264 PolarHBondContact O-N 3.48Å
265H80.6Confident85.3Confident120 Ų12059.3 Ų59.356%0.55634%0.343SS*.  trans-136.3127.3-173.2-168-70.7000110.8Q260 L263 A267Q260-H265 PolarHBondContact O-N 2.7Å; Q260-H265 VanDerWaalsContact O-N 3.15Å; L263-H265 PolarHBondContact O-N 3.4Å; H265-A267 PolarHBondContact O-N 3.32Å
266P76.8Confident85Confident23 Ų2355.9 Ų55.915%0.14932%0.32CS..  trans-68.2129.8175.229.5-33.8000109.9A197 E200A197-P266 HydrophobicContact CB-CG 4.22Å; E200-P266 HydrophobicContact CB-CB 3.82Å; E200-P266 HydrophobicContact CB-CG 3.93Å; E200-P266 WeakPolarHBondContact OE2-CG 3.19Å
267A79.6Confident84.9Confident26 Ų2656.4 Ų56.422%0.21532%0.323CS..  trans-134.5146.9174.400000109.9Q260 H265 I269Q260-A267 HydrophobicContact CG-CB 4.02Å; Q260-A267 PolarHBondContact NE2-O 3.47Å; Q260-A267 PolarHBondContact OE1-O 2.91Å; H265-A267 PolarHBondContact O-N 3.32Å; A267-I269 PolarHBondContact O-N 3.33Å
268P79.3Confident84.9Confident110 Ų11056.1 Ų56.171%0.71432%0.322SS*.PPolyproline II helixtrans-69.3132.6172.528.3-32000109.6
269I85Confident84.8Confident10 Ų1053.4 Ų53.45%0.05130%0.303CS..PPolyproline II helixtrans-72.5131.1167.8-54.3-170.2000107.8I253 E256 M257 A267 H394I253-I269 HydrophobicContact CG2-CD1 4.2Å; E256-I269 HydrophobicContact CG-CB 4.3Å; E256-I269 HydrophobicContact CG-CD1 4.3Å; E256-I269 HydrophobicContact CG-CG1 3.86Å; E256-I269 HydrophobicContact CG-CG2 4.04Å; M257-I269 HydrophobicContact CG-CD1 3.58Å; A267-I269 PolarHBondContact O-N 3.33Å; I269-H394 HydrophobicContact CD1-CB 4.17Å; I269-H394 VanDerWaalsContact CD1-CD2 3.47Å; I269-H394 WeakPolarHBondContact CD1-CD2 3.26Å
270G80.4Confident84.6Confident54 Ų5451.2 Ų51.256%0.55730%0.298SS*.PPolyproline II helixtrans-59.1163.1176.300000112.6V272G270-V272 PolarHBondContact O-N 2.93Å
271N84.1Confident84.5Confident157 Ų15756.1 Ų56.184%0.8432%0.319SS*.PPolyproline II helixtrans-65.9132.4175.3-69.9-18.4000110
272V86.9Confident84.1Confident18 Ų1858.1 Ų58.111%0.10934%0.336CS..  trans-110.7148.6-178.7-68.80000110.6Q243 V245 T249 I253 G270Q243-V272 PolarHBondContact NE2-O 3.25Å; V245-V272 HydrophobicContact CG1-CG2 4.26Å; T249-V272 HydrophobicContact CG2-CB 3.72Å; T249-V272 HydrophobicContact CG2-CG1 4.18Å; T249-V272 HydrophobicContact CG2-CG2 4.32Å; I253-V272 HydrophobicContact CD1-CB 4.49Å; I253-V272 HydrophobicContact CD1-CG1 4.28Å; I253-V272 HydrophobicContact CD1-CG2 4.01Å; I253-V272 HydrophobicContact CG1-CG1 3.85Å; I253-V272 HydrophobicContact CG1-CG2 4.44Å; G270-V272 PolarHBondContact O-N 2.93Å
273P87.4Confident83.4Confident89 Ų8955.1 Ų55.158%0.57832%0.324SS*.  trans-70140.8-179.828.7-34.5000111.8Q243 T249Q243-P273 VanDerWaalsContact NE2-C 3.29Å; T249-P273 HydrophobicContact CG2-CG 4.41Å
274S88.2Confident82.2Confident19 Ų1955 Ų5513%0.13333%0.327CS..  trans-83.5132.2173.4-164.70000110.8Q243 V244 A276 E312Q243-S274 VanDerWaalsContact NE2-CB 3.32Å; V244-S274 CarbonylContact O-C 3.53Å; V244-S274 WeakPolarHBondContact O-CA 3.26Å; V244-S274 PolarHBondContact O-OG 3.35Å; S274-A276 PolarHBondContact OG-O 3.03Å; S274-E312 WeakPolarHBondContact CB-O 3.3Å; S274-E312 PolarHBondContact OG-O 3.36Å
275A87.4Confident80.6Confident21 Ų2157.1 Ų57.117%0.17436%0.36CS..SBendtrans-84.8-22.6177.500000112.9V244 F375V244-A275 HydrophobicContact CG1-CB 4.45Å; V244-A275 PolarHBondContact O-N 2.91Å; A275-F375 HydrophobicContact CB-CD1 3.84Å; A275-F375 HydrophobicContact CB-CE1 3.87Å
276A86.5Confident78.7Confident6 Ų657 Ų575%0.0537%0.367CS..BIsolated β-bridgetrans-149.7151.6177.300000111.6V244 S274 I402V244-A276 HydrophobicContact CB-CB 4Å; V244-A276 HydrophobicContact CG1-CB 3.89Å; V244-A276 HydrophobicContact CG2-CB 4.38Å; S274-A276 PolarHBondContact OG-O 3.03Å; A276-I402 HydrophobicContact CB-CD1 3.76Å
277L89.1Confident76.9Confident43 Ų4365 Ų6523%0.22540%0.4CS..EExtended strand (participates in β ladder)trans-84.1146.1177.6-56.6176.9000110.7K311 E312 C336 T337 R339L277-K311 WeakPolarHBondContact CA-O 3Å; L277-E312 HydrophobicContact CD2-CG 3.81Å; L277-C336 WeakPolarHBondContact O-CA 3.21Å; L277-T337 WeakPolarHBondContact CB-O 3.3Å; L277-T337 WeakPolarHBondContact CB-OG1 3.28Å; L277-T337 PolarHBondContact N-O 3.09Å; L277-T337 PolarHBondContact O-N 3.22Å; L277-R339 HydrophobicContact CD1-CB 4.43Å
278L89.1Confident75.1Confident0 Ų074.3 Ų74.30%043%0.43CS..EExtended strand (participates in β ladder)trans-115.8145175-67.1178.1000110F224 I242 V244 S310 K311 V314 L335 C336 F377F224-L278 HydrophobicContact CZ-CD2 4.15Å; I242-L278 HydrophobicContact CG2-CD1 3.95Å; V244-L278 HydrophobicContact CG2-CD1 4.08Å; V244-L278 HydrophobicContact CG2-CD2 3.8Å; V244-L278 HydrophobicContact CG2-CG 3.99Å; L278-S310 CarbonylContact O-C 3.59Å; L278-S310 WeakPolarHBondContact O-CA 3.42Å; L278-K311 PolarHBondContact N-O 2.87Å; L278-K311 PolarHBondContact O-N 2.97Å; L278-V314 HydrophobicContact CB-CG1 3.66Å; L278-V314 HydrophobicContact CB-CG2 4.14Å; L278-V314 HydrophobicContact CD1-CG2 3.81Å; L278-L335 CarbonylContact C-O 3.55Å; L278-L335 VanDerWaalsContact CA-O 3.3Å; L278-L335 WeakPolarHBondContact CA-O 2.99Å; L278-C336 HydrophobicContact CD2-CB 4.35Å; L278-F377 HydrophobicContact CD2-CE1 4.41Å
279A87.8Confident72.8Confident0 Ų074.3 Ų74.30%043%0.432CS..EExtended strand (participates in β ladder)trans-130.5142.9174.400000110V308 L335 T337A279-V308 HydrophobicContact CB-CB 4.01Å; A279-V308 HydrophobicContact CB-CG1 3.85Å; A279-L335 HydrophobicContact CB-CB 4.12Å; A279-L335 PolarHBondContact N-O 3.21Å; A279-L335 PolarHBondContact O-N 3.45Å; A279-T337 HydrophobicContact CB-CG2 3.9Å
280M85.7Confident70.5Confident57 Ų5781.6 Ų81.628%0.28147%0.471SS..EExtended strand (participates in β ladder)trans-105.2121.7175.6-61-178.672.300109.2V314 I316 Y331 L334M280-V314 HydrophobicContact CG-CB 3.96Å; M280-V314 HydrophobicContact CG-CG1 3.83Å; M280-V314 HydrophobicContact SD-CB 3.86Å; M280-V314 HydrophobicContact SD-CG1 4.26Å; M280-I316 HydrophobicContact CE-CG1 4.28Å; M280-Y331 HydrophobicContact CB-CE1 4.01Å; M280-Y331 HydrophobicContact CE-CD1 3.95Å; M280-Y331 HydrophobicContact CE-CD2 3.51Å; M280-Y331 HydrophobicContact CE-CE1 3.8Å; M280-Y331 HydrophobicContact CE-CE2 3.34Å; M280-Y331 HydrophobicContact CE-CG 3.81Å; M280-Y331 VanDerWaalsContact CE-CZ 3.49Å; M280-Y331 HydrophobicContact CG-CE1 4.37Å; M280-L334 HydrophobicContact CB-CD2 4.46Å; M280-L334 HydrophobicContact CE-CD2 4.49Å; M280-L334 HydrophobicContact CG-CD2 3.63Å
281K83.9Confident68.5Low107 Ų10783.3 Ų83.347%0.46548%0.48SS..  trans-94.5132.1172.4-171.5179.5179.9-175.70109.7L223 Y331 H333 L335L223-K281 HydrophobicContact CD2-CB 4.26Å; L223-K281 HydrophobicContact CD2-CD 4.25Å; K281-Y331 VanDerWaalsContact C-OH 3.31Å; K281-Y331 PolarHBondContact O-OH 3.07Å; K281-H333 HydrophobicContact CB-CB 4.19Å; K281-H333 PolarHBondContact N-O 3.15Å; K281-H333 WeakPolarHBondContact O-CB 3.45Å; K281-L335 HydrophobicContact CB-CD1 4.16Å
282P77.9Confident66Low73 Ų7380.6 Ų80.647%0.47448%0.479SS..  trans-56.3143.1178.6-23.832.6000112.4
283T68.3Low63.5Low83 Ų8385.2 Ų85.251%0.50951%0.512SS..SBendtrans-77.3-27.7176.349.40000112.8P332T283-P332 HydrophobicContact CG2-CG 3.65Å
284T59.8Low60.7Low99 Ų9988.9 Ų88.961%0.60753%0.527SS*.SBendtrans-85.8116.2173.154.60000109.6T286T284-T286 PolarHBondContact O-N 3.36Å
285G49Very low58.4Low84 Ų8492.6 Ų92.687%0.86655%0.553SS**  trans-69.743.6-175.900000116K287G285-K287 PolarHBondContact O-N 3.43Å; G285-K287 VanDerWaalsContact O-N 3.13Å
286T39.8Very low55.8Low117 Ų11798.7 Ų98.772%0.71858%0.583SS**  trans-75.4103168.250000108.4T284 R288T284-T286 PolarHBondContact O-N 3.36Å; T286-R288 PolarHBondContact O-N 2.87Å
287K38.9Very low53.1Low193 Ų193104.4 Ų104.484%0.83962%0.622SS**  trans-49.2112.3158.7-84.3-179.1176.1175.40106.6G285 S289G285-K287 PolarHBondContact O-N 3.43Å; G285-K287 VanDerWaalsContact O-N 3.13Å; K287-S289 PolarHBondContact O-N 3.25Å
288R41.6Very low50.6Low221 Ų221107 Ų10783%0.83465%0.65SS**  trans-61.9110.5162.3-72.6-174-162.5-171.13.2106.1T286 N290T286-R288 PolarHBondContact O-N 2.87Å; R288-N290 PolarHBondContact O-N 3.3Å
289S31.2Very low48Very low109 Ų109114.2 Ų114.276%0.76269%0.689SS**  trans-59.5102.3165.6-530000107.1K287 A291K287-S289 PolarHBondContact O-N 3.25Å; S289-A291 PolarHBondContact O-N 3.09Å
290N38Very low45.2Very low163 Ų163121.8 Ų121.887%0.87273%0.729SS**  trans-70.788.9164.4-83.7-2.3000107.1R288R288-N290 PolarHBondContact O-N 3.3Å
291A37Very low42.6Very low91 Ų91125.7 Ų125.775%0.75276%0.756SS**  trans-146.581.5167.700000109S289S289-A291 PolarHBondContact O-N 3.09Å
292A32.1Very low40Very low99 Ų99125.2 Ų125.282%0.81877%0.773SS**  trans-142.395.7146.300000105.9N294A292-N294 PolarHBondContact O-N 3Å
293S34.4Very low38Very low115 Ų115130.1 Ų130.180%0.80479%0.789SS**  trans-49.2123.4169.245.20000111.5
294N29.6Very low36.5Very low167 Ų167134.6 Ų134.689%0.89380%0.801SS**  trans-126118.5136.9-108.2-2.2000107.3A292A292-N294 PolarHBondContact O-N 3Å
295S38.9Very low35.6Very low97 Ų97140.2 Ų140.268%0.67882%0.817SS**  trans-63.6162.1-179.141.10000112.3
296D33.4Very low35.3Very low149 Ų149139.2 Ų139.280%0.79780%0.797SS**  trans89.972.5167.1-50.5-26.2000117.4
297S30.6Very low35.6Very low125 Ų125140.4 Ų140.487%0.87480%0.799SS**  trans-178.782.7135.534.30000110.6N299S297-N299 PolarHBondContact O-N 2.72Å
298A36.8Very low36.4Very low97 Ų97133.9 Ų133.980%0.80278%0.775SS**  trans-82.610017200000110.4
299N33.3Very low37.8Very low152 Ų152129.1 Ų129.181%0.81377%0.766SS**SBendtrans165.791.8137.1-90.2-13.2000111.7S297S297-N299 PolarHBondContact O-N 2.72Å
300N29.6Very low40.2Very low160 Ų160125.9 Ų125.986%0.85674%0.743SS**  trans157.578.2146.8-88.1-23.8000110.2
301T29.9Very low42.5Very low138 Ų138123 Ų12385%0.84772%0.723SS**  trans-117.345.1-179.145.10000113.2
302A31Very low45Very low98 Ų98123.5 Ų123.581%0.8171%0.71SS**SBendtrans-97.9-2.1168.200000114
303H34.6Very low47.8Very low176 Ų176120.2 Ų120.282%0.81568%0.681SS**SBendtrans-124.112.7-174.7-91-62.7000116.8
304K36.7Very low50.5Low176 Ų176115 Ų11577%0.76564%0.644SS**  trans-12360.5-177.8-82.3-175.5173.3177.80114.4
305K40.5Very low53.5Low217 Ų217110.3 Ų110.394%0.94362%0.619SS**SBendtrans-130.818.7171.9-85.6-170.5179.8176.60115.5
306S43.3Very low56.1Low63 Ų63106.1 Ų106.144%0.44159%0.588SS.*  trans-139.610.917862.30000116.5V308S306-V308 PolarHBondContact O-N 2.7Å
307D45.9Very low58.9Low143 Ų143106.6 Ų106.677%0.76558%0.58SS**  trans-76.358.7171-66.6-25.2000110.5N309D307-N309 PolarHBondContact O-N 3.01Å
308V56.7Low61.8Low56 Ų56101.3 Ų101.334%0.33954%0.543SS..  trans-62.9120.4156.3-173.50000104.9A279 S306 S310A279-V308 HydrophobicContact CB-CB 4.01Å; A279-V308 HydrophobicContact CB-CG1 3.85Å; S306-V308 PolarHBondContact O-N 2.7Å; V308-S310 VanDerWaalsContact C-N 3.29Å; V308-S310 WeakPolarHBondContact O-CA 3.43Å; V308-S310 PolarHBondContact O-N 2.95Å; V308-S310 PolarHBondContact O-OG 2.73Å
309N69.7Low64.4Low120 Ų120101.8 Ų101.864%0.64254%0.535SS*.  trans-2981.1-179.2-167.611.2000113.8D307 K311D307-N309 PolarHBondContact O-N 3.01Å; N309-K311 WeakPolarHBondContact ND2-CE 3.46Å
310S81.6Confident67Low41 Ų4198 Ų9829%0.28751%0.511SS..  trans-86.4126.8-170.2-68.40000108.1L278 V308 T337L278-S310 CarbonylContact O-C 3.59Å; L278-S310 WeakPolarHBondContact O-CA 3.42Å; V308-S310 VanDerWaalsContact C-N 3.29Å; V308-S310 WeakPolarHBondContact O-CA 3.43Å; V308-S310 PolarHBondContact O-N 2.95Å; V308-S310 PolarHBondContact O-OG 2.73Å; S310-T337 WeakPolarHBondContact CB-OG1 3.46Å; S310-T337 WeakPolarHBondContact OG-CB 3.33Å; S310-T337 WeakPolarHBondContact OG-CG2 3.3Å; S310-T337 PolarHBondContact OG-OG1 2.99Å
311K87.8Confident69.7Low104 Ų10492.7 Ų92.745%0.45248%0.482SS..BIsolated β-bridgetrans-125.7156.9-172.5-62.7-177.6-179.9-175.40110.4L277 L278 N309 S313L277-K311 WeakPolarHBondContact CA-O 3Å; L278-K311 PolarHBondContact N-O 2.87Å; L278-K311 PolarHBondContact O-N 2.97Å; N309-K311 WeakPolarHBondContact ND2-CE 3.46Å; K311-S313 VanDerWaalsContact C-N 3.25Å; K311-S313 WeakPolarHBondContact CB-O 3.44Å
312E88.8Confident72.3Confident101 Ų10190.6 Ų90.647%0.47247%0.473SS..SBendtrans-67.2-31.5174.9-69.5-176.1170.200111.5S274 L277 K341S274-E312 WeakPolarHBondContact CB-O 3.3Å; S274-E312 PolarHBondContact OG-O 3.36Å; L277-E312 HydrophobicContact CD2-CG 3.81Å; E312-K341 IonicContact OE1-NZ 3.21Å
313S90.2Very high74.8Confident29 Ų2994.6 Ų94.620%0.20347%0.472CS..EExtended strand (participates in β ladder)trans-137.3155.1170.765.90000111.6E241 I242 K311E241-S313 WeakPolarHBondContact OE1-CB 3.48Å; E241-S313 PolarHBondContact OE1-OG 3.33Å; I242-S313 CarbonylContact O-C 3.52Å; I242-S313 VanDerWaalsContact O-CA 3.26Å; I242-S313 WeakPolarHBondContact O-CA 3.35Å; K311-S313 VanDerWaalsContact C-N 3.25Å; K311-S313 WeakPolarHBondContact CB-O 3.44Å
314V91.9Very high76.8Confident5 Ų589.8 Ų89.83%0.0345%0.452CS..EExtended strand (participates in β ladder)trans-123.7144175.2-67.10000110.1E241 I242 L278 M280 L334E241-V314 CarbonylContact C-O 3.53Å; E241-V314 WeakPolarHBondContact CA-O 3.28Å; I242-V314 HydrophobicContact CB-CG2 3.99Å; I242-V314 PolarHBondContact N-O 3.27Å; I242-V314 PolarHBondContact O-N 3.32Å; L278-V314 HydrophobicContact CB-CG1 3.66Å; L278-V314 HydrophobicContact CB-CG2 4.14Å; L278-V314 HydrophobicContact CD1-CG2 3.81Å; M280-V314 HydrophobicContact CG-CB 3.96Å; M280-V314 HydrophobicContact CG-CG1 3.83Å; M280-V314 HydrophobicContact SD-CB 3.86Å; M280-V314 HydrophobicContact SD-CG1 4.26Å; V314-L334 HydrophobicContact CG2-CD2 4.18Å
315I92.9Very high79Confident70 Ų7089.3 Ų89.336%0.35945%0.446SS..EExtended strand (participates in β ladder)trans-108.2129.4-178.9-64.6171.8000109.2D239 F240 E241 Y317D239-I315 HydrophobicContact CB-CG2 3.65Å; F240-I315 WeakPolarHBondContact O-CA 3.43Å; E241-I315 HydrophobicContact CB-CG1 4.41Å; I315-Y317 HydrophobicContact CG2-CD1 4.48Å; I315-Y317 HydrophobicContact CG2-CE1 4.09Å; I315-Y317 HydrophobicContact CG2-CE2 4.43Å
316I92.2Very high81.1Confident9 Ų982.3 Ų82.35%0.04641%0.414CS..EExtended strand (participates in β ladder)trans-115.2133.2168.1-46.3170.9000107.9M226 F240 I242 M280 A329 Y331M226-I316 HydrophobicContact CG-CD1 4.49Å; F240-I316 PolarHBondContact N-O 3.03Å; F240-I316 PolarHBondContact O-N 2.92Å; I242-I316 HydrophobicContact CD1-CD1 3.23Å; I242-I316 HydrophobicContact CD1-CG1 3.84Å; M280-I316 HydrophobicContact CE-CG1 4.28Å; I316-A329 HydrophobicContact CB-CB 4.07Å; I316-A329 HydrophobicContact CG2-CB 3.59Å; I316-Y331 HydrophobicContact CD1-CG 4.46Å
317Y92.7Very high83.2Confident158 Ų15881.6 Ų81.662%0.6240%0.401SS*.  trans-85.6128.6179.1-64.3-73.8000110.8D239 I315D239-Y317 HydrophobicContact CB-CD1 4.39Å; D239-Y317 HydrophobicContact CB-CE1 4.36Å; I315-Y317 HydrophobicContact CG2-CD1 4.48Å; I315-Y317 HydrophobicContact CG2-CE1 4.09Å; I315-Y317 HydrophobicContact CG2-CE2 4.43Å
318P91.6Very high85.3Confident15 Ų1575.5 Ų75.510%0.09737%0.371CS..  trans-73.1142.7178.230.6-34.5000111.5F237 F240 W327 A328 A329F237-P318 HydrophobicContact CB-CB 4.38Å; F237-P318 HydrophobicContact CB-CG 3.7Å; F237-P318 WeakPolarHBondContact O-CG 3.5Å; F240-P318 HydrophobicContact CD2-CB 4.32Å; F240-P318 HydrophobicContact CE1-CB 4.45Å; F240-P318 HydrophobicContact CE2-CB 3.87Å; F240-P318 HydrophobicContact CZ-CB 3.94Å; P318-W327 HydrophobicContact CB-CB 4.42Å; P318-W327 HydrophobicContact CB-CE3 4.14Å; P318-W327 HydrophobicContact CG-CE3 4.47Å; P318-A328 CarbonylContact C-O 3.15Å; P318-A328 WeakPolarHBondContact CA-O 3.4Å; P318-A329 HydrophobicContact CB-CB 4.46Å
319V90.8Very high86.9Confident106 Ų10673 Ų7364%0.64236%0.356SS*.EExtended strand (participates in β ladder)trans-116.2138.8173.4-178.80000108.2N321 A328V319-N321 PolarHBondContact O-N 3.44Å; V319-A328 PolarHBondContact N-O 2.95Å; V319-A328 PolarHBondContact O-N 3.47Å; V319-A328 VanDerWaalsContact O-O 3.05Å
320Y88.2Confident87.9Confident74 Ų7471.6 Ų71.629%0.2935%0.352SS..EExtended strand (participates in β ladder)trans-75.1120.8177.5-174-106.8000110.7M1 S322 R325 W327M1-Y320 HydrophobicContact CE-CE2 3.55Å; M1-Y320 WeakPolarHBondContact CE-OH 3.48Å; Y320-S322 PolarHBondContact O-N 2.95Å; Y320-R325 WeakPolarHBondContact OH-CA 3.12Å; Y320-R325 WeakPolarHBondContact OH-CB 3.4Å; Y320-W327 HydrophobicContact CD2-CD2 4Å; Y320-W327 AromaticContact CD2-CE2 3.76Å; Y320-W327 HydrophobicContact CD2-CG 4.16Å; Y320-W327 HydrophobicContact CD2-CZ2 4.24Å; Y320-W327 AromaticContact CD2-NE1 3.76Å; Y320-W327 HydrophobicContact CG-CZ2 4.44Å
321N85.9Confident88.2Confident47 Ų4771.4 Ų71.425%0.25135%0.345SS..EExtended strand (participates in β ladder)trans-85.8104173.1-176.3-32.6000109.1V319 K323 N324 R325 Y326V319-N321 PolarHBondContact O-N 3.44Å; N321-K323 VanDerWaalsContact C-N 3.35Å; N321-K323 PolarHBondContact O-N 2.88Å; N321-K323 WeakPolarHBondContact OD1-CB 3.38Å; N321-K323 PolarHBondContact OD1-N 2.87Å; N321-K323 VanDerWaalsContact OD1-N 3.09Å; N321-N324 PolarHBondContact ND2-ND2 3.38Å; N321-N324 PolarHBondContact OD1-N 2.74Å; N321-R325 VanDerWaalsContact O-CA 3.22Å; N321-R325 WeakPolarHBondContact O-CA 3.16Å; N321-R325 PolarHBondContact O-N 3.13Å; N321-Y326 HydrophobicContact CB-CE1 4.39Å; N321-Y326 WeakPolarHBondContact CB-O 3.32Å; N321-Y326 PolarHBondContact N-O 2.81Å; N321-Y326 PolarHBondContact O-N 2.84Å
322S84.5Confident88.2Confident95 Ų9569 Ų6966%0.66434%0.34SS*.THydrogen-bonded Turntrans-64.7-35.1-179.256.50000113.5Y320Y320-S322 PolarHBondContact O-N 2.95Å
323K84.3Confident88.1Confident181 Ų18167 Ų6779%0.78733%0.331SS*.THydrogen-bonded Turntrans-64.5-48.3-179.8-173.9-177.7177.9178.80111.5N321N321-K323 VanDerWaalsContact C-N 3.35Å; N321-K323 PolarHBondContact O-N 2.88Å; N321-K323 WeakPolarHBondContact OD1-CB 3.38Å; N321-K323 PolarHBondContact OD1-N 2.87Å; N321-K323 VanDerWaalsContact OD1-N 3.09Å
324N77Confident88Confident75 Ų7565.6 Ų65.640%0.40132%0.321SS..THydrogen-bonded Turntrans-100.4-2.9-174-62.4-19.2000113.2N321 Y326N321-N324 PolarHBondContact ND2-ND2 3.38Å; N321-N324 PolarHBondContact OD1-N 2.74Å; N324-Y326 HydrophobicContact CB-CD1 3.45Å; N324-Y326 VanDerWaalsContact CB-CD1 3.45Å; N324-Y326 HydrophobicContact CB-CE1 3.26Å
325R81.8Confident87.8Confident167 Ų16766.2 Ų66.263%0.6332%0.324SS*.THydrogen-bonded Turntrans60.439175-56.8-179.5178.7175.8-1115.6R233 Y320 N321R233-R325 WeakPolarHBondContact CB-O 3.33Å; R233-R325 WeakPolarHBondContact CD-O 3.28Å; R233-R325 WeakPolarHBondContact CG-O 3.12Å; Y320-R325 WeakPolarHBondContact OH-CA 3.12Å; Y320-R325 WeakPolarHBondContact OH-CB 3.4Å; N321-R325 VanDerWaalsContact O-CA 3.22Å; N321-R325 WeakPolarHBondContact O-CA 3.16Å; N321-R325 PolarHBondContact O-N 3.13Å
326Y85.1Confident87.4Confident70 Ų7063 Ų6328%0.27531%0.307SS..EExtended strand (participates in β ladder)trans-140.7162.8177.873.4-83.9000112.3N321 N324 A328N321-Y326 HydrophobicContact CB-CE1 4.39Å; N321-Y326 WeakPolarHBondContact CB-O 3.32Å; N321-Y326 PolarHBondContact N-O 2.81Å; N321-Y326 PolarHBondContact O-N 2.84Å; N324-Y326 HydrophobicContact CB-CD1 3.45Å; N324-Y326 VanDerWaalsContact CB-CD1 3.45Å; N324-Y326 HydrophobicContact CB-CE1 3.26Å; Y326-A328 HydrophobicContact CD2-CB 4.07Å; Y326-A328 HydrophobicContact CE2-CB 3.44Å; Y326-A328 VanDerWaalsContact CE2-CB 3.44Å
327W87.9Confident86.6Confident47 Ų4763.1 Ų63.118%0.17831%0.309CS..EExtended strand (participates in β ladder)trans-86128.1174.9-70.994.9000110.7A230 V235 V236 F237 P318 Y320A230-W327 HydrophobicContact CB-CB 4.06Å; A230-W327 PolarHBondContact N-O 2.96Å; V235-W327 PolarHBondContact O-NE1 3.37Å; V235-W327 VanDerWaalsContact O-NE1 3.11Å; V236-W327 HydrophobicContact CB-CZ2 4.37Å; V236-W327 HydrophobicContact CG1-CH2 4.26Å; V236-W327 HydrophobicContact CG1-CZ2 3.93Å; V236-W327 HydrophobicContact CG2-CZ2 3.96Å; F237-W327 HydrophobicContact CD2-CB 4.03Å; F237-W327 HydrophobicContact CD2-CG 4.21Å; P318-W327 HydrophobicContact CB-CB 4.42Å; P318-W327 HydrophobicContact CB-CE3 4.14Å; P318-W327 HydrophobicContact CG-CE3 4.47Å; Y320-W327 HydrophobicContact CD2-CD2 4Å; Y320-W327 AromaticContact CD2-CE2 3.76Å; Y320-W327 HydrophobicContact CD2-CG 4.16Å; Y320-W327 HydrophobicContact CD2-CZ2 4.24Å; Y320-W327 AromaticContact CD2-NE1 3.76Å; Y320-W327 HydrophobicContact CG-CZ2 4.44Å
328A90.4Very high85.4Confident16 Ų1659 Ų5913%0.13230%0.301CS..EExtended strand (participates in β ladder)trans-137148.6-178.400000110.7C228 P318 V319 Y326C228-A328 CarbonylContact O-C 3.59Å; C228-A328 VanDerWaalsContact O-CA 3.28Å; C228-A328 WeakPolarHBondContact O-CA 3.3Å; P318-A328 CarbonylContact C-O 3.15Å; P318-A328 WeakPolarHBondContact CA-O 3.4Å; V319-A328 PolarHBondContact N-O 2.95Å; V319-A328 PolarHBondContact O-N 3.47Å; V319-A328 VanDerWaalsContact O-O 3.05Å; Y326-A328 HydrophobicContact CD2-CB 4.07Å; Y326-A328 HydrophobicContact CE2-CB 3.44Å; Y326-A328 VanDerWaalsContact CE2-CB 3.44Å
329A90.5Very high83.5Confident2 Ų266.9 Ų66.92%0.01733%0.328CS..EExtended strand (participates in β ladder)trans-127.7128.5168.400000108.9N227 C228 F240 I316 P318N227-A329 CarbonylContact C-O 3.54Å; N227-A329 VanDerWaalsContact CA-O 3.31Å; N227-A329 WeakPolarHBondContact CA-O 3.37Å; C228-A329 PolarHBondContact N-O 3.06Å; C228-A329 PolarHBondContact O-N 3.18Å; F240-A329 HydrophobicContact CD2-CB 3.47Å; F240-A329 VanDerWaalsContact CD2-CB 3.47Å; F240-A329 HydrophobicContact CE2-CB 3.89Å; I316-A329 HydrophobicContact CB-CB 4.07Å; I316-A329 HydrophobicContact CG2-CB 3.59Å; P318-A329 HydrophobicContact CB-CB 4.46Å
330T89.1Confident81.6Confident91 Ų9164.8 Ų64.856%0.55831%0.311SS*.EExtended strand (participates in β ladder)trans-122.9126.3176.8-71.10000108.4M226 N227M226-T330 WeakPolarHBondContact O-CA 3.41Å; N227-T330 VanDerWaalsContact OD1-CB 3.29Å; N227-T330 WeakPolarHBondContact OD1-CB 3.4Å; N227-T330 WeakPolarHBondContact OD1-CG2 3.48Å; N227-T330 PolarHBondContact OD1-OG1 2.81Å
331Y89.6Confident79.5Confident38 Ų3868.2 Ų68.215%0.14933%0.328CS..EExtended strand (participates in β ladder)trans-129.6118.3172.4-159.7-92000110.8A225 M226 M280 K281 I316 H333 L334A225-Y331 CarbonylContact C-O 3.48Å; A225-Y331 WeakPolarHBondContact CA-O 3.36Å; M226-Y331 PolarHBondContact N-O 2.81Å; M226-Y331 PolarHBondContact O-N 2.83Å; M280-Y331 HydrophobicContact CB-CE1 4.01Å; M280-Y331 HydrophobicContact CE-CD1 3.95Å; M280-Y331 HydrophobicContact CE-CD2 3.51Å; M280-Y331 HydrophobicContact CE-CE1 3.8Å; M280-Y331 HydrophobicContact CE-CE2 3.34Å; M280-Y331 HydrophobicContact CE-CG 3.81Å; M280-Y331 VanDerWaalsContact CE-CZ 3.49Å; M280-Y331 HydrophobicContact CG-CE1 4.37Å; K281-Y331 VanDerWaalsContact C-OH 3.31Å; K281-Y331 PolarHBondContact O-OH 3.07Å; I316-Y331 HydrophobicContact CD1-CG 4.46Å; Y331-H333 HydrophobicContact CE1-CB 4.03Å; Y331-H333 WeakPolarHBondContact CE1-O 3.32Å; Y331-L334 HydrophobicContact CD1-CD2 3.57Å; Y331-L334 HydrophobicContact CD1-CG 3.9Å; Y331-L334 HydrophobicContact CE1-CD2 4.09Å; Y331-L334 HydrophobicContact CG-CD2 4.37Å
332P86.2Confident77.5Confident52 Ų5269.8 Ų69.834%0.33836%0.355SS..EExtended strand (participates in β ladder)trans-85.8-10.9-169.633.3-37000114.4F224 T283F224-P332 CarbonylContact O-C 3.49Å; T283-P332 HydrophobicContact CG2-CG 3.65Å
333H88.2Confident75.7Confident60 Ų6070.3 Ų70.328%0.27834%0.342SS..EExtended strand (participates in β ladder)trans-131.250.2-165-63.2-23000113.2L223 K281 Y331L223-H333 HydrophobicContact CD2-CB 3.88Å; K281-H333 HydrophobicContact CB-CB 4.19Å; K281-H333 PolarHBondContact N-O 3.15Å; K281-H333 WeakPolarHBondContact O-CB 3.45Å; Y331-H333 HydrophobicContact CE1-CB 4.03Å; Y331-H333 WeakPolarHBondContact CE1-O 3.32Å
334L88.2Confident73.2Confident0 Ų071 Ų710%035%0.349CS..EExtended strand (participates in β ladder)trans-80.9151.6168.3-64.6-173.9000110.8L223 F224 M226 I242 M280 V314 Y331L223-L334 WeakPolarHBondContact CA-O 3.42Å; F224-L334 HydrophobicContact CD1-CB 4.33Å; F224-L334 WeakPolarHBondContact CD1-O 3.27Å; F224-L334 HydrophobicContact CD2-CB 4.19Å; F224-L334 HydrophobicContact CE1-CB 3.91Å; F224-L334 HydrophobicContact CE2-CB 3.75Å; F224-L334 HydrophobicContact CE2-CD1 3.94Å; F224-L334 HydrophobicContact CE2-CG 4.46Å; F224-L334 HydrophobicContact CG-CB 4.46Å; F224-L334 HydrophobicContact CZ-CB 3.6Å; F224-L334 HydrophobicContact CZ-CD1 4.23Å; F224-L334 PolarHBondContact N-O 2.82Å; F224-L334 PolarHBondContact O-N 2.99Å; M226-L334 HydrophobicContact CB-CD1 3.51Å; M226-L334 HydrophobicContact CB-CG 4.47Å; M226-L334 HydrophobicContact CG-CD1 4.26Å; I242-L334 HydrophobicContact CD1-CD1 4.43Å; M280-L334 HydrophobicContact CB-CD2 4.46Å; M280-L334 HydrophobicContact CE-CD2 4.49Å; M280-L334 HydrophobicContact CG-CD2 3.63Å; V314-L334 HydrophobicContact CG2-CD2 4.18Å; Y331-L334 HydrophobicContact CD1-CD2 3.57Å; Y331-L334 HydrophobicContact CD1-CG 3.9Å; Y331-L334 HydrophobicContact CE1-CD2 4.09Å; Y331-L334 HydrophobicContact CG-CD2 4.37Å
335L86.3Confident71.3Confident17 Ų1769.9 Ų69.99%0.08935%0.347CS..EExtended strand (participates in β ladder)trans-134.1135.3179.4-94.8140.3000108.8N221 L223 L278 A279 K281N221-L335 HydrophobicContact CB-CD2 4.24Å; N221-L335 VanDerWaalsContact O-CD2 3.27Å; N221-L335 WeakPolarHBondContact O-CD2 3.47Å; L223-L335 HydrophobicContact CD2-CD1 3.44Å; L223-L335 VanDerWaalsContact CD2-CD1 3.44Å; L223-L335 HydrophobicContact CD2-CG 3.81Å; L223-L335 HydrophobicContact CG-CD1 4.31Å; L223-L335 HydrophobicContact CG-CG 4.46Å; L278-L335 CarbonylContact C-O 3.55Å; L278-L335 VanDerWaalsContact CA-O 3.3Å; L278-L335 WeakPolarHBondContact CA-O 2.99Å; A279-L335 HydrophobicContact CB-CB 4.12Å; A279-L335 PolarHBondContact N-O 3.21Å; A279-L335 PolarHBondContact O-N 3.45Å; K281-L335 HydrophobicContact CB-CD1 4.16Å
336C85.1Confident69.1Low2 Ų269.9 Ų69.91%0.01436%0.357CS..EExtended strand (participates in β ladder)trans-92.8120164.8-176.60000108.6N221 F224 L277 L278N221-C336 PolarHBondContact N-O 3.01Å; F224-C336 HydrophobicContact CE1-CB 4.42Å; L277-C336 WeakPolarHBondContact O-CA 3.21Å; L278-C336 HydrophobicContact CD2-CB 4.35Å
337T75.7Confident66.5Low12 Ų1273.1 Ų73.17%0.07438%0.375CS..EExtended strand (participates in β ladder)trans-111.1134.4179.860.20000108.7L277 A279 S310 R339L277-T337 WeakPolarHBondContact CB-O 3.3Å; L277-T337 WeakPolarHBondContact CB-OG1 3.28Å; L277-T337 PolarHBondContact N-O 3.09Å; L277-T337 PolarHBondContact O-N 3.22Å; A279-T337 HydrophobicContact CB-CG2 3.9Å; S310-T337 WeakPolarHBondContact CB-OG1 3.46Å; S310-T337 WeakPolarHBondContact OG-CB 3.33Å; S310-T337 WeakPolarHBondContact OG-CG2 3.3Å; S310-T337 PolarHBondContact OG-OG1 2.99Å; T337-R339 PolarHBondContact O-N 3.42Å
338T66.6Low64Low73 Ų7374 Ų7445%0.44839%0.388SS..  trans-83.3122.8-173.3480000112.6T220 T404T220-T338 HydrophobicContact CG2-CG2 3.29Å; T338-T404 HydrophobicContact CG2-CG2 4.03Å
339R52.4Low61.8Low180 Ų18075.8 Ų75.868%0.67940%0.399SS*.  -137.2100.4125.9-148.3179-171.7-140.51106.7L277 T337 K341L277-R339 HydrophobicContact CD1-CB 4.43Å; T337-R339 PolarHBondContact O-N 3.42Å; R339-K341 PolarHBondContact O-N 3.49Å
340Q51.8Low59.3Low61 Ų6180.2 Ų80.229%0.28542%0.416SS..  trans-66.386.2170.2-74.7179.4-8.900107.4G342 R343Q340-G342 PolarHBondContact O-N 2.91Å; Q340-G342 VanDerWaalsContact O-N 3.12Å; Q340-R343 HydrophobicContact CB-CB 4.24Å
341K44Very low56.9Low147 Ų14781.6 Ų81.664%0.63942%0.417SS*.THydrogen-bonded Turntrans-66.3111171.8-89.7-177.6179.2171.60106.8E312 R339E312-K341 IonicContact OE1-NZ 3.21Å; R339-K341 PolarHBondContact O-N 3.49Å
342G42.3Very low54.6Low80 Ų8081.8 Ų81.883%0.82542%0.42SS*.THydrogen-bonded Turntrans121.4-3.5174.400000116.2Q340Q340-G342 PolarHBondContact O-N 2.91Å; Q340-G342 VanDerWaalsContact O-N 3.12Å
343R47.4Very low52.4Low105 Ų10580.5 Ų80.540%0.39641%0.41SS..  trans-103.576178.1-143.8-179.3-170.6-177.98.6111.3Q340 S345 Y419Q340-R343 HydrophobicContact CB-CB 4.24Å; R343-S345 VanDerWaalsContact C-N 3.34Å; R343-Y419 PolarHBondContact NH1-OH 3.04Å
344Q32.6Very low49.8Very low197 Ų19778.8 Ų78.892%0.92141%0.405SS*.  trans-94.570.5156.9-68.9-164.71.200108
345S36.3Very low47.2Very low51 Ų5181.9 Ų81.936%0.35743%0.425SS..  trans-106.9112.5166.1175.30000107R343 D352R343-S345 VanDerWaalsContact C-N 3.34Å; S345-D352 PolarHBondContact OG-OD2 3.04Å
346I35.3Very low44.6Very low167 Ų16786 Ų8686%0.85646%0.455SS*.  trans-87.83.9175.8-26.5175.1000110
347H31.4Very low42.2Very low138 Ų13888.8 Ų88.864%0.63948%0.484SS*.SBendtrans-101.6150.1-174-77.3-45.9000113.5
348S34.9Very low40.4Very low66 Ų6694.2 Ų94.246%0.46252%0.518SS..  trans-56.3136.4179.51790000111.1Y350 Q351S348-Y350 PolarHBondContact O-N 2.95Å; S348-Q351 PolarHBondContact O-N 3.08Å; S348-Q351 VanDerWaalsContact O-N 3.15Å
349S43.6Very low38.6Very low52 Ų5298.2 Ų98.236%0.36454%0.536SS..THydrogen-bonded Turntrans-56.8-1.6-174.159.20000116.5L353S349-L353 WeakPolarHBondContact O-CD1 3.37Å
350Y39Very low37.7Very low96 Ų9694.7 Ų94.738%0.37654%0.54SS..THydrogen-bonded Turntrans-87.8-31.4179.5-137.2-91.1000112.7S348 L506 C507 P508S348-Y350 PolarHBondContact O-N 2.95Å; Y350-L506 PolarHBondContact OH-O 3.06Å; Y350-C507 VanDerWaalsContact OH-CA 3.3Å; Y350-C507 WeakPolarHBondContact OH-CA 3.4Å; Y350-P508 WeakPolarHBondContact OH-CD 3.31Å
351Q37.2Very low36.6Very low120 Ų12097.2 Ų97.256%0.56156%0.564SS**G310 helixtrans-78.3-29.2178.2-83.1167.2-28.400112.1S348 L353S348-Q351 PolarHBondContact O-N 3.08Å; S348-Q351 VanDerWaalsContact O-N 3.15Å; Q351-L353 VanDerWaalsContact C-N 3.26Å; Q351-L353 PolarHBondContact O-N 3.22Å
352D41.3Very low36Very low42 Ų4295.5 Ų95.523%0.22558%0.577CS.*G310 helixtrans-78.41.4-179.9-81-16.8000114.5S345 G370 K371S345-D352 PolarHBondContact OG-OD2 3.04Å; D352-G370 CarbonylContact O-C 3.58Å; D352-G370 WeakPolarHBondContact O-CA 3.3Å; D352-K371 PolarHBondContact O-N 3.18Å
353L41Very low35.4Very low24 Ų2496.5 Ų96.513%0.12657%0.571CS.*G310 helixtrans-119.50.5-178.7-62.5172.1000113.8S349 Q351 R372 S418S349-L353 WeakPolarHBondContact O-CD1 3.37Å; Q351-L353 VanDerWaalsContact C-N 3.26Å; Q351-L353 PolarHBondContact O-N 3.22Å; L353-R372 HydrophobicContact CD2-CG 4.22Å; L353-S418 WeakPolarHBondContact CD1-OG 3.31Å
354S33.3Very low34.4Very low24 Ų2499.3 Ų99.317%0.16859%0.594CS.*SBendtrans-108.2144.2174-520000109.3S356 G370 K503S354-S356 PolarHBondContact O-N 2.59Å; S354-G370 PolarHBondContact O-N 2.8Å; S354-K503 WeakPolarHBondContact OG-CE 3.44Å
355P33.7Very low34.3Very low66 Ų6696.4 Ų96.443%0.42959%0.585SS.*BIsolated β-bridgetrans-63.3120.4155.310.5-0.8000106.6G357P355-G357 VanDerWaalsContact C-N 3.29Å; P355-G357 PolarHBondContact O-N 3.36Å
356S32.3Very low34Very low102 Ų102103.5 Ų103.571%0.71361%0.609SS**  trans-65.490.5175.6-60.40000109S354S354-S356 PolarHBondContact O-N 2.59Å
357G34Very low34Very low61 Ų61103 Ų10363%0.62961%0.608SS**  trans-77.3121.4165.800000109.7P355P355-G357 VanDerWaalsContact C-N 3.29Å; P355-G357 PolarHBondContact O-N 3.36Å
358T37.5Very low34.1Very low126 Ų12698.9 Ų98.977%0.77360%0.603SS**  trans63.995.1157.557.40000117.7
359N29.9Very low34.4Very low157 Ų15798.5 Ų98.584%0.8460%0.601SS**  -167.8107.9121.9-86.9-18.5000112
360S32Very low34.6Very low107 Ų10796.5 Ų96.575%0.74859%0.589SS**  trans26.6107.5148.956.80000120.7
361S30.1Very low35.7Very low113 Ų11399.5 Ų99.579%0.7960%0.603SS**  162.8122.910349.90000111.3S363S361-S363 PolarHBondContact O-N 3.38Å
362A31.7Very low37.5Very low112 Ų11295.4 Ų95.493%0.92658%0.583SS**  trans42.267.7158.900000118.4
363S28.1Very low39.4Very low100 Ų10093.6 Ų93.670%0.69957%0.574SS**  trans-151.2136.7146.958.80000109.5S361 D365S361-S363 PolarHBondContact O-N 3.38Å; S363-D365 PolarHBondContact O-N 2.78Å
364N27.1Very low41.7Very low164 Ų16492.6 Ų92.688%0.87757%0.568SS**  trans-79.125.1-170.7-110-13.1000113.7K366N364-K366 PolarHBondContact O-N 2.85Å
365D29.7Very low44.4Very low136 Ų13692.6 Ų92.673%0.72757%0.565SS**  trans-90.481.4-177.3-76.9-16.7000111.4S363 N367S363-D365 PolarHBondContact O-N 2.78Å; D365-N367 PolarHBondContact O-N 2.82Å; D365-N367 VanDerWaalsContact O-N 3.09Å
366K31.4Very low47.2Very low200 Ų20089.5 Ų89.587%0.8755%0.545SS*.THydrogen-bonded Turntrans-67.34.7170.5-79.7-174.6175.41800114.7N364N364-K366 PolarHBondContact O-N 2.85Å
367N34.2Very low50.2Low156 Ų15684.7 Ų84.783%0.83451%0.511SS*.THydrogen-bonded Turntrans-115.513.3-175.8-84.618.7000115.3D365 S369D365-N367 PolarHBondContact O-N 2.82Å; D365-N367 VanDerWaalsContact O-N 3.09Å; N367-S369 PolarHBondContact O-N 2.86Å
368G33.8Very low53Low52 Ų5282.1 Ų82.154%0.53648%0.483SS..  trans-74.754.5178.200000114.9G370G368-G370 PolarHBondContact O-N 2.86Å
369S41.3Very low55.7Low59 Ų5976.1 Ų76.141%0.41345%0.446SS..BIsolated β-bridgetrans-60.6128.1159.2163.70000107.8N367 K371N367-S369 PolarHBondContact O-N 2.86Å; S369-K371 PolarHBondContact O-N 2.97Å
370G48.6Very low58.8Low10 Ų1070.7 Ų70.710%0.10342%0.415CS..  trans-48.5134.6170.200000110.8D352 S354 G368 R372D352-G370 CarbonylContact O-C 3.58Å; D352-G370 WeakPolarHBondContact O-CA 3.3Å; S354-G370 PolarHBondContact O-N 2.8Å; G368-G370 PolarHBondContact O-N 2.86Å; G370-R372 PolarHBondContact O-N 3.4Å; G370-R372 VanDerWaalsContact O-N 3.1Å
371K61.4Low61.7Low158 Ų15865.6 Ų65.669%0.68738%0.379SS*.  trans-73.3105.7-171.5-68.2-169.5178.4-167.60110.6D352 S369D352-K371 PolarHBondContact O-N 3.18Å; S369-K371 PolarHBondContact O-N 2.97Å
372R74.6Confident64.7Low35 Ų3561.1 Ų61.113%0.13235%0.347CS..  trans-66.7145.7178-66.7174.3-178.5146.50.1111L353 G370 I374 W439 D441L353-R372 HydrophobicContact CD2-CG 4.22Å; G370-R372 PolarHBondContact O-N 3.4Å; G370-R372 VanDerWaalsContact O-N 3.1Å; R372-I374 HydrophobicContact CB-CD1 3.72Å; R372-I374 HydrophobicContact CB-CG1 4.01Å; R372-I374 PolarHBondContact O-N 3.01Å; R372-W439 VanDerWaalsContact CZ-CE2 3.45Å; R372-D441 IonicContact CZ-OD1 2.7Å; R372-D441 IonicContact NH2-OD1 2.62Å; R372-D441 PolarHBondContact NH2-OD1 3.11Å; R372-D441 IonicContact NH2-OD2 3Å
373P81.2Confident67.5Low4 Ų455.9 Ų55.93%0.02630%0.304CS..  trans-80.743-175.636.1-38.9000112.4F375 T401 Y419P373-F375 WeakPolarHBondContact O-CD2 3.36Å; P373-F375 WeakPolarHBondContact O-CE2 3.3Å; P373-T401 HydrophobicContact CG-CG2 4.31Å; P373-T401 WeakPolarHBondContact O-CA 3.3Å; P373-T401 WeakPolarHBondContact O-CB 3.38Å; P373-T401 WeakPolarHBondContact O-CG2 3.5Å; P373-Y419 HydrophobicContact CB-CD1 3.94Å; P373-Y419 HydrophobicContact CB-CE1 3.52Å; P373-Y419 HydrophobicContact CB-CE2 4.42Å; P373-Y419 HydrophobicContact CG-CD1 3.48Å; P373-Y419 VanDerWaalsContact CG-CD1 3.48Å; P373-Y419 HydrophobicContact CG-CE1 3.46Å; P373-Y419 VanDerWaalsContact CG-CE1 3.46Å; P373-Y419 HydrophobicContact CG-CG 4.31Å
374I89.3Confident70.4Confident2 Ų253.7 Ų53.71%0.0128%0.281CS..  trans-97.7128.2-173.1-60.8165000109.3E247 R372 Y376 P399 T422 L426E247-I374 HydrophobicContact CB-CB 4.25Å; E247-I374 HydrophobicContact CB-CG2 4.27Å; E247-I374 HydrophobicContact CG-CG2 4.48Å; E247-I374 PolarHBondContact N-O 3.29Å; E247-I374 WeakPolarHBondContact OE1-CD1 3.37Å; R372-I374 HydrophobicContact CB-CD1 3.72Å; R372-I374 HydrophobicContact CB-CG1 4.01Å; R372-I374 PolarHBondContact O-N 3.01Å; I374-Y376 HydrophobicContact CG2-CD2 4.38Å; I374-Y376 HydrophobicContact CG2-CE2 3.68Å; I374-P399 HydrophobicContact CG2-CB 3.68Å; I374-T422 HydrophobicContact CD1-CG2 4.24Å; I374-T422 HydrophobicContact CG1-CG2 3.98Å; I374-L426 HydrophobicContact CD1-CD1 3.72Å; I374-L426 HydrophobicContact CD1-CD2 4.49Å; I374-L426 HydrophobicContact CG1-CD1 3.95Å; I374-L426 HydrophobicContact CG2-CD1 4.5Å
375F91Very high73.4Confident24 Ų2445.9 Ų45.911%0.10524%0.24CC..EExtended strand (participates in β ladder)trans-130.9156.5179.9-56.8-80.5000111V244 V245 A275 P373 P399 F400 I402V244-F375 HydrophobicContact CG1-CB 4.01Å; V244-F375 HydrophobicContact CG1-CD1 4.17Å; V244-F375 HydrophobicContact CG1-CG 4.31Å; V245-F375 WeakPolarHBondContact O-CA 2.99Å; A275-F375 HydrophobicContact CB-CD1 3.84Å; A275-F375 HydrophobicContact CB-CE1 3.87Å; P373-F375 WeakPolarHBondContact O-CD2 3.36Å; P373-F375 WeakPolarHBondContact O-CE2 3.3Å; F375-P399 CarbonylContact O-C 3.59Å; F375-P399 WeakPolarHBondContact O-CA 3.32Å; F375-F400 HydrophobicContact CB-CD2 4.27Å; F375-F400 HydrophobicContact CB-CE1 4.17Å; F375-F400 HydrophobicContact CB-CE2 3.85Å; F375-F400 HydrophobicContact CB-CZ 3.81Å; F375-F400 PolarHBondContact N-O 2.89Å; F375-F400 VanDerWaalsContact O-CD1 3.3Å; F375-F400 WeakPolarHBondContact O-CD1 3.2Å; F375-F400 PolarHBondContact O-N 3.03Å; F375-I402 HydrophobicContact CD1-CD1 4.41Å; F375-I402 HydrophobicContact CD2-CB 4.28Å; F375-I402 HydrophobicContact CD2-CD1 3.88Å; F375-I402 HydrophobicContact CD2-CG1 3.84Å; F375-I402 HydrophobicContact CE2-CB 4.14Å; F375-I402 HydrophobicContact CE2-CD1 4.17Å; F375-I402 HydrophobicContact CE2-CG1 4.18Å; F375-I402 HydrophobicContact CG-CD1 4Å; F375-I402 HydrophobicContact CG-CG1 4.39Å
376Y93.1Very high76.1Confident1 Ų139.6 Ų39.60%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-130148.1176.3-67.6-97.3000109.6V244 V245 E247 A250 I374 L396 S397 P399 L436 L437V244-Y376 WeakPolarHBondContact CA-O 3.25Å; V245-Y376 PolarHBondContact N-O 2.95Å; V245-Y376 PolarHBondContact O-N 3.44Å; E247-Y376 HydrophobicContact CB-CE2 4.42Å; E247-Y376 HydrophobicContact CG-CE2 4.45Å; A250-Y376 HydrophobicContact CB-CD2 3.6Å; A250-Y376 HydrophobicContact CB-CE2 4.18Å; A250-Y376 HydrophobicContact CB-CG 3.9Å; I374-Y376 HydrophobicContact CG2-CD2 4.38Å; I374-Y376 HydrophobicContact CG2-CE2 3.68Å; Y376-L396 HydrophobicContact CD1-CB 4.39Å; Y376-S397 VanDerWaalsContact CD1-O 3.23Å; Y376-S397 WeakPolarHBondContact CD1-O 3.29Å; Y376-P399 HydrophobicContact CE1-CB 3.85Å; Y376-P399 HydrophobicContact CE1-CG 4.23Å; Y376-P399 HydrophobicContact CE2-CB 4.18Å; Y376-L436 HydrophobicContact CD1-CD2 4.11Å; Y376-L436 HydrophobicContact CD2-CD2 4.43Å; Y376-L436 HydrophobicContact CE1-CD2 3.64Å; Y376-L436 HydrophobicContact CE2-CD2 4Å; Y376-L436 HydrophobicContact CG-CD2 4.49Å; Y376-L437 PolarHBondContact OH-N 2.59Å
377F93.3Very high78.6Confident1 Ų131.5 Ų31.50%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-83.6121.1162.8-69.7-71.8000106.9L218 F224 M226 I242 Q243 V244 L278 I379 L396 S397 F400L218-F377 HydrophobicContact CD1-CE2 3.93Å; L218-F377 HydrophobicContact CD1-CZ 3.51Å; F224-F377 HydrophobicContact CE2-CE1 4.14Å; F224-F377 HydrophobicContact CE2-CE2 4.41Å; F224-F377 AromaticContact CE2-CZ 3.59Å; F224-F377 HydrophobicContact CE2-CZ 3.59Å; F224-F377 HydrophobicContact CZ-CE1 4.03Å; F224-F377 AromaticContact CZ-CZ 3.71Å; F224-F377 HydrophobicContact CZ-CZ 3.71Å; M226-F377 HydrophobicContact CE-CB 4.24Å; M226-F377 HydrophobicContact CE-CD1 3.82Å; M226-F377 HydrophobicContact CE-CD2 3.57Å; M226-F377 HydrophobicContact CE-CE1 3.96Å; M226-F377 HydrophobicContact CE-CE2 3.72Å; M226-F377 HydrophobicContact CE-CG 3.61Å; M226-F377 HydrophobicContact CE-CZ 3.9Å; I242-F377 HydrophobicContact CG2-CD1 3.81Å; I242-F377 HydrophobicContact CG2-CE1 4.46Å; Q243-F377 CarbonylContact O-C 3.59Å; Q243-F377 WeakPolarHBondContact O-CA 3.48Å; V244-F377 HydrophobicContact CG2-CD1 3.93Å; V244-F377 HydrophobicContact CG2-CE1 3.7Å; L278-F377 HydrophobicContact CD2-CE1 4.41Å; F377-I379 HydrophobicContact CB-CD1 3.79Å; F377-I379 WeakPolarHBondContact O-CD1 3.44Å; F377-L396 CarbonylContact O-C 2.91Å; F377-L396 VanDerWaalsContact O-CA 3.28Å; F377-L396 WeakPolarHBondContact O-CA 3.46Å; F377-S397 PolarHBondContact N-OG 3.36Å; F377-S397 PolarHBondContact O-N 3.43Å; F377-F400 HydrophobicContact CD1-CE1 4.26Å; F377-F400 HydrophobicContact CD1-CZ 4.26Å; F377-F400 AromaticContact CD2-CD1 3.92Å; F377-F400 HydrophobicContact CD2-CD1 3.92Å; F377-F400 AromaticContact CD2-CE1 3.31Å; F377-F400 HydrophobicContact CD2-CE1 3.31Å; F377-F400 AromaticContact CD2-CZ 3.95Å; F377-F400 HydrophobicContact CD2-CZ 3.95Å; F377-F400 HydrophobicContact CE1-CE1 4.34Å; F377-F400 HydrophobicContact CE1-CZ 4.02Å; F377-F400 AromaticContact CE2-CD1 3.93Å; F377-F400 HydrophobicContact CE2-CD1 3.93Å; F377-F400 AromaticContact CE2-CE1 3.41Å; F377-F400 HydrophobicContact CE2-CE1 3.41Å; F377-F400 VanDerWaalsContact CE2-CE1 3.41Å; F377-F400 HydrophobicContact CE2-CE2 4.39Å; F377-F400 AromaticContact CE2-CZ 3.68Å; F377-F400 HydrophobicContact CE2-CZ 3.68Å; F377-F400 AromaticContact CG-CE1 3.78Å; F377-F400 HydrophobicContact CG-CE1 3.78Å; F377-F400 HydrophobicContact CG-CZ 4.24Å; F377-F400 AromaticContact CZ-CE1 3.95Å; F377-F400 HydrophobicContact CZ-CE1 3.95Å; F377-F400 HydrophobicContact CZ-CE2 4.36Å; F377-F400 AromaticContact CZ-CZ 3.73Å; F377-F400 HydrophobicContact CZ-CZ 3.73Å
378H94.4Very high80.8Confident7 Ų724.8 Ų24.83%0.03214%0.143CC..EExtended strand (participates in β ladder)trans-90.5122.4165.9176.6-143.7000108.4I242 Q243 V245 I253 H394 L396I242-H378 WeakPolarHBondContact CA-O 3.26Å; Q243-H378 HydrophobicContact CB-CB 4.5Å; Q243-H378 PolarHBondContact N-O 3.32Å; Q243-H378 PolarHBondContact O-N 3.11Å; V245-H378 HydrophobicContact CG1-CB 3.92Å; V245-H378 HydrophobicContact CG2-CB 4.12Å; I253-H378 HydrophobicContact CD1-CB 4.16Å; H378-H394 AromaticContact CE1-ND1 3.82Å; H378-H394 AromaticContact NE2-ND1 3.25Å; H378-H394 PolarHBondContact NE2-ND1 3.15Å; H378-L396 HydrophobicContact CB-CD2 4.13Å
379I94Very high83.2Confident0 Ų031.2 Ų31.20%015%0.151CC..EExtended strand (participates in β ladder)trans-109.3117.2175.3-62.980.8000107.1V207 A209 E241 I242 F377 H394 T395V207-I379 HydrophobicContact CG1-CG2 3.95Å; A209-I379 HydrophobicContact CB-CD1 3.37Å; A209-I379 HydrophobicContact CB-CG1 3.81Å; E241-I379 WeakPolarHBondContact O-CA 3.34Å; I242-I379 HydrophobicContact CG1-CG1 4.21Å; F377-I379 HydrophobicContact CB-CD1 3.79Å; F377-I379 WeakPolarHBondContact O-CD1 3.44Å; I379-H394 WeakPolarHBondContact O-CA 3.41Å; I379-T395 HydrophobicContact CB-CG2 3.79Å; I379-T395 HydrophobicContact CD1-CG2 4.25Å; I379-T395 HydrophobicContact CG1-CG2 4.4Å; I379-T395 HydrophobicContact CG2-CG2 4.4Å; I379-T395 PolarHBondContact N-O 3.36Å; I379-T395 PolarHBondContact O-N 3.02Å
380K94.1Very high85.5Confident44 Ų4433.5 Ų33.519%0.19115%0.154CC..EExtended strand (participates in β ladder)trans-108.6114.2172174.2179.9172.7-167.30108.2E241 T392 A393E241-K380 HydrophobicContact CB-CB 4.32Å; E241-K380 WeakPolarHBondContact CB-O 3.28Å; E241-K380 PolarHBondContact N-O 2.89Å; E241-K380 PolarHBondContact O-N 3.33Å; E241-K380 IonicContact OE2-NZ 3.34Å; K380-T392 HydrophobicContact CG-CG2 4.44Å; K380-A393 WeakPolarHBondContact CA-O 3.3Å
381A93.7Very high87.5Confident0 Ų033.6 Ų33.60%015%0.153CC..EExtended strand (participates in β ladder)trans-103.7123178.500000110.3V207 F237 D239 F240 T392 A393V207-A381 HydrophobicContact CG1-CB 4.48Å; V207-A381 HydrophobicContact CG2-CB 3.64Å; F237-A381 HydrophobicContact CD1-CB 3.81Å; F237-A381 HydrophobicContact CE1-CB 3.82Å; D239-A381 WeakPolarHBondContact O-CA 3.49Å; F240-A381 HydrophobicContact CD1-CB 3.4Å; F240-A381 VanDerWaalsContact CD1-CB 3.4Å; F240-A381 HydrophobicContact CE1-CB 3.61Å; A381-T392 CarbonylContact O-C 3.5Å; A381-T392 VanDerWaalsContact O-CA 3.31Å; A381-T392 WeakPolarHBondContact O-CA 3.29Å; A381-A393 HydrophobicContact CB-CB 4.29Å; A381-A393 PolarHBondContact N-O 3.1Å; A381-A393 PolarHBondContact O-N 2.93Å
382T92.9Very high89Confident18 Ų1827.5 Ų27.511%0.1113%0.129CC..EExtended strand (participates in β ladder)trans-90.1126175.5-49.20000109.4K238 D239 F390K238-T382 HydrophobicContact CB-CG2 4.48Å; K238-T382 HydrophobicContact CD-CG2 4.31Å; K238-T382 PolarHBondContact N-O 3.23Å; D239-T382 PolarHBondContact O-N 3.2Å; D239-T382 WeakPolarHBondContact OD1-CB 3.5Å; D239-T382 PolarHBondContact OD1-OG1 3.31Å; T382-F390 HydrophobicContact CG2-CB 3.96Å; T382-F390 HydrophobicContact CG2-CD1 3.72Å; T382-F390 HydrophobicContact CG2-CE1 4.45Å; T382-F390 HydrophobicContact CG2-CG 3.97Å
383M91.4Very high89.8Confident3 Ų325.9 Ų25.92%0.01512%0.123CC..EExtended strand (participates in β ladder)trans-120.8152.8178.866.6176.9-163.900112.3E200 M203 V235 F237 S385 A391E200-M383 HydrophobicContact CG-CE 4.36Å; M203-M383 HydrophobicContact CB-CE 3.38Å; M203-M383 HydrophobicContact CB-SD 3.6Å; M203-M383 VanDerWaalsContact CB-SD 3.6Å; M203-M383 HydrophobicContact CG-CE 3.92Å; M203-M383 HydrophobicContact CG-SD 4.01Å; V235-M383 HydrophobicContact CG1-CB 3.89Å; V235-M383 HydrophobicContact CG1-CG 4.3Å; V235-M383 HydrophobicContact CG1-SD 3.89Å; F237-M383 HydrophobicContact CD1-CB 3.84Å; F237-M383 HydrophobicContact CE1-CB 3.88Å; F237-M383 HydrophobicContact CG-CB 4.45Å; F237-M383 HydrophobicContact CZ-CB 4.49Å; M383-S385 PolarHBondContact O-N 2.9Å; M383-A391 HydrophobicContact CE-CB 3.43Å; M383-A391 VanDerWaalsContact CE-CB 3.43Å; M383-A391 HydrophobicContact CG-CB 4Å; M383-A391 WeakPolarHBondContact CG-O 3.41Å; M383-A391 PolarHBondContact N-O 2.66Å; M383-A391 PolarHBondContact O-N 2.68Å
384F88.8Confident90.4Very high53 Ų5325.7 Ų25.723%0.23212%0.122CC..EExtended strand (participates in β ladder)trans-78.9114.6174.2-67.6-82.8000109.5V236 K238 F390V236-F384 HydrophobicContact CB-CD2 4.16Å; V236-F384 HydrophobicContact CG1-CD2 3.87Å; V236-F384 HydrophobicContact CG1-CE2 4.2Å; V236-F384 PolarHBondContact O-N 3.03Å; V236-F384 VanDerWaalsContact O-N 3.11Å; K238-F384 HydrophobicContact CB-CD2 4.47Å; K238-F384 HydrophobicContact CB-CE2 3.74Å; K238-F384 HydrophobicContact CB-CZ 4.03Å; K238-F384 HydrophobicContact CG-CE2 4.41Å; K238-F384 HydrophobicContact CG-CZ 4.26Å; F384-F390 HydrophobicContact CD1-CD1 4.32Å; F384-F390 AromaticContact CD1-CE1 3.68Å; F384-F390 HydrophobicContact CD1-CE1 3.68Å; F384-F390 HydrophobicContact CE1-CD1 4.47Å; F384-F390 AromaticContact CE1-CE1 3.44Å; F384-F390 HydrophobicContact CE1-CE1 3.44Å; F384-F390 VanDerWaalsContact CE1-CE1 3.44Å; F384-F390 HydrophobicContact CE1-CZ 4.02Å; F384-F390 HydrophobicContact CG-CE1 4.46Å; F384-F390 HydrophobicContact CZ-CE1 4.06Å
385S88.7Confident90.6Very high0 Ų025.7 Ų25.70%012%0.122CC..  trans-87.3144.5179.1178.50000112E200 M383 S387 G388 R389E200-S385 VanDerWaalsContact OE1-CB 3.25Å; E200-S385 WeakPolarHBondContact OE1-CB 3.26Å; E200-S385 PolarHBondContact OE1-OG 3.37Å; M383-S385 PolarHBondContact O-N 2.9Å; S385-S387 WeakPolarHBondContact CB-OG 3.49Å; S385-S387 PolarHBondContact O-N 2.86Å; S385-S387 PolarHBondContact OG-N 2.97Å; S385-S387 VanDerWaalsContact OG-N 3.13Å; S385-S387 PolarHBondContact OG-OG 2.94Å; S385-G388 PolarHBondContact O-N 3.01Å; S385-R389 WeakPolarHBondContact CB-O 3.45Å; S385-R389 PolarHBondContact N-O 2.88Å
386P86.6Confident90.7Very high4 Ų424.6 Ų24.63%0.02612%0.117CC..THydrogen-bonded Turntrans-62.4-16.2169.827.5-36.5000113.6W4 L7 C8 N11 F196 L199 G388W4-P386 HydrophobicContact CE3-CB 4.23Å; W4-P386 HydrophobicContact CE3-CG 4Å; W4-P386 HydrophobicContact CZ3-CB 4.46Å; W4-P386 HydrophobicContact CZ3-CG 4.06Å; L7-P386 HydrophobicContact CB-CB 4.06Å; C8-P386 VanDerWaalsContact SG-CA 3.51Å; N11-P386 VanDerWaalsContact CB-O 3.29Å; N11-P386 WeakPolarHBondContact CB-O 3.34Å; N11-P386 PolarHBondContact ND2-O 3.06Å; F196-P386 HydrophobicContact CB-CG 4.09Å; F196-P386 HydrophobicContact CD1-CB 3.67Å; F196-P386 HydrophobicContact CD1-CG 3.48Å; F196-P386 VanDerWaalsContact CD1-CG 3.48Å; F196-P386 HydrophobicContact CD2-CB 4.48Å; F196-P386 HydrophobicContact CE1-CB 3.76Å; F196-P386 HydrophobicContact CE1-CG 4.08Å; F196-P386 HydrophobicContact CG-CB 4.08Å; F196-P386 HydrophobicContact CG-CG 3.8Å; F196-P386 HydrophobicContact CZ-CB 4.22Å; L199-P386 HydrophobicContact CD2-CG 3.84Å; P386-G388 PolarHBondContact O-N 3.22Å; P386-G388 VanDerWaalsContact O-N 3.14Å
387S84.6Confident90.6Very high31 Ų3124.6 Ų24.622%0.21712%0.118CC..THydrogen-bonded Turntrans-66.8-6.3169.8670000113.5E200 S385 R389E200-S387 PolarHBondContact OE1-OG 3.22Å; S385-S387 WeakPolarHBondContact CB-OG 3.49Å; S385-S387 PolarHBondContact O-N 2.86Å; S385-S387 PolarHBondContact OG-N 2.97Å; S385-S387 VanDerWaalsContact OG-N 3.13Å; S385-S387 PolarHBondContact OG-OG 2.94Å; S387-R389 PolarHBondContact O-N 3.04Å
388G79.4Confident90.5Very high15 Ų1524.6 Ų24.616%0.15512%0.118CC..SBendtrans87.9-15.1-175.600000113.5R12 S385 P386R12-G388 PolarHBondContact NE-O 2.91Å; R12-G388 VanDerWaalsContact NE-O 3.12Å; R12-G388 PolarHBondContact NH2-O 3.37Å; S385-G388 PolarHBondContact O-N 3.01Å; P386-G388 PolarHBondContact O-N 3.22Å; P386-G388 VanDerWaalsContact O-N 3.14Å
389R85.4Confident90.4Very high186 Ų18624.3 Ų24.370%0.70212%0.116SC*.SBendtrans-88.6178.9178.6-58.6-179.4-175.81703.7111.9S385 S387S385-R389 WeakPolarHBondContact CB-O 3.45Å; S385-R389 PolarHBondContact N-O 2.88Å; S387-R389 PolarHBondContact O-N 3.04Å
390F89.2Confident90.2Very high108 Ų10824.3 Ų24.347%0.47412%0.116SC..EExtended strand (participates in β ladder)trans-90.7141.6165.2-69-65.3000109.7K238 T382 F384K238-F390 HydrophobicContact CD-CE1 3.91Å; K238-F390 HydrophobicContact CD-CZ 4.13Å; T382-F390 HydrophobicContact CG2-CB 3.96Å; T382-F390 HydrophobicContact CG2-CD1 3.72Å; T382-F390 HydrophobicContact CG2-CE1 4.45Å; T382-F390 HydrophobicContact CG2-CG 3.97Å; F384-F390 HydrophobicContact CD1-CD1 4.32Å; F384-F390 AromaticContact CD1-CE1 3.68Å; F384-F390 HydrophobicContact CD1-CE1 3.68Å; F384-F390 HydrophobicContact CE1-CD1 4.47Å; F384-F390 AromaticContact CE1-CE1 3.44Å; F384-F390 HydrophobicContact CE1-CE1 3.44Å; F384-F390 VanDerWaalsContact CE1-CE1 3.44Å; F384-F390 HydrophobicContact CE1-CZ 4.02Å; F384-F390 HydrophobicContact CG-CE1 4.46Å; F384-F390 HydrophobicContact CZ-CE1 4.06Å
391A90.6Very high90Very high11 Ų1122.2 Ų22.29%0.09111%0.107CC..EExtended strand (participates in β ladder)trans-121.2160168.900000109E200 M383E200-A391 HydrophobicContact CG-CB 3.89Å; M383-A391 HydrophobicContact CE-CB 3.43Å; M383-A391 VanDerWaalsContact CE-CB 3.43Å; M383-A391 HydrophobicContact CG-CB 4Å; M383-A391 WeakPolarHBondContact CG-O 3.41Å; M383-A391 PolarHBondContact N-O 2.66Å; M383-A391 PolarHBondContact O-N 2.68Å
392T92.2Very high89.5Confident31 Ų3122.4 Ų22.419%0.1911%0.108CC..EExtended strand (participates in β ladder)trans-123.7138.6-175.954.60000111.3K380 A381 H394K380-T392 HydrophobicContact CG-CG2 4.44Å; A381-T392 CarbonylContact O-C 3.5Å; A381-T392 VanDerWaalsContact O-CA 3.31Å; A381-T392 WeakPolarHBondContact O-CA 3.29Å; T392-H394 WeakPolarHBondContact CB-NE2 3.41Å; T392-H394 PolarHBondContact OG1-NE2 3.3Å
393A92.4Very high88.9Confident0 Ų021.5 Ų21.50%010%0.103CC..EExtended strand (participates in β ladder)trans-111.5143.9169.700000109.5M203 S204 V207 K380 A381M203-A393 WeakPolarHBondContact O-CB 3.27Å; S204-A393 CarbonylContact O-C 3.55Å; S204-A393 VanDerWaalsContact O-CA 3.3Å; S204-A393 WeakPolarHBondContact O-CA 3.48Å; V207-A393 HydrophobicContact CG2-CB 3.76Å; K380-A393 WeakPolarHBondContact CA-O 3.3Å; A381-A393 HydrophobicContact CB-CB 4.29Å; A381-A393 PolarHBondContact N-O 3.1Å; A381-A393 PolarHBondContact O-N 2.93Å
394H93.1Very high88.1Confident1 Ų123.6 Ų23.61%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-129.3142.8-173.4-59.7-84.7000111.2S204 M257 I269 H378 I379 T392S204-H394 PolarHBondContact O-N 3.17Å; M257-H394 HydrophobicContact CE-CB 4.05Å; M257-H394 VanDerWaalsContact CE-O 3.24Å; M257-H394 WeakPolarHBondContact CE-O 3.13Å; M257-H394 HydrophobicContact CG-CB 4.31Å; M257-H394 HydrophobicContact SD-CB 3.8Å; I269-H394 HydrophobicContact CD1-CB 4.17Å; I269-H394 VanDerWaalsContact CD1-CD2 3.47Å; I269-H394 WeakPolarHBondContact CD1-CD2 3.26Å; H378-H394 AromaticContact CE1-ND1 3.82Å; H378-H394 AromaticContact NE2-ND1 3.25Å; H378-H394 PolarHBondContact NE2-ND1 3.15Å; I379-H394 WeakPolarHBondContact O-CA 3.41Å; T392-H394 WeakPolarHBondContact CB-NE2 3.41Å; T392-H394 PolarHBondContact OG1-NE2 3.3Å
395T93.4Very high86.8Confident2 Ų228.2 Ų28.21%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-149.9161.2168.4-167.30000110.4V207 I379V207-T395 HydrophobicContact CB-CG2 4.24Å; V207-T395 HydrophobicContact CG1-CG2 4.02Å; V207-T395 WeakPolarHBondContact O-CB 3.36Å; V207-T395 VanDerWaalsContact O-CG2 3.29Å; V207-T395 WeakPolarHBondContact O-CG2 3.42Å; V207-T395 PolarHBondContact O-OG1 3.35Å; I379-T395 HydrophobicContact CB-CG2 3.79Å; I379-T395 HydrophobicContact CD1-CG2 4.25Å; I379-T395 HydrophobicContact CG1-CG2 4.4Å; I379-T395 HydrophobicContact CG2-CG2 4.4Å; I379-T395 PolarHBondContact N-O 3.36Å; I379-T395 PolarHBondContact O-N 3.02Å
396L93.3Very high85.3Confident1 Ų137 Ų371%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-116.3146.1175.7-67.4165.8000108.9R130 V245 A250 I253 Q254 Y376 F377 H378 L435 L436R130-L396 PolarHBondContact NH2-O 3.39Å; V245-L396 HydrophobicContact CG2-CD2 4.27Å; A250-L396 HydrophobicContact CB-CD1 4.09Å; A250-L396 HydrophobicContact CB-CD2 4.14Å; I253-L396 HydrophobicContact CD1-CD2 4.35Å; Q254-L396 HydrophobicContact CB-CD1 4.49Å; Y376-L396 HydrophobicContact CD1-CB 4.39Å; F377-L396 CarbonylContact O-C 2.91Å; F377-L396 VanDerWaalsContact O-CA 3.28Å; F377-L396 WeakPolarHBondContact O-CA 3.46Å; H378-L396 HydrophobicContact CB-CD2 4.13Å; L396-L435 HydrophobicContact CB-CB 4.33Å; L396-L435 HydrophobicContact CB-CD1 4.48Å; L396-L435 HydrophobicContact CD1-CB 4.46Å; L396-L436 HydrophobicContact CD1-CD2 3.8Å
397S91.7Very high83.4Confident1 Ų142.3 Ų42.31%0.00719%0.193CC..  trans-72.8-179.617166.20000111.7Y376 F377Y376-S397 VanDerWaalsContact CD1-O 3.23Å; Y376-S397 WeakPolarHBondContact CD1-O 3.29Å; F377-S397 PolarHBondContact N-OG 3.36Å; F377-S397 PolarHBondContact O-N 3.43Å
398L91.3Very high81.8Confident1 Ų150 Ų501%0.00523%0.226CC..  trans-64.1154.3156.8-71-174.6000110.4Q133 V134 M137 E211 Y427Q133-L398 HydrophobicContact CB-CD1 3.95Å; Q133-L398 HydrophobicContact CB-CD2 4.49Å; Q133-L398 HydrophobicContact CB-CG 4.37Å; V134-L398 HydrophobicContact CG2-CD1 4.33Å; V134-L398 HydrophobicContact CG2-CD2 3.9Å; M137-L398 HydrophobicContact CB-CD1 4.45Å; M137-L398 HydrophobicContact CG-CD1 3.78Å; E211-L398 HydrophobicContact CG-CB 4.3Å; E211-L398 HydrophobicContact CG-CD1 3.85Å; E211-L398 HydrophobicContact CG-CG 3.98Å; L398-Y427 HydrophobicContact CB-CE1 4.23Å; L398-Y427 HydrophobicContact CD1-CE1 4.27Å
399P91.7Very high80.5Confident0 Ų052.8 Ų52.80%024%0.237CC..  trans-62.7142.1176.323.1-31.6000110.8I374 F375 Y376 L426 Y427 L437I374-P399 HydrophobicContact CG2-CB 3.68Å; F375-P399 CarbonylContact O-C 3.59Å; F375-P399 WeakPolarHBondContact O-CA 3.32Å; Y376-P399 HydrophobicContact CE1-CB 3.85Å; Y376-P399 HydrophobicContact CE1-CG 4.23Å; Y376-P399 HydrophobicContact CE2-CB 4.18Å; P399-L426 HydrophobicContact CB-CD1 4.24Å; P399-L426 HydrophobicContact CG-CD1 4.23Å; P399-Y427 HydrophobicContact CG-CE1 3.87Å; P399-Y427 PolarHBondContact O-OH 3.25Å; P399-L437 HydrophobicContact CG-CB 4.14Å; P399-L437 HydrophobicContact CG-CD1 3.74Å; P399-L437 HydrophobicContact CG-CG 4.09Å
400F90.5Very high79.2Confident0 Ų048.1 Ų48.10%023%0.231CC..BIsolated β-bridgetrans-138.3169173.867.9-89.9000110.1A216 L218 V244 F375 F377 I402A216-F400 HydrophobicContact CB-CB 4.41Å; A216-F400 CarbonylContact O-C 3.56Å; A216-F400 VanDerWaalsContact O-CA 3.27Å; A216-F400 WeakPolarHBondContact O-CA 3.46Å; A216-F400 WeakPolarHBondContact O-CB 3.22Å; L218-F400 HydrophobicContact CB-CD2 4.4Å; L218-F400 HydrophobicContact CD1-CD2 3.67Å; L218-F400 HydrophobicContact CD1-CE2 3.46Å; L218-F400 VanDerWaalsContact CD1-CE2 3.46Å; L218-F400 HydrophobicContact CD1-CG 4.45Å; L218-F400 HydrophobicContact CD1-CZ 4.08Å; L218-F400 HydrophobicContact CG-CD2 3.9Å; L218-F400 HydrophobicContact CG-CE2 4.17Å; V244-F400 HydrophobicContact CG1-CZ 3.94Å; V244-F400 HydrophobicContact CG2-CZ 4.28Å; F375-F400 HydrophobicContact CB-CD2 4.27Å; F375-F400 HydrophobicContact CB-CE1 4.17Å; F375-F400 HydrophobicContact CB-CE2 3.85Å; F375-F400 HydrophobicContact CB-CZ 3.81Å; F375-F400 PolarHBondContact N-O 2.89Å; F375-F400 VanDerWaalsContact O-CD1 3.3Å; F375-F400 WeakPolarHBondContact O-CD1 3.2Å; F375-F400 PolarHBondContact O-N 3.03Å; F377-F400 HydrophobicContact CD1-CE1 4.26Å; F377-F400 HydrophobicContact CD1-CZ 4.26Å; F377-F400 AromaticContact CD2-CD1 3.92Å; F377-F400 HydrophobicContact CD2-CD1 3.92Å; F377-F400 AromaticContact CD2-CE1 3.31Å; F377-F400 HydrophobicContact CD2-CE1 3.31Å; F377-F400 AromaticContact CD2-CZ 3.95Å; F377-F400 HydrophobicContact CD2-CZ 3.95Å; F377-F400 HydrophobicContact CE1-CE1 4.34Å; F377-F400 HydrophobicContact CE1-CZ 4.02Å; F377-F400 AromaticContact CE2-CD1 3.93Å; F377-F400 HydrophobicContact CE2-CD1 3.93Å; F377-F400 AromaticContact CE2-CE1 3.41Å; F377-F400 HydrophobicContact CE2-CE1 3.41Å; F377-F400 VanDerWaalsContact CE2-CE1 3.41Å; F377-F400 HydrophobicContact CE2-CE2 4.39Å; F377-F400 AromaticContact CE2-CZ 3.68Å; F377-F400 HydrophobicContact CE2-CZ 3.68Å; F377-F400 AromaticContact CG-CE1 3.78Å; F377-F400 HydrophobicContact CG-CE1 3.78Å; F377-F400 HydrophobicContact CG-CZ 4.24Å; F377-F400 AromaticContact CZ-CE1 3.95Å; F377-F400 HydrophobicContact CZ-CE1 3.95Å; F377-F400 HydrophobicContact CZ-CE2 4.36Å; F377-F400 AromaticContact CZ-CZ 3.73Å; F377-F400 HydrophobicContact CZ-CZ 3.73Å; F400-I402 HydrophobicContact CD2-CG1 4.07Å; F400-I402 HydrophobicContact CE2-CD1 3.88Å; F400-I402 HydrophobicContact CE2-CG1 3.57Å
401T88.5Confident77.6Confident0 Ų048.6 Ų48.60%024%0.235CC..EExtended strand (participates in β ladder)trans-118155.417367.10000111.1A216 I217 L218 P373 Y419 I423A216-T401 PolarHBondContact O-N 2.88Å; I217-T401 WeakPolarHBondContact CD1-OG1 3.46Å; L218-T401 PolarHBondContact N-O 3.46Å; P373-T401 HydrophobicContact CG-CG2 4.31Å; P373-T401 WeakPolarHBondContact O-CA 3.3Å; P373-T401 WeakPolarHBondContact O-CB 3.38Å; P373-T401 WeakPolarHBondContact O-CG2 3.5Å; T401-Y419 HydrophobicContact CG2-CG 4.49Å; T401-Y419 WeakPolarHBondContact OG1-CB 3.4Å; T401-I423 HydrophobicContact CG2-CD1 3.83Å; T401-I423 HydrophobicContact CG2-CG1 3.94Å
402I83.8Confident76.1Confident4 Ų449 Ų492%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-114.8113.2178.4-59.6168.1000109.4L218 T220 V244 A276 F375 F400 Y419L218-I402 CarbonylContact O-C 3.55Å; L218-I402 VanDerWaalsContact O-CA 3.3Å; L218-I402 WeakPolarHBondContact O-CA 3.25Å; T220-I402 HydrophobicContact CG2-CG2 3.51Å; V244-I402 HydrophobicContact CG1-CD1 3.98Å; A276-I402 HydrophobicContact CB-CD1 3.76Å; F375-I402 HydrophobicContact CD1-CD1 4.41Å; F375-I402 HydrophobicContact CD2-CB 4.28Å; F375-I402 HydrophobicContact CD2-CD1 3.88Å; F375-I402 HydrophobicContact CD2-CG1 3.84Å; F375-I402 HydrophobicContact CE2-CB 4.14Å; F375-I402 HydrophobicContact CE2-CD1 4.17Å; F375-I402 HydrophobicContact CE2-CG1 4.18Å; F375-I402 HydrophobicContact CG-CD1 4Å; F375-I402 HydrophobicContact CG-CG1 4.39Å; F400-I402 HydrophobicContact CD2-CG1 4.07Å; F400-I402 HydrophobicContact CE2-CD1 3.88Å; F400-I402 HydrophobicContact CE2-CG1 3.57Å; I402-Y419 VanDerWaalsContact O-CE2 3.25Å; I402-Y419 WeakPolarHBondContact O-CE2 3.22Å
403A79.8Confident74.7Confident0 Ų051.5 Ų51.50%025%0.246CC..EExtended strand (participates in β ladder)trans-97.7141175.300000111.8I217 L218 V219 T220 M415 M416 Y419I217-A403 HydrophobicContact CG2-CB 4.2Å; L218-A403 PolarHBondContact O-N 3.25Å; V219-A403 CarbonylContact C-O 3.52Å; V219-A403 WeakPolarHBondContact CA-O 2.99Å; V219-A403 HydrophobicContact CG2-CB 4.47Å; T220-A403 VanDerWaalsContact CG2-O 3.31Å; T220-A403 WeakPolarHBondContact CG2-O 3.29Å; T220-A403 PolarHBondContact N-O 3.41Å; A403-M415 HydrophobicContact CB-CE 4.41Å; A403-M416 HydrophobicContact CB-CE 4.41Å; A403-M416 HydrophobicContact CB-SD 3.16Å; A403-M416 WeakPolarHBondContact CB-SD 3.1Å; A403-Y419 HydrophobicContact CB-CD2 4.15Å; A403-Y419 HydrophobicContact CB-CE2 4.49Å
404T74.9Confident73.2Confident47 Ų4758.3 Ų58.329%0.28827%0.272SS..  trans-84.1136.6173.960.70000111.3T220 T338 R406T220-T404 HydrophobicContact CG2-CG2 4.34Å; T220-T404 WeakPolarHBondContact OG1-CA 3.36Å; T338-T404 HydrophobicContact CG2-CG2 4.03Å; T404-R406 PolarHBondContact O-N 3.29Å; T404-R406 VanDerWaalsContact O-N 3.09Å
405R62.3Low72Confident149 Ų14959.7 Ų59.756%0.56228%0.279SS*.  trans-76.792.6174.2-167.7178.7178.7-168.3-0.4110.6V219 T220V219-R405 HydrophobicContact CG1-CB 3.84Å; V219-R405 HydrophobicContact CG1-CG 4.3Å; T220-R405 PolarHBondContact OG1-N 3.19Å
406R56Low71Confident184 Ų18462.3 Ų62.369%0.69429%0.291SS*.  trans-137.485.3161.2-82.2-167.6-171.8-161.23.2109.8T404 Q408 V412T404-R406 PolarHBondContact O-N 3.29Å; T404-R406 VanDerWaalsContact O-N 3.09Å; R406-Q408 PolarHBondContact O-N 2.89Å; R406-V412 HydrophobicContact CB-CG2 3.86Å; R406-V412 VanDerWaalsContact O-CB 3.3Å; R406-V412 WeakPolarHBondContact O-CB 3.42Å; R406-V412 WeakPolarHBondContact O-CG1 3.4Å; R406-V412 WeakPolarHBondContact O-CG2 3.36Å
407N48.6Very low70.3Confident116 Ų11662.6 Ų62.662%0.6229%0.293SS*.THydrogen-bonded Turntrans-74.16.7-162.5-66.80.1000116.4
408Q49.9Very low69.8Low194 Ų19462.9 Ų62.991%0.90730%0.295SS*.THydrogen-bonded Turntrans-117.5-2-178.4-69.7-177.2-400114.3R406R406-Q408 PolarHBondContact O-N 2.89Å
409D52.9Low69.6Low73 Ų7363.4 Ų63.439%0.3930%0.297SS..  trans-97.2126.8-177-162.3-26.5000111.1Q411 V412 Q413D409-Q411 PolarHBondContact O-N 3.46Å; D409-Q411 VanDerWaalsContact O-N 3.11Å; D409-Q411 VanDerWaalsContact OD1-CB 3.28Å; D409-Q411 WeakPolarHBondContact OD1-CB 3.36Å; D409-Q411 PolarHBondContact OD1-N 3.47Å; D409-V412 HydrophobicContact CB-CB 4.32Å; D409-V412 HydrophobicContact CB-CG2 3.94Å; D409-V412 WeakPolarHBondContact O-CB 3.46Å; D409-V412 PolarHBondContact O-N 2.9Å; D409-Q413 PolarHBondContact O-N 2.96Å
410C56.4Low69.4Low87 Ų8764.7 Ų64.759%0.58831%0.305SS*.Hα-helixtrans-54.4-25.8170.6-64.70000112R414C410-R414 WeakPolarHBondContact O-CG 3.33Å; C410-R414 PolarHBondContact O-N 3.37Å; C410-R414 PolarHBondContact O-NE 2.98Å
411Q56.1Low69.3Low119 Ų11964.8 Ų64.856%0.55631%0.306SS*.Hα-helixtrans-68.3-39.1172.8-166.1177.222.800112.4D409 R414 M415D409-Q411 PolarHBondContact O-N 3.46Å; D409-Q411 VanDerWaalsContact O-N 3.11Å; D409-Q411 VanDerWaalsContact OD1-CB 3.28Å; D409-Q411 WeakPolarHBondContact OD1-CB 3.36Å; D409-Q411 PolarHBondContact OD1-N 3.47Å; Q411-R414 PolarHBondContact O-N 3.13Å; Q411-M415 WeakPolarHBondContact O-CB 3.26Å; Q411-M415 PolarHBondContact O-N 3.26Å
412V59.9Low69.3Low18 Ų1864.8 Ų64.811%0.10931%0.306CS..Hα-helixtrans-71.4-37179.6173.40000110.9R406 D409 M415 M416R406-V412 HydrophobicContact CB-CG2 3.86Å; R406-V412 VanDerWaalsContact O-CB 3.3Å; R406-V412 WeakPolarHBondContact O-CB 3.42Å; R406-V412 WeakPolarHBondContact O-CG1 3.4Å; R406-V412 WeakPolarHBondContact O-CG2 3.36Å; D409-V412 HydrophobicContact CB-CB 4.32Å; D409-V412 HydrophobicContact CB-CG2 3.94Å; D409-V412 WeakPolarHBondContact O-CB 3.46Å; D409-V412 PolarHBondContact O-N 2.9Å; V412-M415 HydrophobicContact CG1-CE 4.31Å; V412-M415 WeakPolarHBondContact O-CB 3.47Å; V412-M415 PolarHBondContact O-N 3.22Å; V412-M416 WeakPolarHBondContact O-CG 3.23Å; V412-M416 PolarHBondContact O-N 3.46Å
413Q61.4Low69.6Low84 Ų8465.3 Ų65.339%0.39331%0.309SS..Hα-helixtrans-65.4-40.9173.7-65.4-169.1900112.4D409 M415 M416 S417D409-Q413 PolarHBondContact O-N 2.96Å; Q413-M415 VanDerWaalsContact C-N 3.35Å; Q413-M416 PolarHBondContact O-N 2.77Å; Q413-S417 PolarHBondContact O-N 3.42Å
414R62.6Low70.1Confident144 Ų14466.2 Ų66.254%0.54331%0.313SS..Hα-helixtrans-63.1-40.5172.4-79.8-177.3-78154.4-8.8112.1C410 Q411 S417 S418C410-R414 WeakPolarHBondContact O-CG 3.33Å; C410-R414 PolarHBondContact O-N 3.37Å; C410-R414 PolarHBondContact O-NE 2.98Å; Q411-R414 PolarHBondContact O-N 3.13Å; R414-S417 WeakPolarHBondContact O-CB 2.95Å; R414-S417 PolarHBondContact O-N 3.11Å; R414-S418 PolarHBondContact O-N 2.93Å
415M67.4Low70.9Confident30 Ų3064 Ų6415%0.14830%0.299CS..Hα-helixtrans-63-46.4176.2-173.6-177.467.200111.7A403 Q411 V412 Q413 S417 S418 Y419A403-M415 HydrophobicContact CB-CE 4.41Å; Q411-M415 WeakPolarHBondContact O-CB 3.26Å; Q411-M415 PolarHBondContact O-N 3.26Å; V412-M415 HydrophobicContact CG1-CE 4.31Å; V412-M415 WeakPolarHBondContact O-CB 3.47Å; V412-M415 PolarHBondContact O-N 3.22Å; Q413-M415 VanDerWaalsContact C-N 3.35Å; M415-S417 VanDerWaalsContact C-N 3.29Å; M415-S417 PolarHBondContact O-N 3.46Å; M415-S418 PolarHBondContact O-N 2.82Å; M415-Y419 HydrophobicContact CE-CE2 4.29Å; M415-Y419 HydrophobicContact CG-CD1 4.23Å; M415-Y419 HydrophobicContact CG-CD2 4.08Å; M415-Y419 HydrophobicContact CG-CE1 3.64Å; M415-Y419 HydrophobicContact CG-CE2 3.49Å; M415-Y419 VanDerWaalsContact CG-CE2 3.49Å; M415-Y419 HydrophobicContact CG-CG 4.42Å; M415-Y419 WeakPolarHBondContact CG-OH 3.44Å; M415-Y419 WeakPolarHBondContact O-CB 3.42Å; M415-Y419 VanDerWaalsContact O-CD1 3.27Å; M415-Y419 WeakPolarHBondContact O-CD1 3.35Å; M415-Y419 VanDerWaalsContact O-CG 3.26Å; M415-Y419 PolarHBondContact O-N 2.79Å; M415-Y419 HydrophobicContact SD-CE2 3.8Å; M415-Y419 PolarHBondContact SD-OH 3.05Å; M415-Y419 VanDerWaalsContact SD-OH 3.37Å
416M72Confident72.3Confident57 Ų5757 Ų5728%0.28127%0.273SS..Hα-helixtrans-59.2-39.5175.2-74.4-62.1-66.700112.4I217 A403 V412 Q413 Y419 T420I217-M416 HydrophobicContact CG2-CE 3.89Å; I217-M416 HydrophobicContact CG2-SD 4.32Å; A403-M416 HydrophobicContact CB-CE 4.41Å; A403-M416 HydrophobicContact CB-SD 3.16Å; A403-M416 WeakPolarHBondContact CB-SD 3.1Å; V412-M416 WeakPolarHBondContact O-CG 3.23Å; V412-M416 PolarHBondContact O-N 3.46Å; Q413-M416 PolarHBondContact O-N 2.77Å; M416-Y419 PolarHBondContact O-N 2.88Å; M416-T420 WeakPolarHBondContact O-CB 3.36Å; M416-T420 WeakPolarHBondContact O-CG2 3.41Å; M416-T420 PolarHBondContact O-N 3.12Å; M416-T420 PolarHBondContact O-OG1 2.87Å
417S77.8Confident74Confident6 Ų648.6 Ų48.64%0.04224%0.241CC..Hα-helixtrans-61.4-46.7175.6-175.30000112.1Q413 R414 M415 T420 A421 W524Q413-S417 PolarHBondContact O-N 3.42Å; R414-S417 WeakPolarHBondContact O-CB 2.95Å; R414-S417 PolarHBondContact O-N 3.11Å; M415-S417 VanDerWaalsContact C-N 3.29Å; M415-S417 PolarHBondContact O-N 3.46Å; S417-T420 PolarHBondContact O-OG1 2.84Å; S417-A421 WeakPolarHBondContact O-CB 3.49Å; S417-A421 PolarHBondContact O-N 2.94Å; S417-A421 VanDerWaalsContact O-N 3.08Å; S417-W524 PolarHBondContact O-NE1 2.75Å
418S82.6Confident75.9Confident8 Ų843.1 Ų43.16%0.05621%0.212CC..Hα-helixtrans-64-41.1176.9166.70000112.4L353 R414 M415 A421 T422L353-S418 WeakPolarHBondContact CD1-OG 3.31Å; R414-S418 PolarHBondContact O-N 2.93Å; M415-S418 PolarHBondContact O-N 2.82Å; S418-A421 PolarHBondContact O-N 3.4Å; S418-T422 WeakPolarHBondContact O-CB 3.42Å; S418-T422 PolarHBondContact O-N 3.4Å; S418-T422 PolarHBondContact O-OG1 3.27Å
419Y86.9Confident77.8Confident11 Ų1135 Ų354%0.04318%0.177CC..Hα-helixtrans-71-42.5-175.4-718.5000111.8R343 P373 T401 I402 A403 M415 M416 T422 I423R343-Y419 PolarHBondContact NH1-OH 3.04Å; P373-Y419 HydrophobicContact CB-CD1 3.94Å; P373-Y419 HydrophobicContact CB-CE1 3.52Å; P373-Y419 HydrophobicContact CB-CE2 4.42Å; P373-Y419 HydrophobicContact CG-CD1 3.48Å; P373-Y419 VanDerWaalsContact CG-CD1 3.48Å; P373-Y419 HydrophobicContact CG-CE1 3.46Å; P373-Y419 VanDerWaalsContact CG-CE1 3.46Å; P373-Y419 HydrophobicContact CG-CG 4.31Å; T401-Y419 HydrophobicContact CG2-CG 4.49Å; T401-Y419 WeakPolarHBondContact OG1-CB 3.4Å; I402-Y419 VanDerWaalsContact O-CE2 3.25Å; I402-Y419 WeakPolarHBondContact O-CE2 3.22Å; A403-Y419 HydrophobicContact CB-CD2 4.15Å; A403-Y419 HydrophobicContact CB-CE2 4.49Å; M415-Y419 HydrophobicContact CE-CE2 4.29Å; M415-Y419 HydrophobicContact CG-CD1 4.23Å; M415-Y419 HydrophobicContact CG-CD2 4.08Å; M415-Y419 HydrophobicContact CG-CE1 3.64Å; M415-Y419 HydrophobicContact CG-CE2 3.49Å; M415-Y419 VanDerWaalsContact CG-CE2 3.49Å; M415-Y419 HydrophobicContact CG-CG 4.42Å; M415-Y419 WeakPolarHBondContact CG-OH 3.44Å; M415-Y419 WeakPolarHBondContact O-CB 3.42Å; M415-Y419 VanDerWaalsContact O-CD1 3.27Å; M415-Y419 WeakPolarHBondContact O-CD1 3.35Å; M415-Y419 VanDerWaalsContact O-CG 3.26Å; M415-Y419 PolarHBondContact O-N 2.79Å; M415-Y419 HydrophobicContact SD-CE2 3.8Å; M415-Y419 PolarHBondContact SD-OH 3.05Å; M415-Y419 VanDerWaalsContact SD-OH 3.37Å; M416-Y419 PolarHBondContact O-N 2.88Å; Y419-T422 WeakPolarHBondContact O-CB 3.44Å; Y419-T422 PolarHBondContact O-N 3.06Å; Y419-I423 PolarHBondContact O-N 3.1Å
420T86.8Confident79.6Confident28 Ų2833.1 Ų33.117%0.17217%0.167CC..Hα-helixtrans-63.7-41.5173.148.80000112I217 M416 S417 T422 I423 F424 W524I217-T420 HydrophobicContact CD1-CG2 4.1Å; I217-T420 HydrophobicContact CG1-CG2 3.91Å; M416-T420 WeakPolarHBondContact O-CB 3.36Å; M416-T420 WeakPolarHBondContact O-CG2 3.41Å; M416-T420 PolarHBondContact O-N 3.12Å; M416-T420 PolarHBondContact O-OG1 2.87Å; S417-T420 PolarHBondContact O-OG1 2.84Å; T420-T422 VanDerWaalsContact C-N 3.32Å; T420-T422 PolarHBondContact O-N 3.49Å; T420-I423 PolarHBondContact O-N 3.15Å; T420-F424 WeakPolarHBondContact O-CB 3.35Å; T420-F424 PolarHBondContact O-N 3.37Å; T420-W524 PolarHBondContact OG1-NE1 2.98Å
421A88.5Confident81.2Confident1 Ų131.7 Ų31.71%0.00816%0.155CC..Hα-helixtrans-63.1-38.8174.600000112.1S417 S418 F424 W425 F502 L506 W524S417-A421 WeakPolarHBondContact O-CB 3.49Å; S417-A421 PolarHBondContact O-N 2.94Å; S417-A421 VanDerWaalsContact O-N 3.08Å; S418-A421 PolarHBondContact O-N 3.4Å; A421-F424 PolarHBondContact O-N 3.12Å; A421-W425 WeakPolarHBondContact O-CB 3.35Å; A421-W425 PolarHBondContact O-N 3.02Å; A421-F502 HydrophobicContact CB-CE2 3.9Å; A421-F502 HydrophobicContact CB-CZ 4.32Å; A421-L506 HydrophobicContact CB-CD1 4.29Å; A421-L506 HydrophobicContact CB-CD2 3.67Å; A421-L506 HydrophobicContact CB-CG 4.1Å; A421-W524 HydrophobicContact CB-CD2 4Å; A421-W524 HydrophobicContact CB-CG 3.86Å
422T89.4Confident82.8Confident1 Ų127.8 Ų27.81%0.00614%0.137CC..Hα-helixtrans-60.1-47.1178.9-58.10000110.7I374 S418 Y419 T420 W425 L426 W439I374-T422 HydrophobicContact CD1-CG2 4.24Å; I374-T422 HydrophobicContact CG1-CG2 3.98Å; S418-T422 WeakPolarHBondContact O-CB 3.42Å; S418-T422 PolarHBondContact O-N 3.4Å; S418-T422 PolarHBondContact O-OG1 3.27Å; Y419-T422 WeakPolarHBondContact O-CB 3.44Å; Y419-T422 PolarHBondContact O-N 3.06Å; T420-T422 VanDerWaalsContact C-N 3.32Å; T420-T422 PolarHBondContact O-N 3.49Å; T422-W425 PolarHBondContact O-N 3.17Å; T422-L426 HydrophobicContact CG2-CD1 4.14Å; T422-L426 WeakPolarHBondContact O-CG 3.41Å; T422-L426 PolarHBondContact O-N 3.39Å; T422-W439 HydrophobicContact CG2-CZ3 3.86Å
423I89.7Confident84.2Confident15 Ų1530.7 Ų30.78%0.07715%0.152CC..Hα-helixtrans-65.8-45.2176.3-66.2-51000111.6A216 I217 T401 Y419 T420 W425 L426 Y427A216-I423 HydrophobicContact CB-CB 4.45Å; A216-I423 HydrophobicContact CB-CD1 4.17Å; A216-I423 HydrophobicContact CB-CG1 4.03Å; A216-I423 HydrophobicContact CB-CG2 3.57Å; I217-I423 HydrophobicContact CD1-CB 4.34Å; I217-I423 HydrophobicContact CD1-CG1 3.62Å; T401-I423 HydrophobicContact CG2-CD1 3.83Å; T401-I423 HydrophobicContact CG2-CG1 3.94Å; Y419-I423 PolarHBondContact O-N 3.1Å; T420-I423 PolarHBondContact O-N 3.15Å; I423-W425 PolarHBondContact O-N 3.42Å; I423-L426 HydrophobicContact CD1-CD1 4.49Å; I423-L426 PolarHBondContact O-N 3.34Å; I423-Y427 HydrophobicContact CG2-CD2 3.51Å; I423-Y427 HydrophobicContact CG2-CE2 3.35Å; I423-Y427 HydrophobicContact CG2-CG 4.29Å; I423-Y427 PolarHBondContact O-N 3.27Å
424F90.4Very high85.5Confident18 Ų1827.9 Ų27.98%0.07915%0.146CC..Hα-helixtrans-54.9-43.5175.7169.1-94.4000111.2T420 A421 G428 M444 F449 L452 H456 W524T420-F424 WeakPolarHBondContact O-CB 3.35Å; T420-F424 PolarHBondContact O-N 3.37Å; A421-F424 PolarHBondContact O-N 3.12Å; F424-G428 WeakPolarHBondContact O-CA 3.12Å; F424-G428 PolarHBondContact O-N 3.39Å; F424-M444 HydrophobicContact CE1-CE 4.48Å; F424-F449 HydrophobicContact CE1-CD2 4.19Å; F424-F449 HydrophobicContact CE1-CE2 4Å; F424-F449 HydrophobicContact CZ-CD2 4.39Å; F424-F449 HydrophobicContact CZ-CE2 4.31Å; F424-L452 HydrophobicContact CE2-CB 3.81Å; F424-L452 HydrophobicContact CZ-CB 3.69Å; F424-H456 HydrophobicContact CD2-CB 4.17Å; F424-H456 HydrophobicContact CE2-CB 3.93Å; F424-W524 HydrophobicContact CB-CH2 3.42Å; F424-W524 VanDerWaalsContact CB-CH2 3.42Å; F424-W524 HydrophobicContact CB-CZ2 3.82Å; F424-W524 HydrophobicContact CB-CZ3 4.11Å; F424-W524 HydrophobicContact CD1-CE3 4.41Å; F424-W524 AromaticContact CD1-CH2 3.9Å; F424-W524 HydrophobicContact CD1-CH2 3.9Å; F424-W524 AromaticContact CD1-CZ3 3.66Å; F424-W524 HydrophobicContact CD1-CZ3 3.66Å; F424-W524 AromaticContact CD2-CH2 3.48Å; F424-W524 HydrophobicContact CD2-CH2 3.48Å; F424-W524 VanDerWaalsContact CD2-CH2 3.48Å; F424-W524 AromaticContact CD2-CZ3 3.76Å; F424-W524 HydrophobicContact CD2-CZ3 3.76Å; F424-W524 AromaticContact CE1-CZ3 3.97Å; F424-W524 HydrophobicContact CE1-CZ3 3.97Å; F424-W524 HydrophobicContact CE2-CH2 4.19Å; F424-W524 HydrophobicContact CE2-CZ3 4.05Å; F424-W524 AromaticContact CG-CH2 3.3Å; F424-W524 HydrophobicContact CG-CH2 3.3Å; F424-W524 HydrophobicContact CG-CZ2 4.19Å; F424-W524 AromaticContact CG-CZ3 3.55Å; F424-W524 HydrophobicContact CG-CZ3 3.55Å; F424-W524 HydrophobicContact CZ-CZ3 4.15Å
425W91.2Very high86.8Confident2 Ų221.8 Ų21.81%0.00812%0.124CC..Hα-helixtrans-65.9-49.2178.3-161.6-98.4000112.2A421 T422 I423 G428 C429 W439 I440 M444 V500 F502 V505A421-W425 WeakPolarHBondContact O-CB 3.35Å; A421-W425 PolarHBondContact O-N 3.02Å; T422-W425 PolarHBondContact O-N 3.17Å; I423-W425 PolarHBondContact O-N 3.42Å; W425-G428 PolarHBondContact O-N 3.09Å; W425-C429 WeakPolarHBondContact O-CB 3.39Å; W425-C429 PolarHBondContact O-N 3Å; W425-C429 PolarHBondContact O-SG 2.91Å; W425-C429 VanDerWaalsContact O-SG 3.38Å; W425-W439 HydrophobicContact CB-CH2 4.2Å; W425-W439 HydrophobicContact CB-CZ3 4.22Å; W425-W439 AromaticContact CD1-CH2 3.66Å; W425-W439 AromaticContact CD1-CZ2 3.79Å; W425-W439 AromaticContact CD1-CZ3 3.82Å; W425-W439 HydrophobicContact CG-CH2 4.05Å; W425-W439 HydrophobicContact CG-CZ2 4.45Å; W425-W439 HydrophobicContact CG-CZ3 4.31Å; W425-I440 PolarHBondContact NE1-O 3.09Å; W425-M444 HydrophobicContact CD2-CE 4.45Å; W425-M444 HydrophobicContact CE3-CE 3.72Å; W425-M444 HydrophobicContact CH2-CB 3.84Å; W425-M444 HydrophobicContact CH2-CE 3.78Å; W425-M444 HydrophobicContact CZ2-CB 4.17Å; W425-M444 HydrophobicContact CZ3-CB 4.48Å; W425-M444 HydrophobicContact CZ3-CE 3.35Å; W425-V500 WeakPolarHBondContact CH2-O 3.2Å; W425-F502 HydrophobicContact CB-CD2 3.91Å; W425-F502 HydrophobicContact CB-CE2 4.13Å; W425-F502 HydrophobicContact CD2-CB 4.08Å; W425-F502 AromaticContact CD2-CD2 3.82Å; W425-F502 HydrophobicContact CD2-CD2 3.82Å; W425-F502 HydrophobicContact CD2-CG 4.42Å; W425-F502 HydrophobicContact CE3-CB 4.36Å; W425-F502 AromaticContact CE3-CD2 3.99Å; W425-F502 HydrophobicContact CE3-CD2 3.99Å; W425-F502 AromaticContact CG-CD2 3.78Å; W425-F502 HydrophobicContact CG-CD2 3.78Å; W425-F502 HydrophobicContact CG-CE2 4.46Å; W425-F502 HydrophobicContact CH2-CB 4.48Å; W425-F502 HydrophobicContact CZ2-CB 4.19Å; W425-V505 HydrophobicContact CZ3-CG2 3.98Å
426L91.3Very high87.9Confident1 Ų120.7 Ų20.71%0.00512%0.118CC..Hα-helixtrans-60.3-51.1-179.5-79.4166.8000112.5I374 P399 T422 I423 G428 N430 L437 W439I374-L426 HydrophobicContact CD1-CD1 3.72Å; I374-L426 HydrophobicContact CD1-CD2 4.49Å; I374-L426 HydrophobicContact CG1-CD1 3.95Å; I374-L426 HydrophobicContact CG2-CD1 4.5Å; P399-L426 HydrophobicContact CB-CD1 4.24Å; P399-L426 HydrophobicContact CG-CD1 4.23Å; T422-L426 HydrophobicContact CG2-CD1 4.14Å; T422-L426 WeakPolarHBondContact O-CG 3.41Å; T422-L426 PolarHBondContact O-N 3.39Å; I423-L426 HydrophobicContact CD1-CD1 4.49Å; I423-L426 PolarHBondContact O-N 3.34Å; L426-G428 VanDerWaalsContact C-N 3.32Å; L426-N430 PolarHBondContact O-N 3.01Å; L426-L437 HydrophobicContact CD2-CB 4.34Å; L426-W439 HydrophobicContact CD2-CE3 3.85Å; L426-W439 HydrophobicContact CG-CE3 3.98Å; L426-W439 HydrophobicContact CG-CZ3 4.18Å
427Y91.5Very high88.9Confident7 Ų718.2 Ų18.23%0.02711%0.106CC..Hα-helixtrans-71.6-29.4179.4-63.9-16.3000112.3V134 M137 A216 L398 P399 I423 L437V134-Y427 HydrophobicContact CG1-CD1 4.45Å; V134-Y427 HydrophobicContact CG1-CG 4.47Å; V134-Y427 WeakPolarHBondContact CG1-O 3.48Å; M137-Y427 HydrophobicContact CB-CD2 3.8Å; M137-Y427 HydrophobicContact CB-CE2 3.55Å; M137-Y427 HydrophobicContact CE-CE2 4.17Å; M137-Y427 HydrophobicContact CG-CE2 4.17Å; A216-Y427 HydrophobicContact CB-CE2 3.71Å; A216-Y427 VanDerWaalsContact CB-OH 3.22Å; A216-Y427 WeakPolarHBondContact CB-OH 3.37Å; L398-Y427 HydrophobicContact CB-CE1 4.23Å; L398-Y427 HydrophobicContact CD1-CE1 4.27Å; P399-Y427 HydrophobicContact CG-CE1 3.87Å; P399-Y427 PolarHBondContact O-OH 3.25Å; I423-Y427 HydrophobicContact CG2-CD2 3.51Å; I423-Y427 HydrophobicContact CG2-CE2 3.35Å; I423-Y427 HydrophobicContact CG2-CG 4.29Å; I423-Y427 PolarHBondContact O-N 3.27Å; Y427-L437 HydrophobicContact CD1-CD1 3.56Å; Y427-L437 HydrophobicContact CE1-CD1 3.83Å
428G89.5Confident89.4Confident2 Ų220.9 Ų20.92%0.02112%0.118CC..Hα-helixtrans-67.6-46175.600000113.2F424 W425 L426 H448F424-G428 WeakPolarHBondContact O-CA 3.12Å; F424-G428 PolarHBondContact O-N 3.39Å; W425-G428 PolarHBondContact O-N 3.09Å; L426-G428 VanDerWaalsContact C-N 3.32Å; G428-H448 PolarHBondContact O-NE2 2.99Å
429C89.4Confident89.6Confident24 Ų2421.9 Ų21.916%0.16212%0.121CC..Hα-helixtrans-72.1-38.7178-71.40000112.3W425 T431 I440W425-C429 WeakPolarHBondContact O-CB 3.39Å; W425-C429 PolarHBondContact O-N 3Å; W425-C429 PolarHBondContact O-SG 2.91Å; W425-C429 VanDerWaalsContact O-SG 3.38Å; C429-T431 PolarHBondContact O-N 2.62Å; C429-I440 HydrophobicContact CB-CD1 3.69Å; C429-I440 HydrophobicContact CB-CG1 4.12Å
430N90.6Very high89.5Confident33 Ų3323.9 Ų23.918%0.17613%0.132CC..  trans51.438.6176.3-168.722.2000114.1L131 V134 L426 Q432L131-N430 WeakPolarHBondContact CD2-ND2 3.48Å; V134-N430 HydrophobicContact CG1-CB 4.12Å; L426-N430 PolarHBondContact O-N 3.01Å; N430-Q432 PolarHBondContact O-N 2.87Å; N430-Q432 PolarHBondContact OD1-NE2 2.82Å
431T90.6Very high89.1Confident56 Ų5627.4 Ų27.434%0.34415%0.149SC..  trans-79.4105172.3-57.50000109C429 L437 Q438 I440C429-T431 PolarHBondContact O-N 2.62Å; T431-L437 CarbonylContact O-C 3.57Å; T431-L437 WeakPolarHBondContact O-CA 3.4Å; T431-Q438 HydrophobicContact CG2-CB 3.89Å; T431-Q438 PolarHBondContact O-N 3.36Å; T431-I440 WeakPolarHBondContact OG1-CD1 3.2Å; T431-I440 WeakPolarHBondContact OG1-CG1 3.44Å
432Q90.1Very high88.4Confident38 Ų3830.2 Ų30.218%0.17818%0.178CC..EExtended strand (participates in β ladder)trans-90.4135.1-177.7-59.4-175.59.600111.2Q127 L131 N430 L437Q127-Q432 PolarHBondContact O-OE1 2.98Å; L131-Q432 VanDerWaalsContact CD2-NE2 3.26Å; N430-Q432 PolarHBondContact O-N 2.87Å; N430-Q432 PolarHBondContact OD1-NE2 2.82Å; Q432-L437 HydrophobicContact CG-CD2 3.81Å
433D89.4Confident88Confident78 Ų7830.8 Ų30.842%0.41719%0.185SC..EExtended strand (participates in β ladder)trans-129.296.6165.6176.518.5000108.1Q254 L435 L436 Q438Q254-D433 PolarHBondContact NE2-O 3.45Å; Q254-D433 PolarHBondContact OE1-O 2.93Å; D433-L435 PolarHBondContact O-N 3.45Å; D433-L435 VanDerWaalsContact O-N 3.13Å; D433-L436 PolarHBondContact N-O 3.21Å; D433-L436 PolarHBondContact O-N 2.9Å; D433-Q438 HydrophobicContact CB-CG 3.48Å; D433-Q438 VanDerWaalsContact CB-CG 3.48Å; D433-Q438 PolarHBondContact OD2-NE2 3.34Å
434G88Confident88Confident26 Ų2630.5 Ų30.527%0.26818%0.183SC..THydrogen-bonded Turntrans60.4-114-172.500000112.2
435L89.3Confident87.9Confident16 Ų1635.3 Ų35.38%0.08421%0.206CC..THydrogen-bonded Turntrans-93.1-9.9177.8-56.1179.1000112.9W126 M257 L396 D433W126-L435 HydrophobicContact CD2-CD2 4.3Å; W126-L435 HydrophobicContact CE3-CD2 4.19Å; M257-L435 HydrophobicContact CE-CD1 4Å; M257-L435 HydrophobicContact SD-CD1 4.37Å; L396-L435 HydrophobicContact CB-CB 4.33Å; L396-L435 HydrophobicContact CB-CD1 4.48Å; L396-L435 HydrophobicContact CD1-CB 4.46Å; D433-L435 PolarHBondContact O-N 3.45Å; D433-L435 VanDerWaalsContact O-N 3.13Å
436L92Very high87.7Confident6 Ų635.5 Ų35.53%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-96.2152.5-177.2-59.1177.4000111.4A250 E251 Q254 Y376 L396 D433A250-L436 HydrophobicContact CB-CD2 3.75Å; E251-L436 HydrophobicContact CB-CD1 4.22Å; E251-L436 HydrophobicContact CG-CD1 3.64Å; Q254-L436 HydrophobicContact CB-CD1 4.26Å; Y376-L436 HydrophobicContact CD1-CD2 4.11Å; Y376-L436 HydrophobicContact CD2-CD2 4.43Å; Y376-L436 HydrophobicContact CE1-CD2 3.64Å; Y376-L436 HydrophobicContact CE2-CD2 4Å; Y376-L436 HydrophobicContact CG-CD2 4.49Å; L396-L436 HydrophobicContact CD1-CD2 3.8Å; D433-L436 PolarHBondContact N-O 3.21Å; D433-L436 PolarHBondContact O-N 2.9Å
437L91.2Very high87.7Confident5 Ų540.2 Ų40.23%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-100.6121.3166-60.7-174.9000108.8V134 Y376 P399 L426 Y427 T431 Q432V134-L437 HydrophobicContact CG2-CD1 3.99Å; V134-L437 HydrophobicContact CG2-CD2 4.15Å; Y376-L437 PolarHBondContact OH-N 2.59Å; P399-L437 HydrophobicContact CG-CB 4.14Å; P399-L437 HydrophobicContact CG-CD1 3.74Å; P399-L437 HydrophobicContact CG-CG 4.09Å; L426-L437 HydrophobicContact CD2-CB 4.34Å; Y427-L437 HydrophobicContact CD1-CD1 3.56Å; Y427-L437 HydrophobicContact CE1-CD1 3.83Å; T431-L437 CarbonylContact O-C 3.57Å; T431-L437 WeakPolarHBondContact O-CA 3.4Å; Q432-L437 HydrophobicContact CG-CD2 3.81Å
438Q88.8Confident87.6Confident62 Ų6243.3 Ų43.329%0.2925%0.246SC..PPolyproline II helixtrans-80.1138.1178.5-70.2-68.3-9.300110.4T431 D433T431-Q438 HydrophobicContact CG2-CB 3.89Å; T431-Q438 PolarHBondContact O-N 3.36Å; D433-Q438 HydrophobicContact CB-CG 3.48Å; D433-Q438 VanDerWaalsContact CB-CG 3.48Å; D433-Q438 PolarHBondContact OD2-NE2 3.34Å
439W87.9Confident87.7Confident29 Ų2943.2 Ų43.211%0.1125%0.245CC..PPolyproline II helixtrans-78.4136.5174.5-177.7-83.9000111.7R372 T422 W425 L426 D441 F502R372-W439 VanDerWaalsContact CZ-CE2 3.45Å; T422-W439 HydrophobicContact CG2-CZ3 3.86Å; W425-W439 HydrophobicContact CB-CH2 4.2Å; W425-W439 HydrophobicContact CB-CZ3 4.22Å; W425-W439 AromaticContact CD1-CH2 3.66Å; W425-W439 AromaticContact CD1-CZ2 3.79Å; W425-W439 AromaticContact CD1-CZ3 3.82Å; W425-W439 HydrophobicContact CG-CH2 4.05Å; W425-W439 HydrophobicContact CG-CZ2 4.45Å; W425-W439 HydrophobicContact CG-CZ3 4.31Å; L426-W439 HydrophobicContact CD2-CE3 3.85Å; L426-W439 HydrophobicContact CG-CE3 3.98Å; L426-W439 HydrophobicContact CG-CZ3 4.18Å; W439-D441 PolarHBondContact NE1-OD1 3.25Å; W439-F502 HydrophobicContact CH2-CB 4.44Å; W439-F502 AromaticContact CH2-CD1 3.81Å; W439-F502 HydrophobicContact CH2-CD1 3.81Å; W439-F502 AromaticContact CH2-CD2 3.65Å; W439-F502 HydrophobicContact CH2-CD2 3.65Å; W439-F502 AromaticContact CH2-CE1 3.84Å; W439-F502 HydrophobicContact CH2-CE1 3.84Å; W439-F502 AromaticContact CH2-CE2 3.69Å; W439-F502 HydrophobicContact CH2-CE2 3.69Å; W439-F502 AromaticContact CH2-CG 3.7Å; W439-F502 HydrophobicContact CH2-CG 3.7Å; W439-F502 AromaticContact CH2-CZ 3.77Å; W439-F502 HydrophobicContact CH2-CZ 3.77Å; W439-F502 HydrophobicContact CZ2-CB 3.95Å; W439-F502 AromaticContact CZ2-CD1 3.67Å; W439-F502 HydrophobicContact CZ2-CD1 3.67Å; W439-F502 HydrophobicContact CZ2-CD2 4.02Å; W439-F502 HydrophobicContact CZ2-CE1 4.11Å; W439-F502 HydrophobicContact CZ2-CE2 4.44Å; W439-F502 AromaticContact CZ2-CG 3.6Å; W439-F502 HydrophobicContact CZ2-CG 3.6Å; W439-F502 HydrophobicContact CZ2-CZ 4.47Å
440I83.3Confident87.7Confident54 Ų5443.4 Ų43.428%0.27724%0.243SC..  trans-105118.1173.5-49.8-178000110.3W425 C429 T431W425-I440 PolarHBondContact NE1-O 3.09Å; C429-I440 HydrophobicContact CB-CD1 3.69Å; C429-I440 HydrophobicContact CB-CG1 4.12Å; T431-I440 WeakPolarHBondContact OG1-CD1 3.2Å; T431-I440 WeakPolarHBondContact OG1-CG1 3.44Å
441D78.6Confident87.8Confident101 Ų10146.7 Ų46.754%0.5426%0.257SS..SBendtrans-84.5-24.6173.2-70.5-48.3000113.5R372 W439 G443R372-D441 IonicContact CZ-OD1 2.7Å; R372-D441 IonicContact NH2-OD1 2.62Å; R372-D441 PolarHBondContact NH2-OD1 3.11Å; R372-D441 IonicContact NH2-OD2 3Å; W439-D441 PolarHBondContact NE1-OD1 3.25Å; D441-G443 PolarHBondContact O-N 3.11Å
442G75.3Confident87.8Confident60 Ų6044.2 Ų44.262%0.61924%0.242SC*.SBendtrans-67.10.9-177.100000116.1
443G81.1Confident87.9Confident14 Ų1442.4 Ų42.414%0.14423%0.233CC..  trans82.8179.3-179.500000113.9D441 V500D441-G443 PolarHBondContact O-N 3.11Å; G443-V500 CarbonylContact C-O 3.37Å; G443-V500 WeakPolarHBondContact CA-O 3.42Å
444M87.9Confident88Confident9 Ų940.4 Ų40.44%0.04422%0.221CC..EExtended strand (participates in β ladder)trans-124.7140.9-179.7156.217136.300109.2F424 W425 H448 F449 L452 V500F424-M444 HydrophobicContact CE1-CE 4.48Å; W425-M444 HydrophobicContact CD2-CE 4.45Å; W425-M444 HydrophobicContact CE3-CE 3.72Å; W425-M444 HydrophobicContact CH2-CB 3.84Å; W425-M444 HydrophobicContact CH2-CE 3.78Å; W425-M444 HydrophobicContact CZ2-CB 4.17Å; W425-M444 HydrophobicContact CZ3-CB 4.48Å; W425-M444 HydrophobicContact CZ3-CE 3.35Å; M444-H448 HydrophobicContact CG-CB 4.01Å; M444-H448 HydrophobicContact SD-CB 4.15Å; M444-H448 PolarHBondContact SD-CD2 2.82Å; M444-F449 HydrophobicContact CE-CB 4.02Å; M444-F449 HydrophobicContact CE-CD2 3.71Å; M444-F449 HydrophobicContact CE-CG 4.37Å; M444-F449 HydrophobicContact CG-CB 3.98Å; M444-F449 WeakPolarHBondContact SD-CA 3.34Å; M444-F449 HydrophobicContact SD-CB 3.77Å; M444-F449 PolarHBondContact SD-N 3.09Å; M444-F449 VanDerWaalsContact SD-N 3.4Å; M444-L452 HydrophobicContact CE-CD1 4.18Å; M444-L452 HydrophobicContact SD-CD1 3.53Å; M444-L452 VanDerWaalsContact SD-CD1 3.53Å; M444-V500 PolarHBondContact N-O 2.95Å; M444-V500 PolarHBondContact O-N 2.78Å
445H89Confident88.1Confident118 Ų11841.2 Ų41.255%0.54622%0.218SC..EExtended strand (participates in β ladder)trans-60.8143.8173.3-79.5-68.7000112.1D447 H448 F449 Q497H445-D447 VanDerWaalsContact C-N 3.35Å; H445-D447 PolarHBondContact O-N 2.93Å; H445-H448 PolarHBondContact O-N 2.95Å; H445-H448 VanDerWaalsContact O-N 3.15Å; H445-F449 PolarHBondContact O-N 3.49Å; H445-Q497 PolarHBondContact CE1-O 2.94Å; H445-Q497 PolarHBondContact ND1-O 2.88Å; H445-Q497 VanDerWaalsContact ND1-O 3.07Å
446W88.1Confident88.2Confident7 Ų742 Ų423%0.02722%0.221CC..Hα-helixtrans-53.9-46-176.8177.8-119.9000113.3H448 F449 K450 F472 L475 K476 L479 V493 Q498 V500W446-H448 VanDerWaalsContact C-N 3.34Å; W446-H448 PolarHBondContact O-N 2.96Å; W446-F449 AromaticContact CE3-CD1 3.97Å; W446-F449 HydrophobicContact CE3-CD1 3.97Å; W446-F449 AromaticContact CZ3-CD1 3.73Å; W446-F449 HydrophobicContact CZ3-CD1 3.73Å; W446-F449 HydrophobicContact CZ3-CE1 4.03Å; W446-F449 PolarHBondContact O-N 3.37Å; W446-K450 HydrophobicContact CD2-CD 4.44Å; W446-K450 HydrophobicContact CD2-CG 4.1Å; W446-K450 HydrophobicContact CZ2-CD 4.15Å; W446-K450 HydrophobicContact CZ2-CG 4.08Å; W446-K450 WeakPolarHBondContact O-CG 3.44Å; W446-K450 PolarHBondContact O-N 3.49Å; W446-F472 HydrophobicContact CH2-CB 4.19Å; W446-F472 HydrophobicContact CH2-CD1 4.35Å; W446-F472 HydrophobicContact CZ2-CB 3.73Å; W446-F472 WeakPolarHBondContact CZ2-O 3.17Å; W446-L475 HydrophobicContact CH2-CB 4.34Å; W446-K476 HydrophobicContact CH2-CB 3.98Å; W446-K476 HydrophobicContact CH2-CG 4.23Å; W446-K476 HydrophobicContact CZ2-CB 3.84Å; W446-K476 HydrophobicContact CZ2-CD 4.4Å; W446-K476 HydrophobicContact CZ2-CG 3.91Å; W446-L479 HydrophobicContact CH2-CD1 4.29Å; W446-L479 HydrophobicContact CZ3-CD1 3.68Å; W446-V493 HydrophobicContact CD2-CG1 4.15Å; W446-V493 HydrophobicContact CE3-CG1 3.77Å; W446-V493 HydrophobicContact CZ3-CG1 4.03Å; W446-Q498 HydrophobicContact CB-CB 3.91Å; W446-Q498 WeakPolarHBondContact CB-O 3.13Å; W446-Q498 PolarHBondContact N-O 3.48Å; W446-V500 HydrophobicContact CE3-CG2 3.51Å; W446-V500 HydrophobicContact CZ3-CG2 4.01Å
447D89.8Confident88.1Confident99 Ų9941.7 Ų41.753%0.52922%0.219SC..Hα-helixtrans-64.6-38.6-179.5-68.9-42.9000112.7H445 K450 H451H445-D447 VanDerWaalsContact C-N 3.35Å; H445-D447 PolarHBondContact O-N 2.93Å; D447-K450 PolarHBondContact O-N 3.22Å; D447-K450 WeakPolarHBondContact OD1-CE 3.47Å; D447-K450 IonicContact OD1-NZ 3.48Å; D447-K450 PolarHBondContact OD1-NZ 2.92Å; D447-H451 WeakPolarHBondContact O-CB 3.3Å; D447-H451 PolarHBondContact O-N 2.85Å
448H90.2Very high88.1Confident73 Ų7344.6 Ų44.634%0.33823%0.232SC..Hα-helixtrans-65.5-44.1174.1-167.554.9000110.9G428 M444 H445 W446 K450 H451 L452G428-H448 PolarHBondContact O-NE2 2.99Å; M444-H448 HydrophobicContact CG-CB 4.01Å; M444-H448 HydrophobicContact SD-CB 4.15Å; M444-H448 PolarHBondContact SD-CD2 2.82Å; H445-H448 PolarHBondContact O-N 2.95Å; H445-H448 VanDerWaalsContact O-N 3.15Å; W446-H448 VanDerWaalsContact C-N 3.34Å; W446-H448 PolarHBondContact O-N 2.96Å; H448-K450 PolarHBondContact O-N 3.43Å; H448-H451 PolarHBondContact O-N 3.42Å; H448-L452 VanDerWaalsContact O-CG 3.28Å; H448-L452 WeakPolarHBondContact O-CG 3.41Å; H448-L452 PolarHBondContact O-N 3.06Å
449F90.7Very high88Confident0 Ų042.9 Ų42.90%023%0.226CC..Hα-helixtrans-59.8-46.5175.4174.6-99.4000112F424 M444 H445 W446 H451 L452 F453 L479 V500 V505F424-F449 HydrophobicContact CE1-CD2 4.19Å; F424-F449 HydrophobicContact CE1-CE2 4Å; F424-F449 HydrophobicContact CZ-CD2 4.39Å; F424-F449 HydrophobicContact CZ-CE2 4.31Å; M444-F449 HydrophobicContact CE-CB 4.02Å; M444-F449 HydrophobicContact CE-CD2 3.71Å; M444-F449 HydrophobicContact CE-CG 4.37Å; M444-F449 HydrophobicContact CG-CB 3.98Å; M444-F449 WeakPolarHBondContact SD-CA 3.34Å; M444-F449 HydrophobicContact SD-CB 3.77Å; M444-F449 PolarHBondContact SD-N 3.09Å; M444-F449 VanDerWaalsContact SD-N 3.4Å; H445-F449 PolarHBondContact O-N 3.49Å; W446-F449 AromaticContact CE3-CD1 3.97Å; W446-F449 HydrophobicContact CE3-CD1 3.97Å; W446-F449 AromaticContact CZ3-CD1 3.73Å; W446-F449 HydrophobicContact CZ3-CD1 3.73Å; W446-F449 HydrophobicContact CZ3-CE1 4.03Å; W446-F449 PolarHBondContact O-N 3.37Å; F449-H451 PolarHBondContact O-N 3.18Å; F449-L452 PolarHBondContact O-N 2.9Å; F449-F453 HydrophobicContact CE1-CB 4.44Å; F449-F453 HydrophobicContact CE1-CD2 4.24Å; F449-F453 HydrophobicContact CE1-CG 4.47Å; F449-F453 HydrophobicContact CE2-CD2 4.2Å; F449-F453 HydrophobicContact CZ-CB 4.44Å; F449-F453 AromaticContact CZ-CD2 3.66Å; F449-F453 HydrophobicContact CZ-CD2 3.66Å; F449-F453 HydrophobicContact CZ-CE2 4.2Å; F449-F453 HydrophobicContact CZ-CG 4.3Å; F449-F453 VanDerWaalsContact O-CB 3.24Å; F449-F453 WeakPolarHBondContact O-CB 3.33Å; F449-F453 PolarHBondContact O-N 2.95Å; F449-L479 HydrophobicContact CE1-CD1 3.86Å; F449-L479 HydrophobicContact CZ-CD1 4.26Å; F449-V500 HydrophobicContact CB-CG2 4.17Å; F449-V500 HydrophobicContact CD1-CG2 4.18Å; F449-V500 HydrophobicContact CD2-CG1 4.32Å; F449-V500 HydrophobicContact CG-CB 4.47Å; F449-V500 HydrophobicContact CG-CG1 4.42Å; F449-V500 HydrophobicContact CG-CG2 4.13Å; F449-V505 HydrophobicContact CE2-CG2 3.77Å; F449-V505 HydrophobicContact CZ-CG2 4.28Å
450K90.9Very high87.9Confident27 Ų2743.6 Ų43.612%0.11723%0.231CC..Hα-helixtrans-56.9-49.3176-75-168.3-66.11680111W446 D447 H448 L452 F453 K454 D469 F472W446-K450 HydrophobicContact CD2-CD 4.44Å; W446-K450 HydrophobicContact CD2-CG 4.1Å; W446-K450 HydrophobicContact CZ2-CD 4.15Å; W446-K450 HydrophobicContact CZ2-CG 4.08Å; W446-K450 WeakPolarHBondContact O-CG 3.44Å; W446-K450 PolarHBondContact O-N 3.49Å; D447-K450 PolarHBondContact O-N 3.22Å; D447-K450 WeakPolarHBondContact OD1-CE 3.47Å; D447-K450 IonicContact OD1-NZ 3.48Å; D447-K450 PolarHBondContact OD1-NZ 2.92Å; H448-K450 PolarHBondContact O-N 3.43Å; K450-L452 PolarHBondContact O-N 2.97Å; K450-F453 PolarHBondContact O-N 3.06Å; K450-K454 WeakPolarHBondContact O-CB 3.45Å; K450-K454 VanDerWaalsContact O-CG 3.24Å; K450-K454 WeakPolarHBondContact O-CG 3.42Å; K450-K454 PolarHBondContact O-N 2.88Å; K450-D469 IonicContact NZ-OD1 3.6Å; K450-D469 PolarHBondContact NZ-OD1 3.48Å; K450-D469 VanDerWaalsContact NZ-OD1 3.13Å; K450-F472 HydrophobicContact CB-CD1 4.35Å; K450-F472 HydrophobicContact CB-CE1 4.33Å; K450-F472 HydrophobicContact CD-CB 3.93Å; K450-F472 HydrophobicContact CD-CD1 4.35Å; K450-F472 HydrophobicContact CD-CD2 4.31Å; K450-F472 HydrophobicContact CD-CG 3.93Å; K450-F472 HydrophobicContact CG-CB 4.17Å; K450-F472 HydrophobicContact CG-CD1 3.7Å; K450-F472 HydrophobicContact CG-CD2 4.36Å; K450-F472 HydrophobicContact CG-CE1 4.16Å; K450-F472 HydrophobicContact CG-CG 3.8Å
451H91.5Very high88.1Confident102 Ų10241 Ų4147%0.47222%0.219SC..Hα-helixtrans-57.5-49.4179.4178.373.9000111.5D447 H448 F449 F453 K454 Q455D447-H451 WeakPolarHBondContact O-CB 3.3Å; D447-H451 PolarHBondContact O-N 2.85Å; H448-H451 PolarHBondContact O-N 3.42Å; F449-H451 PolarHBondContact O-N 3.18Å; H451-F453 PolarHBondContact O-N 3.37Å; H451-K454 PolarHBondContact O-N 2.96Å; H451-Q455 WeakPolarHBondContact O-CB 3.36Å; H451-Q455 PolarHBondContact O-N 3.39Å
452L91.8Very high88.6Confident4 Ų440.6 Ų40.62%0.02122%0.216CC..Hα-helixtrans-64-40.8178.3-67.1178.1000112.9R138 F424 M444 H448 F449 K450 Q455 H456R138-L452 VanDerWaalsContact CD-CD2 3.48Å; R138-L452 HydrophobicContact CG-CD2 4.16Å; F424-L452 HydrophobicContact CE2-CB 3.81Å; F424-L452 HydrophobicContact CZ-CB 3.69Å; M444-L452 HydrophobicContact CE-CD1 4.18Å; M444-L452 HydrophobicContact SD-CD1 3.53Å; M444-L452 VanDerWaalsContact SD-CD1 3.53Å; H448-L452 VanDerWaalsContact O-CG 3.28Å; H448-L452 WeakPolarHBondContact O-CG 3.41Å; H448-L452 PolarHBondContact O-N 3.06Å; F449-L452 PolarHBondContact O-N 2.9Å; K450-L452 PolarHBondContact O-N 2.97Å; L452-Q455 PolarHBondContact O-N 3.22Å; L452-H456 VanDerWaalsContact O-CB 3.25Å; L452-H456 WeakPolarHBondContact O-CB 3.31Å; L452-H456 PolarHBondContact O-N 3.29Å
453F91.2Very high89.4Confident0 Ų037.9 Ų37.90%019%0.188CC..Hα-helixtrans-67.9-42.1-179.7-165.8-90.3000111.4F449 K450 H451 Q455 H456 F457 L467 F472 L475 V523 W524 M527F449-F453 HydrophobicContact CE1-CB 4.44Å; F449-F453 HydrophobicContact CE1-CD2 4.24Å; F449-F453 HydrophobicContact CE1-CG 4.47Å; F449-F453 HydrophobicContact CE2-CD2 4.2Å; F449-F453 HydrophobicContact CZ-CB 4.44Å; F449-F453 AromaticContact CZ-CD2 3.66Å; F449-F453 HydrophobicContact CZ-CD2 3.66Å; F449-F453 HydrophobicContact CZ-CE2 4.2Å; F449-F453 HydrophobicContact CZ-CG 4.3Å; F449-F453 VanDerWaalsContact O-CB 3.24Å; F449-F453 WeakPolarHBondContact O-CB 3.33Å; F449-F453 PolarHBondContact O-N 2.95Å; K450-F453 PolarHBondContact O-N 3.06Å; H451-F453 PolarHBondContact O-N 3.37Å; F453-Q455 VanDerWaalsContact C-N 3.35Å; F453-H456 PolarHBondContact O-N 2.86Å; F453-F457 WeakPolarHBondContact O-CB 3.48Å; F453-F457 PolarHBondContact O-N 3.16Å; F453-L467 HydrophobicContact CD1-CD1 4.14Å; F453-L467 HydrophobicContact CE1-CD1 4.17Å; F453-F472 HydrophobicContact CB-CE1 3.88Å; F453-F472 HydrophobicContact CB-CZ 4.22Å; F453-F472 AromaticContact CD1-CE1 3.46Å; F453-F472 HydrophobicContact CD1-CE1 3.46Å; F453-F472 VanDerWaalsContact CD1-CE1 3.46Å; F453-F472 AromaticContact CD1-CZ 3.69Å; F453-F472 HydrophobicContact CD1-CZ 3.69Å; F453-F472 HydrophobicContact CE1-CE1 4.22Å; F453-F472 AromaticContact CG-CE1 3.93Å; F453-F472 HydrophobicContact CG-CE1 3.93Å; F453-F472 HydrophobicContact CG-CZ 4.37Å; F453-L475 HydrophobicContact CD1-CD1 4.41Å; F453-L475 HydrophobicContact CE1-CD1 3.82Å; F453-L475 HydrophobicContact CZ-CD1 4.2Å; F453-V523 HydrophobicContact CE2-CG1 4.03Å; F453-V523 HydrophobicContact CZ-CG1 4.09Å; F453-W524 HydrophobicContact CD2-CZ3 4.5Å; F453-W524 HydrophobicContact CE2-CE3 4.48Å; F453-M527 HydrophobicContact CD1-CE 3.34Å; F453-M527 HydrophobicContact CD2-CE 3.9Å; F453-M527 HydrophobicContact CE1-CE 3.09Å; F453-M527 HydrophobicContact CE1-SD 4.21Å; F453-M527 HydrophobicContact CE2-CB 4.17Å; F453-M527 HydrophobicContact CE2-CE 3.66Å; F453-M527 HydrophobicContact CE2-CG 4.33Å; F453-M527 HydrophobicContact CG-CE 3.77Å; F453-M527 HydrophobicContact CZ-CB 3.97Å; F453-M527 HydrophobicContact CZ-CE 3.27Å; F453-M527 HydrophobicContact CZ-CG 4.21Å; F453-M527 HydrophobicContact CZ-SD 4.09Å
454K91.9Very high89.8Confident36 Ų3644 Ų4416%0.15721%0.213CC..Hα-helixtrans-56.7-49.4171-74.8178.8-176.51790110.8K450 H451 F457 K458 L467 D469 F472K450-K454 WeakPolarHBondContact O-CB 3.45Å; K450-K454 VanDerWaalsContact O-CG 3.24Å; K450-K454 WeakPolarHBondContact O-CG 3.42Å; K450-K454 PolarHBondContact O-N 2.88Å; H451-K454 PolarHBondContact O-N 2.96Å; K454-F457 PolarHBondContact O-N 2.98Å; K454-K458 WeakPolarHBondContact O-CB 3.34Å; K454-K458 PolarHBondContact O-N 3.07Å; K454-L467 WeakPolarHBondContact CD-O 3.34Å; K454-L467 VanDerWaalsContact CE-O 3.29Å; K454-L467 WeakPolarHBondContact CE-O 3.28Å; K454-L467 HydrophobicContact CG-CB 4.17Å; K454-D469 IonicContact NZ-OD1 2.55Å; K454-D469 PolarHBondContact NZ-OD1 3.27Å; K454-D469 IonicContact NZ-OD2 2.74Å; K454-D469 PolarHBondContact NZ-OD2 3.47Å; K454-F472 HydrophobicContact CD-CE2 4.06Å; K454-F472 HydrophobicContact CD-CZ 4.45Å; K454-F472 HydrophobicContact CG-CE2 3.55Å; K454-F472 HydrophobicContact CG-CZ 3.56Å
455Q90Very high89.9Confident43 Ų4346.6 Ų46.620%0.20122%0.222CC..Hα-helixtrans-65.8-43.1-178.6-17462.60.900111.8D139 H451 L452 F453 F457 K458 V459D139-Q455 VanDerWaalsContact OD1-CG 3.28Å; D139-Q455 WeakPolarHBondContact OD1-CG 3.42Å; D139-Q455 PolarHBondContact OD1-NE2 3.38Å; H451-Q455 WeakPolarHBondContact O-CB 3.36Å; H451-Q455 PolarHBondContact O-N 3.39Å; L452-Q455 PolarHBondContact O-N 3.22Å; F453-Q455 VanDerWaalsContact C-N 3.35Å; Q455-F457 PolarHBondContact O-N 2.99Å; Q455-K458 PolarHBondContact O-N 2.94Å; Q455-V459 HydrophobicContact CG-CG2 4.33Å; Q455-V459 VanDerWaalsContact O-CB 3.3Å; Q455-V459 WeakPolarHBondContact O-CB 3.44Å; Q455-V459 VanDerWaalsContact O-CG2 3.26Å; Q455-V459 WeakPolarHBondContact O-CG2 3.26Å; Q455-V459 PolarHBondContact O-N 3.29Å
456H90.5Very high89.9Confident32 Ų3242.6 Ų42.615%0.14821%0.207CC..Hα-helixtrans-59.7-44.8175.4-174.879.5000111.7F424 L452 F453 N460 W524F424-H456 HydrophobicContact CD2-CB 4.17Å; F424-H456 HydrophobicContact CE2-CB 3.93Å; L452-H456 VanDerWaalsContact O-CB 3.25Å; L452-H456 WeakPolarHBondContact O-CB 3.31Å; L452-H456 PolarHBondContact O-N 3.29Å; F453-H456 PolarHBondContact O-N 2.86Å; H456-N460 PolarHBondContact CE1-ND2 3.37Å; H456-N460 VanDerWaalsContact CE1-ND2 3.27Å; H456-N460 PolarHBondContact ND1-ND2 2.98Å; H456-N460 VanDerWaalsContact ND1-ND2 3.2Å; H456-N460 VanDerWaalsContact O-CB 3.3Å; H456-N460 WeakPolarHBondContact O-CB 3.46Å; H456-N460 PolarHBondContact O-N 3.24Å; H456-N460 PolarHBondContact O-ND2 3.25Å; H456-W524 AromaticContact CD2-CH2 3.71Å; H456-W524 AromaticContact CE1-CH2 3.84Å; H456-W524 AromaticContact NE2-CH2 3.55Å; H456-W524 AromaticContact NE2-CZ2 3.85Å
457F90.3Very high90Very high0 Ų042.5 Ų42.50%021%0.207CC..Hα-helixtrans-60.2-54.5174.1177.4-106.9000111.2F453 K454 Q455 V459 N460 A461 V463 L467 M527 L530 L531 F534 W545F453-F457 WeakPolarHBondContact O-CB 3.48Å; F453-F457 PolarHBondContact O-N 3.16Å; K454-F457 PolarHBondContact O-N 2.98Å; Q455-F457 PolarHBondContact O-N 2.99Å; F457-V459 VanDerWaalsContact C-N 3.33Å; F457-V459 PolarHBondContact O-N 2.91Å; F457-N460 PolarHBondContact O-N 2.89Å; F457-A461 HydrophobicContact CD2-CB 4.24Å; F457-A461 HydrophobicContact CE2-CB 4Å; F457-A461 HydrophobicContact CZ-CB 4.23Å; F457-A461 WeakPolarHBondContact O-CB 3.43Å; F457-A461 PolarHBondContact O-N 3.43Å; F457-V463 HydrophobicContact CD1-CG2 4.3Å; F457-V463 HydrophobicContact CE1-CG2 3.94Å; F457-L467 HydrophobicContact CB-CD1 4.06Å; F457-L467 HydrophobicContact CD1-CD1 4.12Å; F457-L467 HydrophobicContact CD1-CD2 4.45Å; F457-L467 HydrophobicContact CD1-CG 3.79Å; F457-L467 HydrophobicContact CE1-CD2 4.38Å; F457-L467 HydrophobicContact CE1-CG 4.17Å; F457-L467 HydrophobicContact CG-CD1 4.01Å; F457-L467 HydrophobicContact CG-CG 4.21Å; F457-M527 HydrophobicContact CB-CE 3.62Å; F457-M527 HydrophobicContact CB-SD 4.23Å; F457-M527 HydrophobicContact CD2-CE 4.38Å; F457-M527 HydrophobicContact CD2-SD 3.93Å; F457-M527 HydrophobicContact CG-CE 4.43Å; F457-L530 HydrophobicContact CD2-CD2 3.89Å; F457-L530 HydrophobicContact CE2-CD2 3.43Å; F457-L530 VanDerWaalsContact CE2-CD2 3.43Å; F457-L530 HydrophobicContact CE2-CG 4.08Å; F457-L530 HydrophobicContact CZ-CD2 4.33Å; F457-L531 HydrophobicContact CD2-CD2 4.09Å; F457-F534 HydrophobicContact CE2-CD2 4.32Å; F457-F534 HydrophobicContact CE2-CE2 4.11Å; F457-F534 HydrophobicContact CE2-CZ 4.22Å; F457-F534 HydrophobicContact CZ-CD1 4.38Å; F457-F534 AromaticContact CZ-CE1 3.86Å; F457-F534 HydrophobicContact CZ-CE1 3.86Å; F457-F534 AromaticContact CZ-CE2 4Å; F457-F534 HydrophobicContact CZ-CE2 4Å; F457-F534 AromaticContact CZ-CZ 3.65Å; F457-F534 HydrophobicContact CZ-CZ 3.65Å; F457-W545 AromaticContact CE1-CE2 3.92Å; F457-W545 AromaticContact CE1-CZ2 3.78Å; F457-W545 HydrophobicContact CE1-CZ2 3.78Å; F457-W545 HydrophobicContact CZ-CZ2 4.25Å
458K90.9Very high89.9Confident66 Ų6642.4 Ų42.429%0.28721%0.206SC..Hα-helixtrans-53.8-50.4-176.6-174.2-178176.7171.70111.9K454 Q455 D462 V463 Q464K454-K458 WeakPolarHBondContact O-CB 3.34Å; K454-K458 PolarHBondContact O-N 3.07Å; Q455-K458 PolarHBondContact O-N 2.94Å; K458-D462 PolarHBondContact O-N 3.46Å; K458-V463 WeakPolarHBondContact CE-O 3.22Å; K458-V463 HydrophobicContact CG-CG2 4.49Å; K458-V463 WeakPolarHBondContact CG-O 3.49Å; K458-V463 PolarHBondContact O-N 3.45Å; K458-Q464 WeakPolarHBondContact CE-O 3.09Å
459V86.8Confident89.8Confident27 Ų2742.7 Ų42.716%0.16421%0.21CC..Hα-helixtrans-69.4-49.8-177169.50000111.4D139 Q140 Q455 F457 D462D139-V459 VanDerWaalsContact O-CG2 3.3Å; D139-V459 WeakPolarHBondContact O-CG2 3.09Å; Q140-V459 HydrophobicContact CB-CG1 3.48Å; Q140-V459 VanDerWaalsContact CB-CG1 3.48Å; Q140-V459 HydrophobicContact CG-CG1 3.36Å; Q455-V459 HydrophobicContact CG-CG2 4.33Å; Q455-V459 VanDerWaalsContact O-CB 3.3Å; Q455-V459 WeakPolarHBondContact O-CB 3.44Å; Q455-V459 VanDerWaalsContact O-CG2 3.26Å; Q455-V459 WeakPolarHBondContact O-CG2 3.26Å; Q455-V459 PolarHBondContact O-N 3.29Å; F457-V459 VanDerWaalsContact C-N 3.33Å; F457-V459 PolarHBondContact O-N 2.91Å; V459-D462 PolarHBondContact O-N 2.88Å
460N86.6Confident89.4Confident43 Ų4347.7 Ų47.723%0.2324%0.237CC..Hα-helixtrans-78.6-26.8-174.5-67.9-87.3000112.7Q140 H456 F457 L531 H535Q140-N460 PolarHBondContact NE2-OD1 2.79Å; H456-N460 PolarHBondContact CE1-ND2 3.37Å; H456-N460 VanDerWaalsContact CE1-ND2 3.27Å; H456-N460 PolarHBondContact ND1-ND2 2.98Å; H456-N460 VanDerWaalsContact ND1-ND2 3.2Å; H456-N460 VanDerWaalsContact O-CB 3.3Å; H456-N460 WeakPolarHBondContact O-CB 3.46Å; H456-N460 PolarHBondContact O-N 3.24Å; H456-N460 PolarHBondContact O-ND2 3.25Å; F457-N460 PolarHBondContact O-N 2.89Å; N460-L531 HydrophobicContact CB-CD1 3.8Å; N460-L531 HydrophobicContact CB-CD2 3.9Å; N460-L531 HydrophobicContact CB-CG 4.47Å; N460-H535 PolarHBondContact O-NE2 3.21Å
461A88.3Confident89Confident1 Ų146.8 Ų46.81%0.00823%0.233CC..THydrogen-bonded Turntrans-80.2-7171.800000112.7F457 V463 L531 F534F457-A461 HydrophobicContact CD2-CB 4.24Å; F457-A461 HydrophobicContact CE2-CB 4Å; F457-A461 HydrophobicContact CZ-CB 4.23Å; F457-A461 WeakPolarHBondContact O-CB 3.43Å; F457-A461 PolarHBondContact O-N 3.43Å; A461-V463 HydrophobicContact CB-CG1 4.16Å; A461-V463 HydrophobicContact CB-CG2 4.03Å; A461-L531 HydrophobicContact CB-CD2 3.8Å; A461-F534 HydrophobicContact CB-CB 3.91Å; A461-F534 HydrophobicContact CB-CD1 3.87Å; A461-F534 HydrophobicContact CB-CG 3.99Å
462D89.1Confident88.6Confident92 Ų9241.9 Ų41.949%0.49221%0.21SC..THydrogen-bonded Turntrans56.546.8-175.9-170.225.5000111.4K458 V459 R542K458-D462 PolarHBondContact O-N 3.46Å; V459-D462 PolarHBondContact O-N 2.88Å; D462-R542 PolarHBondContact O-NE 3.34Å; D462-R542 PolarHBondContact O-NH2 3.12Å; D462-R542 IonicContact OD1-NH2 3.82Å; D462-R542 PolarHBondContact OD1-NH2 2.92Å; D462-R542 IonicContact OD2-CZ 3.62Å; D462-R542 IonicContact OD2-NH1 2.72Å; D462-R542 PolarHBondContact OD2-NH1 2.92Å; D462-R542 IonicContact OD2-NH2 2.75Å; D462-R542 PolarHBondContact OD2-NH2 2.95Å
463V90.5Very high87.9Confident3 Ų345.7 Ų45.72%0.01823%0.228CC..  trans-116.2153.4-177.7-65.80000112.5F457 K458 A461 R465 F534 R542 E546F457-V463 HydrophobicContact CD1-CG2 4.3Å; F457-V463 HydrophobicContact CE1-CG2 3.94Å; K458-V463 WeakPolarHBondContact CE-O 3.22Å; K458-V463 HydrophobicContact CG-CG2 4.49Å; K458-V463 WeakPolarHBondContact CG-O 3.49Å; K458-V463 PolarHBondContact O-N 3.45Å; A461-V463 HydrophobicContact CB-CG1 4.16Å; A461-V463 HydrophobicContact CB-CG2 4.03Å; V463-R465 VanDerWaalsContact CG2-O 3.27Å; V463-R465 WeakPolarHBondContact CG2-O 3.45Å; V463-F534 HydrophobicContact CG1-CD1 3.9Å; V463-F534 HydrophobicContact CG1-CE1 4.01Å; V463-R542 HydrophobicContact CG1-CG 3.96Å; V463-E546 WeakPolarHBondContact CA-OE1 3.47Å; V463-E546 WeakPolarHBondContact CB-OE1 3.49Å
464Q89.8Confident86.9Confident142 Ų14247.2 Ų47.266%0.66424%0.236SC*.SBendtrans-88-45.3171.7-63.1-56-32.800111.1K458 S466 E546K458-Q464 WeakPolarHBondContact CE-O 3.09Å; Q464-S466 PolarHBondContact O-N 2.92Å; Q464-E546 PolarHBondContact N-OE1 3.44Å
465R90.1Very high86.1Confident63 Ų6345.6 Ų45.624%0.23823%0.229CC..SBendtrans-69.1119.3173.1-178-179.2170.9-138.5-6.3110.8V463 W545 E546 L550V463-R465 VanDerWaalsContact CG2-O 3.27Å; V463-R465 WeakPolarHBondContact CG2-O 3.45Å; R465-W545 WeakPolarHBondContact CD-O 3.39Å; R465-W545 HydrophobicContact CG-CZ2 4.39Å; R465-W545 PolarHBondContact NH1-O 3.06Å; R465-W545 PolarHBondContact O-NE1 3.35Å; R465-E546 PolarHBondContact N-OE2 3.08Å; R465-L550 PolarHBondContact NH1-O 3.29Å; R465-L550 PolarHBondContact NH2-O 3.4Å
466S89.3Confident85.3Confident35 Ų3545.2 Ų45.225%0.24523%0.226CC..PPolyproline II helixtrans-92.8172.9177.2-163.10000112.2Q464Q464-S466 PolarHBondContact O-N 2.92Å
467L89.6Confident84.2Confident5 Ų549.5 Ų49.53%0.02624%0.242CC..PPolyproline II helixtrans-69.5144.4167.4-62.9166.3000110.2F453 K454 F457 D471 F472 W545 F553 L574F453-L467 HydrophobicContact CD1-CD1 4.14Å; F453-L467 HydrophobicContact CE1-CD1 4.17Å; K454-L467 WeakPolarHBondContact CD-O 3.34Å; K454-L467 VanDerWaalsContact CE-O 3.29Å; K454-L467 WeakPolarHBondContact CE-O 3.28Å; K454-L467 HydrophobicContact CG-CB 4.17Å; F457-L467 HydrophobicContact CB-CD1 4.06Å; F457-L467 HydrophobicContact CD1-CD1 4.12Å; F457-L467 HydrophobicContact CD1-CD2 4.45Å; F457-L467 HydrophobicContact CD1-CG 3.79Å; F457-L467 HydrophobicContact CE1-CD2 4.38Å; F457-L467 HydrophobicContact CE1-CG 4.17Å; F457-L467 HydrophobicContact CG-CD1 4.01Å; F457-L467 HydrophobicContact CG-CG 4.21Å; L467-D471 WeakPolarHBondContact CA-OD2 3.24Å; L467-D471 HydrophobicContact CB-CB 4.4Å; L467-D471 HydrophobicContact CD2-CB 4.4Å; L467-D471 WeakPolarHBondContact CD2-OD2 3.33Å; L467-F472 HydrophobicContact CB-CE2 3.94Å; L467-F472 HydrophobicContact CB-CZ 4.39Å; L467-F472 HydrophobicContact CD1-CZ 4.25Å; L467-W545 HydrophobicContact CD2-CH2 3.87Å; L467-W545 HydrophobicContact CD2-CZ2 4.25Å; L467-F553 HydrophobicContact CD2-CD2 4.25Å; L467-F553 HydrophobicContact CD2-CE2 4.08Å; L467-L574 HydrophobicContact CD2-CD1 4.43Å
468I89.3Confident83.1Confident96 Ų9652.1 Ų52.149%0.49225%0.254SS..PPolyproline II helixtrans-93.9170.4178.259.5168.3000111N470 D471 F472I468-N470 VanDerWaalsContact C-N 3.34Å; I468-N470 HydrophobicContact CD1-CB 4.05Å; I468-N470 HydrophobicContact CG1-CB 4.37Å; I468-N470 PolarHBondContact O-N 2.89Å; I468-D471 HydrophobicContact CG1-CB 4.44Å; I468-D471 VanDerWaalsContact CG1-OD2 3.3Å; I468-D471 WeakPolarHBondContact CG1-OD2 3.4Å; I468-D471 PolarHBondContact N-OD2 3.38Å; I468-D471 WeakPolarHBondContact O-CB 3.39Å; I468-D471 PolarHBondContact O-N 3.45Å; I468-F472 WeakPolarHBondContact O-CD2 3.28Å; I468-F472 WeakPolarHBondContact O-CE2 3.38Å
469D86.1Confident82.3Confident80 Ų8049 Ų4943%0.42824%0.24SC..SBendtrans-65.1-36.2-179.7-78.1-49.9000113.1K450 K454 D471 F472K450-D469 IonicContact NZ-OD1 3.6Å; K450-D469 PolarHBondContact NZ-OD1 3.48Å; K450-D469 VanDerWaalsContact NZ-OD1 3.13Å; K454-D469 IonicContact NZ-OD1 2.55Å; K454-D469 PolarHBondContact NZ-OD1 3.27Å; K454-D469 IonicContact NZ-OD2 2.74Å; K454-D469 PolarHBondContact NZ-OD2 3.47Å; D469-D471 PolarHBondContact O-N 2.86Å; D469-F472 WeakPolarHBondContact O-CB 3.48Å; D469-F472 PolarHBondContact O-N 3.43Å
470N83.9Confident81.5Confident105 Ų10551.3 Ų51.356%0.56125%0.249SC*.G310 helixtrans-59.9-31.7178.7-665.8000112.6I468 F472 E473I468-N470 VanDerWaalsContact C-N 3.34Å; I468-N470 HydrophobicContact CD1-CB 4.05Å; I468-N470 HydrophobicContact CG1-CB 4.37Å; I468-N470 PolarHBondContact O-N 2.89Å; N470-F472 PolarHBondContact O-N 3.39Å; N470-E473 PolarHBondContact O-N 3.29Å; N470-E473 VanDerWaalsContact O-N 3.17Å
471D81.6Confident80.5Confident7 Ų749.4 Ų49.44%0.03724%0.239CC..G310 helixtrans-59.4-21.6176.8-69.3-36.4000112.9L467 I468 D469 G552 F553L467-D471 WeakPolarHBondContact CA-OD2 3.24Å; L467-D471 HydrophobicContact CB-CB 4.4Å; L467-D471 HydrophobicContact CD2-CB 4.4Å; L467-D471 WeakPolarHBondContact CD2-OD2 3.33Å; I468-D471 HydrophobicContact CG1-CB 4.44Å; I468-D471 VanDerWaalsContact CG1-OD2 3.3Å; I468-D471 WeakPolarHBondContact CG1-OD2 3.4Å; I468-D471 PolarHBondContact N-OD2 3.38Å; I468-D471 WeakPolarHBondContact O-CB 3.39Å; I468-D471 PolarHBondContact O-N 3.45Å; D469-D471 PolarHBondContact O-N 2.86Å; D471-G552 VanDerWaalsContact OD1-CA 3.24Å; D471-G552 WeakPolarHBondContact OD1-CA 3.46Å; D471-F553 HydrophobicContact CB-CB 4.33Å; D471-F553 HydrophobicContact CB-CD2 4.14Å; D471-F553 PolarHBondContact OD1-N 3.12Å
472F82.8Confident79.2Confident0 Ų054.7 Ų54.70%027%0.273CS..G310 helixtrans-91.4-11-176.3-70.4-93.9000113.9W446 K450 F453 K454 L467 I468 D469 N470 L474 L475 K476W446-F472 HydrophobicContact CH2-CB 4.19Å; W446-F472 HydrophobicContact CH2-CD1 4.35Å; W446-F472 HydrophobicContact CZ2-CB 3.73Å; W446-F472 WeakPolarHBondContact CZ2-O 3.17Å; K450-F472 HydrophobicContact CB-CD1 4.35Å; K450-F472 HydrophobicContact CB-CE1 4.33Å; K450-F472 HydrophobicContact CD-CB 3.93Å; K450-F472 HydrophobicContact CD-CD1 4.35Å; K450-F472 HydrophobicContact CD-CD2 4.31Å; K450-F472 HydrophobicContact CD-CG 3.93Å; K450-F472 HydrophobicContact CG-CB 4.17Å; K450-F472 HydrophobicContact CG-CD1 3.7Å; K450-F472 HydrophobicContact CG-CD2 4.36Å; K450-F472 HydrophobicContact CG-CE1 4.16Å; K450-F472 HydrophobicContact CG-CG 3.8Å; F453-F472 HydrophobicContact CB-CE1 3.88Å; F453-F472 HydrophobicContact CB-CZ 4.22Å; F453-F472 AromaticContact CD1-CE1 3.46Å; F453-F472 HydrophobicContact CD1-CE1 3.46Å; F453-F472 VanDerWaalsContact CD1-CE1 3.46Å; F453-F472 AromaticContact CD1-CZ 3.69Å; F453-F472 HydrophobicContact CD1-CZ 3.69Å; F453-F472 HydrophobicContact CE1-CE1 4.22Å; F453-F472 AromaticContact CG-CE1 3.93Å; F453-F472 HydrophobicContact CG-CE1 3.93Å; F453-F472 HydrophobicContact CG-CZ 4.37Å; K454-F472 HydrophobicContact CD-CE2 4.06Å; K454-F472 HydrophobicContact CD-CZ 4.45Å; K454-F472 HydrophobicContact CG-CE2 3.55Å; K454-F472 HydrophobicContact CG-CZ 3.56Å; L467-F472 HydrophobicContact CB-CE2 3.94Å; L467-F472 HydrophobicContact CB-CZ 4.39Å; L467-F472 HydrophobicContact CD1-CZ 4.25Å; I468-F472 WeakPolarHBondContact O-CD2 3.28Å; I468-F472 WeakPolarHBondContact O-CE2 3.38Å; D469-F472 WeakPolarHBondContact O-CB 3.48Å; D469-F472 PolarHBondContact O-N 3.43Å; N470-F472 PolarHBondContact O-N 3.39Å; F472-L474 PolarHBondContact O-N 3.15Å; F472-L475 HydrophobicContact CD1-CD1 3.63Å; F472-L475 HydrophobicContact CE1-CD1 3.9Å; F472-L475 HydrophobicContact CG-CD1 4.32Å; F472-L475 WeakPolarHBondContact O-CB 3.42Å; F472-L475 PolarHBondContact O-N 2.89Å; F472-L475 VanDerWaalsContact O-N 3.13Å; F472-K476 PolarHBondContact O-N 3.1Å
473E76.8Confident77.9Confident83 Ų8355.5 Ų55.539%0.38828%0.278SS..Hα-helixtrans-61.3-48.2177.2-67.6-53.2139.700110.1N470 L475 K476 Y477N470-E473 PolarHBondContact O-N 3.29Å; N470-E473 VanDerWaalsContact O-N 3.17Å; E473-L475 PolarHBondContact O-N 3.32Å; E473-K476 WeakPolarHBondContact O-CB 3.38Å; E473-K476 PolarHBondContact O-N 3.28Å; E473-Y477 WeakPolarHBondContact O-CD2 3.49Å; E473-Y477 PolarHBondContact O-N 3.15Å
474L70.9Confident76.4Confident33 Ų3356.5 Ų56.517%0.17329%0.285CS..Hα-helixtrans-58.3-36.5174.3-174.966.3000112.6F472 K478 F553 E555F472-L474 PolarHBondContact O-N 3.15Å; L474-K478 HydrophobicContact CG-CD 4.03Å; L474-K478 VanDerWaalsContact CG-CE 3.47Å; L474-K478 WeakPolarHBondContact O-CD 3.46Å; L474-K478 WeakPolarHBondContact O-CG 3.39Å; L474-K478 PolarHBondContact O-N 3.2Å; L474-F553 HydrophobicContact CD2-CB 4.28Å; L474-E555 HydrophobicContact CD1-CG 4.43Å
475L75.1Confident75Confident1 Ų152.8 Ų52.81%0.00527%0.274CS..Hα-helixtrans-70-34.6177.8-77.4174.3000112.5W446 F453 F472 E473 Y477 K478 L479 V523 F576W446-L475 HydrophobicContact CH2-CB 4.34Å; F453-L475 HydrophobicContact CD1-CD1 4.41Å; F453-L475 HydrophobicContact CE1-CD1 3.82Å; F453-L475 HydrophobicContact CZ-CD1 4.2Å; F472-L475 HydrophobicContact CD1-CD1 3.63Å; F472-L475 HydrophobicContact CE1-CD1 3.9Å; F472-L475 HydrophobicContact CG-CD1 4.32Å; F472-L475 WeakPolarHBondContact O-CB 3.42Å; F472-L475 PolarHBondContact O-N 2.89Å; F472-L475 VanDerWaalsContact O-N 3.13Å; E473-L475 PolarHBondContact O-N 3.32Å; L475-Y477 VanDerWaalsContact C-N 3.3Å; L475-Y477 PolarHBondContact O-N 2.96Å; L475-K478 PolarHBondContact O-N 2.9Å; L475-K478 VanDerWaalsContact O-N 3.17Å; L475-L479 WeakPolarHBondContact O-CB 3.33Å; L475-L479 WeakPolarHBondContact O-CG 3.37Å; L475-L479 PolarHBondContact O-N 3.46Å; L475-V523 HydrophobicContact CD2-CB 4.37Å; L475-V523 HydrophobicContact CD2-CG1 3.53Å; L475-V523 HydrophobicContact CD2-CG2 3.96Å; L475-F576 HydrophobicContact CD2-CD2 3.76Å; L475-F576 HydrophobicContact CD2-CE2 3.59Å; L475-F576 HydrophobicContact CG-CE2 4.36Å
476K73.1Confident73.1Confident35 Ų3554 Ų5415%0.15229%0.292CS..Hα-helixtrans-59.2-42.6178.7-155.6-176.7-171.2179.20111.2W446 F472 E473 Q480 V493 N494W446-K476 HydrophobicContact CH2-CB 3.98Å; W446-K476 HydrophobicContact CH2-CG 4.23Å; W446-K476 HydrophobicContact CZ2-CB 3.84Å; W446-K476 HydrophobicContact CZ2-CD 4.4Å; W446-K476 HydrophobicContact CZ2-CG 3.91Å; F472-K476 PolarHBondContact O-N 3.1Å; E473-K476 WeakPolarHBondContact O-CB 3.38Å; E473-K476 PolarHBondContact O-N 3.28Å; K476-Q480 WeakPolarHBondContact O-CG 3.5Å; K476-Q480 PolarHBondContact O-NE2 2.99Å; K476-V493 HydrophobicContact CG-CG1 3.54Å; K476-N494 VanDerWaalsContact CD-OD1 3.25Å; K476-N494 WeakPolarHBondContact CD-OD1 3.43Å; K476-N494 WeakPolarHBondContact CE-OD1 3.44Å; K476-N494 VanDerWaalsContact CG-OD1 3.31Å; K476-N494 WeakPolarHBondContact CG-OD1 3.4Å
477Y68.2Low71.4Confident123 Ų12356.1 Ų56.148%0.48232%0.319SS..Hα-helixtrans-68-44.6173.4-63.9-79.7000111.9E473 L475 L479 Q480E473-Y477 WeakPolarHBondContact O-CD2 3.49Å; E473-Y477 PolarHBondContact O-N 3.15Å; L475-Y477 VanDerWaalsContact C-N 3.3Å; L475-Y477 PolarHBondContact O-N 2.96Å; Y477-L479 VanDerWaalsContact C-N 3.27Å; Y477-L479 PolarHBondContact O-N 3.09Å; Y477-Q480 WeakPolarHBondContact O-CB 3.46Å; Y477-Q480 PolarHBondContact O-N 3.44Å
478K67.3Low69.7Low55 Ų5563 Ų6324%0.23935%0.351CS..Hα-helixtrans-66.3-27.7-177.8-74164.1179.9-65.50113.5L474 L475 Q480 L510 V523 F576L474-K478 HydrophobicContact CG-CD 4.03Å; L474-K478 VanDerWaalsContact CG-CE 3.47Å; L474-K478 WeakPolarHBondContact O-CD 3.46Å; L474-K478 WeakPolarHBondContact O-CG 3.39Å; L474-K478 PolarHBondContact O-N 3.2Å; L475-K478 PolarHBondContact O-N 2.9Å; L475-K478 VanDerWaalsContact O-N 3.17Å; K478-Q480 VanDerWaalsContact C-N 3.3Å; K478-L510 HydrophobicContact CB-CD2 4.08Å; K478-L510 HydrophobicContact CB-CG 4.15Å; K478-L510 HydrophobicContact CD-CD2 3.38Å; K478-L510 HydrophobicContact CD-CG 4.34Å; K478-L510 HydrophobicContact CG-CD2 3.66Å; K478-L510 HydrophobicContact CG-CG 4.12Å; K478-L510 VanDerWaalsContact NZ-CD2 3.33Å; K478-V523 HydrophobicContact CB-CG2 4.12Å; K478-F576 HydrophobicContact CD-CB 4.23Å; K478-F576 PolarHBondContact NZ-O 3.4Å
479L73.1Confident67.6Low1 Ų165.8 Ų65.81%0.00537%0.367CS..THydrogen-bonded Turntrans-80.1-11.1173.8-70.3167.5000112.6W446 F449 L475 Y477 C481 V493 V500 N504 V523W446-L479 HydrophobicContact CH2-CD1 4.29Å; W446-L479 HydrophobicContact CZ3-CD1 3.68Å; F449-L479 HydrophobicContact CE1-CD1 3.86Å; F449-L479 HydrophobicContact CZ-CD1 4.26Å; L475-L479 WeakPolarHBondContact O-CB 3.33Å; L475-L479 WeakPolarHBondContact O-CG 3.37Å; L475-L479 PolarHBondContact O-N 3.46Å; Y477-L479 VanDerWaalsContact C-N 3.27Å; Y477-L479 PolarHBondContact O-N 3.09Å; L479-C481 PolarHBondContact O-N 2.78Å; L479-V493 HydrophobicContact CB-CG2 4.35Å; L479-V500 HydrophobicContact CD1-CG1 4.39Å; L479-N504 HydrophobicContact CB-CB 4.44Å; L479-N504 HydrophobicContact CD2-CB 4.12Å; L479-N504 WeakPolarHBondContact CD2-O 3.36Å; L479-N504 PolarHBondContact O-ND2 3.36Å; L479-V523 HydrophobicContact CD2-CB 4.03Å; L479-V523 HydrophobicContact CD2-CG1 4.44Å; L479-V523 HydrophobicContact CD2-CG2 3.73Å; L479-V523 HydrophobicContact CG-CG2 3.99Å
480Q69.3Low65.9Low75 Ų7562.9 Ų62.935%0.3536%0.356SS..  trans-83.1106172.7-70.8164.953.300109.7K476 Y477 K478 N494K476-Q480 WeakPolarHBondContact O-CG 3.5Å; K476-Q480 PolarHBondContact O-NE2 2.99Å; Y477-Q480 WeakPolarHBondContact O-CB 3.46Å; Y477-Q480 PolarHBondContact O-N 3.44Å; K478-Q480 VanDerWaalsContact C-N 3.3Å; Q480-N494 PolarHBondContact NE2-ND2 3.37Å; Q480-N494 PolarHBondContact NE2-OD1 3.32Å; Q480-N494 PolarHBondContact OE1-ND2 2.92Å
481C66.8Low64.5Low3 Ų359.4 Ų59.42%0.0234%0.342CS..  trans-115.8115.8174.1167.80000108.8L479 D483 C484 C485 C507 H509L479-C481 PolarHBondContact O-N 2.78Å; C481-D483 PolarHBondContact O-N 2.98Å; C481-D483 PolarHBondContact SG-N 2.84Å; C481-D483 VanDerWaalsContact SG-N 3.43Å; C481-C484 HydrophobicContact CB-CB 3.83Å; C481-C484 PolarHBondContact O-N 3.5Å; C481-C484 PolarHBondContact SG-N 3.44Å; C481-C484 VanDerWaalsContact SG-N 3.38Å; C481-C484 PolarHBondContact SG-SG 3.48Å; C481-C485 PolarHBondContact O-N 3.46Å; C481-C485 PolarHBondContact O-SG 3.21Å; C481-C485 VanDerWaalsContact O-SG 3.41Å; C481-C507 VanDerWaalsContact SG-SG 3.62Å; C481-H509 PolarHBondContact SG-ND1 2.68Å
482P60.9Low63.6Low111 Ų11165.2 Ų65.272%0.72136%0.363SS*.G310 helixtrans-52.7-38.8176.1-25.333.4000112.5C484 C485P482-C484 VanDerWaalsContact C-N 3.28Å; P482-C484 PolarHBondContact O-N 2.99Å; P482-C485 WeakPolarHBondContact O-CB 3.41Å; P482-C485 PolarHBondContact O-N 3.41Å
483D60.4Low62.6Low110 Ų11065.3 Ų65.359%0.58836%0.364SS*.G310 helixtrans-74.5-13.5-179.6-48.7-40.3000113.8C481 H509 R511C481-D483 PolarHBondContact O-N 2.98Å; C481-D483 PolarHBondContact SG-N 2.84Å; C481-D483 VanDerWaalsContact SG-N 3.43Å; D483-H509 IonicContact OD2-CE1 2.89Å; D483-H509 PolarHBondContact OD2-CE1 2.81Å; D483-H509 IonicContact OD2-ND1 3.03Å; D483-H509 PolarHBondContact OD2-ND1 3Å; D483-R511 IonicContact OD2-NH2 3.73Å
484C60.3Low61.9Low24 Ų2465.1 Ų65.116%0.16237%0.366CS..G310 helixtrans-107.85.1179.8-67.50000112.1C481 P482 S486 C507C481-C484 HydrophobicContact CB-CB 3.83Å; C481-C484 PolarHBondContact O-N 3.5Å; C481-C484 PolarHBondContact SG-N 3.44Å; C481-C484 VanDerWaalsContact SG-N 3.38Å; C481-C484 PolarHBondContact SG-SG 3.48Å; P482-C484 VanDerWaalsContact C-N 3.28Å; P482-C484 PolarHBondContact O-N 2.99Å; C484-S486 PolarHBondContact O-N 3.21Å; C484-C507 VanDerWaalsContact SG-SG 3.63Å
485C59.6Low61.5Low64 Ų6464.3 Ų64.343%0.43237%0.365SS..  trans-69.192.1174.4-720000109.8C481 P482 G487C481-C485 PolarHBondContact O-N 3.46Å; C481-C485 PolarHBondContact O-SG 3.21Å; C481-C485 VanDerWaalsContact O-SG 3.41Å; P482-C485 WeakPolarHBondContact O-CB 3.41Å; P482-C485 PolarHBondContact O-N 3.41Å; C485-G487 VanDerWaalsContact C-N 3.31Å; C485-G487 PolarHBondContact O-N 3.48Å
486S51.5Low60.8Low88 Ų8871.2 Ų71.262%0.61541%0.407SS*.  trans-77.282.2172.556.20000110.5C484 Q488C484-S486 PolarHBondContact O-N 3.21Å; S486-Q488 VanDerWaalsContact C-N 3.26Å; S486-Q488 PolarHBondContact O-N 3.18Å
487G52.8Low60.2Low80 Ų8074.3 Ų74.383%0.82542%0.422SS*.SBendtrans51.33.2142.500000122.7C485C485-G487 VanDerWaalsContact C-N 3.31Å; C485-G487 PolarHBondContact O-N 3.48Å
488Q53.6Low60.9Low149 Ų14971.8 Ų71.870%0.69642%0.415SS*.  trans-112.8110.6171-69.1-164.5-800109.7S486 G490 A491S486-Q488 VanDerWaalsContact C-N 3.26Å; S486-Q488 PolarHBondContact O-N 3.18Å; Q488-G490 PolarHBondContact O-N 2.99Å; Q488-A491 PolarHBondContact O-N 3.25Å
489D46.6Very low61.6Low155 Ų15570.2 Ų70.283%0.82941%0.409SS*.THydrogen-bonded Turntrans-64.292.9177.3-75.6-33.9000110.1R492D489-R492 IonicContact OD1-NH2 3.78Å
490G50Low62.1Low19 Ų1970.2 Ų70.220%0.19641%0.409CS..THydrogen-bonded Turntrans148.9-30.917600000114.7Q488 R492 Q497Q488-G490 PolarHBondContact O-N 2.99Å; G490-R492 PolarHBondContact O-N 3.41Å; G490-R492 VanDerWaalsContact O-N 3.09Å; G490-Q497 WeakPolarHBondContact O-CB 3.43Å; G490-Q497 PolarHBondContact O-N 3.39Å
491A53.4Low62.8Low32 Ų3267.7 Ų67.726%0.26440%0.399SS..  trans-87.346.3-177.300000112.7Q488 I499Q488-A491 PolarHBondContact O-N 3.25Å; A491-I499 HydrophobicContact CB-CD1 4.01Å
492R64.1Low63.7Low128 Ų12868.4 Ų68.448%0.48340%0.401SS..SBendtrans-104.9157.4176.3-59.9-174.9-171.9-175.26109.7D489 G490 N494 G495 Q498 I499D489-R492 IonicContact OD1-NH2 3.78Å; G490-R492 PolarHBondContact O-N 3.41Å; G490-R492 VanDerWaalsContact O-N 3.09Å; R492-N494 PolarHBondContact O-N 3.23Å; R492-G495 WeakPolarHBondContact O-CA 3.13Å; R492-G495 PolarHBondContact O-N 3.14Å; R492-Q498 VanDerWaalsContact O-CA 3.24Å; R492-Q498 WeakPolarHBondContact O-CA 3.34Å; R492-Q498 PolarHBondContact O-N 3.48Å; R492-I499 CarbonylContact C-O 3.57Å; R492-I499 PolarHBondContact O-N 2.96Å
493V60.5Low64.6Low3 Ų367 Ų672%0.01838%0.384CS..THydrogen-bonded Turntrans-58.1-36173.8-172.80000111.4W446 K476 L479 I499 V500W446-V493 HydrophobicContact CD2-CG1 4.15Å; W446-V493 HydrophobicContact CE3-CG1 3.77Å; W446-V493 HydrophobicContact CZ3-CG1 4.03Å; K476-V493 HydrophobicContact CG-CG1 3.54Å; L479-V493 HydrophobicContact CB-CG2 4.35Å; V493-I499 WeakPolarHBondContact CG2-O 3.42Å; V493-I499 PolarHBondContact N-O 3.33Å; V493-V500 HydrophobicContact CG2-CG2 4.12Å
494N63.5Low65.5Low79 Ų7962.5 Ų62.542%0.42236%0.36SS..THydrogen-bonded Turntrans-97.54.7172.5-77.610.7000113.5K476 Q480 R492K476-N494 VanDerWaalsContact CD-OD1 3.25Å; K476-N494 WeakPolarHBondContact CD-OD1 3.43Å; K476-N494 WeakPolarHBondContact CE-OD1 3.44Å; K476-N494 VanDerWaalsContact CG-OD1 3.31Å; K476-N494 WeakPolarHBondContact CG-OD1 3.4Å; Q480-N494 PolarHBondContact NE2-ND2 3.37Å; Q480-N494 PolarHBondContact NE2-OD1 3.32Å; Q480-N494 PolarHBondContact OE1-ND2 2.92Å; R492-N494 PolarHBondContact O-N 3.23Å
495G61.3Low66.6Low16 Ų1661.4 Ų61.417%0.16535%0.352CS..SBendtrans-79.3171.417500000110.8R492 Q497 Q498R492-G495 WeakPolarHBondContact O-CA 3.13Å; R492-G495 PolarHBondContact O-N 3.14Å; G495-Q497 PolarHBondContact O-N 3.16Å; G495-Q497 VanDerWaalsContact O-N 3.09Å; G495-Q498 VanDerWaalsContact O-CG 3.29Å; G495-Q498 WeakPolarHBondContact O-CG 3.45Å; G495-Q498 PolarHBondContact O-N 3.18Å
496V59.7Low67.6Low145 Ų14559.2 Ų59.288%0.87934%0.336SS*.THydrogen-bonded Turntrans-54.2-32.6178.8-177.30000112
497Q61.8Low68.8Low100 Ų10055.3 Ų55.347%0.46731%0.309SS..THydrogen-bonded Turntrans-88.7-13.2-177.3-60.8178.2-13.900114.1H445 G490 G495 I499H445-Q497 PolarHBondContact CE1-O 2.94Å; H445-Q497 PolarHBondContact ND1-O 2.88Å; H445-Q497 VanDerWaalsContact ND1-O 3.07Å; G490-Q497 WeakPolarHBondContact O-CB 3.43Å; G490-Q497 PolarHBondContact O-N 3.39Å; G495-Q497 PolarHBondContact O-N 3.16Å; G495-Q497 VanDerWaalsContact O-N 3.09Å; Q497-I499 HydrophobicContact CB-CD1 3.8Å; Q497-I499 HydrophobicContact CB-CG1 3.83Å; Q497-I499 WeakPolarHBondContact O-CG1 3.45Å; Q497-I499 PolarHBondContact O-N 3Å
498Q81.5Confident69.5Low71 Ų7153.6 Ų53.633%0.33228%0.283SS..  trans45.858.5179.9-59.6-170.9-13.700113.7W446 R492 G495W446-Q498 HydrophobicContact CB-CB 3.91Å; W446-Q498 WeakPolarHBondContact CB-O 3.13Å; W446-Q498 PolarHBondContact N-O 3.48Å; R492-Q498 VanDerWaalsContact O-CA 3.24Å; R492-Q498 WeakPolarHBondContact O-CA 3.34Å; R492-Q498 PolarHBondContact O-N 3.48Å; G495-Q498 VanDerWaalsContact O-CG 3.29Å; G495-Q498 WeakPolarHBondContact O-CG 3.45Å; G495-Q498 PolarHBondContact O-N 3.18Å
499I82.6Confident69.7Low22 Ų2249.3 Ų49.311%0.11326%0.263CS..EExtended strand (participates in β ladder)trans-102.3132.1-175.3-60.3179.4000110.6A491 R492 V493 Q497A491-I499 HydrophobicContact CB-CD1 4.01Å; R492-I499 CarbonylContact C-O 3.57Å; R492-I499 PolarHBondContact O-N 2.96Å; V493-I499 WeakPolarHBondContact CG2-O 3.42Å; V493-I499 PolarHBondContact N-O 3.33Å; Q497-I499 HydrophobicContact CB-CD1 3.8Å; Q497-I499 HydrophobicContact CB-CG1 3.83Å; Q497-I499 WeakPolarHBondContact O-CG1 3.45Å; Q497-I499 PolarHBondContact O-N 3Å
500V84.4Confident70.1Confident0 Ų042.3 Ų42.30%023%0.225CC..EExtended strand (participates in β ladder)trans-98.4132.1167.4-176.30000108.1W425 G443 M444 W446 F449 L479 V493 N504 V505W425-V500 WeakPolarHBondContact CH2-O 3.2Å; G443-V500 CarbonylContact C-O 3.37Å; G443-V500 WeakPolarHBondContact CA-O 3.42Å; M444-V500 PolarHBondContact N-O 2.95Å; M444-V500 PolarHBondContact O-N 2.78Å; W446-V500 HydrophobicContact CE3-CG2 3.51Å; W446-V500 HydrophobicContact CZ3-CG2 4.01Å; F449-V500 HydrophobicContact CB-CG2 4.17Å; F449-V500 HydrophobicContact CD1-CG2 4.18Å; F449-V500 HydrophobicContact CD2-CG1 4.32Å; F449-V500 HydrophobicContact CG-CB 4.47Å; F449-V500 HydrophobicContact CG-CG1 4.42Å; F449-V500 HydrophobicContact CG-CG2 4.13Å; L479-V500 HydrophobicContact CD1-CG1 4.39Å; V493-V500 HydrophobicContact CG2-CG2 4.12Å; V500-N504 HydrophobicContact CG1-CB 4.47Å; V500-V505 HydrophobicContact CG1-CG2 3.76Å
501T84.7Confident70.2Confident23 Ų2348.3 Ų48.314%0.14124%0.242CC..PPolyproline II helixtrans-102.4158.3171.587.10000111.2K503 N504 V505T501-K503 PolarHBondContact O-N 3.41Å; T501-K503 PolarHBondContact OG1-N 2.67Å; T501-N504 WeakPolarHBondContact CB-OD1 3.42Å; T501-N504 PolarHBondContact N-OD1 2.94Å; T501-N504 WeakPolarHBondContact O-CB 3.48Å; T501-N504 PolarHBondContact O-N 3.18Å; T501-N504 PolarHBondContact OG1-N 3.42Å; T501-N504 PolarHBondContact OG1-OD1 3.13Å; T501-V505 PolarHBondContact O-N 3.05Å
502F85Confident69.9Low18 Ų1849.1 Ų49.18%0.07924%0.239CC..Hα-helixtrans-55.5-34.7174.7-176.7-109.1000112.5A421 W425 W439 N504 V505 L506A421-F502 HydrophobicContact CB-CE2 3.9Å; A421-F502 HydrophobicContact CB-CZ 4.32Å; W425-F502 HydrophobicContact CB-CD2 3.91Å; W425-F502 HydrophobicContact CB-CE2 4.13Å; W425-F502 HydrophobicContact CD2-CB 4.08Å; W425-F502 AromaticContact CD2-CD2 3.82Å; W425-F502 HydrophobicContact CD2-CD2 3.82Å; W425-F502 HydrophobicContact CD2-CG 4.42Å; W425-F502 HydrophobicContact CE3-CB 4.36Å; W425-F502 AromaticContact CE3-CD2 3.99Å; W425-F502 HydrophobicContact CE3-CD2 3.99Å; W425-F502 AromaticContact CG-CD2 3.78Å; W425-F502 HydrophobicContact CG-CD2 3.78Å; W425-F502 HydrophobicContact CG-CE2 4.46Å; W425-F502 HydrophobicContact CH2-CB 4.48Å; W425-F502 HydrophobicContact CZ2-CB 4.19Å; W439-F502 HydrophobicContact CH2-CB 4.44Å; W439-F502 AromaticContact CH2-CD1 3.81Å; W439-F502 HydrophobicContact CH2-CD1 3.81Å; W439-F502 AromaticContact CH2-CD2 3.65Å; W439-F502 HydrophobicContact CH2-CD2 3.65Å; W439-F502 AromaticContact CH2-CE1 3.84Å; W439-F502 HydrophobicContact CH2-CE1 3.84Å; W439-F502 AromaticContact CH2-CE2 3.69Å; W439-F502 HydrophobicContact CH2-CE2 3.69Å; W439-F502 AromaticContact CH2-CG 3.7Å; W439-F502 HydrophobicContact CH2-CG 3.7Å; W439-F502 AromaticContact CH2-CZ 3.77Å; W439-F502 HydrophobicContact CH2-CZ 3.77Å; W439-F502 HydrophobicContact CZ2-CB 3.95Å; W439-F502 AromaticContact CZ2-CD1 3.67Å; W439-F502 HydrophobicContact CZ2-CD1 3.67Å; W439-F502 HydrophobicContact CZ2-CD2 4.02Å; W439-F502 HydrophobicContact CZ2-CE1 4.11Å; W439-F502 HydrophobicContact CZ2-CE2 4.44Å; W439-F502 AromaticContact CZ2-CG 3.6Å; W439-F502 HydrophobicContact CZ2-CG 3.6Å; W439-F502 HydrophobicContact CZ2-CZ 4.47Å; F502-N504 VanDerWaalsContact C-N 3.34Å; F502-N504 PolarHBondContact O-N 2.74Å; F502-V505 PolarHBondContact O-N 2.7Å; F502-L506 HydrophobicContact CD1-CD1 4.36Å; F502-L506 HydrophobicContact CE1-CD1 3.54Å; F502-L506 HydrophobicContact CE2-CD1 4.09Å; F502-L506 HydrophobicContact CZ-CD1 3.38Å; F502-L506 HydrophobicContact CZ-CG 4.3Å; F502-L506 PolarHBondContact O-N 3.37Å
503K80.1Confident68.8Low80 Ų8048.8 Ų48.835%0.34824%0.243SC..Hα-helixtrans-63.9-38.9176.8-67.1-177-180179.20111.8S354 T501 V505 L506 C507S354-K503 WeakPolarHBondContact OG-CE 3.44Å; T501-K503 PolarHBondContact O-N 3.41Å; T501-K503 PolarHBondContact OG1-N 2.67Å; K503-V505 VanDerWaalsContact C-N 3.34Å; K503-V505 PolarHBondContact O-N 3.42Å; K503-L506 PolarHBondContact O-N 3.07Å; K503-C507 WeakPolarHBondContact O-CB 3.42Å; K503-C507 PolarHBondContact O-N 3.36Å
504N78.8Confident67.7Low17 Ų1749.6 Ų49.69%0.09125%0.248CC..Hα-helixtrans-63.4-41.8177.6-61.678.9000111.1L479 V500 T501 F502 L506 C507L479-N504 HydrophobicContact CB-CB 4.44Å; L479-N504 HydrophobicContact CD2-CB 4.12Å; L479-N504 WeakPolarHBondContact CD2-O 3.36Å; L479-N504 PolarHBondContact O-ND2 3.36Å; V500-N504 HydrophobicContact CG1-CB 4.47Å; T501-N504 WeakPolarHBondContact CB-OD1 3.42Å; T501-N504 PolarHBondContact N-OD1 2.94Å; T501-N504 WeakPolarHBondContact O-CB 3.48Å; T501-N504 PolarHBondContact O-N 3.18Å; T501-N504 PolarHBondContact OG1-N 3.42Å; T501-N504 PolarHBondContact OG1-OD1 3.13Å; F502-N504 VanDerWaalsContact C-N 3.34Å; F502-N504 PolarHBondContact O-N 2.74Å; N504-L506 VanDerWaalsContact C-N 3.31Å; N504-L506 PolarHBondContact O-N 3.37Å; N504-C507 WeakPolarHBondContact O-CB 3.48Å; N504-C507 PolarHBondContact O-N 2.81Å
505V82.6Confident67.1Low1 Ų152.8 Ų52.81%0.00627%0.265CS..Hα-helixtrans-62.4-37.2-178.7175.30000112.4W425 F449 V500 T501 F502 K503 W524W425-V505 HydrophobicContact CZ3-CG2 3.98Å; F449-V505 HydrophobicContact CE2-CG2 3.77Å; F449-V505 HydrophobicContact CZ-CG2 4.28Å; V500-V505 HydrophobicContact CG1-CG2 3.76Å; T501-V505 PolarHBondContact O-N 3.05Å; F502-V505 PolarHBondContact O-N 2.7Å; K503-V505 VanDerWaalsContact C-N 3.34Å; K503-V505 PolarHBondContact O-N 3.42Å; V505-W524 HydrophobicContact CG1-CB 3.82Å; V505-W524 HydrophobicContact CG1-CD2 4.39Å; V505-W524 HydrophobicContact CG1-CE3 4.08Å; V505-W524 HydrophobicContact CG1-CG 4.32Å; V505-W524 PolarHBondContact O-N 2.83Å
506L81.3Confident65.9Low18 Ų1857.9 Ų57.99%0.09430%0.299CS..Hα-helixtrans-95.4-1.2179-70.5-178.7000114.3Y350 A421 F502 K503 N504 P508 S522 W524Y350-L506 PolarHBondContact OH-O 3.06Å; A421-L506 HydrophobicContact CB-CD1 4.29Å; A421-L506 HydrophobicContact CB-CD2 3.67Å; A421-L506 HydrophobicContact CB-CG 4.1Å; F502-L506 HydrophobicContact CD1-CD1 4.36Å; F502-L506 HydrophobicContact CE1-CD1 3.54Å; F502-L506 HydrophobicContact CE2-CD1 4.09Å; F502-L506 HydrophobicContact CZ-CD1 3.38Å; F502-L506 HydrophobicContact CZ-CG 4.3Å; F502-L506 PolarHBondContact O-N 3.37Å; K503-L506 PolarHBondContact O-N 3.07Å; N504-L506 VanDerWaalsContact C-N 3.31Å; N504-L506 PolarHBondContact O-N 3.37Å; L506-P508 WeakPolarHBondContact O-CD 3.2Å; L506-S522 VanDerWaalsContact O-CB 3.27Å; L506-S522 WeakPolarHBondContact O-CB 3.11Å; L506-W524 HydrophobicContact CD2-CB 4.12Å; L506-W524 HydrophobicContact CD2-CG 4.4Å
507C77.1Confident65.3Low6 Ų654.8 Ų54.84%0.04128%0.28CS..  trans-62.5120.8-177.7-1720000111.1Y350 C481 C484 K503 N504 H509 S522Y350-C507 VanDerWaalsContact OH-CA 3.3Å; Y350-C507 WeakPolarHBondContact OH-CA 3.4Å; C481-C507 VanDerWaalsContact SG-SG 3.62Å; C484-C507 VanDerWaalsContact SG-SG 3.63Å; K503-C507 WeakPolarHBondContact O-CB 3.42Å; K503-C507 PolarHBondContact O-N 3.36Å; N504-C507 WeakPolarHBondContact O-CB 3.48Å; N504-C507 PolarHBondContact O-N 2.81Å; C507-H509 PolarHBondContact O-N 3.11Å; C507-H509 VanDerWaalsContact O-N 3.15Å; C507-H509 VanDerWaalsContact SG-CB 3.55Å; C507-S522 WeakPolarHBondContact O-CA 3.43Å; C507-S522 WeakPolarHBondContact O-CB 3.26Å
508P66.8Low65Low44 Ų4453.7 Ų53.729%0.28628%0.278SS..  trans-78.28.7-178.632.4-34.3000113.3Y350 L506 L510 R520 F521Y350-P508 WeakPolarHBondContact OH-CD 3.31Å; L506-P508 WeakPolarHBondContact O-CD 3.2Å; P508-L510 PolarHBondContact O-N 2.8Å; P508-R520 CarbonylContact O-C 3.51Å; P508-R520 WeakPolarHBondContact O-CA 3.43Å; P508-R520 WeakPolarHBondContact O-CB 3.43Å; P508-F521 CarbonylContact C-O 3.42Å; P508-F521 VanDerWaalsContact CA-O 3.27Å; P508-F521 WeakPolarHBondContact CA-O 3.45Å; P508-F521 PolarHBondContact O-N 2.87Å
509H58.7Low64Low59 Ų5952.6 Ų52.627%0.27328%0.275SS..  trans-82.819.5-170.5-63.6-176.4000114C481 D483 C507 R511C481-H509 PolarHBondContact SG-ND1 2.68Å; D483-H509 IonicContact OD2-CE1 2.89Å; D483-H509 PolarHBondContact OD2-CE1 2.81Å; D483-H509 IonicContact OD2-ND1 3.03Å; D483-H509 PolarHBondContact OD2-ND1 3Å; C507-H509 PolarHBondContact O-N 3.11Å; C507-H509 VanDerWaalsContact O-N 3.15Å; C507-H509 VanDerWaalsContact SG-CB 3.55Å; H509-R511 PolarHBondContact O-N 2.88Å
510L54.7Low63.3Low7 Ų758.7 Ų58.74%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-62.293.1155.8-78.3111.9000107.7K478 P508 Y512 F521 S522 V523 F576K478-L510 HydrophobicContact CB-CD2 4.08Å; K478-L510 HydrophobicContact CB-CG 4.15Å; K478-L510 HydrophobicContact CD-CD2 3.38Å; K478-L510 HydrophobicContact CD-CG 4.34Å; K478-L510 HydrophobicContact CG-CD2 3.66Å; K478-L510 HydrophobicContact CG-CG 4.12Å; K478-L510 VanDerWaalsContact NZ-CD2 3.33Å; P508-L510 PolarHBondContact O-N 2.8Å; L510-Y512 PolarHBondContact O-N 2.83Å; L510-F521 HydrophobicContact CB-CD1 4.07Å; L510-F521 HydrophobicContact CB-CE1 3.88Å; L510-F521 HydrophobicContact CB-CZ 4.19Å; L510-F521 VanDerWaalsContact CB-O 3.32Å; L510-F521 WeakPolarHBondContact CB-O 3.49Å; L510-F521 HydrophobicContact CD1-CD2 4.18Å; L510-F521 HydrophobicContact CD1-CE2 4.03Å; L510-F521 HydrophobicContact CD1-CZ 4.36Å; L510-F521 WeakPolarHBondContact CD1-O 3.33Å; L510-F521 HydrophobicContact CD2-CE1 4.05Å; L510-F521 HydrophobicContact CD2-CE2 3.95Å; L510-F521 HydrophobicContact CD2-CZ 3.57Å; L510-F521 HydrophobicContact CG-CE1 4.47Å; L510-F521 HydrophobicContact CG-CE2 4.45Å; L510-F521 HydrophobicContact CG-CZ 4.28Å; L510-F521 PolarHBondContact N-O 2.91Å; L510-S522 VanDerWaalsContact CD1-C 3.41Å; L510-V523 HydrophobicContact CD1-CG2 3.84Å; L510-V523 VanDerWaalsContact CD1-N 3.3Å; L510-F576 HydrophobicContact CD2-CB 3.94Å
511R51.5Low62.8Low146 Ų14659.3 Ų59.355%0.55130%0.3SS*.EExtended strand (participates in β ladder)trans-85.2108.9174.2-62.8-173.8-171-169.35.6107D483 H509D483-R511 IonicContact OD2-NH2 3.73Å; H509-R511 PolarHBondContact O-N 2.88Å
512Y46.3Very low62.5Low48 Ų4858.5 Ų58.519%0.18830%0.295CS..EExtended strand (participates in β ladder)trans-105.7109.3155.2-174.8-108.3000107.6L510 C514 V519 V577 T578 V691L510-Y512 PolarHBondContact O-N 2.83Å; Y512-C514 HydrophobicContact CD1-CB 3.99Å; Y512-C514 HydrophobicContact CE1-CB 3.22Å; Y512-C514 HydrophobicContact CE2-CB 4.37Å; Y512-C514 VanDerWaalsContact CZ-CB 3.46Å; Y512-C514 WeakPolarHBondContact OH-CB 3.06Å; Y512-V519 PolarHBondContact O-N 3.16Å; Y512-V577 WeakPolarHBondContact CB-O 3.32Å; Y512-V577 HydrophobicContact CD1-CG1 3.62Å; Y512-V577 HydrophobicContact CD2-CG1 3.65Å; Y512-V577 HydrophobicContact CE1-CG1 3.52Å; Y512-V577 HydrophobicContact CE2-CG1 3.56Å; Y512-V577 HydrophobicContact CG-CG1 3.66Å; Y512-V577 VanDerWaalsContact CZ-CG1 3.49Å; Y512-T578 HydrophobicContact CD1-CG2 4.35Å; Y512-V691 VanDerWaalsContact OH-CG1 3.28Å; Y512-V691 WeakPolarHBondContact OH-CG1 3.49Å
513E42Very low62.4Low121 Ų12157.7 Ų57.757%0.56529%0.292SS*.EExtended strand (participates in β ladder)trans-106.4101.2174.3-66.6-175174.600107N518E513-N518 PolarHBondContact OE1-ND2 2.89Å
514C38.3Very low62.7Low20 Ų2053.9 Ų53.914%0.13528%0.275CS..EExtended strand (participates in β ladder)trans-126.5115.7170-179.70000107.3Y512 S516 T517Y512-C514 HydrophobicContact CD1-CB 3.99Å; Y512-C514 HydrophobicContact CE1-CB 3.22Å; Y512-C514 HydrophobicContact CE2-CB 4.37Å; Y512-C514 VanDerWaalsContact CZ-CB 3.46Å; Y512-C514 WeakPolarHBondContact OH-CB 3.06Å; C514-S516 PolarHBondContact O-N 3.44Å; C514-T517 PolarHBondContact N-O 3.3Å; C514-T517 PolarHBondContact O-N 3.43Å; C514-T517 PolarHBondContact O-OG1 2.91Å
515N49.5Very low62.9Low146 Ų14655.1 Ų55.178%0.78128%0.278SS*.THydrogen-bonded Turntrans53.5-125.8-176.5-55.7-24000112.4
516S37.1Very low63Low124 Ų12455 Ų5587%0.86728%0.278SS*.THydrogen-bonded Turntrans-85.6-1.5-179.156.40000114.5C514C514-S516 PolarHBondContact O-N 3.44Å
517T46.7Very low63.2Low79 Ų7954.2 Ų54.249%0.48527%0.274SS..EExtended strand (participates in β ladder)trans-98.5108.6-179.232.20000111.3C514C514-T517 PolarHBondContact N-O 3.3Å; C514-T517 PolarHBondContact O-N 3.43Å; C514-T517 PolarHBondContact O-OG1 2.91Å
518N54.8Low63.7Low78 Ų7855.2 Ų55.242%0.41728%0.279SS..EExtended strand (participates in β ladder)trans-103.198.9169.5-163.2-58.5000108E513 R520E513-N518 PolarHBondContact OE1-ND2 2.89Å; N518-R520 PolarHBondContact OD1-NE 2.86Å
519V62.1Low64.6Low47 Ų4755.1 Ų55.129%0.28527%0.274SS..EExtended strand (participates in β ladder)trans-100.4128.3177.7-173.20000108.6Y512 F521 T578Y512-V519 PolarHBondContact O-N 3.16Å; V519-F521 HydrophobicContact CG1-CD1 4.32Å; V519-T578 HydrophobicContact CG2-CG2 4.35Å
520R67.4Low66.1Low150 Ų15052.3 Ų52.357%0.56626%0.261SS*.EExtended strand (participates in β ladder)trans-120.8120.4178.5-65.6-175.2-173.9-172.40109.5P508 N518P508-R520 CarbonylContact O-C 3.51Å; P508-R520 WeakPolarHBondContact O-CA 3.43Å; P508-R520 WeakPolarHBondContact O-CB 3.43Å; N518-R520 PolarHBondContact OD1-NE 2.86Å
521F73.1Confident67.7Low13 Ų1352.5 Ų52.56%0.05726%0.262CS..EExtended strand (participates in β ladder)trans-149.1166.617572.3-78.9000110.1P508 L510 V519 R525 F576 G579P508-F521 CarbonylContact C-O 3.42Å; P508-F521 VanDerWaalsContact CA-O 3.27Å; P508-F521 WeakPolarHBondContact CA-O 3.45Å; P508-F521 PolarHBondContact O-N 2.87Å; L510-F521 HydrophobicContact CB-CD1 4.07Å; L510-F521 HydrophobicContact CB-CE1 3.88Å; L510-F521 HydrophobicContact CB-CZ 4.19Å; L510-F521 VanDerWaalsContact CB-O 3.32Å; L510-F521 WeakPolarHBondContact CB-O 3.49Å; L510-F521 HydrophobicContact CD1-CD2 4.18Å; L510-F521 HydrophobicContact CD1-CE2 4.03Å; L510-F521 HydrophobicContact CD1-CZ 4.36Å; L510-F521 WeakPolarHBondContact CD1-O 3.33Å; L510-F521 HydrophobicContact CD2-CE1 4.05Å; L510-F521 HydrophobicContact CD2-CE2 3.95Å; L510-F521 HydrophobicContact CD2-CZ 3.57Å; L510-F521 HydrophobicContact CG-CE1 4.47Å; L510-F521 HydrophobicContact CG-CE2 4.45Å; L510-F521 HydrophobicContact CG-CZ 4.28Å; L510-F521 PolarHBondContact N-O 2.91Å; V519-F521 HydrophobicContact CG1-CD1 4.32Å; F521-R525 HydrophobicContact CB-CB 4.5Å; F521-R525 HydrophobicContact CB-CG 4.27Å; F521-F576 HydrophobicContact CE2-CB 4.22Å; F521-F576 HydrophobicContact CE2-CD1 4.01Å; F521-F576 HydrophobicContact CE2-CG 4.37Å; F521-F576 HydrophobicContact CZ-CB 3.84Å; F521-F576 HydrophobicContact CZ-CD1 4.34Å; F521-F576 HydrophobicContact CZ-CG 4.46Å; F521-F576 WeakPolarHBondContact CZ-O 3.39Å; F521-G579 VanDerWaalsContact CZ-CA 3.42Å; F521-G579 VanDerWaalsContact CZ-N 3.27Å
522S79.4Confident69.5Low7 Ų749.7 Ų49.75%0.04926%0.256CS..  trans-100.4159.1178.967.20000112.4L506 C507 L510 W524 R525 G526L506-S522 VanDerWaalsContact O-CB 3.27Å; L506-S522 WeakPolarHBondContact O-CB 3.11Å; C507-S522 WeakPolarHBondContact O-CA 3.43Å; C507-S522 WeakPolarHBondContact O-CB 3.26Å; L510-S522 VanDerWaalsContact CD1-C 3.41Å; S522-W524 PolarHBondContact O-N 3.21Å; S522-R525 WeakPolarHBondContact O-CA 3.39Å; S522-R525 WeakPolarHBondContact O-CB 3.44Å; S522-R525 PolarHBondContact O-N 2.81Å; S522-R525 WeakPolarHBondContact OG-CB 3.48Å; S522-R525 PolarHBondContact OG-N 2.77Å; S522-R525 VanDerWaalsContact OG-N 3.13Å; S522-G526 PolarHBondContact O-N 3.05Å
523V82.1Confident71.6Confident1 Ų147.5 Ų47.51%0.00625%0.247CC..Hα-helixtrans-54.5-43.6175.81690000110.6F453 L475 K478 L479 L510 R525 G526 M527F453-V523 HydrophobicContact CE2-CG1 4.03Å; F453-V523 HydrophobicContact CZ-CG1 4.09Å; L475-V523 HydrophobicContact CD2-CB 4.37Å; L475-V523 HydrophobicContact CD2-CG1 3.53Å; L475-V523 HydrophobicContact CD2-CG2 3.96Å; K478-V523 HydrophobicContact CB-CG2 4.12Å; L479-V523 HydrophobicContact CD2-CB 4.03Å; L479-V523 HydrophobicContact CD2-CG1 4.44Å; L479-V523 HydrophobicContact CD2-CG2 3.73Å; L479-V523 HydrophobicContact CG-CG2 3.99Å; L510-V523 HydrophobicContact CD1-CG2 3.84Å; L510-V523 VanDerWaalsContact CD1-N 3.3Å; V523-R525 PolarHBondContact O-N 2.87Å; V523-G526 PolarHBondContact O-N 3.31Å; V523-M527 PolarHBondContact O-N 2.95Å
524W86.8Confident73.9Confident0 Ų041.9 Ų41.90%022%0.221CC..Hα-helixtrans-63.7-41.1176.5-166.7-102000112.8S417 T420 A421 F424 F453 H456 V505 L506 S522 G526 M527 L528S417-W524 PolarHBondContact O-NE1 2.75Å; T420-W524 PolarHBondContact OG1-NE1 2.98Å; A421-W524 HydrophobicContact CB-CD2 4Å; A421-W524 HydrophobicContact CB-CG 3.86Å; F424-W524 HydrophobicContact CB-CH2 3.42Å; F424-W524 VanDerWaalsContact CB-CH2 3.42Å; F424-W524 HydrophobicContact CB-CZ2 3.82Å; F424-W524 HydrophobicContact CB-CZ3 4.11Å; F424-W524 HydrophobicContact CD1-CE3 4.41Å; F424-W524 AromaticContact CD1-CH2 3.9Å; F424-W524 HydrophobicContact CD1-CH2 3.9Å; F424-W524 AromaticContact CD1-CZ3 3.66Å; F424-W524 HydrophobicContact CD1-CZ3 3.66Å; F424-W524 AromaticContact CD2-CH2 3.48Å; F424-W524 HydrophobicContact CD2-CH2 3.48Å; F424-W524 VanDerWaalsContact CD2-CH2 3.48Å; F424-W524 AromaticContact CD2-CZ3 3.76Å; F424-W524 HydrophobicContact CD2-CZ3 3.76Å; F424-W524 AromaticContact CE1-CZ3 3.97Å; F424-W524 HydrophobicContact CE1-CZ3 3.97Å; F424-W524 HydrophobicContact CE2-CH2 4.19Å; F424-W524 HydrophobicContact CE2-CZ3 4.05Å; F424-W524 AromaticContact CG-CH2 3.3Å; F424-W524 HydrophobicContact CG-CH2 3.3Å; F424-W524 HydrophobicContact CG-CZ2 4.19Å; F424-W524 AromaticContact CG-CZ3 3.55Å; F424-W524 HydrophobicContact CG-CZ3 3.55Å; F424-W524 HydrophobicContact CZ-CZ3 4.15Å; F453-W524 HydrophobicContact CD2-CZ3 4.5Å; F453-W524 HydrophobicContact CE2-CE3 4.48Å; H456-W524 AromaticContact CD2-CH2 3.71Å; H456-W524 AromaticContact CE1-CH2 3.84Å; H456-W524 AromaticContact NE2-CH2 3.55Å; H456-W524 AromaticContact NE2-CZ2 3.85Å; V505-W524 HydrophobicContact CG1-CB 3.82Å; V505-W524 HydrophobicContact CG1-CD2 4.39Å; V505-W524 HydrophobicContact CG1-CE3 4.08Å; V505-W524 HydrophobicContact CG1-CG 4.32Å; V505-W524 PolarHBondContact O-N 2.83Å; L506-W524 HydrophobicContact CD2-CB 4.12Å; L506-W524 HydrophobicContact CD2-CG 4.4Å; S522-W524 PolarHBondContact O-N 3.21Å; W524-G526 VanDerWaalsContact C-N 3.31Å; W524-G526 PolarHBondContact O-N 2.88Å; W524-M527 WeakPolarHBondContact O-CB 3.28Å; W524-M527 PolarHBondContact O-N 2.84Å; W524-L528 WeakPolarHBondContact O-CG 3.5Å; W524-L528 PolarHBondContact O-N 3.43Å
525R83.1Confident76.3Confident42 Ų4246.3 Ų46.316%0.15824%0.239CC..Hα-helixtrans-61.8-42.8176.4176.557.5-171.5-177.5-1.3111.4F521 S522 V523 M527 L528 E529F521-R525 HydrophobicContact CB-CB 4.5Å; F521-R525 HydrophobicContact CB-CG 4.27Å; S522-R525 WeakPolarHBondContact O-CA 3.39Å; S522-R525 WeakPolarHBondContact O-CB 3.44Å; S522-R525 PolarHBondContact O-N 2.81Å; S522-R525 WeakPolarHBondContact OG-CB 3.48Å; S522-R525 PolarHBondContact OG-N 2.77Å; S522-R525 VanDerWaalsContact OG-N 3.13Å; V523-R525 PolarHBondContact O-N 2.87Å; R525-M527 VanDerWaalsContact C-N 3.34Å; R525-M527 PolarHBondContact O-N 2.99Å; R525-L528 PolarHBondContact O-N 2.96Å; R525-E529 IonicContact CZ-OE1 2.63Å; R525-E529 VanDerWaalsContact CZ-OE1 3.25Å; R525-E529 IonicContact NE-OE1 3.23Å; R525-E529 PolarHBondContact NE-OE1 3.01Å; R525-E529 IonicContact NH2-OE1 2.79Å; R525-E529 PolarHBondContact NH2-OE1 3.44Å; R525-E529 PolarHBondContact O-N 3Å; R525-E529 VanDerWaalsContact O-N 3.08Å
526G83.5Confident78.1Confident0 Ų040.3 Ų40.30%021%0.207CC..Hα-helixtrans-59.3-44.317500000112.1S522 V523 W524 L528 E529 L530 F576 G580S522-G526 PolarHBondContact O-N 3.05Å; V523-G526 PolarHBondContact O-N 3.31Å; W524-G526 VanDerWaalsContact C-N 3.31Å; W524-G526 PolarHBondContact O-N 2.88Å; G526-L528 VanDerWaalsContact C-N 3.34Å; G526-L528 PolarHBondContact O-N 2.8Å; G526-E529 PolarHBondContact O-N 3.25Å; G526-L530 WeakPolarHBondContact O-CB 3.31Å; G526-L530 PolarHBondContact O-N 3.2Å; G526-F576 VanDerWaalsContact CA-CE1 3.5Å; G526-G580 WeakPolarHBondContact O-CA 3.43Å
527M87.2Confident80.4Confident1 Ų140 Ų401%0.00520%0.2CC..Hα-helixtrans-56.4-47.1174.6177.963.110800111.7F453 F457 V523 W524 R525 E529 L530 L531F453-M527 HydrophobicContact CD1-CE 3.34Å; F453-M527 HydrophobicContact CD2-CE 3.9Å; F453-M527 HydrophobicContact CE1-CE 3.09Å; F453-M527 HydrophobicContact CE1-SD 4.21Å; F453-M527 HydrophobicContact CE2-CB 4.17Å; F453-M527 HydrophobicContact CE2-CE 3.66Å; F453-M527 HydrophobicContact CE2-CG 4.33Å; F453-M527 HydrophobicContact CG-CE 3.77Å; F453-M527 HydrophobicContact CZ-CB 3.97Å; F453-M527 HydrophobicContact CZ-CE 3.27Å; F453-M527 HydrophobicContact CZ-CG 4.21Å; F453-M527 HydrophobicContact CZ-SD 4.09Å; F457-M527 HydrophobicContact CB-CE 3.62Å; F457-M527 HydrophobicContact CB-SD 4.23Å; F457-M527 HydrophobicContact CD2-CE 4.38Å; F457-M527 HydrophobicContact CD2-SD 3.93Å; F457-M527 HydrophobicContact CG-CE 4.43Å; V523-M527 PolarHBondContact O-N 2.95Å; W524-M527 WeakPolarHBondContact O-CB 3.28Å; W524-M527 PolarHBondContact O-N 2.84Å; R525-M527 VanDerWaalsContact C-N 3.34Å; R525-M527 PolarHBondContact O-N 2.99Å; M527-E529 VanDerWaalsContact C-N 3.33Å; M527-E529 PolarHBondContact O-N 3.37Å; M527-L530 WeakPolarHBondContact O-CB 3.5Å; M527-L530 PolarHBondContact O-N 3.3Å; M527-L530 HydrophobicContact SD-CD2 4.47Å; M527-L531 HydrophobicContact CG-CD1 4.3Å; M527-L531 HydrophobicContact CG-CG 4.47Å; M527-L531 WeakPolarHBondContact O-CG 3.41Å; M527-L531 PolarHBondContact O-N 3.06Å; M527-L531 HydrophobicContact SD-CG 4.37Å
528L87.3Confident82.3Confident27 Ų2744.2 Ų44.214%0.14121%0.207CC..Hα-helixtrans-63.9-37.8-179.6-64.8177.1000112.8W524 R525 G526 L531 Q532W524-L528 WeakPolarHBondContact O-CG 3.5Å; W524-L528 PolarHBondContact O-N 3.43Å; R525-L528 PolarHBondContact O-N 2.96Å; G526-L528 VanDerWaalsContact C-N 3.34Å; G526-L528 PolarHBondContact O-N 2.8Å; L528-L531 HydrophobicContact CD2-CD1 4.43Å; L528-L531 PolarHBondContact O-N 3.04Å; L528-Q532 WeakPolarHBondContact O-CG 3.34Å; L528-Q532 PolarHBondContact O-N 3.03Å; L528-Q532 VanDerWaalsContact O-N 3.12Å
529E85.8Confident83.9Confident41 Ų4140.5 Ų40.519%0.19219%0.188CC..Hα-helixtrans-66.9-40.3175.1-72.3170.8176.500111.6R525 G526 M527 Q532 I533 G579 G580R525-E529 IonicContact CZ-OE1 2.63Å; R525-E529 VanDerWaalsContact CZ-OE1 3.25Å; R525-E529 IonicContact NE-OE1 3.23Å; R525-E529 PolarHBondContact NE-OE1 3.01Å; R525-E529 IonicContact NH2-OE1 2.79Å; R525-E529 PolarHBondContact NH2-OE1 3.44Å; R525-E529 PolarHBondContact O-N 3Å; R525-E529 VanDerWaalsContact O-N 3.08Å; G526-E529 PolarHBondContact O-N 3.25Å; M527-E529 VanDerWaalsContact C-N 3.33Å; M527-E529 PolarHBondContact O-N 3.37Å; E529-Q532 WeakPolarHBondContact O-CB 3.39Å; E529-Q532 PolarHBondContact O-N 2.78Å; E529-I533 PolarHBondContact O-N 3.32Å; E529-I533 VanDerWaalsContact O-N 3.15Å; E529-G579 WeakPolarHBondContact OE2-CA 3.45Å; E529-G580 PolarHBondContact OE2-N 3.45Å
530L89.4Confident85.1Confident1 Ų139 Ų391%0.00518%0.178CC..Hα-helixtrans-59.8-47.4173.2-174.473.7000111.1F457 G526 M527 Q532 I533 F534 F553 L574F457-L530 HydrophobicContact CD2-CD2 3.89Å; F457-L530 HydrophobicContact CE2-CD2 3.43Å; F457-L530 VanDerWaalsContact CE2-CD2 3.43Å; F457-L530 HydrophobicContact CE2-CG 4.08Å; F457-L530 HydrophobicContact CZ-CD2 4.33Å; G526-L530 WeakPolarHBondContact O-CB 3.31Å; G526-L530 PolarHBondContact O-N 3.2Å; M527-L530 WeakPolarHBondContact O-CB 3.5Å; M527-L530 PolarHBondContact O-N 3.3Å; M527-L530 HydrophobicContact SD-CD2 4.47Å; L530-Q532 VanDerWaalsContact C-N 3.27Å; L530-Q532 PolarHBondContact O-N 3.44Å; L530-I533 WeakPolarHBondContact O-CA 3.49Å; L530-I533 WeakPolarHBondContact O-CB 3.2Å; L530-I533 PolarHBondContact O-N 3.27Å; L530-F534 HydrophobicContact CD1-CD2 4.29Å; L530-F534 HydrophobicContact CD1-CE2 3.88Å; L530-F534 HydrophobicContact CG-CD2 4.14Å; L530-F534 HydrophobicContact CG-CE2 4.02Å; L530-F534 WeakPolarHBondContact O-CD2 3.4Å; L530-F534 PolarHBondContact O-N 3.43Å; L530-F553 HydrophobicContact CD2-CZ 4.15Å; L530-L574 HydrophobicContact CD1-CD1 4.01Å; L530-L574 HydrophobicContact CD1-CD2 3.62Å; L530-L574 HydrophobicContact CD1-CG 4.29Å; L530-L574 HydrophobicContact CD2-CD1 3.96Å
531L89.3Confident86.3Confident10 Ų1031.9 Ų31.95%0.05215%0.151CC..Hα-helixtrans-58.5-39.2177.4-68.9176.9000112.1F457 N460 A461 M527 L528 I533 F534 H535F457-L531 HydrophobicContact CD2-CD2 4.09Å; N460-L531 HydrophobicContact CB-CD1 3.8Å; N460-L531 HydrophobicContact CB-CD2 3.9Å; N460-L531 HydrophobicContact CB-CG 4.47Å; A461-L531 HydrophobicContact CB-CD2 3.8Å; M527-L531 HydrophobicContact CG-CD1 4.3Å; M527-L531 HydrophobicContact CG-CG 4.47Å; M527-L531 WeakPolarHBondContact O-CG 3.41Å; M527-L531 PolarHBondContact O-N 3.06Å; M527-L531 HydrophobicContact SD-CG 4.37Å; L528-L531 HydrophobicContact CD2-CD1 4.43Å; L528-L531 PolarHBondContact O-N 3.04Å; L531-I533 VanDerWaalsContact C-N 3.3Å; L531-I533 PolarHBondContact O-N 3.19Å; L531-F534 PolarHBondContact O-N 2.83Å; L531-F534 VanDerWaalsContact O-N 3.13Å; L531-H535 VanDerWaalsContact O-CG 3.31Å; L531-H535 PolarHBondContact O-N 3.34Å; L531-H535 PolarHBondContact O-ND1 3.45Å
532Q88.3Confident87.2Confident88 Ų8835.7 Ų35.741%0.41117%0.165SC..Hα-helixtrans-62.9-36.7175.3-70.4175.5-1.800112.7L528 E529 L530 H535 D536 L608L528-Q532 WeakPolarHBondContact O-CG 3.34Å; L528-Q532 PolarHBondContact O-N 3.03Å; L528-Q532 VanDerWaalsContact O-N 3.12Å; E529-Q532 WeakPolarHBondContact O-CB 3.39Å; E529-Q532 PolarHBondContact O-N 2.78Å; L530-Q532 VanDerWaalsContact C-N 3.27Å; L530-Q532 PolarHBondContact O-N 3.44Å; Q532-H535 PolarHBondContact O-N 3.18Å; Q532-D536 PolarHBondContact O-N 3.05Å; Q532-L608 HydrophobicContact CB-CD2 3.99Å
533I90.5Very high87.8Confident1 Ų139.2 Ų39.21%0.00518%0.18CC..Hα-helixtrans-64-44.6172.7-65.2172.7000109.8E529 L530 L531 H535 D536 N539 V541 G580 I582 L608 L611E529-I533 PolarHBondContact O-N 3.32Å; E529-I533 VanDerWaalsContact O-N 3.15Å; L530-I533 WeakPolarHBondContact O-CA 3.49Å; L530-I533 WeakPolarHBondContact O-CB 3.2Å; L530-I533 PolarHBondContact O-N 3.27Å; L531-I533 VanDerWaalsContact C-N 3.3Å; L531-I533 PolarHBondContact O-N 3.19Å; I533-H535 VanDerWaalsContact C-N 3.28Å; I533-H535 PolarHBondContact O-N 3.45Å; I533-D536 PolarHBondContact O-N 2.93Å; I533-N539 PolarHBondContact O-ND2 3.18Å; I533-V541 HydrophobicContact CG2-CB 4.02Å; I533-V541 HydrophobicContact CG2-CG1 3.9Å; I533-V541 HydrophobicContact CG2-CG2 3.66Å; I533-G580 VanDerWaalsContact CD1-O 3.31Å; I533-G580 WeakPolarHBondContact CD1-O 3.12Å; I533-I582 HydrophobicContact CG2-CD1 4.12Å; I533-L608 HydrophobicContact CG1-CB 4.09Å; I533-L608 HydrophobicContact CG1-CD1 4.23Å; I533-L611 HydrophobicContact CD1-CD1 4.21Å; I533-L611 HydrophobicContact CG1-CD1 4.34Å; I533-L611 HydrophobicContact CG2-CD1 3.68Å
534F91.6Very high88.2Confident4 Ų439.2 Ų39.22%0.01818%0.179CC..Hα-helixtrans-66.7-27.3179.4-85.3-107000113.8F457 A461 V463 L530 L531 V541 R542 W545 L550 L574F457-F534 HydrophobicContact CE2-CD2 4.32Å; F457-F534 HydrophobicContact CE2-CE2 4.11Å; F457-F534 HydrophobicContact CE2-CZ 4.22Å; F457-F534 HydrophobicContact CZ-CD1 4.38Å; F457-F534 AromaticContact CZ-CE1 3.86Å; F457-F534 HydrophobicContact CZ-CE1 3.86Å; F457-F534 AromaticContact CZ-CE2 4Å; F457-F534 HydrophobicContact CZ-CE2 4Å; F457-F534 AromaticContact CZ-CZ 3.65Å; F457-F534 HydrophobicContact CZ-CZ 3.65Å; A461-F534 HydrophobicContact CB-CB 3.91Å; A461-F534 HydrophobicContact CB-CD1 3.87Å; A461-F534 HydrophobicContact CB-CG 3.99Å; V463-F534 HydrophobicContact CG1-CD1 3.9Å; V463-F534 HydrophobicContact CG1-CE1 4.01Å; L530-F534 HydrophobicContact CD1-CD2 4.29Å; L530-F534 HydrophobicContact CD1-CE2 3.88Å; L530-F534 HydrophobicContact CG-CD2 4.14Å; L530-F534 HydrophobicContact CG-CE2 4.02Å; L530-F534 WeakPolarHBondContact O-CD2 3.4Å; L530-F534 PolarHBondContact O-N 3.43Å; L531-F534 PolarHBondContact O-N 2.83Å; L531-F534 VanDerWaalsContact O-N 3.13Å; F534-V541 HydrophobicContact CD2-CG1 4.03Å; F534-V541 HydrophobicContact CE1-CG1 4.43Å; F534-V541 HydrophobicContact CE2-CG1 3.78Å; F534-V541 HydrophobicContact CG-CG1 4.47Å; F534-V541 HydrophobicContact CZ-CG1 4Å; F534-R542 HydrophobicContact CD1-CB 4.25Å; F534-W545 HydrophobicContact CE1-CB 3.67Å; F534-W545 AromaticContact CE1-CD1 3.86Å; F534-W545 HydrophobicContact CE1-CD2 4.03Å; F534-W545 AromaticContact CE1-CG 3.56Å; F534-W545 HydrophobicContact CE1-CG 3.56Å; F534-W545 HydrophobicContact CZ-CB 3.97Å; F534-W545 AromaticContact CZ-CD2 3.85Å; F534-W545 HydrophobicContact CZ-CD2 3.85Å; F534-W545 HydrophobicContact CZ-CE3 4.04Å; F534-W545 AromaticContact CZ-CG 3.82Å; F534-W545 HydrophobicContact CZ-CG 3.82Å; F534-L550 HydrophobicContact CZ-CD2 4.49Å; F534-L574 HydrophobicContact CE2-CD2 4.39Å
535H88.6Confident88.6Confident112 Ų11239.2 Ų39.252%0.51918%0.179SC..Hα-helixtrans-75.6-26.4177.6-69.8158.6000114.8N460 L531 Q532 I533 T537N460-H535 PolarHBondContact O-NE2 3.21Å; L531-H535 VanDerWaalsContact O-CG 3.31Å; L531-H535 PolarHBondContact O-N 3.34Å; L531-H535 PolarHBondContact O-ND1 3.45Å; Q532-H535 PolarHBondContact O-N 3.18Å; I533-H535 VanDerWaalsContact C-N 3.28Å; I533-H535 PolarHBondContact O-N 3.45Å; H535-T537 PolarHBondContact O-N 3.3Å; H535-T537 VanDerWaalsContact O-N 3.08Å
536D87.1Confident89.1Confident20 Ų2040.6 Ų40.611%0.10719%0.188CC..  trans-79.594179.6-165.3-21.1000110.6Q532 I533 R538 N539 L608 Q612Q532-D536 PolarHBondContact O-N 3.05Å; I533-D536 PolarHBondContact O-N 2.93Å; D536-R538 PolarHBondContact O-N 2.97Å; D536-R538 WeakPolarHBondContact OD1-CB 3.3Å; D536-R538 IonicContact OD1-CZ 2.75Å; D536-R538 PolarHBondContact OD1-N 2.91Å; D536-R538 IonicContact OD1-NE 3.22Å; D536-R538 PolarHBondContact OD1-NE 2.87Å; D536-R538 IonicContact OD1-NH2 2.8Å; D536-R538 IonicContact OD2-CZ 3.07Å; D536-R538 IonicContact OD2-NE 2.77Å; D536-R538 IonicContact OD2-NH2 3.35Å; D536-R538 PolarHBondContact OD2-NH2 3.02Å; D536-N539 PolarHBondContact O-N 2.66Å; D536-N539 VanDerWaalsContact O-N 3.08Å; D536-N539 PolarHBondContact O-ND2 3.3Å; D536-N539 PolarHBondContact O-OD1 2.92Å; D536-L608 HydrophobicContact CB-CD1 4.36Å; D536-Q612 WeakPolarHBondContact OD2-CG 3.47Å
537T85.4Confident89.4Confident119 Ų11944.2 Ų44.273%0.7321%0.206SC*.G310 helixtrans-56.1-24.2-178.155.30000113.8H535 N539H535-T537 PolarHBondContact O-N 3.3Å; H535-T537 VanDerWaalsContact O-N 3.08Å; T537-N539 VanDerWaalsContact C-N 3.26Å; T537-N539 PolarHBondContact O-N 3.33Å
538R86.6Confident89.6Confident166 Ų16644.7 Ų44.763%0.62621%0.21SC*.G310 helixtrans-69.8-23.3-178.9-59.1175-64.51705.2112.8D536 N540 C615D536-R538 PolarHBondContact O-N 2.97Å; D536-R538 WeakPolarHBondContact OD1-CB 3.3Å; D536-R538 IonicContact OD1-CZ 2.75Å; D536-R538 PolarHBondContact OD1-N 2.91Å; D536-R538 IonicContact OD1-NE 3.22Å; D536-R538 PolarHBondContact OD1-NE 2.87Å; D536-R538 IonicContact OD1-NH2 2.8Å; D536-R538 IonicContact OD2-CZ 3.07Å; D536-R538 IonicContact OD2-NE 2.77Å; D536-R538 IonicContact OD2-NH2 3.35Å; D536-R538 PolarHBondContact OD2-NH2 3.02Å; R538-N540 PolarHBondContact O-ND2 3.3Å; R538-C615 WeakPolarHBondContact O-CB 3.35Å
539N86.9Confident89.8Confident1 Ų144 Ų441%0.00521%0.206CC..G310 helixtrans-84.2-9.8-173.87121.7000114.3I533 D536 T537 V541 L611 L616I533-N539 PolarHBondContact O-ND2 3.18Å; D536-N539 PolarHBondContact O-N 2.66Å; D536-N539 VanDerWaalsContact O-N 3.08Å; D536-N539 PolarHBondContact O-ND2 3.3Å; D536-N539 PolarHBondContact O-OD1 2.92Å; T537-N539 VanDerWaalsContact C-N 3.26Å; T537-N539 PolarHBondContact O-N 3.33Å; N539-V541 HydrophobicContact CB-CG2 4.21Å; N539-V541 VanDerWaalsContact CG-CG2 3.49Å; N539-V541 PolarHBondContact O-N 3.04Å; N539-V541 VanDerWaalsContact OD1-CB 3.25Å; N539-V541 WeakPolarHBondContact OD1-CB 3.47Å; N539-V541 VanDerWaalsContact OD1-CG2 3.23Å; N539-V541 WeakPolarHBondContact OD1-CG2 3.47Å; N539-V541 PolarHBondContact OD1-N 3.45Å; N539-L611 HydrophobicContact CB-CB 4.17Å; N539-L616 VanDerWaalsContact O-CB 3.24Å; N539-L616 WeakPolarHBondContact O-CB 3.39Å; N539-L616 PolarHBondContact O-N 3.34Å
540N89.1Confident90.1Very high16 Ų1642 Ų429%0.08620%0.197CC..  trans64.28.4-177.6-61.3-78.4000116.5R538 K543 L544R538-N540 PolarHBondContact O-ND2 3.3Å; N540-K543 PolarHBondContact O-N 2.92Å; N540-L544 PolarHBondContact O-N 3.3Å; N540-L544 VanDerWaalsContact O-N 3.09Å
541V91.6Very high90.2Very high0 Ų042.4 Ų42.40%020%0.199CC..Hα-helixtrans-63.4-49.2-175.9172.20000111.6I533 F534 N539 K543 L544 W545 L550 I582 L611 L616I533-V541 HydrophobicContact CG2-CB 4.02Å; I533-V541 HydrophobicContact CG2-CG1 3.9Å; I533-V541 HydrophobicContact CG2-CG2 3.66Å; F534-V541 HydrophobicContact CD2-CG1 4.03Å; F534-V541 HydrophobicContact CE1-CG1 4.43Å; F534-V541 HydrophobicContact CE2-CG1 3.78Å; F534-V541 HydrophobicContact CG-CG1 4.47Å; F534-V541 HydrophobicContact CZ-CG1 4Å; N539-V541 HydrophobicContact CB-CG2 4.21Å; N539-V541 VanDerWaalsContact CG-CG2 3.49Å; N539-V541 PolarHBondContact O-N 3.04Å; N539-V541 VanDerWaalsContact OD1-CB 3.25Å; N539-V541 WeakPolarHBondContact OD1-CB 3.47Å; N539-V541 VanDerWaalsContact OD1-CG2 3.23Å; N539-V541 WeakPolarHBondContact OD1-CG2 3.47Å; N539-V541 PolarHBondContact OD1-N 3.45Å; V541-K543 VanDerWaalsContact C-N 3.3Å; V541-K543 PolarHBondContact O-N 3.42Å; V541-L544 PolarHBondContact O-N 3.2Å; V541-W545 WeakPolarHBondContact O-CB 3.41Å; V541-W545 PolarHBondContact O-N 3.08Å; V541-L550 HydrophobicContact CG1-CD2 3.72Å; V541-I582 HydrophobicContact CB-CD1 4.23Å; V541-I582 HydrophobicContact CG1-CD1 3.72Å; V541-I582 HydrophobicContact CG2-CD1 3.42Å; V541-I582 VanDerWaalsContact CG2-CD1 3.42Å; V541-L611 HydrophobicContact CG2-CD1 4.28Å; V541-L616 HydrophobicContact CG2-CB 4.16Å; V541-L616 HydrophobicContact CG2-CD2 3.85Å
542R92.5Very high90.1Very high93 Ų9342.1 Ų42.135%0.35120%0.199SC..Hα-helixtrans-56.5-43178.6-178.6178.1168.9-167.8-2.5112.1D462 V463 F534 W545 E546D462-R542 PolarHBondContact O-NE 3.34Å; D462-R542 PolarHBondContact O-NH2 3.12Å; D462-R542 IonicContact OD1-NH2 3.82Å; D462-R542 PolarHBondContact OD1-NH2 2.92Å; D462-R542 IonicContact OD2-CZ 3.62Å; D462-R542 IonicContact OD2-NH1 2.72Å; D462-R542 PolarHBondContact OD2-NH1 2.92Å; D462-R542 IonicContact OD2-NH2 2.75Å; D462-R542 PolarHBondContact OD2-NH2 2.95Å; V463-R542 HydrophobicContact CG1-CG 3.96Å; F534-R542 HydrophobicContact CD1-CB 4.25Å; R542-W545 WeakPolarHBondContact O-CB 3.48Å; R542-W545 PolarHBondContact O-N 3.02Å; R542-E546 WeakPolarHBondContact O-CG 3.44Å; R542-E546 PolarHBondContact O-N 3.42Å; R542-E546 VanDerWaalsContact O-N 3.11Å
543K91.3Very high89.9Confident81 Ų8138.2 Ų38.235%0.35218%0.18SC..Hα-helixtrans-65.2-46.1179.1-171.4175.4178.2-174.40111.5N540 V541 W545 E546 M547 L649N540-K543 PolarHBondContact O-N 2.92Å; V541-K543 VanDerWaalsContact C-N 3.3Å; V541-K543 PolarHBondContact O-N 3.42Å; K543-W545 VanDerWaalsContact C-N 3.3Å; K543-W545 PolarHBondContact O-N 3.15Å; K543-E546 PolarHBondContact O-N 3.22Å; K543-M547 HydrophobicContact CG-SD 4Å; K543-M547 WeakPolarHBondContact O-CB 3.36Å; K543-M547 VanDerWaalsContact O-CG 3.26Å; K543-M547 WeakPolarHBondContact O-CG 3.3Å; K543-M547 PolarHBondContact O-N 3.45Å; K543-L649 HydrophobicContact CD-CD2 3.73Å; K543-L649 HydrophobicContact CG-CD2 4.15Å
544L91.6Very high89.5Confident0 Ų039 Ų390%018%0.184CC..Hα-helixtrans-65.4-31.9177.4-75.3167.6000112.9N540 V541 G548 F549 L550 M572 L616 L645 L649N540-L544 PolarHBondContact O-N 3.3Å; N540-L544 VanDerWaalsContact O-N 3.09Å; V541-L544 PolarHBondContact O-N 3.2Å; L544-G548 PolarHBondContact O-N 2.98Å; L544-F549 HydrophobicContact CD2-CB 3.92Å; L544-F549 HydrophobicContact CD2-CD2 4.14Å; L544-F549 HydrophobicContact CD2-CG 4.29Å; L544-F549 PolarHBondContact O-N 3.2Å; L544-L550 PolarHBondContact O-N 3.47Å; L544-M572 HydrophobicContact CD1-CE 4.24Å; L544-M572 HydrophobicContact CD2-CE 4.27Å; L544-L616 HydrophobicContact CD1-CB 4.16Å; L544-L616 HydrophobicContact CD1-CD2 3.55Å; L544-L616 HydrophobicContact CD1-CG 3.81Å; L544-L645 HydrophobicContact CD2-CD1 4.25Å; L544-L645 HydrophobicContact CD2-CD2 4.4Å; L544-L649 HydrophobicContact CD2-CD1 3.74Å; L544-L649 HydrophobicContact CD2-CD2 4.48Å; L544-L649 HydrophobicContact CG-CD1 4.41Å
545W94.2Very high88.7Confident0 Ų042.2 Ų42.20%020%0.199CC..Hα-helixtrans-64.4-50.6172.5177.7-97.3000112.2F457 R465 L467 F534 V541 R542 K543 M547 G548 L550 L574F457-W545 AromaticContact CE1-CE2 3.92Å; F457-W545 AromaticContact CE1-CZ2 3.78Å; F457-W545 HydrophobicContact CE1-CZ2 3.78Å; F457-W545 HydrophobicContact CZ-CZ2 4.25Å; R465-W545 WeakPolarHBondContact CD-O 3.39Å; R465-W545 HydrophobicContact CG-CZ2 4.39Å; R465-W545 PolarHBondContact NH1-O 3.06Å; R465-W545 PolarHBondContact O-NE1 3.35Å; L467-W545 HydrophobicContact CD2-CH2 3.87Å; L467-W545 HydrophobicContact CD2-CZ2 4.25Å; F534-W545 HydrophobicContact CE1-CB 3.67Å; F534-W545 AromaticContact CE1-CD1 3.86Å; F534-W545 HydrophobicContact CE1-CD2 4.03Å; F534-W545 AromaticContact CE1-CG 3.56Å; F534-W545 HydrophobicContact CE1-CG 3.56Å; F534-W545 HydrophobicContact CZ-CB 3.97Å; F534-W545 AromaticContact CZ-CD2 3.85Å; F534-W545 HydrophobicContact CZ-CD2 3.85Å; F534-W545 HydrophobicContact CZ-CE3 4.04Å; F534-W545 AromaticContact CZ-CG 3.82Å; F534-W545 HydrophobicContact CZ-CG 3.82Å; V541-W545 WeakPolarHBondContact O-CB 3.41Å; V541-W545 PolarHBondContact O-N 3.08Å; R542-W545 WeakPolarHBondContact O-CB 3.48Å; R542-W545 PolarHBondContact O-N 3.02Å; K543-W545 VanDerWaalsContact C-N 3.3Å; K543-W545 PolarHBondContact O-N 3.15Å; W545-M547 VanDerWaalsContact C-N 3.29Å; W545-M547 PolarHBondContact O-N 3.29Å; W545-G548 PolarHBondContact O-N 2.84Å; W545-G548 VanDerWaalsContact O-N 3.07Å; W545-L550 HydrophobicContact CE3-CB 4.22Å; W545-L550 HydrophobicContact CE3-CD2 4.12Å; W545-L550 HydrophobicContact CE3-CG 4.02Å; W545-L574 HydrophobicContact CE3-CD1 4.33Å; W545-L574 HydrophobicContact CH2-CD1 4.05Å; W545-L574 HydrophobicContact CZ3-CD1 3.62Å; W545-L574 HydrophobicContact CZ3-CG 4.04Å
546E92.8Very high88.1Confident72 Ų7240.1 Ų40.134%0.33619%0.189SC..Hα-helixtrans-64.2-34.7179.5-66.9-69.5-175.300112.6V463 Q464 R465 R542 K543 G548V463-E546 WeakPolarHBondContact CA-OE1 3.47Å; V463-E546 WeakPolarHBondContact CB-OE1 3.49Å; Q464-E546 PolarHBondContact N-OE1 3.44Å; R465-E546 PolarHBondContact N-OE2 3.08Å; R542-E546 WeakPolarHBondContact O-CG 3.44Å; R542-E546 PolarHBondContact O-N 3.42Å; R542-E546 VanDerWaalsContact O-N 3.11Å; K543-E546 PolarHBondContact O-N 3.22Å; E546-G548 PolarHBondContact O-N 3.47Å
547M90.7Very high87.7Confident76 Ų7643.7 Ų43.737%0.37421%0.205SC..THydrogen-bonded Turntrans-75.8-5.8176.1-67.3175.280.500113.6K543 W545 F549 L645 L649K543-M547 HydrophobicContact CG-SD 4Å; K543-M547 WeakPolarHBondContact O-CB 3.36Å; K543-M547 VanDerWaalsContact O-CG 3.26Å; K543-M547 WeakPolarHBondContact O-CG 3.3Å; K543-M547 PolarHBondContact O-N 3.45Å; W545-M547 VanDerWaalsContact C-N 3.29Å; W545-M547 PolarHBondContact O-N 3.29Å; M547-F549 HydrophobicContact CB-CD2 3.47Å; M547-F549 VanDerWaalsContact CB-CD2 3.47Å; M547-F549 HydrophobicContact CB-CE2 3.66Å; M547-F549 HydrophobicContact CE-CD2 4.36Å; M547-F549 HydrophobicContact CE-CE2 3.7Å; M547-F549 HydrophobicContact SD-CD2 4.46Å; M547-F549 HydrophobicContact SD-CE2 4.36Å; M547-L645 HydrophobicContact CE-CD1 4.26Å; M547-L649 HydrophobicContact SD-CD2 3.91Å
548G90.9Very high87.6Confident10 Ų1041.9 Ų41.910%0.10319%0.188CC..THydrogen-bonded Turntrans80.89.9178.100000115.5L544 W545 E546 A635L544-G548 PolarHBondContact O-N 2.98Å; W545-G548 PolarHBondContact O-N 2.84Å; W545-G548 VanDerWaalsContact O-N 3.07Å; E546-G548 PolarHBondContact O-N 3.47Å; G548-A635 WeakPolarHBondContact O-CB 3.32Å; G548-A635 PolarHBondContact O-N 3.22Å
549F91.8Very high87.4Confident13 Ų1334 Ų346%0.05716%0.158CC..  trans-83.6-25178.6-68.4-71.9000113.6L544 M547 M572 I632 T634 I640 L645L544-F549 HydrophobicContact CD2-CB 3.92Å; L544-F549 HydrophobicContact CD2-CD2 4.14Å; L544-F549 HydrophobicContact CD2-CG 4.29Å; L544-F549 PolarHBondContact O-N 3.2Å; M547-F549 HydrophobicContact CB-CD2 3.47Å; M547-F549 VanDerWaalsContact CB-CD2 3.47Å; M547-F549 HydrophobicContact CB-CE2 3.66Å; M547-F549 HydrophobicContact CE-CD2 4.36Å; M547-F549 HydrophobicContact CE-CE2 3.7Å; M547-F549 HydrophobicContact SD-CD2 4.46Å; M547-F549 HydrophobicContact SD-CE2 4.36Å; F549-M572 HydrophobicContact CB-CE 3.93Å; F549-M572 WeakPolarHBondContact O-CE 3.33Å; F549-I632 HydrophobicContact CB-CD1 4.29Å; F549-I632 HydrophobicContact CD1-CD1 4.16Å; F549-I632 HydrophobicContact CD1-CG2 3.88Å; F549-I632 HydrophobicContact CE1-CG2 3.98Å; F549-T634 HydrophobicContact CD1-CG2 3.75Å; F549-T634 HydrophobicContact CE1-CG2 3.65Å; F549-T634 HydrophobicContact CZ-CG2 4.47Å; F549-I640 HydrophobicContact CE1-CB 4.06Å; F549-I640 HydrophobicContact CE1-CD1 3.65Å; F549-I640 HydrophobicContact CE1-CG1 4.33Å; F549-I640 HydrophobicContact CE1-CG2 4.08Å; F549-I640 HydrophobicContact CZ-CD1 3.76Å; F549-I640 HydrophobicContact CZ-CG2 4.35Å; F549-L645 HydrophobicContact CB-CD2 4.49Å; F549-L645 HydrophobicContact CD1-CD1 4.27Å; F549-L645 HydrophobicContact CD1-CD2 3.65Å; F549-L645 HydrophobicContact CD2-CD1 3.55Å; F549-L645 HydrophobicContact CD2-CD2 4.23Å; F549-L645 HydrophobicContact CE1-CD1 4.01Å; F549-L645 HydrophobicContact CE1-CD2 3.84Å; F549-L645 HydrophobicContact CE1-CG 4.35Å; F549-L645 HydrophobicContact CE2-CD1 3.28Å; F549-L645 HydrophobicContact CE2-CD2 4.43Å; F549-L645 HydrophobicContact CE2-CG 4.41Å; F549-L645 HydrophobicContact CG-CD1 4.06Å; F549-L645 HydrophobicContact CG-CD2 3.86Å; F549-L645 HydrophobicContact CZ-CD1 3.54Å; F549-L645 HydrophobicContact CZ-CD2 4.26Å; F549-L645 HydrophobicContact CZ-CG 4.31Å
550L92.1Very high87.2Confident0 Ų036.2 Ų36.20%017%0.17CC..EExtended strand (participates in β ladder)trans-95.6114172.3-177.160.7000109R465 F534 V541 L544 W545 M572 L574 I582R465-L550 PolarHBondContact NH1-O 3.29Å; R465-L550 PolarHBondContact NH2-O 3.4Å; F534-L550 HydrophobicContact CZ-CD2 4.49Å; V541-L550 HydrophobicContact CG1-CD2 3.72Å; L544-L550 PolarHBondContact O-N 3.47Å; W545-L550 HydrophobicContact CE3-CB 4.22Å; W545-L550 HydrophobicContact CE3-CD2 4.12Å; W545-L550 HydrophobicContact CE3-CG 4.02Å; L550-M572 HydrophobicContact CD1-CB 3.81Å; L550-L574 HydrophobicContact CD1-CD2 4.27Å; L550-L574 HydrophobicContact CD2-CD2 3.76Å; L550-L574 HydrophobicContact CG-CD2 4.08Å; L550-I582 HydrophobicContact CD1-CG2 3.89Å; L550-I582 HydrophobicContact CD2-CD1 4.11Å
551M90.6Very high87Confident8 Ų839.9 Ų39.94%0.03919%0.19CC..EExtended strand (participates in β ladder)trans-74159.9174.5-63.7-174.8164.100110.9M554 M562 I571 M572 R573 L574 L633 T634 A635M551-M554 HydrophobicContact CB-SD 3.75Å; M551-M554 HydrophobicContact CG-SD 4.18Å; M551-M554 HydrophobicContact SD-CE 4.03Å; M551-M554 HydrophobicContact SD-SD 3.35Å; M551-M562 HydrophobicContact CE-CE 4.12Å; M551-I571 HydrophobicContact CE-CG1 4.42Å; M551-I571 HydrophobicContact CG-CG2 4.36Å; M551-I571 HydrophobicContact SD-CD1 4.36Å; M551-I571 HydrophobicContact SD-CG1 4.27Å; M551-I571 HydrophobicContact SD-CG2 3.54Å; M551-I571 VanDerWaalsContact SD-CG2 3.54Å; M551-M572 WeakPolarHBondContact CB-O 3.44Å; M551-M572 PolarHBondContact N-O 3.48Å; M551-R573 HydrophobicContact CB-CB 4.23Å; M551-R573 WeakPolarHBondContact O-CA 3.5Å; M551-L574 PolarHBondContact O-N 2.99Å; M551-L574 VanDerWaalsContact O-N 3.14Å; M551-L633 HydrophobicContact CE-CB 4.45Å; M551-L633 HydrophobicContact CE-CD2 4.15Å; M551-L633 HydrophobicContact CE-CG 4.09Å; M551-T634 VanDerWaalsContact CE-C 3.41Å; M551-T634 WeakPolarHBondContact CE-O 3.23Å; M551-A635 HydrophobicContact CG-CB 4.45Å
552G87.8Confident86.8Confident5 Ų541 Ų415%0.05220%0.195CC..EExtended strand (participates in β ladder)trans-73.4-142.8176.200000112.5D471 L574D471-G552 VanDerWaalsContact OD1-CA 3.24Å; D471-G552 WeakPolarHBondContact OD1-CA 3.46Å; G552-L574 PolarHBondContact O-N 2.82Å
553F84.8Confident86.5Confident6 Ų636.5 Ų36.53%0.02618%0.178CC..EExtended strand (participates in β ladder)trans-89.2121.8178.8-65-74.7000109.6L467 D471 L474 L530 L574 F576L467-F553 HydrophobicContact CD2-CD2 4.25Å; L467-F553 HydrophobicContact CD2-CE2 4.08Å; D471-F553 HydrophobicContact CB-CB 4.33Å; D471-F553 HydrophobicContact CB-CD2 4.14Å; D471-F553 PolarHBondContact OD1-N 3.12Å; L474-F553 HydrophobicContact CD2-CB 4.28Å; L530-F553 HydrophobicContact CD2-CZ 4.15Å; F553-L574 HydrophobicContact CD1-CB 3.82Å; F553-L574 HydrophobicContact CE1-CB 3.62Å; F553-L574 HydrophobicContact CE2-CB 4.42Å; F553-L574 HydrophobicContact CE2-CD1 4.22Å; F553-L574 HydrophobicContact CG-CB 4.3Å; F553-L574 HydrophobicContact CZ-CB 3.94Å; F553-L574 HydrophobicContact CZ-CD1 4.19Å; F553-F576 HydrophobicContact CD1-CD2 4.02Å; F553-F576 HydrophobicContact CD1-CE2 4.18Å; F553-F576 HydrophobicContact CE1-CD1 4.11Å; F553-F576 AromaticContact CE1-CD2 3.5Å; F553-F576 HydrophobicContact CE1-CD2 3.5Å; F553-F576 HydrophobicContact CE1-CE1 4Å; F553-F576 AromaticContact CE1-CE2 3.41Å; F553-F576 HydrophobicContact CE1-CE2 3.41Å; F553-F576 VanDerWaalsContact CE1-CE2 3.41Å; F553-F576 AromaticContact CE1-CG 3.86Å; F553-F576 HydrophobicContact CE1-CG 3.86Å; F553-F576 AromaticContact CE1-CZ 3.69Å; F553-F576 HydrophobicContact CE1-CZ 3.69Å; F553-F576 AromaticContact CE2-CE2 3.83Å; F553-F576 HydrophobicContact CE2-CE2 3.83Å; F553-F576 HydrophobicContact CE2-CZ 4.12Å; F553-F576 HydrophobicContact CZ-CD1 4.46Å; F553-F576 AromaticContact CZ-CD2 3.85Å; F553-F576 HydrophobicContact CZ-CD2 3.85Å; F553-F576 AromaticContact CZ-CE1 3.9Å; F553-F576 HydrophobicContact CZ-CE1 3.9Å; F553-F576 AromaticContact CZ-CE2 3.21Å; F553-F576 HydrophobicContact CZ-CE2 3.21Å; F553-F576 HydrophobicContact CZ-CG 4.43Å; F553-F576 AromaticContact CZ-CZ 3.26Å; F553-F576 HydrophobicContact CZ-CZ 3.26Å
554M81.2Confident86.1Confident17 Ų1739.2 Ų39.28%0.08419%0.192CC..  trans-132.5150.3-179.2-60.1171.67400111.1M551 E558 V559 M562 R573M551-M554 HydrophobicContact CB-SD 3.75Å; M551-M554 HydrophobicContact CG-SD 4.18Å; M551-M554 HydrophobicContact SD-CE 4.03Å; M551-M554 HydrophobicContact SD-SD 3.35Å; M554-E558 HydrophobicContact CE-CG 3.95Å; M554-V559 HydrophobicContact CB-CG2 3.7Å; M554-V559 HydrophobicContact CE-CG2 3.87Å; M554-V559 HydrophobicContact SD-CG2 4.1Å; M554-M562 HydrophobicContact CE-SD 3.3Å; M554-M562 WeakPolarHBondContact CE-SD 3.41Å; M554-R573 PolarHBondContact O-NH1 3.21Å
555E75.3Confident85.7Confident72 Ų7246.9 Ų46.934%0.33623%0.225SC..  trans-78.6156.9174.1-61.4-162.5160.400111.6L474 E557 E558 V559L474-E555 HydrophobicContact CD1-CG 4.43Å; E555-E557 VanDerWaalsContact C-N 3.33Å; E555-E557 PolarHBondContact O-N 3.33Å; E555-E558 HydrophobicContact CB-CB 4.5Å; E555-E558 PolarHBondContact O-N 2.85Å; E555-V559 VanDerWaalsContact O-CG2 3.23Å; E555-V559 WeakPolarHBondContact O-CG2 3.47Å; E555-V559 PolarHBondContact O-N 3.46Å; E555-V559 VanDerWaalsContact O-N 3.15Å
556F76.3Confident85.2Confident68 Ų6849.3 Ų49.330%0.29824%0.237SC..Hα-helixtrans-62-42.6-179.2-69.2-74.6000111.6E558 V559 D560 R573 V577 H602F556-E558 PolarHBondContact O-N 3.48Å; F556-V559 PolarHBondContact O-N 3.23Å; F556-D560 WeakPolarHBondContact O-CB 3.45Å; F556-D560 VanDerWaalsContact O-CG 3.26Å; F556-D560 PolarHBondContact O-N 3.25Å; F556-R573 VanDerWaalsContact CD1-NH2 3.29Å; F556-V577 HydrophobicContact CZ-CG2 4.28Å; F556-H602 AromaticContact CD1-CD2 3.66Å; F556-H602 AromaticContact CD1-CE1 3.59Å; F556-H602 AromaticContact CD1-CG 3.76Å; F556-H602 AromaticContact CD1-ND1 3.7Å; F556-H602 AromaticContact CD1-NE2 3.52Å; F556-H602 HydrophobicContact CE1-CB 4.3Å; F556-H602 AromaticContact CE1-CG 3.88Å
557E77.8Confident84.5Confident95 Ų9554 Ų5444%0.44426%0.256SS..Hα-helixtrans-64.8-40.2-179.7-63.3-179.3-176.500112.3E555 D560 N561E555-E557 VanDerWaalsContact C-N 3.33Å; E555-E557 PolarHBondContact O-N 3.33Å; E557-D560 PolarHBondContact O-N 2.92Å; E557-N561 WeakPolarHBondContact O-CB 3.45Å; E557-N561 PolarHBondContact O-N 3.45Å; E557-N561 PolarHBondContact O-ND2 3.42Å
558E82.8Confident84.3Confident80 Ų8051.5 Ų51.537%0.37425%0.246SC..Hα-helixtrans-61.6-47.1175.4-174.3-176.5-167.500111.2M554 E555 F556 D560 N561 M562M554-E558 HydrophobicContact CE-CG 3.95Å; E555-E558 HydrophobicContact CB-CB 4.5Å; E555-E558 PolarHBondContact O-N 2.85Å; F556-E558 PolarHBondContact O-N 3.48Å; E558-D560 VanDerWaalsContact C-N 3.29Å; E558-D560 PolarHBondContact O-N 3.36Å; E558-N561 PolarHBondContact O-N 3.07Å; E558-M562 WeakPolarHBondContact O-CG 3.4Å; E558-M562 PolarHBondContact O-N 3.19Å
559V82.3Confident84.2Confident0 Ų051 Ų510%024%0.241CC..Hα-helixtrans-62.5-39.6177.91760000111.1M554 E555 F556 M562 L563 I571 T585M554-V559 HydrophobicContact CB-CG2 3.7Å; M554-V559 HydrophobicContact CE-CG2 3.87Å; M554-V559 HydrophobicContact SD-CG2 4.1Å; E555-V559 VanDerWaalsContact O-CG2 3.23Å; E555-V559 WeakPolarHBondContact O-CG2 3.47Å; E555-V559 PolarHBondContact O-N 3.46Å; E555-V559 VanDerWaalsContact O-N 3.15Å; F556-V559 PolarHBondContact O-N 3.23Å; V559-M562 PolarHBondContact O-N 2.92Å; V559-L563 HydrophobicContact CG1-CD1 4.09Å; V559-L563 PolarHBondContact O-N 3.09Å; V559-I571 HydrophobicContact CG1-CB 4.45Å; V559-I571 HydrophobicContact CG1-CD1 4.05Å; V559-I571 HydrophobicContact CG1-CG2 4.46Å; V559-T585 HydrophobicContact CG1-CG2 3.77Å; V559-T585 WeakPolarHBondContact CG1-OG1 3.25Å
560D83.2Confident84.2Confident48 Ų4850.4 Ų50.426%0.25724%0.239SC..Hα-helixtrans-65.4-45.9178.6-74.7-7.9000111.5F556 E557 E558 M562 L563 E564 P600 H602F556-D560 WeakPolarHBondContact O-CB 3.45Å; F556-D560 VanDerWaalsContact O-CG 3.26Å; F556-D560 PolarHBondContact O-N 3.25Å; E557-D560 PolarHBondContact O-N 2.92Å; E558-D560 VanDerWaalsContact C-N 3.29Å; E558-D560 PolarHBondContact O-N 3.36Å; D560-M562 VanDerWaalsContact C-N 3.31Å; D560-M562 PolarHBondContact O-N 3.31Å; D560-L563 PolarHBondContact O-N 3.29Å; D560-E564 WeakPolarHBondContact O-CB 3.27Å; D560-E564 PolarHBondContact O-N 3.31Å; D560-P600 HydrophobicContact CB-CG 4.15Å; D560-P600 VanDerWaalsContact OD1-CB 3.3Å; D560-P600 WeakPolarHBondContact OD1-CB 3.29Å; D560-H602 IonicContact OD1-CE1 3.83Å; D560-H602 PolarHBondContact OD1-CE1 2.9Å; D560-H602 IonicContact OD1-NE2 2.84Å; D560-H602 PolarHBondContact OD1-NE2 2.85Å; D560-H602 IonicContact OD2-NE2 3.96Å
561N86.4Confident84.2Confident93 Ų9350.4 Ų50.450%0.49724%0.239SC..Hα-helixtrans-62.1-37.1176.8-69.9-23.9000112.3E557 E558E557-N561 WeakPolarHBondContact O-CB 3.45Å; E557-N561 PolarHBondContact O-N 3.45Å; E557-N561 PolarHBondContact O-ND2 3.42Å; E558-N561 PolarHBondContact O-N 3.07Å
562M87.3Confident84.3Confident23 Ų2350 Ų5011%0.11324%0.237CC..Hα-helixtrans-67.7-46.1175.6-71-176.588.700111.5M551 M554 E558 V559 D560 E564 H566 I571 L633 E637M551-M562 HydrophobicContact CE-CE 4.12Å; M554-M562 HydrophobicContact CE-SD 3.3Å; M554-M562 WeakPolarHBondContact CE-SD 3.41Å; E558-M562 WeakPolarHBondContact O-CG 3.4Å; E558-M562 PolarHBondContact O-N 3.19Å; V559-M562 PolarHBondContact O-N 2.92Å; D560-M562 VanDerWaalsContact C-N 3.31Å; D560-M562 PolarHBondContact O-N 3.31Å; M562-E564 VanDerWaalsContact C-N 3.31Å; M562-E564 PolarHBondContact O-N 2.85Å; M562-H566 PolarHBondContact O-CD2 2.71Å; M562-H566 VanDerWaalsContact O-CD2 3.24Å; M562-I571 HydrophobicContact CB-CD1 4.11Å; M562-L633 HydrophobicContact CB-CD2 4.17Å; M562-L633 HydrophobicContact CE-CD2 3.78Å; M562-E637 HydrophobicContact CE-CG 3.74Å
563L85.6Confident84.4Confident0 Ų050.1 Ų50.10%024%0.236CC..Hα-helixtrans-72.3-24.3178.9-72.3173.3000112.8V559 D560 K565 H566 A569 I571 T585 K587 P600V559-L563 HydrophobicContact CG1-CD1 4.09Å; V559-L563 PolarHBondContact O-N 3.09Å; D560-L563 PolarHBondContact O-N 3.29Å; L563-K565 PolarHBondContact O-N 3.18Å; L563-H566 PolarHBondContact O-N 3.29Å; L563-A569 HydrophobicContact CD2-CB 3.76Å; L563-I571 HydrophobicContact CD1-CD1 4.21Å; L563-I571 HydrophobicContact CD2-CD1 3.93Å; L563-I571 HydrophobicContact CD2-CG1 3.99Å; L563-I571 HydrophobicContact CG-CD1 3.71Å; L563-I571 HydrophobicContact CG-CG1 4.24Å; L563-T585 HydrophobicContact CD1-CG2 3.43Å; L563-T585 VanDerWaalsContact CD1-CG2 3.43Å; L563-K587 HydrophobicContact CB-CB 4.25Å; L563-K587 HydrophobicContact CB-CD 4.42Å; L563-K587 WeakPolarHBondContact O-CD 3.33Å; L563-K587 PolarHBondContact O-NZ 2.94Å; L563-P600 HydrophobicContact CB-CB 4.45Å; L563-P600 HydrophobicContact CB-CG 4.06Å; L563-P600 HydrophobicContact CD1-CB 4.11Å
564E83Confident84.7Confident137 Ų13749.9 Ų49.964%0.6423%0.234SC*.Hα-helixtrans-56.2-36.5178.9-167.5171.3-160.700111.8D560 M562 H566 K587D560-E564 WeakPolarHBondContact O-CB 3.27Å; D560-E564 PolarHBondContact O-N 3.31Å; M562-E564 VanDerWaalsContact C-N 3.31Å; M562-E564 PolarHBondContact O-N 2.85Å; E564-H566 PolarHBondContact O-N 2.96Å; E564-K587 PolarHBondContact O-NZ 3.2Å
565K82.3Confident84.7Confident161 Ų16149.1 Ų49.170%0.723%0.231SC*.THydrogen-bonded Turntrans-67.7-14.5179.2-59.2174.9-172.1172.50113.9L563L563-K565 PolarHBondContact O-N 3.18Å
566H83.7Confident84.7Confident51 Ų5145.8 Ų45.824%0.23622%0.215CC..  trans-114149.8-174.8-57.4-69.5000112.2M562 L563 E564 A569 K587 V639M562-H566 PolarHBondContact O-CD2 2.71Å; M562-H566 VanDerWaalsContact O-CD2 3.24Å; L563-H566 PolarHBondContact O-N 3.29Å; E564-H566 PolarHBondContact O-N 2.96Å; H566-A569 HydrophobicContact CB-CB 3.71Å; H566-K587 WeakPolarHBondContact O-CD 3.48Å; H566-K587 VanDerWaalsContact O-CE 3.27Å; H566-K587 WeakPolarHBondContact O-CE 3.3Å; H566-K587 PolarHBondContact O-NZ 3.19Å; H566-V639 VanDerWaalsContact CE1-CG2 3.48Å; H566-V639 WeakPolarHBondContact CE1-CG2 3.49Å
567K79.6Confident84.4Confident170 Ų17043.1 Ų43.174%0.73921%0.205SC*.SBendtrans-87.1-28.3179-68.8-176.2179.6179.70113.3L589K567-L589 HydrophobicContact CB-CD1 3.94Å; K567-L589 HydrophobicContact CG-CD1 4.29Å
568S85.5Confident84Confident24 Ų2441.4 Ų41.417%0.16820%0.201CC..SBendtrans-157.298.5-179.3178.10000107.9K587 V629 K630 Y631S568-K587 WeakPolarHBondContact CA-O 3.45Å; S568-V629 WeakPolarHBondContact OG-CA 3.42Å; S568-K630 PolarHBondContact OG-N 2.75Å; S568-Y631 WeakPolarHBondContact O-CD2 3.34Å
569A89.5Confident83.6Confident1 Ų137.6 Ų37.61%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-152.5155.9-178.200000110.9L563 H566 K587 Y631L563-A569 HydrophobicContact CD2-CB 3.76Å; H566-A569 HydrophobicContact CB-CB 3.71Å; A569-K587 PolarHBondContact N-O 3.14Å; A569-K587 VanDerWaalsContact N-O 3.07Å; A569-K587 PolarHBondContact O-N 2.86Å; A569-Y631 CarbonylContact C-O 3.47Å; A569-Y631 VanDerWaalsContact CA-O 3.31Å; A569-Y631 WeakPolarHBondContact CA-O 3.34Å
570L91.7Very high83.5Confident0 Ų037.8 Ų37.80%018%0.184CC..EExtended strand (participates in β ladder)trans-128.3153.5170.875.998.5000111.8M572 F584 T585 V586 L620 V629 Y631 I632 L633 I642L570-M572 HydrophobicContact CD1-CG 3.87Å; L570-F584 HydrophobicContact CD1-CD1 4.02Å; L570-F584 HydrophobicContact CD1-CE1 4.2Å; L570-T585 CarbonylContact C-O 3.56Å; L570-T585 VanDerWaalsContact CA-O 3.27Å; L570-T585 WeakPolarHBondContact CA-O 3.36Å; L570-V586 HydrophobicContact CB-CG2 4.14Å; L570-L620 HydrophobicContact CD1-CD1 3.62Å; L570-L620 HydrophobicContact CD2-CD1 3.6Å; L570-L620 HydrophobicContact CG-CD1 4.24Å; L570-V629 HydrophobicContact CB-CG1 4.19Å; L570-V629 HydrophobicContact CD2-CG1 4.02Å; L570-Y631 PolarHBondContact N-O 3.45Å; L570-I632 HydrophobicContact CD1-CB 4.41Å; L570-I632 HydrophobicContact CD1-CD1 3.87Å; L570-I632 HydrophobicContact CD1-CG1 3.84Å; L570-I632 HydrophobicContact CG-CB 4.25Å; L570-I632 HydrophobicContact CG-CG1 4.16Å; L570-I632 WeakPolarHBondContact O-CA 3.44Å; L570-L633 PolarHBondContact O-N 3.44Å; L570-I642 HydrophobicContact CD2-CD1 3.35Å; L570-I642 HydrophobicContact CD2-CG1 4.25Å; L570-I642 HydrophobicContact CG-CD1 4.42Å
571I91.3Very high83.6Confident0 Ų035.6 Ų35.60%017%0.173CC..EExtended strand (participates in β ladder)trans-122135.6172-73.6169.4000108.7M551 V559 M562 L563 R573 F584 T585 L633M551-I571 HydrophobicContact CE-CG1 4.42Å; M551-I571 HydrophobicContact CG-CG2 4.36Å; M551-I571 HydrophobicContact SD-CD1 4.36Å; M551-I571 HydrophobicContact SD-CG1 4.27Å; M551-I571 HydrophobicContact SD-CG2 3.54Å; M551-I571 VanDerWaalsContact SD-CG2 3.54Å; V559-I571 HydrophobicContact CG1-CB 4.45Å; V559-I571 HydrophobicContact CG1-CD1 4.05Å; V559-I571 HydrophobicContact CG1-CG2 4.46Å; M562-I571 HydrophobicContact CB-CD1 4.11Å; L563-I571 HydrophobicContact CD1-CD1 4.21Å; L563-I571 HydrophobicContact CD2-CD1 3.93Å; L563-I571 HydrophobicContact CD2-CG1 3.99Å; L563-I571 HydrophobicContact CG-CD1 3.71Å; L563-I571 HydrophobicContact CG-CG1 4.24Å; I571-R573 HydrophobicContact CG2-CB 4.4Å; I571-F584 WeakPolarHBondContact O-CA 3.39Å; I571-T585 PolarHBondContact N-O 3.23Å; I571-T585 PolarHBondContact O-N 2.92Å; I571-L633 HydrophobicContact CD1-CD2 3.8Å; I571-L633 HydrophobicContact CG1-CB 3.88Å; I571-L633 HydrophobicContact CG1-CD2 4.1Å
572M93.1Very high83.7Confident0 Ų031.2 Ų31.20%015%0.149CC..EExtended strand (participates in β ladder)trans-105.5130.7165.9-58.2-173.1-63.700108.6L544 F549 L550 M551 L570 C583 F584 L616 L620 I632L544-M572 HydrophobicContact CD1-CE 4.24Å; L544-M572 HydrophobicContact CD2-CE 4.27Å; F549-M572 HydrophobicContact CB-CE 3.93Å; F549-M572 WeakPolarHBondContact O-CE 3.33Å; L550-M572 HydrophobicContact CD1-CB 3.81Å; M551-M572 WeakPolarHBondContact CB-O 3.44Å; M551-M572 PolarHBondContact N-O 3.48Å; L570-M572 HydrophobicContact CD1-CG 3.87Å; M572-C583 WeakPolarHBondContact CA-O 3.36Å; M572-F584 HydrophobicContact CG-CD1 3.78Å; M572-F584 HydrophobicContact CG-CE1 3.41Å; M572-F584 VanDerWaalsContact CG-CE1 3.41Å; M572-F584 HydrophobicContact CG-CZ 3.88Å; M572-F584 HydrophobicContact SD-CD1 4.47Å; M572-F584 HydrophobicContact SD-CE1 3.52Å; M572-F584 VanDerWaalsContact SD-CE1 3.52Å; M572-F584 HydrophobicContact SD-CZ 3.59Å; M572-F584 VanDerWaalsContact SD-CZ 3.59Å; M572-L616 HydrophobicContact SD-CD1 4.33Å; M572-L616 HydrophobicContact SD-CD2 4.27Å; M572-L616 HydrophobicContact SD-CG 4.26Å; M572-L620 HydrophobicContact SD-CD1 4.25Å; M572-I632 HydrophobicContact CE-CD1 3.48Å; M572-I632 VanDerWaalsContact CE-CD1 3.48Å; M572-I632 HydrophobicContact CG-CD1 4.27Å; M572-I632 HydrophobicContact SD-CD1 4.31Å
573R90.4Very high83.8Confident7 Ų730.3 Ų30.33%0.02615%0.145CC..EExtended strand (participates in β ladder)trans-140.5156.9-178.366.9-177.9177.793.2-3.3113.2M551 M554 F556 I571 I582 C583M551-R573 HydrophobicContact CB-CB 4.23Å; M551-R573 WeakPolarHBondContact O-CA 3.5Å; M554-R573 PolarHBondContact O-NH1 3.21Å; F556-R573 VanDerWaalsContact CD1-NH2 3.29Å; I571-R573 HydrophobicContact CG2-CB 4.4Å; R573-I582 WeakPolarHBondContact O-CA 3.35Å; R573-C583 HydrophobicContact CG-CB 4.08Å; R573-C583 PolarHBondContact N-O 2.81Å; R573-C583 PolarHBondContact O-N 3.42Å
574L90.2Very high83.8Confident0 Ų030.4 Ų30.40%015%0.146CC..EExtended strand (participates in β ladder)trans-73.8149.8167.8-58.5-174.4000110.6L467 L530 F534 W545 L550 M551 G552 F553 I582L467-L574 HydrophobicContact CD2-CD1 4.43Å; L530-L574 HydrophobicContact CD1-CD1 4.01Å; L530-L574 HydrophobicContact CD1-CD2 3.62Å; L530-L574 HydrophobicContact CD1-CG 4.29Å; L530-L574 HydrophobicContact CD2-CD1 3.96Å; F534-L574 HydrophobicContact CE2-CD2 4.39Å; W545-L574 HydrophobicContact CE3-CD1 4.33Å; W545-L574 HydrophobicContact CH2-CD1 4.05Å; W545-L574 HydrophobicContact CZ3-CD1 3.62Å; W545-L574 HydrophobicContact CZ3-CG 4.04Å; L550-L574 HydrophobicContact CD1-CD2 4.27Å; L550-L574 HydrophobicContact CD2-CD2 3.76Å; L550-L574 HydrophobicContact CG-CD2 4.08Å; M551-L574 PolarHBondContact O-N 2.99Å; M551-L574 VanDerWaalsContact O-N 3.14Å; G552-L574 PolarHBondContact O-N 2.82Å; F553-L574 HydrophobicContact CD1-CB 3.82Å; F553-L574 HydrophobicContact CE1-CB 3.62Å; F553-L574 HydrophobicContact CE2-CB 4.42Å; F553-L574 HydrophobicContact CE2-CD1 4.22Å; F553-L574 HydrophobicContact CG-CB 4.3Å; F553-L574 HydrophobicContact CZ-CB 3.94Å; F553-L574 HydrophobicContact CZ-CD1 4.19Å; L574-I582 HydrophobicContact CD2-CG1 4.3Å
575S82.3Confident83.9Confident1 Ų123.9 Ų23.91%0.00712%0.115CC..EExtended strand (participates in β ladder)trans-148.2143.2-175.9-176.70000112.6V577 T581 C583S575-V577 WeakPolarHBondContact OG-CB 3.31Å; S575-V577 WeakPolarHBondContact OG-CG2 3.42Å; S575-V577 PolarHBondContact OG-N 3.01Å; S575-T581 PolarHBondContact N-O 2.83Å; S575-T581 PolarHBondContact O-N 2.95Å; S575-T581 PolarHBondContact O-OG1 3.15Å; S575-C583 WeakPolarHBondContact CB-SG 3.32Å; S575-C583 PolarHBondContact OG-SG 3.47Å
576F75.4Confident84.1Confident2 Ų216.2 Ų16.21%0.0098%0.082CC..  trans-112.847.3169.1-71.8-40.2000111.4L475 K478 L510 F521 G526 F553 G579L475-F576 HydrophobicContact CD2-CD2 3.76Å; L475-F576 HydrophobicContact CD2-CE2 3.59Å; L475-F576 HydrophobicContact CG-CE2 4.36Å; K478-F576 HydrophobicContact CD-CB 4.23Å; K478-F576 PolarHBondContact NZ-O 3.4Å; L510-F576 HydrophobicContact CD2-CB 3.94Å; F521-F576 HydrophobicContact CE2-CB 4.22Å; F521-F576 HydrophobicContact CE2-CD1 4.01Å; F521-F576 HydrophobicContact CE2-CG 4.37Å; F521-F576 HydrophobicContact CZ-CB 3.84Å; F521-F576 HydrophobicContact CZ-CD1 4.34Å; F521-F576 HydrophobicContact CZ-CG 4.46Å; F521-F576 WeakPolarHBondContact CZ-O 3.39Å; G526-F576 VanDerWaalsContact CA-CE1 3.5Å; F553-F576 HydrophobicContact CD1-CD2 4.02Å; F553-F576 HydrophobicContact CD1-CE2 4.18Å; F553-F576 HydrophobicContact CE1-CD1 4.11Å; F553-F576 AromaticContact CE1-CD2 3.5Å; F553-F576 HydrophobicContact CE1-CD2 3.5Å; F553-F576 HydrophobicContact CE1-CE1 4Å; F553-F576 AromaticContact CE1-CE2 3.41Å; F553-F576 HydrophobicContact CE1-CE2 3.41Å; F553-F576 VanDerWaalsContact CE1-CE2 3.41Å; F553-F576 AromaticContact CE1-CG 3.86Å; F553-F576 HydrophobicContact CE1-CG 3.86Å; F553-F576 AromaticContact CE1-CZ 3.69Å; F553-F576 HydrophobicContact CE1-CZ 3.69Å; F553-F576 AromaticContact CE2-CE2 3.83Å; F553-F576 HydrophobicContact CE2-CE2 3.83Å; F553-F576 HydrophobicContact CE2-CZ 4.12Å; F553-F576 HydrophobicContact CZ-CD1 4.46Å; F553-F576 AromaticContact CZ-CD2 3.85Å; F553-F576 HydrophobicContact CZ-CD2 3.85Å; F553-F576 AromaticContact CZ-CE1 3.9Å; F553-F576 HydrophobicContact CZ-CE1 3.9Å; F553-F576 AromaticContact CZ-CE2 3.21Å; F553-F576 HydrophobicContact CZ-CE2 3.21Å; F553-F576 HydrophobicContact CZ-CG 4.43Å; F553-F576 AromaticContact CZ-CZ 3.26Å; F553-F576 HydrophobicContact CZ-CZ 3.26Å; F576-G579 WeakPolarHBondContact CA-O 3.39Å
577V69.3Low84.2Confident13 Ų1314.9 Ų14.98%0.0798%0.075CC..SBendtrans-86-56.1178166.70000111.2Y512 F556 S575 P605Y512-V577 WeakPolarHBondContact CB-O 3.32Å; Y512-V577 HydrophobicContact CD1-CG1 3.62Å; Y512-V577 HydrophobicContact CD2-CG1 3.65Å; Y512-V577 HydrophobicContact CE1-CG1 3.52Å; Y512-V577 HydrophobicContact CE2-CG1 3.56Å; Y512-V577 HydrophobicContact CG-CG1 3.66Å; Y512-V577 VanDerWaalsContact CZ-CG1 3.49Å; F556-V577 HydrophobicContact CZ-CG2 4.28Å; S575-V577 WeakPolarHBondContact OG-CB 3.31Å; S575-V577 WeakPolarHBondContact OG-CG2 3.42Å; S575-V577 PolarHBondContact OG-N 3.01Å; V577-P605 HydrophobicContact CB-CG 4.4Å; V577-P605 HydrophobicContact CG1-CG 4.12Å
578T68.6Low84.3Confident59 Ų597.5 Ų7.536%0.3625%0.045SC..SBendtrans-11314.8177.947.60000113.7Y512 V519Y512-T578 HydrophobicContact CD1-CG2 4.35Å; V519-T578 HydrophobicContact CG2-CG2 4.35Å
579G74.5Confident83.7Confident0 Ų09.7 Ų9.70%06%0.055CC..SBendtrans131-164.4-167.700000110.1F521 E529 F576 T581F521-G579 VanDerWaalsContact CZ-CA 3.42Å; F521-G579 VanDerWaalsContact CZ-N 3.27Å; E529-G579 WeakPolarHBondContact OE2-CA 3.45Å; F576-G579 WeakPolarHBondContact CA-O 3.39Å; G579-T581 PolarHBondContact O-N 3.26Å
580G80.4Confident82.7Confident3 Ų311.7 Ų11.73%0.0317%0.072CC..SBendtrans-71.9106.9167.400000110.6G526 E529 I533G526-G580 WeakPolarHBondContact O-CA 3.43Å; E529-G580 PolarHBondContact OE2-N 3.45Å; I533-G580 VanDerWaalsContact CD1-O 3.31Å; I533-G580 WeakPolarHBondContact CD1-O 3.12Å
581T85.8Confident81.3Confident3 Ų316.3 Ų16.32%0.0189%0.093CC..EExtended strand (participates in β ladder)trans-141.4166.5-172.453.90000112.7S575 G579 P605 L606 D607S575-T581 PolarHBondContact N-O 2.83Å; S575-T581 PolarHBondContact O-N 2.95Å; S575-T581 PolarHBondContact O-OG1 3.15Å; G579-T581 PolarHBondContact O-N 3.26Å; T581-P605 HydrophobicContact CG2-CB 4.12Å; T581-L606 WeakPolarHBondContact CA-O 3.2Å; T581-L606 WeakPolarHBondContact CB-O 3.42Å; T581-D607 HydrophobicContact CG2-CB 4.22Å
582I89.4Confident79.9Confident0 Ų018.6 Ų18.60%011%0.107CC..EExtended strand (participates in β ladder)trans-110.9131.3172.7-59.3-179.9000109.1I533 V541 L550 R573 L574 L606 L611 L616I533-I582 HydrophobicContact CG2-CD1 4.12Å; V541-I582 HydrophobicContact CB-CD1 4.23Å; V541-I582 HydrophobicContact CG1-CD1 3.72Å; V541-I582 HydrophobicContact CG2-CD1 3.42Å; V541-I582 VanDerWaalsContact CG2-CD1 3.42Å; L550-I582 HydrophobicContact CD1-CG2 3.89Å; L550-I582 HydrophobicContact CD2-CD1 4.11Å; R573-I582 WeakPolarHBondContact O-CA 3.35Å; L574-I582 HydrophobicContact CD2-CG1 4.3Å; I582-L606 PolarHBondContact N-O 2.81Å; I582-L606 PolarHBondContact O-N 2.89Å; I582-L611 HydrophobicContact CD1-CD1 4.01Å; I582-L616 HydrophobicContact CD1-CD2 3.9Å; I582-L616 HydrophobicContact CG2-CD1 4.08Å; I582-L616 HydrophobicContact CG2-CD2 4.45Å
583C87.6Confident78.1Confident4 Ų427.6 Ų27.63%0.02715%0.154CC..EExtended strand (participates in β ladder)trans-115.6146.9179-69.50000111M572 R573 S575M572-C583 WeakPolarHBondContact CA-O 3.36Å; R573-C583 HydrophobicContact CG-CB 4.08Å; R573-C583 PolarHBondContact N-O 2.81Å; R573-C583 PolarHBondContact O-N 3.42Å; S575-C583 WeakPolarHBondContact CB-SG 3.32Å; S575-C583 PolarHBondContact OG-SG 3.47Å
584F87Confident76.5Confident2 Ų231 Ų311%0.00917%0.173CC..EExtended strand (participates in β ladder)trans-108.5134169.7-75.3-100.4000109.3L570 I571 M572 L603 L606 L616 L620 I623L570-F584 HydrophobicContact CD1-CD1 4.02Å; L570-F584 HydrophobicContact CD1-CE1 4.2Å; I571-F584 WeakPolarHBondContact O-CA 3.39Å; M572-F584 HydrophobicContact CG-CD1 3.78Å; M572-F584 HydrophobicContact CG-CE1 3.41Å; M572-F584 VanDerWaalsContact CG-CE1 3.41Å; M572-F584 HydrophobicContact CG-CZ 3.88Å; M572-F584 HydrophobicContact SD-CD1 4.47Å; M572-F584 HydrophobicContact SD-CE1 3.52Å; M572-F584 VanDerWaalsContact SD-CE1 3.52Å; M572-F584 HydrophobicContact SD-CZ 3.59Å; M572-F584 VanDerWaalsContact SD-CZ 3.59Å; F584-L603 HydrophobicContact CB-CB 4.13Å; F584-L603 HydrophobicContact CB-CD1 3.81Å; F584-L603 HydrophobicContact CB-CG 4.21Å; F584-L603 PolarHBondContact O-N 3.36Å; F584-L606 HydrophobicContact CD2-CD1 4.16Å; F584-L606 HydrophobicContact CE2-CD1 3.63Å; F584-L616 HydrophobicContact CE2-CD1 3.56Å; F584-L616 HydrophobicContact CZ-CD1 3.52Å; F584-L620 HydrophobicContact CE1-CB 4.3Å; F584-L620 HydrophobicContact CE1-CD1 4Å; F584-L620 HydrophobicContact CZ-CB 4.45Å; F584-I623 HydrophobicContact CB-CD1 4.26Å; F584-I623 HydrophobicContact CD1-CD1 3.71Å; F584-I623 HydrophobicContact CD2-CD1 3.81Å; F584-I623 HydrophobicContact CE1-CD1 3.88Å; F584-I623 HydrophobicContact CE2-CD1 4Å; F584-I623 HydrophobicContact CG-CD1 3.66Å; F584-I623 HydrophobicContact CZ-CD1 4.04Å
585T85.1Confident74.7Confident0 Ų036 Ų360%021%0.205CC..EExtended strand (participates in β ladder)trans-118.8131.3164-530000108.4V559 L563 L570 I571 P600 I601 H602V559-T585 HydrophobicContact CG1-CG2 3.77Å; V559-T585 WeakPolarHBondContact CG1-OG1 3.25Å; L563-T585 HydrophobicContact CD1-CG2 3.43Å; L563-T585 VanDerWaalsContact CD1-CG2 3.43Å; L570-T585 CarbonylContact C-O 3.56Å; L570-T585 VanDerWaalsContact CA-O 3.27Å; L570-T585 WeakPolarHBondContact CA-O 3.36Å; I571-T585 PolarHBondContact N-O 3.23Å; I571-T585 PolarHBondContact O-N 2.92Å; T585-P600 HydrophobicContact CG2-CB 3.77Å; T585-I601 WeakPolarHBondContact CA-O 3.24Å; T585-H602 VanDerWaalsContact CG2-CE1 3.48Å; T585-H602 WeakPolarHBondContact CG2-CE1 3.33Å; T585-H602 WeakPolarHBondContact CG2-ND1 3.37Å; T585-H602 PolarHBondContact OG1-ND1 3.41Å
586V86.5Confident73.2Confident1 Ų147.1 Ų47.11%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-127134.1-171.8-176.10000109.7L570 I601 L603 I623 E627 V629L570-V586 HydrophobicContact CB-CG2 4.14Å; V586-I601 PolarHBondContact N-O 3.36Å; V586-I601 PolarHBondContact O-N 3.46Å; V586-L603 HydrophobicContact CG2-CD1 3.93Å; V586-L603 HydrophobicContact CG2-CG 4.38Å; V586-I623 HydrophobicContact CG2-CG2 3.72Å; V586-E627 HydrophobicContact CG1-CB 3.9Å; V586-E627 HydrophobicContact CG1-CG 4.18Å; V586-V629 HydrophobicContact CG1-CB 4.43Å; V586-V629 HydrophobicContact CG1-CG2 3.24Å
587K85.7Confident72.2Confident22 Ų2249.9 Ų49.910%0.09627%0.267CS..EExtended strand (participates in β ladder)trans-119.7125.3166.6-173.8-177.9175.6-171.30109.2L563 E564 H566 S568 A569 S598L563-K587 HydrophobicContact CB-CB 4.25Å; L563-K587 HydrophobicContact CB-CD 4.42Å; L563-K587 WeakPolarHBondContact O-CD 3.33Å; L563-K587 PolarHBondContact O-NZ 2.94Å; E564-K587 PolarHBondContact O-NZ 3.2Å; H566-K587 WeakPolarHBondContact O-CD 3.48Å; H566-K587 VanDerWaalsContact O-CE 3.27Å; H566-K587 WeakPolarHBondContact O-CE 3.3Å; H566-K587 PolarHBondContact O-NZ 3.19Å; S568-K587 WeakPolarHBondContact CA-O 3.45Å; A569-K587 PolarHBondContact N-O 3.14Å; A569-K587 VanDerWaalsContact N-O 3.07Å; A569-K587 PolarHBondContact O-N 2.86Å; K587-S598 WeakPolarHBondContact CE-O 3.47Å
588S80.9Confident71.9Confident15 Ų1550 Ų5011%0.10527%0.268CS..  trans-141.8144.5178.7-171.20000111A590 S598 E627S588-A590 VanDerWaalsContact OG-CB 3.31Å; S588-A590 WeakPolarHBondContact OG-CB 3.42Å; S588-A590 PolarHBondContact OG-N 3.48Å; S588-S598 PolarHBondContact O-OG 3.4Å; S588-E627 VanDerWaalsContact CB-O 3.23Å; S588-E627 WeakPolarHBondContact CB-O 3.36Å; S588-E627 PolarHBondContact OG-O 2.81Å
589L73.9Confident72Confident70 Ų7057.4 Ų57.437%0.36629%0.29SS..SBendtrans-94.30.9171.9-68.5167.7000112.1K567 H591K567-L589 HydrophobicContact CB-CD1 3.94Å; K567-L589 HydrophobicContact CG-CD1 4.29Å; L589-H591 VanDerWaalsContact C-N 3.28Å; L589-H591 PolarHBondContact O-N 3.37Å
590A67.4Low72.2Confident44 Ų4458.6 Ų58.636%0.36430%0.297SS..THydrogen-bonded Turntrans-67-26.6-171.200000114.5S588 K628S588-A590 VanDerWaalsContact OG-CB 3.31Å; S588-A590 WeakPolarHBondContact OG-CB 3.42Å; S588-A590 PolarHBondContact OG-N 3.48Å; A590-K628 HydrophobicContact CB-CB 3.8Å; A590-K628 HydrophobicContact CB-CD 3.94Å; A590-K628 HydrophobicContact CB-CG 4.17Å
591H62.9Low72.2Confident96 Ų9661.3 Ų61.344%0.44431%0.31SS..THydrogen-bonded Turntrans-114.88.1-171.1-55.8-57.6000113L589 A626 E627L589-H591 VanDerWaalsContact C-N 3.28Å; L589-H591 PolarHBondContact O-N 3.37Å; H591-A626 PolarHBondContact NE2-O 3.42Å; H591-E627 IonicContact CD2-OE2 3.28Å; H591-E627 PolarHBondContact CD2-OE2 3.29Å; H591-E627 VanDerWaalsContact CD2-OE2 3.28Å; H591-E627 IonicContact NE2-OE2 3.43Å; H591-E627 PolarHBondContact NE2-OE2 3.12Å
592T62.4Low71.8Confident49 Ų4962.3 Ų62.330%0.30132%0.315SS..  trans-134.3127-177.959.10000111.5D594T592-D594 VanDerWaalsContact C-N 3.32Å
593L55.6Low71.4Confident188 Ų18863.1 Ų63.198%0.98432%0.319SS*.SBendtrans-78.3-15.1176.4-70163.7000113.2
594D55.2Low71Confident80 Ų8066.4 Ų66.443%0.42833%0.334SS..  trans-102.3112.4178.3-173.5-3.5000111.3T592 R596 S597T592-D594 VanDerWaalsContact C-N 3.32Å; D594-R596 PolarHBondContact O-N 2.61Å; D594-R596 VanDerWaalsContact O-N 3.11Å; D594-R596 WeakPolarHBondContact OD1-CB 3.4Å; D594-R596 PolarHBondContact OD1-N 2.99Å; D594-S597 PolarHBondContact O-N 2.75Å; D594-S597 VanDerWaalsContact O-N 3.07Å; D594-S597 PolarHBondContact O-OG 3.31Å
595P52.5Low70.7Confident104 Ų10467.1 Ų67.168%0.67534%0.339SS*.THydrogen-bonded Turntrans-60.1-19.3177.1-20.531.3000114.2
596R51.4Low70.7Confident235 Ų23567.7 Ų67.789%0.88734%0.342SS*.THydrogen-bonded Turntrans-88.5-7.7178.7-64.8179.7173.8160-1.7113.3D594D594-R596 PolarHBondContact O-N 2.61Å; D594-R596 VanDerWaalsContact O-N 3.11Å; D594-R596 WeakPolarHBondContact OD1-CB 3.4Å; D594-R596 PolarHBondContact OD1-N 2.99Å
597S53.3Low70.6Confident60 Ų6070.6 Ų70.642%0.4236%0.357SS..  trans-101.4-4.3-176.3950000114.8D594 R599D594-S597 PolarHBondContact O-N 2.75Å; D594-S597 VanDerWaalsContact O-N 3.07Å; D594-S597 PolarHBondContact O-OG 3.31Å; S597-R599 VanDerWaalsContact C-N 3.31Å; S597-R599 PolarHBondContact O-N 2.92Å
598S64.9Low70.6Confident16 Ų1671.4 Ų71.411%0.11236%0.362CS..  trans-79.579.3-177.1-176.40000110.7K587 S588K587-S598 WeakPolarHBondContact CE-O 3.47Å; S588-S598 PolarHBondContact O-OG 3.4Å
599R70.6Confident70.8Confident214 Ų21477.3 Ų77.381%0.80839%0.386SS*.  trans-73.3146.3165.8-72.3-169.9178.2-171.6-1.4109.8S597S597-R599 VanDerWaalsContact C-N 3.31Å; S597-R599 PolarHBondContact O-N 2.92Å
600P78.6Confident71.4Confident24 Ų2477.1 Ų77.116%0.15638%0.381CS..  trans-56.3145.1170-21.833.6000111.5D560 L563 T585D560-P600 HydrophobicContact CB-CG 4.15Å; D560-P600 VanDerWaalsContact OD1-CB 3.3Å; D560-P600 WeakPolarHBondContact OD1-CB 3.29Å; L563-P600 HydrophobicContact CB-CB 4.45Å; L563-P600 HydrophobicContact CB-CG 4.06Å; L563-P600 HydrophobicContact CD1-CB 4.11Å; T585-P600 HydrophobicContact CG2-CB 3.77Å
601I79.3Confident72.3Confident60 Ų6075.2 Ų75.231%0.30836%0.364SS..EExtended strand (participates in β ladder)trans-112.8117.9-177.9-55.4173.7000107.9T585 V586 L603T585-I601 WeakPolarHBondContact CA-O 3.24Å; V586-I601 PolarHBondContact N-O 3.36Å; V586-I601 PolarHBondContact O-N 3.46Å; I601-L603 HydrophobicContact CG2-CD2 4.14Å
602H78.3Confident73.4Confident24 Ų2475.3 Ų75.311%0.11137%0.365CS..EExtended strand (participates in β ladder)trans-86.1121.7172.7-54-60.9000110.2F556 D560 T585F556-H602 AromaticContact CD1-CD2 3.66Å; F556-H602 AromaticContact CD1-CE1 3.59Å; F556-H602 AromaticContact CD1-CG 3.76Å; F556-H602 AromaticContact CD1-ND1 3.7Å; F556-H602 AromaticContact CD1-NE2 3.52Å; F556-H602 HydrophobicContact CE1-CB 4.3Å; F556-H602 AromaticContact CE1-CG 3.88Å; D560-H602 IonicContact OD1-CE1 3.83Å; D560-H602 PolarHBondContact OD1-CE1 2.9Å; D560-H602 IonicContact OD1-NE2 2.84Å; D560-H602 PolarHBondContact OD1-NE2 2.85Å; D560-H602 IonicContact OD2-NE2 3.96Å; T585-H602 VanDerWaalsContact CG2-CE1 3.48Å; T585-H602 WeakPolarHBondContact CG2-CE1 3.33Å; T585-H602 WeakPolarHBondContact CG2-ND1 3.37Å; T585-H602 PolarHBondContact OG1-ND1 3.41Å
603L81.4Confident74.6Confident18 Ų1879.8 Ų79.89%0.09438%0.382CS..PPolyproline II helixtrans-86.6162.2178-57.2-176.6000111.3F584 V586 I601 I623 I688F584-L603 HydrophobicContact CB-CB 4.13Å; F584-L603 HydrophobicContact CB-CD1 3.81Å; F584-L603 HydrophobicContact CB-CG 4.21Å; F584-L603 PolarHBondContact O-N 3.36Å; V586-L603 HydrophobicContact CG2-CD1 3.93Å; V586-L603 HydrophobicContact CG2-CG 4.38Å; I601-L603 HydrophobicContact CG2-CD2 4.14Å; L603-I623 HydrophobicContact CD1-CD1 3.82Å; L603-I623 HydrophobicContact CD1-CG1 4Å; L603-I623 HydrophobicContact CD1-CG2 3.81Å; L603-I688 HydrophobicContact CD2-CG2 4.07Å
604E77.3Confident76.1Confident73 Ų7373.7 Ų73.734%0.34135%0.348SS..PPolyproline II helixtrans-60.4137.3179.5-163.8-173.5177.700111.5R610E604-R610 VanDerWaalsContact CD-CZ 3.41Å; E604-R610 IonicContact OE1-CZ 2.7Å; E604-R610 IonicContact OE1-NH1 3.34Å; E604-R610 PolarHBondContact OE1-NH1 3.07Å; E604-R610 IonicContact OE1-NH2 3.42Å; E604-R610 PolarHBondContact OE1-NH2 2.99Å; E604-R610 IonicContact OE2-CZ 3.32Å; E604-R610 IonicContact OE2-NH1 3.13Å; E604-R610 PolarHBondContact OE2-NH1 2.67Å; E604-R610 IonicContact OE2-NH2 3.61Å; E604-R610 PolarHBondContact OE2-NH2 3.02Å
605P82.7Confident77.6Confident17 Ų1770.6 Ų70.611%0.1133%0.333CS..PPolyproline II helixtrans-57.5143.2177.7-22.530.9000113.5V577 T581 R610V577-P605 HydrophobicContact CB-CG 4.4Å; V577-P605 HydrophobicContact CG1-CG 4.12Å; T581-P605 HydrophobicContact CG2-CB 4.12Å; P605-R610 PolarHBondContact O-NH1 3.3Å
606L84.8Confident79.4Confident12 Ų1265.7 Ų65.76%0.06330%0.3CS..BIsolated β-bridgetrans-98.8115.6172.9-56.5-174.2000109.6T581 I582 F584 R610 L611 L616 Y619T581-L606 WeakPolarHBondContact CA-O 3.2Å; T581-L606 WeakPolarHBondContact CB-O 3.42Å; I582-L606 PolarHBondContact N-O 2.81Å; I582-L606 PolarHBondContact O-N 2.89Å; F584-L606 HydrophobicContact CD2-CD1 4.16Å; F584-L606 HydrophobicContact CE2-CD1 3.63Å; L606-R610 HydrophobicContact CD2-CB 4.41Å; L606-L611 HydrophobicContact CB-CD2 4.27Å; L606-L611 HydrophobicContact CB-CG 4.18Å; L606-L611 HydrophobicContact CD1-CD2 4.04Å; L606-L616 HydrophobicContact CD1-CD1 4.22Å; L606-Y619 HydrophobicContact CD1-CD1 4.32Å; L606-Y619 HydrophobicContact CD1-CD2 3.84Å; L606-Y619 HydrophobicContact CD1-CE2 4.23Å; L606-Y619 HydrophobicContact CD1-CG 3.88Å; L606-Y619 HydrophobicContact CD2-CE1 4.28Å
607D84.1Confident81.3Confident62 Ų6256.7 Ų56.733%0.33227%0.268SS..  trans-89.6176.4171.669.9-2.9000111.3T581 K609 R610 L611T581-D607 HydrophobicContact CG2-CB 4.22Å; D607-K609 PolarHBondContact O-N 3.14Å; D607-K609 PolarHBondContact OD1-N 3.41Å; D607-R610 PolarHBondContact O-N 3Å; D607-R610 WeakPolarHBondContact OD1-CB 3.25Å; D607-R610 WeakPolarHBondContact OD1-CD 3.43Å; D607-R610 WeakPolarHBondContact OD1-CG 3.35Å; D607-R610 PolarHBondContact OD1-N 3.2Å; D607-L611 WeakPolarHBondContact O-CG 3.36Å; D607-L611 PolarHBondContact O-N 3.19Å
608L84.9Confident82.8Confident39 Ų3955.7 Ų55.720%0.20426%0.258CS..Hα-helixtrans-57.3-38.8177.4-179.863.9000112.3Q532 I533 D536 R610 L611 Q612Q532-L608 HydrophobicContact CB-CD2 3.99Å; I533-L608 HydrophobicContact CG1-CB 4.09Å; I533-L608 HydrophobicContact CG1-CD1 4.23Å; D536-L608 HydrophobicContact CB-CD1 4.36Å; L608-R610 PolarHBondContact O-N 3.05Å; L608-L611 PolarHBondContact O-N 2.89Å; L608-Q612 HydrophobicContact CD1-CG 4.15Å; L608-Q612 HydrophobicContact CG-CG 4.28Å; L608-Q612 WeakPolarHBondContact O-CB 3.48Å; L608-Q612 VanDerWaalsContact O-CG 3.24Å; L608-Q612 WeakPolarHBondContact O-CG 3.43Å; L608-Q612 PolarHBondContact O-N 3.09Å
609K86.2Confident84Confident138 Ų13856.4 Ų56.460%0.626%0.258SS*.Hα-helixtrans-64.6-41.7-176.9-173.8-179.8177.8-176.20111.3D607 Q612 Q613D607-K609 PolarHBondContact O-N 3.14Å; D607-K609 PolarHBondContact OD1-N 3.41Å; K609-Q612 PolarHBondContact O-N 2.94Å; K609-Q613 WeakPolarHBondContact O-CG 3.44Å; K609-Q613 PolarHBondContact O-N 2.96Å
610R86.4Confident84.9Confident67 Ų6746.2 Ų46.225%0.25322%0.22SC..Hα-helixtrans-66.2-45.3174.2-70.6165.3177.4-140.8-11.4111.1E604 P605 L606 D607 L608 Q612 Q613 K614E604-R610 VanDerWaalsContact CD-CZ 3.41Å; E604-R610 IonicContact OE1-CZ 2.7Å; E604-R610 IonicContact OE1-NH1 3.34Å; E604-R610 PolarHBondContact OE1-NH1 3.07Å; E604-R610 IonicContact OE1-NH2 3.42Å; E604-R610 PolarHBondContact OE1-NH2 2.99Å; E604-R610 IonicContact OE2-CZ 3.32Å; E604-R610 IonicContact OE2-NH1 3.13Å; E604-R610 PolarHBondContact OE2-NH1 2.67Å; E604-R610 IonicContact OE2-NH2 3.61Å; E604-R610 PolarHBondContact OE2-NH2 3.02Å; P605-R610 PolarHBondContact O-NH1 3.3Å; L606-R610 HydrophobicContact CD2-CB 4.41Å; D607-R610 PolarHBondContact O-N 3Å; D607-R610 WeakPolarHBondContact OD1-CB 3.25Å; D607-R610 WeakPolarHBondContact OD1-CD 3.43Å; D607-R610 WeakPolarHBondContact OD1-CG 3.35Å; D607-R610 PolarHBondContact OD1-N 3.2Å; L608-R610 PolarHBondContact O-N 3.05Å; R610-Q612 PolarHBondContact O-N 3.45Å; R610-Q613 WeakPolarHBondContact O-CB 3.29Å; R610-Q613 PolarHBondContact O-N 3.13Å; R610-K614 PolarHBondContact O-N 2.48Å
611L86.4Confident85.3Confident4 Ų449.6 Ų49.62%0.02123%0.229CC..Hα-helixtrans-66.4-22.9179-69.7171.9000113.9I533 N539 V541 I582 L606 D607 L608 K614 L616 Y619I533-L611 HydrophobicContact CD1-CD1 4.21Å; I533-L611 HydrophobicContact CG1-CD1 4.34Å; I533-L611 HydrophobicContact CG2-CD1 3.68Å; N539-L611 HydrophobicContact CB-CB 4.17Å; V541-L611 HydrophobicContact CG2-CD1 4.28Å; I582-L611 HydrophobicContact CD1-CD1 4.01Å; L606-L611 HydrophobicContact CB-CD2 4.27Å; L606-L611 HydrophobicContact CB-CG 4.18Å; L606-L611 HydrophobicContact CD1-CD2 4.04Å; D607-L611 WeakPolarHBondContact O-CG 3.36Å; D607-L611 PolarHBondContact O-N 3.19Å; L608-L611 PolarHBondContact O-N 2.89Å; L611-K614 CarbonylContact C-O 3.56Å; L611-K614 VanDerWaalsContact CA-O 3.27Å; L611-K614 WeakPolarHBondContact CA-O 3.24Å; L611-K614 CarbonylContact O-C 3.56Å; L611-L616 HydrophobicContact CD2-CB 4.08Å; L611-L616 HydrophobicContact CD2-CD1 4.19Å; L611-Y619 HydrophobicContact CD2-CD2 4.33Å
612Q85.3Confident85.6Confident98 Ų9848.3 Ų48.346%0.45822%0.223SC..Hα-helixtrans-78-27.7171.8-78.9177.4-1300113.3D536 L608 K609 R610D536-Q612 WeakPolarHBondContact OD2-CG 3.47Å; L608-Q612 HydrophobicContact CD1-CG 4.15Å; L608-Q612 HydrophobicContact CG-CG 4.28Å; L608-Q612 WeakPolarHBondContact O-CB 3.48Å; L608-Q612 VanDerWaalsContact O-CG 3.24Å; L608-Q612 WeakPolarHBondContact O-CG 3.43Å; L608-Q612 PolarHBondContact O-N 3.09Å; K609-Q612 PolarHBondContact O-N 2.94Å; R610-Q612 PolarHBondContact O-N 3.45Å
613Q87.6Confident85.9Confident143 Ų14347.3 Ų47.367%0.66822%0.219SC*.Hα-helixtrans-77-38174.4-68.9172.2-3.900111.1K609 R610K609-Q613 WeakPolarHBondContact O-CG 3.44Å; K609-Q613 PolarHBondContact O-N 2.96Å; R610-Q613 WeakPolarHBondContact O-CB 3.29Å; R610-Q613 PolarHBondContact O-N 3.13Å
614K86.9Confident86.1Confident59 Ų5946.8 Ų46.826%0.25722%0.217SC..SBendtrans-148.6131.5-179.7-179.5168.5-175.5152.80110.2R610 L611 D618 Y619 D622R610-K614 PolarHBondContact O-N 2.48Å; L611-K614 CarbonylContact C-O 3.56Å; L611-K614 VanDerWaalsContact CA-O 3.27Å; L611-K614 WeakPolarHBondContact CA-O 3.24Å; L611-K614 CarbonylContact O-C 3.56Å; K614-D618 HydrophobicContact CD-CB 4.31Å; K614-D618 VanDerWaalsContact CE-O 3.31Å; K614-D618 WeakPolarHBondContact CE-O 3.15Å; K614-D618 HydrophobicContact CG-CB 3.93Å; K614-Y619 HydrophobicContact CB-CD2 4.07Å; K614-Y619 HydrophobicContact CB-CE2 3.58Å; K614-Y619 HydrophobicContact CD-CD1 4.42Å; K614-Y619 HydrophobicContact CD-CD2 4.44Å; K614-Y619 HydrophobicContact CD-CE1 4.37Å; K614-Y619 HydrophobicContact CD-CE2 4.42Å; K614-Y619 HydrophobicContact CD-CG 4.45Å; K614-Y619 HydrophobicContact CG-CD2 3.96Å; K614-Y619 HydrophobicContact CG-CE2 3.97Å; K614-Y619 HydrophobicContact CG-CG 4.4Å; K614-Y619 WeakPolarHBondContact O-CD2 3.28Å; K614-Y619 WeakPolarHBondContact O-CE2 3.47Å; K614-D622 IonicContact NZ-OD1 2.7Å; K614-D622 PolarHBondContact NZ-OD1 3.49Å; K614-D622 IonicContact NZ-OD2 3.91Å; K614-D622 PolarHBondContact NZ-OD2 3.1Å
615C87.7Confident86.4Confident16 Ų1648.8 Ų48.811%0.10823%0.23CC..  trans-73.9159.8-175.2740000112.5R538 K617 D618 Y619R538-C615 WeakPolarHBondContact O-CB 3.35Å; C615-K617 VanDerWaalsContact C-N 3.31Å; C615-K617 PolarHBondContact O-N 2.83Å; C615-K617 VanDerWaalsContact SG-CE 3.51Å; C615-K617 WeakPolarHBondContact SG-CG 3.3Å; C615-D618 PolarHBondContact O-N 3.12Å; C615-D618 VanDerWaalsContact SG-CG 3.5Å; C615-D618 PolarHBondContact SG-OD2 3.4Å; C615-Y619 PolarHBondContact O-N 2.97Å; C615-Y619 VanDerWaalsContact O-N 3.09Å
616L90.3Very high86.3Confident0 Ų049.2 Ų49.20%024%0.235CC..Hα-helixtrans-60.7-37.8-172.9-175.561.6000112.6N539 V541 L544 M572 I582 F584 L606 L611 D618 Y619 L620N539-L616 VanDerWaalsContact O-CB 3.24Å; N539-L616 WeakPolarHBondContact O-CB 3.39Å; N539-L616 PolarHBondContact O-N 3.34Å; V541-L616 HydrophobicContact CG2-CB 4.16Å; V541-L616 HydrophobicContact CG2-CD2 3.85Å; L544-L616 HydrophobicContact CD1-CB 4.16Å; L544-L616 HydrophobicContact CD1-CD2 3.55Å; L544-L616 HydrophobicContact CD1-CG 3.81Å; M572-L616 HydrophobicContact SD-CD1 4.33Å; M572-L616 HydrophobicContact SD-CD2 4.27Å; M572-L616 HydrophobicContact SD-CG 4.26Å; I582-L616 HydrophobicContact CD1-CD2 3.9Å; I582-L616 HydrophobicContact CG2-CD1 4.08Å; I582-L616 HydrophobicContact CG2-CD2 4.45Å; F584-L616 HydrophobicContact CE2-CD1 3.56Å; F584-L616 HydrophobicContact CZ-CD1 3.52Å; L606-L616 HydrophobicContact CD1-CD1 4.22Å; L611-L616 HydrophobicContact CD2-CB 4.08Å; L611-L616 HydrophobicContact CD2-CD1 4.19Å; L616-D618 VanDerWaalsContact C-N 3.28Å; L616-D618 PolarHBondContact O-N 2.65Å; L616-Y619 PolarHBondContact O-N 3.16Å; L616-L620 WeakPolarHBondContact O-CB 3.47Å; L616-L620 PolarHBondContact O-N 3.21Å
617K89.8Confident86Confident46 Ų4649.6 Ų49.620%0.224%0.237CC..Hα-helixtrans-62.9-33.5177.164.6169.6-173.1-173.80112.9C615 R621 L646 L649C615-K617 VanDerWaalsContact C-N 3.31Å; C615-K617 PolarHBondContact O-N 2.83Å; C615-K617 VanDerWaalsContact SG-CE 3.51Å; C615-K617 WeakPolarHBondContact SG-CG 3.3Å; K617-R621 PolarHBondContact O-N 3.13Å; K617-R621 VanDerWaalsContact O-N 3.13Å; K617-L646 HydrophobicContact CB-CD2 4.39Å; K617-L646 WeakPolarHBondContact O-CD2 3.38Å; K617-L649 HydrophobicContact CB-CD1 4.14Å
618D86.6Confident85.9Confident40 Ų4053.1 Ų53.121%0.21425%0.249CC..Hα-helixtrans-83-31.2-179.2-61-39.1000110.4K614 C615 L616 L620 R621 D622K614-D618 HydrophobicContact CD-CB 4.31Å; K614-D618 VanDerWaalsContact CE-O 3.31Å; K614-D618 WeakPolarHBondContact CE-O 3.15Å; K614-D618 HydrophobicContact CG-CB 3.93Å; C615-D618 PolarHBondContact O-N 3.12Å; C615-D618 VanDerWaalsContact SG-CG 3.5Å; C615-D618 PolarHBondContact SG-OD2 3.4Å; L616-D618 VanDerWaalsContact C-N 3.28Å; L616-D618 PolarHBondContact O-N 2.65Å; D618-L620 VanDerWaalsContact C-N 3.33Å; D618-R621 PolarHBondContact O-N 3.08Å; D618-R621 IonicContact OD1-CZ 3.43Å; D618-R621 IonicContact OD1-NH1 3.14Å; D618-R621 PolarHBondContact OD1-NH1 2.86Å; D618-R621 VanDerWaalsContact OD1-NH1 3.14Å; D618-R621 IonicContact OD1-NH2 3.04Å; D618-R621 PolarHBondContact OD1-NH2 3.23Å; D618-D622 PolarHBondContact O-N 3.33Å
619Y88.6Confident85.9Confident30 Ų3051.7 Ų51.712%0.11824%0.242CC..Hα-helixtrans-60.6-43.8166.2-86.8-67.5000111.6L606 L611 K614 C615 L616 R621 D622 I623L606-Y619 HydrophobicContact CD1-CD1 4.32Å; L606-Y619 HydrophobicContact CD1-CD2 3.84Å; L606-Y619 HydrophobicContact CD1-CE2 4.23Å; L606-Y619 HydrophobicContact CD1-CG 3.88Å; L606-Y619 HydrophobicContact CD2-CE1 4.28Å; L611-Y619 HydrophobicContact CD2-CD2 4.33Å; K614-Y619 HydrophobicContact CB-CD2 4.07Å; K614-Y619 HydrophobicContact CB-CE2 3.58Å; K614-Y619 HydrophobicContact CD-CD1 4.42Å; K614-Y619 HydrophobicContact CD-CD2 4.44Å; K614-Y619 HydrophobicContact CD-CE1 4.37Å; K614-Y619 HydrophobicContact CD-CE2 4.42Å; K614-Y619 HydrophobicContact CD-CG 4.45Å; K614-Y619 HydrophobicContact CG-CD2 3.96Å; K614-Y619 HydrophobicContact CG-CE2 3.97Å; K614-Y619 HydrophobicContact CG-CG 4.4Å; K614-Y619 WeakPolarHBondContact O-CD2 3.28Å; K614-Y619 WeakPolarHBondContact O-CE2 3.47Å; C615-Y619 PolarHBondContact O-N 2.97Å; C615-Y619 VanDerWaalsContact O-N 3.09Å; L616-Y619 PolarHBondContact O-N 3.16Å; Y619-R621 VanDerWaalsContact C-N 3.33Å; Y619-R621 PolarHBondContact O-N 3.5Å; Y619-D622 PolarHBondContact O-N 2.93Å; Y619-I623 WeakPolarHBondContact O-CB 3.21Å; Y619-I623 WeakPolarHBondContact O-CD1 3.29Å; Y619-I623 VanDerWaalsContact O-CG1 3.24Å; Y619-I623 WeakPolarHBondContact O-CG1 3.49Å; Y619-I623 PolarHBondContact O-N 3.02Å
620L89.5Confident85.8Confident0 Ų051.6 Ų51.60%024%0.241CC..Hα-helixtrans-57.8-44.5175.4175.365.4000111.8L570 M572 F584 L616 D618 A624 I632 I642 L645 L646L570-L620 HydrophobicContact CD1-CD1 3.62Å; L570-L620 HydrophobicContact CD2-CD1 3.6Å; L570-L620 HydrophobicContact CG-CD1 4.24Å; M572-L620 HydrophobicContact SD-CD1 4.25Å; F584-L620 HydrophobicContact CE1-CB 4.3Å; F584-L620 HydrophobicContact CE1-CD1 4Å; F584-L620 HydrophobicContact CZ-CB 4.45Å; L616-L620 WeakPolarHBondContact O-CB 3.47Å; L616-L620 PolarHBondContact O-N 3.21Å; D618-L620 VanDerWaalsContact C-N 3.33Å; L620-A624 VanDerWaalsContact O-CB 3.25Å; L620-A624 WeakPolarHBondContact O-CB 3.38Å; L620-A624 PolarHBondContact O-N 3.19Å; L620-I632 HydrophobicContact CD1-CD1 4.24Å; L620-I632 HydrophobicContact CD2-CD1 4.41Å; L620-I642 HydrophobicContact CD1-CG2 4.5Å; L620-I642 HydrophobicContact CD2-CG2 4.41Å; L620-I642 HydrophobicContact CG-CG2 4.18Å; L620-L645 HydrophobicContact CD2-CD2 3.73Å; L620-L646 HydrophobicContact CD2-CD2 4.36Å
621R87.8Confident86.1Confident95 Ų9553.1 Ų53.136%0.35825%0.248SC..Hα-helixtrans-60.3-52.8176.2-172-173.8-56127.417.2111.6K617 D618 Y619 I623 A624 D625 L646K617-R621 PolarHBondContact O-N 3.13Å; K617-R621 VanDerWaalsContact O-N 3.13Å; D618-R621 PolarHBondContact O-N 3.08Å; D618-R621 IonicContact OD1-CZ 3.43Å; D618-R621 IonicContact OD1-NH1 3.14Å; D618-R621 PolarHBondContact OD1-NH1 2.86Å; D618-R621 VanDerWaalsContact OD1-NH1 3.14Å; D618-R621 IonicContact OD1-NH2 3.04Å; D618-R621 PolarHBondContact OD1-NH2 3.23Å; Y619-R621 VanDerWaalsContact C-N 3.33Å; Y619-R621 PolarHBondContact O-N 3.5Å; R621-I623 VanDerWaalsContact C-N 3.34Å; R621-I623 PolarHBondContact O-N 3.28Å; R621-A624 PolarHBondContact O-N 3.49Å; R621-D625 VanDerWaalsContact O-CG 3.31Å; R621-D625 PolarHBondContact O-N 3.23Å; R621-L646 HydrophobicContact CB-CD1 3.89Å; R621-L646 HydrophobicContact CB-CD2 4.45Å; R621-L646 HydrophobicContact CG-CD1 3.94Å
622D85.2Confident86.3Confident33 Ų3353 Ų5318%0.17625%0.247CC..Hα-helixtrans-60.1-42.3-178.5-80.335000112.9K614 D618 Y619 D625 A626K614-D622 IonicContact NZ-OD1 2.7Å; K614-D622 PolarHBondContact NZ-OD1 3.49Å; K614-D622 IonicContact NZ-OD2 3.91Å; K614-D622 PolarHBondContact NZ-OD2 3.1Å; D618-D622 PolarHBondContact O-N 3.33Å; Y619-D622 PolarHBondContact O-N 2.93Å; D622-D625 PolarHBondContact O-N 2.97Å; D622-A626 WeakPolarHBondContact O-CB 3.46Å; D622-A626 PolarHBondContact O-N 3.22Å
623I84.8Confident86.6Confident4 Ų448.4 Ų48.42%0.02123%0.226CC..Hα-helixtrans-66.8-43.5178.6-68.3163000110.1F584 V586 L603 Y619 R621 D625 A626 E627 M686F584-I623 HydrophobicContact CB-CD1 4.26Å; F584-I623 HydrophobicContact CD1-CD1 3.71Å; F584-I623 HydrophobicContact CD2-CD1 3.81Å; F584-I623 HydrophobicContact CE1-CD1 3.88Å; F584-I623 HydrophobicContact CE2-CD1 4Å; F584-I623 HydrophobicContact CG-CD1 3.66Å; F584-I623 HydrophobicContact CZ-CD1 4.04Å; V586-I623 HydrophobicContact CG2-CG2 3.72Å; L603-I623 HydrophobicContact CD1-CD1 3.82Å; L603-I623 HydrophobicContact CD1-CG1 4Å; L603-I623 HydrophobicContact CD1-CG2 3.81Å; Y619-I623 WeakPolarHBondContact O-CB 3.21Å; Y619-I623 WeakPolarHBondContact O-CD1 3.29Å; Y619-I623 VanDerWaalsContact O-CG1 3.24Å; Y619-I623 WeakPolarHBondContact O-CG1 3.49Å; Y619-I623 PolarHBondContact O-N 3.02Å; R621-I623 VanDerWaalsContact C-N 3.34Å; R621-I623 PolarHBondContact O-N 3.28Å; I623-D625 VanDerWaalsContact C-N 3.33Å; I623-D625 PolarHBondContact O-N 3.47Å; I623-A626 PolarHBondContact O-N 3.47Å; I623-E627 HydrophobicContact CG2-CG 4.47Å; I623-E627 WeakPolarHBondContact O-CB 3.28Å; I623-E627 PolarHBondContact O-N 2.94Å; I623-M686 HydrophobicContact CD1-SD 4.48Å; I623-M686 HydrophobicContact CG1-CE 3.7Å; I623-M686 HydrophobicContact CG1-SD 3.84Å
624A85.4Confident86.7Confident7 Ų741.8 Ų41.86%0.05820%0.195CC..Hα-helixtrans-60.7-42.6177.400000111.8L620 R621 K628 V629 I642L620-A624 VanDerWaalsContact O-CB 3.25Å; L620-A624 WeakPolarHBondContact O-CB 3.38Å; L620-A624 PolarHBondContact O-N 3.19Å; R621-A624 PolarHBondContact O-N 3.49Å; A624-K628 CarbonylContact O-C 3.54Å; A624-K628 WeakPolarHBondContact O-CA 3.3Å; A624-K628 PolarHBondContact O-N 3.42Å; A624-V629 PolarHBondContact O-N 3.45Å; A624-I642 HydrophobicContact CB-CD1 3.82Å; A624-I642 HydrophobicContact CB-CG2 4.1Å
625D83.1Confident86.6Confident114 Ų11440.7 Ų40.761%0.6120%0.197SC*.Hα-helixtrans-69.2-45.1178.8-68.6-21.1000112R621 D622 I623R621-D625 VanDerWaalsContact O-CG 3.31Å; R621-D625 PolarHBondContact O-N 3.23Å; D622-D625 PolarHBondContact O-N 2.97Å; I623-D625 VanDerWaalsContact C-N 3.33Å; I623-D625 PolarHBondContact O-N 3.47Å
626A80.1Confident86.4Confident27 Ų2745.9 Ų45.922%0.22322%0.224CC..Hα-helixtrans-68-43.2-178.300000112.8H591 D622 I623 M686H591-A626 PolarHBondContact NE2-O 3.42Å; D622-A626 WeakPolarHBondContact O-CB 3.46Å; D622-A626 PolarHBondContact O-N 3.22Å; I623-A626 PolarHBondContact O-N 3.47Å; A626-M686 HydrophobicContact CB-CE 4.47Å
627E80.4Confident86Confident19 Ų1952 Ų529%0.08925%0.252CS..Hα-helixtrans-91.40.3-179.1-61.8-58.415000112.9V586 S588 H591 I623 V629V586-E627 HydrophobicContact CG1-CB 3.9Å; V586-E627 HydrophobicContact CG1-CG 4.18Å; S588-E627 VanDerWaalsContact CB-O 3.23Å; S588-E627 WeakPolarHBondContact CB-O 3.36Å; S588-E627 PolarHBondContact OG-O 2.81Å; H591-E627 IonicContact CD2-OE2 3.28Å; H591-E627 PolarHBondContact CD2-OE2 3.29Å; H591-E627 VanDerWaalsContact CD2-OE2 3.28Å; H591-E627 IonicContact NE2-OE2 3.43Å; H591-E627 PolarHBondContact NE2-OE2 3.12Å; I623-E627 HydrophobicContact CG2-CG 4.47Å; I623-E627 WeakPolarHBondContact O-CB 3.28Å; I623-E627 PolarHBondContact O-N 2.94Å; E627-V629 VanDerWaalsContact C-N 3.29Å; E627-V629 HydrophobicContact CB-CG2 3.76Å; E627-V629 PolarHBondContact O-N 2.86Å
628K81.6Confident85.8Confident137 Ų13755.2 Ų55.260%0.59627%0.268SS*.THydrogen-bonded Turntrans50.645.2-175.4-55.2-173.8-171.7163.90112.8A590 A624A590-K628 HydrophobicContact CB-CB 3.8Å; A590-K628 HydrophobicContact CB-CD 3.94Å; A590-K628 HydrophobicContact CB-CG 4.17Å; A624-K628 CarbonylContact O-C 3.54Å; A624-K628 WeakPolarHBondContact O-CA 3.3Å; A624-K628 PolarHBondContact O-N 3.42Å
629V84.8Confident85.9Confident8 Ų856.4 Ų56.45%0.04828%0.277CS..  trans-93.5131.8-179.2-179.80000110S568 L570 V586 A624 E627 I642S568-V629 WeakPolarHBondContact OG-CA 3.42Å; L570-V629 HydrophobicContact CB-CG1 4.19Å; L570-V629 HydrophobicContact CD2-CG1 4.02Å; V586-V629 HydrophobicContact CG1-CB 4.43Å; V586-V629 HydrophobicContact CG1-CG2 3.24Å; A624-V629 PolarHBondContact O-N 3.45Å; E627-V629 VanDerWaalsContact C-N 3.29Å; E627-V629 HydrophobicContact CB-CG2 3.76Å; E627-V629 PolarHBondContact O-N 2.86Å; V629-I642 HydrophobicContact CG1-CD1 4.16Å; V629-I642 WeakPolarHBondContact O-CD1 3.4Å
630K84.5Confident86Confident137 Ų13757.2 Ų57.260%0.59628%0.282SS*.  trans-98.7-25.3-173.9-65.4-173.6177.4-174.20114.4S568 I642S568-K630 PolarHBondContact OG-N 2.75Å; K630-I642 PolarHBondContact O-N 3.23Å; K630-I642 VanDerWaalsContact O-N 3.12Å
631Y91.2Very high86Confident99 Ų9960 Ų6039%0.38830%0.297SS..EExtended strand (participates in β ladder)trans-128.1148-169.1-56.2-76.2000112.8S568 A569 L570 V639 I640 N641S568-Y631 WeakPolarHBondContact O-CD2 3.34Å; A569-Y631 CarbonylContact C-O 3.47Å; A569-Y631 VanDerWaalsContact CA-O 3.31Å; A569-Y631 WeakPolarHBondContact CA-O 3.34Å; L570-Y631 PolarHBondContact N-O 3.45Å; Y631-V639 VanDerWaalsContact CB-CG1 3.44Å; Y631-V639 HydrophobicContact CD1-CG1 3.75Å; Y631-V639 HydrophobicContact CD2-CG1 4.43Å; Y631-V639 HydrophobicContact CG-CG1 3.63Å; Y631-I640 CarbonylContact C-O 3.56Å; Y631-I640 VanDerWaalsContact CA-O 3.28Å; Y631-I640 WeakPolarHBondContact CA-O 3.39Å; Y631-N641 HydrophobicContact CD1-CB 4.43Å; Y631-N641 HydrophobicContact CE1-CB 4.46Å
632I91.8Very high86.1Confident0 Ų055.7 Ų55.70%028%0.281CS..EExtended strand (participates in β ladder)trans-113.6136.7169.7-172.8168000109.1F549 L570 M572 L620 I640 I642 L645F549-I632 HydrophobicContact CB-CD1 4.29Å; F549-I632 HydrophobicContact CD1-CD1 4.16Å; F549-I632 HydrophobicContact CD1-CG2 3.88Å; F549-I632 HydrophobicContact CE1-CG2 3.98Å; L570-I632 HydrophobicContact CD1-CB 4.41Å; L570-I632 HydrophobicContact CD1-CD1 3.87Å; L570-I632 HydrophobicContact CD1-CG1 3.84Å; L570-I632 HydrophobicContact CG-CB 4.25Å; L570-I632 HydrophobicContact CG-CG1 4.16Å; L570-I632 WeakPolarHBondContact O-CA 3.44Å; M572-I632 HydrophobicContact CE-CD1 3.48Å; M572-I632 VanDerWaalsContact CE-CD1 3.48Å; M572-I632 HydrophobicContact CG-CD1 4.27Å; M572-I632 HydrophobicContact SD-CD1 4.31Å; L620-I632 HydrophobicContact CD1-CD1 4.24Å; L620-I632 HydrophobicContact CD2-CD1 4.41Å; I632-I640 HydrophobicContact CG2-CB 4.17Å; I632-I640 PolarHBondContact N-O 2.79Å; I632-I640 PolarHBondContact O-N 2.63Å; I632-I642 HydrophobicContact CB-CG1 4.06Å; I632-I642 HydrophobicContact CG2-CG1 4.29Å; I632-L645 HydrophobicContact CD1-CD2 4.11Å; I632-L645 HydrophobicContact CG2-CD2 3.98Å
633L91.6Very high86.1Confident2 Ų260.9 Ų60.91%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-90.5127.6173.8-167.170.1000109.4M551 M562 L570 I571 E637 V639M551-L633 HydrophobicContact CE-CB 4.45Å; M551-L633 HydrophobicContact CE-CD2 4.15Å; M551-L633 HydrophobicContact CE-CG 4.09Å; M562-L633 HydrophobicContact CB-CD2 4.17Å; M562-L633 HydrophobicContact CE-CD2 3.78Å; L570-L633 PolarHBondContact O-N 3.44Å; I571-L633 HydrophobicContact CD1-CD2 3.8Å; I571-L633 HydrophobicContact CG1-CB 3.88Å; I571-L633 HydrophobicContact CG1-CD2 4.1Å; L633-E637 WeakPolarHBondContact CD1-O 3.47Å; L633-V639 HydrophobicContact CD1-CG2 3.78Å
634T89.1Confident86.2Confident5 Ų564 Ų643%0.03133%0.327CS..  trans-87.7166.1178.3670000111.9F549 M551 N636 E637 E638 I640F549-T634 HydrophobicContact CD1-CG2 3.75Å; F549-T634 HydrophobicContact CE1-CG2 3.65Å; F549-T634 HydrophobicContact CZ-CG2 4.47Å; M551-T634 VanDerWaalsContact CE-C 3.41Å; M551-T634 WeakPolarHBondContact CE-O 3.23Å; T634-N636 PolarHBondContact O-N 3.47Å; T634-N636 VanDerWaalsContact O-N 3.08Å; T634-N636 PolarHBondContact OG1-N 3.48Å; T634-E637 WeakPolarHBondContact O-CA 3.4Å; T634-E637 PolarHBondContact O-N 3.07Å; T634-E638 PolarHBondContact N-O 3.07Å; T634-E638 WeakPolarHBondContact OG1-CB 3.36Å; T634-E638 PolarHBondContact OG1-N 3.11Å; T634-E638 VanDerWaalsContact OG1-N 3.12Å; T634-E638 PolarHBondContact OG1-O 3.02Å; T634-I640 HydrophobicContact CG2-CD1 3.54Å; T634-I640 HydrophobicContact CG2-CG1 3.95Å
635A84.1Confident86.3Confident36 Ų3663.8 Ų63.830%0.29832%0.324SS..THydrogen-bonded Turntrans-58.7-17.2174.100000114.4G548 M551 E637G548-A635 WeakPolarHBondContact O-CB 3.32Å; G548-A635 PolarHBondContact O-N 3.22Å; M551-A635 HydrophobicContact CG-CB 4.45Å; A635-E637 VanDerWaalsContact C-N 3.32Å
636N83.4Confident86.5Confident124 Ų12459.3 Ų59.366%0.66330%0.301SS*.THydrogen-bonded Turntrans-93.411.7174.9-62-20.8000112.5T634 E638T634-N636 PolarHBondContact O-N 3.47Å; T634-N636 VanDerWaalsContact O-N 3.08Å; T634-N636 PolarHBondContact OG1-N 3.48Å; N636-E638 HydrophobicContact CB-CG 4.13Å; N636-E638 PolarHBondContact O-N 2.72Å
637E82.6Confident86.7Confident129 Ų12963.9 Ų63.960%0.60332%0.317SS*.SBendtrans61.617.6-173.1-50-168.9166.700114.5M562 L633 T634 A635M562-E637 HydrophobicContact CE-CG 3.74Å; L633-E637 WeakPolarHBondContact CD1-O 3.47Å; T634-E637 WeakPolarHBondContact O-CA 3.4Å; T634-E637 PolarHBondContact O-N 3.07Å; A635-E637 VanDerWaalsContact C-N 3.32Å
638E86.6Confident86.7Confident114 Ų11465.9 Ų65.953%0.53333%0.333SS..  trans-83.6138.2175.1-58.3-179.816600110.9T634 N636T634-E638 PolarHBondContact N-O 3.07Å; T634-E638 WeakPolarHBondContact OG1-CB 3.36Å; T634-E638 PolarHBondContact OG1-N 3.11Å; T634-E638 VanDerWaalsContact OG1-N 3.12Å; T634-E638 PolarHBondContact OG1-O 3.02Å; N636-E638 HydrophobicContact CB-CG 4.13Å; N636-E638 PolarHBondContact O-N 2.72Å
639V87.8Confident86.6Confident65 Ų6559.4 Ų59.439%0.39431%0.305SS..EExtended strand (participates in β ladder)trans-95.7115.2179.3-176.80000109.1H566 Y631 L633H566-V639 VanDerWaalsContact CE1-CG2 3.48Å; H566-V639 WeakPolarHBondContact CE1-CG2 3.49Å; Y631-V639 VanDerWaalsContact CB-CG1 3.44Å; Y631-V639 HydrophobicContact CD1-CG1 3.75Å; Y631-V639 HydrophobicContact CD2-CG1 4.43Å; Y631-V639 HydrophobicContact CG-CG1 3.63Å; L633-V639 HydrophobicContact CD1-CG2 3.78Å
640I90.3Very high86.2Confident46 Ų4665.6 Ų65.624%0.23633%0.331CS..EExtended strand (participates in β ladder)trans-116.2142.3-176.8-61-173.6000109.9F549 Y631 I632 T634F549-I640 HydrophobicContact CE1-CB 4.06Å; F549-I640 HydrophobicContact CE1-CD1 3.65Å; F549-I640 HydrophobicContact CE1-CG1 4.33Å; F549-I640 HydrophobicContact CE1-CG2 4.08Å; F549-I640 HydrophobicContact CZ-CD1 3.76Å; F549-I640 HydrophobicContact CZ-CG2 4.35Å; Y631-I640 CarbonylContact C-O 3.56Å; Y631-I640 VanDerWaalsContact CA-O 3.28Å; Y631-I640 WeakPolarHBondContact CA-O 3.39Å; I632-I640 HydrophobicContact CG2-CB 4.17Å; I632-I640 PolarHBondContact N-O 2.79Å; I632-I640 PolarHBondContact O-N 2.63Å; T634-I640 HydrophobicContact CG2-CD1 3.54Å; T634-I640 HydrophobicContact CG2-CG1 3.95Å
641N90.8Very high84.9Confident58 Ų5865 Ų6531%0.3133%0.331SS..EExtended strand (participates in β ladder)trans-70.6130.9175-176.1-65.9000110.6Y631 E643 S644 L645Y631-N641 HydrophobicContact CD1-CB 4.43Å; Y631-N641 HydrophobicContact CE1-CB 4.46Å; N641-E643 VanDerWaalsContact C-N 3.34Å; N641-E643 PolarHBondContact O-N 3.21Å; N641-E643 VanDerWaalsContact OD1-CB 3.31Å; N641-E643 WeakPolarHBondContact OD1-CB 3.39Å; N641-E643 PolarHBondContact OD1-N 3.35Å; N641-S644 PolarHBondContact O-N 3.02Å; N641-L645 PolarHBondContact O-N 2.94Å
642I88Confident82.5Confident5 Ų569.4 Ų69.43%0.02636%0.36CS..Hα-helixtrans-65.6-35.9-174.9-64.7162.6000111.9L570 L620 A624 V629 K630 I632 S644 L645 L646L570-I642 HydrophobicContact CD2-CD1 3.35Å; L570-I642 HydrophobicContact CD2-CG1 4.25Å; L570-I642 HydrophobicContact CG-CD1 4.42Å; L620-I642 HydrophobicContact CD1-CG2 4.5Å; L620-I642 HydrophobicContact CD2-CG2 4.41Å; L620-I642 HydrophobicContact CG-CG2 4.18Å; A624-I642 HydrophobicContact CB-CD1 3.82Å; A624-I642 HydrophobicContact CB-CG2 4.1Å; V629-I642 HydrophobicContact CG1-CD1 4.16Å; V629-I642 WeakPolarHBondContact O-CD1 3.4Å; K630-I642 PolarHBondContact O-N 3.23Å; K630-I642 VanDerWaalsContact O-N 3.12Å; I632-I642 HydrophobicContact CB-CG1 4.06Å; I632-I642 HydrophobicContact CG2-CG1 4.29Å; I642-S644 PolarHBondContact O-N 2.91Å; I642-L645 WeakPolarHBondContact O-CB 3.36Å; I642-L645 PolarHBondContact O-N 3.18Å; I642-L646 HydrophobicContact CG2-CD1 3.88Å; I642-L646 HydrophobicContact CG2-CG 4.12Å; I642-L646 WeakPolarHBondContact O-CB 3.15Å; I642-L646 VanDerWaalsContact O-CG 3.29Å; I642-L646 WeakPolarHBondContact O-CG 3.47Å; I642-L646 PolarHBondContact O-N 3.05Å
643E86.9Confident80Confident143 Ų14372.8 Ų72.867%0.66840%0.395SS*.Hα-helixtrans-63-44179-61.8177.7168.400110.8N641 L645 L646 E647N641-E643 VanDerWaalsContact C-N 3.34Å; N641-E643 PolarHBondContact O-N 3.21Å; N641-E643 VanDerWaalsContact OD1-CB 3.31Å; N641-E643 WeakPolarHBondContact OD1-CB 3.39Å; N641-E643 PolarHBondContact OD1-N 3.35Å; E643-L645 VanDerWaalsContact C-N 3.35Å; E643-L645 PolarHBondContact O-N 2.95Å; E643-L646 PolarHBondContact O-N 2.89Å; E643-E647 WeakPolarHBondContact O-CG 3.46Å; E643-E647 PolarHBondContact O-N 3.35Å
644S87.1Confident77.3Confident69 Ų6978.1 Ų78.148%0.48343%0.427SS..Hα-helixtrans-61-42175.4177.30000112.2N641 I642 E647 S648N641-S644 PolarHBondContact O-N 3.02Å; I642-S644 PolarHBondContact O-N 2.91Å; S644-E647 PolarHBondContact O-N 3.16Å; S644-S648 PolarHBondContact O-N 3.11Å
645L86.6Confident74.6Confident2 Ų286.8 Ų86.81%0.0147%0.465CS..Hα-helixtrans-61-49.7172.9170.657.5000111.4L544 M547 F549 L620 I632 N641 I642 E643 E647 S648 L649L544-L645 HydrophobicContact CD2-CD1 4.25Å; L544-L645 HydrophobicContact CD2-CD2 4.4Å; M547-L645 HydrophobicContact CE-CD1 4.26Å; F549-L645 HydrophobicContact CB-CD2 4.49Å; F549-L645 HydrophobicContact CD1-CD1 4.27Å; F549-L645 HydrophobicContact CD1-CD2 3.65Å; F549-L645 HydrophobicContact CD2-CD1 3.55Å; F549-L645 HydrophobicContact CD2-CD2 4.23Å; F549-L645 HydrophobicContact CE1-CD1 4.01Å; F549-L645 HydrophobicContact CE1-CD2 3.84Å; F549-L645 HydrophobicContact CE1-CG 4.35Å; F549-L645 HydrophobicContact CE2-CD1 3.28Å; F549-L645 HydrophobicContact CE2-CD2 4.43Å; F549-L645 HydrophobicContact CE2-CG 4.41Å; F549-L645 HydrophobicContact CG-CD1 4.06Å; F549-L645 HydrophobicContact CG-CD2 3.86Å; F549-L645 HydrophobicContact CZ-CD1 3.54Å; F549-L645 HydrophobicContact CZ-CD2 4.26Å; F549-L645 HydrophobicContact CZ-CG 4.31Å; L620-L645 HydrophobicContact CD2-CD2 3.73Å; I632-L645 HydrophobicContact CD1-CD2 4.11Å; I632-L645 HydrophobicContact CG2-CD2 3.98Å; N641-L645 PolarHBondContact O-N 2.94Å; I642-L645 WeakPolarHBondContact O-CB 3.36Å; I642-L645 PolarHBondContact O-N 3.18Å; E643-L645 VanDerWaalsContact C-N 3.35Å; E643-L645 PolarHBondContact O-N 2.95Å; L645-E647 PolarHBondContact O-N 3.12Å; L645-S648 PolarHBondContact O-N 3.38Å; L645-S648 VanDerWaalsContact O-N 3.11Å; L645-S648 PolarHBondContact O-OG 3.22Å; L645-L649 HydrophobicContact CD1-CD1 3.81Å; L645-L649 HydrophobicContact CD1-CG 4.1Å; L645-L649 HydrophobicContact CG-CD1 4.04Å; L645-L649 WeakPolarHBondContact O-CG 3.27Å; L645-L649 PolarHBondContact O-N 3.48Å; L645-L649 VanDerWaalsContact O-N 3.14Å
646L87.3Confident72.3Confident21 Ų2191 Ų9111%0.1149%0.489CS..Hα-helixtrans-61.5-33.4-179.6-70.6174.6000111.9K617 L620 R621 I642 E643 L649 K650K617-L646 HydrophobicContact CB-CD2 4.39Å; K617-L646 WeakPolarHBondContact O-CD2 3.38Å; L620-L646 HydrophobicContact CD2-CD2 4.36Å; R621-L646 HydrophobicContact CB-CD1 3.89Å; R621-L646 HydrophobicContact CB-CD2 4.45Å; R621-L646 HydrophobicContact CG-CD1 3.94Å; I642-L646 HydrophobicContact CG2-CD1 3.88Å; I642-L646 HydrophobicContact CG2-CG 4.12Å; I642-L646 WeakPolarHBondContact O-CB 3.15Å; I642-L646 VanDerWaalsContact O-CG 3.29Å; I642-L646 WeakPolarHBondContact O-CG 3.47Å; I642-L646 PolarHBondContact O-N 3.05Å; E643-L646 PolarHBondContact O-N 2.89Å; L646-L649 PolarHBondContact O-N 2.88Å; L646-K650 PolarHBondContact O-N 3.46Å
647E83.4Confident69.8Low122 Ų12294.1 Ų94.157%0.5750%0.5SS*.Hα-helixtrans-65.8-44.7172.3-74.9-179.5169.400112.5E643 S644 L645 L649 K650E643-E647 WeakPolarHBondContact O-CG 3.46Å; E643-E647 PolarHBondContact O-N 3.35Å; S644-E647 PolarHBondContact O-N 3.16Å; L645-E647 PolarHBondContact O-N 3.12Å; E647-L649 PolarHBondContact O-N 3.46Å; E647-L649 VanDerWaalsContact O-N 3.15Å; E647-K650 WeakPolarHBondContact O-CB 3.44Å; E647-K650 PolarHBondContact O-N 2.85Å
648S82.1Confident67.3Low61 Ų6194.8 Ų94.843%0.42751%0.507SS..Hα-helixtrans-62.7-20.7175.778.50000113.7S644 L645S644-S648 PolarHBondContact O-N 3.11Å; L645-S648 PolarHBondContact O-N 3.38Å; L645-S648 VanDerWaalsContact O-N 3.11Å; L645-S648 PolarHBondContact O-OG 3.22Å
649L79.8Confident64.8Low1 Ų195.1 Ų95.11%0.00552%0.52CS..THydrogen-bonded Turntrans-94.1-4.2178.1-65.4172000113.7K543 L544 M547 K617 L645 L646 E647 E651K543-L649 HydrophobicContact CD-CD2 3.73Å; K543-L649 HydrophobicContact CG-CD2 4.15Å; L544-L649 HydrophobicContact CD2-CD1 3.74Å; L544-L649 HydrophobicContact CD2-CD2 4.48Å; L544-L649 HydrophobicContact CG-CD1 4.41Å; M547-L649 HydrophobicContact SD-CD2 3.91Å; K617-L649 HydrophobicContact CB-CD1 4.14Å; L645-L649 HydrophobicContact CD1-CD1 3.81Å; L645-L649 HydrophobicContact CD1-CG 4.1Å; L645-L649 HydrophobicContact CG-CD1 4.04Å; L645-L649 WeakPolarHBondContact O-CG 3.27Å; L645-L649 PolarHBondContact O-N 3.48Å; L645-L649 VanDerWaalsContact O-N 3.14Å; L646-L649 PolarHBondContact O-N 2.88Å; E647-L649 PolarHBondContact O-N 3.46Å; E647-L649 VanDerWaalsContact O-N 3.15Å; L649-E651 PolarHBondContact O-N 2.88Å
650K74.9Confident62.2Low138 Ų13897.7 Ų97.760%0.654%0.541SS*.SBendtrans-69.3115.1170.5-70.1175.7-171169.50108.4L646 E647 L652L646-K650 PolarHBondContact O-N 3.46Å; E647-K650 WeakPolarHBondContact O-CB 3.44Å; E647-K650 PolarHBondContact O-N 2.85Å; K650-L652 PolarHBondContact O-N 3.42Å
651E57.5Low59.3Low125 Ų125104.3 Ų104.358%0.58457%0.57SS**  trans-68.9122.2172.3-68.8-178.2168.800109.3L649 G653L649-E651 PolarHBondContact O-N 2.88Å; E651-G653 VanDerWaalsContact C-N 3.26Å; E651-G653 PolarHBondContact O-N 3.43Å
652L42.1Very low56.4Low191 Ų191106.8 Ų106.8100%159%0.592SS**THydrogen-bonded Turntrans-63.485.5166.6-82.2155.7000108.7K650K650-L652 PolarHBondContact O-N 3.42Å
653G38.3Very low53.5Low72 Ų72117.5 Ų117.574%0.74263%0.633SS**THydrogen-bonded Turntrans160.7-11.4170.500000120E651E651-G653 VanDerWaalsContact C-N 3.26Å; E651-G653 PolarHBondContact O-N 3.43Å
654V35.3Very low50.4Low113 Ų113120 Ų12069%0.68564%0.644SS**  trans-108.4115-178.1-171.10000110.2
655K32.2Very low47.6Very low187 Ų187123.8 Ų123.881%0.81366%0.658SS**  trans-54.3139.6170.9-82.2-179.2175178.10109.3E657K655-E657 PolarHBondContact O-N 3.49Å
656P35.4Very low44.6Very low124 Ų124129.3 Ų129.381%0.80570%0.696SS**  trans-64.1111.2175.625.9-30.5000108.6
657E30.4Very low41.7Very low190 Ų190131.9 Ų131.989%0.88872%0.716SS**  trans-68.1140.6157.2-74.1-162.6158.300108.1K655K655-E657 PolarHBondContact O-N 3.49Å
658N30Very low38.8Very low143 Ų143133.9 Ų133.977%0.76573%0.73SS**  trans-41.4149.1-168-68.6-37.9000115.2S660N658-S660 PolarHBondContact O-N 3.46Å
659P34.3Very low36.4Very low122 Ų122134.6 Ų134.679%0.79273%0.729SS**  trans-60111.3174.226.6-32.4000109E661P659-E661 PolarHBondContact O-N 3.26Å; P659-E661 VanDerWaalsContact O-N 3.1Å
660S32.8Very low34Very low119 Ų119141.3 Ų141.383%0.83277%0.77SS**  trans-54.9116.2173.6-40.70000108.8N658 S662N658-S660 PolarHBondContact O-N 3.46Å; S660-S662 PolarHBondContact O-N 2.87Å; S660-S662 VanDerWaalsContact O-N 3.1Å
661E31.2Very low32Very low184 Ų184142 Ų14286%0.8678%0.775SS**  trans-47.4116.5175.2-69.5175.1153.100110.3P659 R663P659-E661 PolarHBondContact O-N 3.26Å; P659-E661 VanDerWaalsContact O-N 3.1Å; E661-R663 PolarHBondContact O-N 3.39Å; E661-R663 VanDerWaalsContact O-N 3.08Å
662S29.2Very low30.9Very low111 Ų111145.8 Ų145.878%0.77680%0.795SS**  trans-60.4106.4171.351.30000109.4S660S660-S662 PolarHBondContact O-N 2.87Å; S660-S662 VanDerWaalsContact O-N 3.1Å
663R26.9Very low30.7Very low230 Ų230139.5 Ų139.587%0.86878%0.776SS**  trans-77.8122167-78.9-176.3175.5-178.5-1.6109.7E661E661-R663 PolarHBondContact O-N 3.39Å; E661-R663 VanDerWaalsContact O-N 3.08Å
664E22.6Very low30.3Very low194 Ų194142.5 Ų142.591%0.90778%0.776SS**  trans-69.3126.6176.9-72.8-179.2148.800111.9
665I27.3Very low30.4Very low150 Ų150144.6 Ų144.677%0.76978%0.781SS**  trans-144.4124.8165.5-54.6179000108.3
666S23.6Very low30.4Very low117 Ų117142.6 Ų142.682%0.81878%0.78SS**  trans-77.3147.7-177.652.40000114
667S26.5Very low30.3Very low76 Ų76142.1 Ų142.153%0.53178%0.775SS.*  trans-142.1136.2172.2177.50000111.3
668N22.7Very low30.3Very low163 Ų163141.5 Ų141.587%0.87277%0.774SS**  trans-84.1122175.6-65.3-22.3000109.9
669I31.6Very low30.2Very low77 Ų77142.2 Ų142.240%0.39577%0.773SS.*  trans-103.7123172-63.9170.9000107.5F683I669-F683 HydrophobicContact CD1-CE2 4.49Å; I669-F683 HydrophobicContact CD1-CZ 4.36Å
670T29.3Very low29.8Very low141 Ų141145.3 Ų145.387%0.86578%0.776SS**  trans-91.9107.8166.344.90000108.9
671H32.4Very low29.5Very low154 Ų154143.6 Ų143.671%0.71376%0.756SS**  trans-76.1148.1166.1-70.3-88.6000109.9G673H671-G673 PolarHBondContact O-N 3.46Å
672M34.8Very low29.2Very low203 Ų203145 Ų145100%176%0.76SS**SBendtrans-80.394.7161.1-75.6-80-86.500107.5
673G36.8Very low29.1Very low59 Ų59145.3 Ų145.361%0.60875%0.747SS**SBendtrans-177.1164-178.400000110.7H671H671-G673 PolarHBondContact O-N 3.46Å
674D31.5Very low29.1Very low136 Ų136138.8 Ų138.873%0.72773%0.733SS**  trans-60.3139.6-172.7-154.8-2.3000112.8D676D674-D676 PolarHBondContact O-N 2.9Å
675I36Very low29.1Very low157 Ų157134 Ų13481%0.80573%0.727SS**THydrogen-bonded Turntrans-66.6-14.4-162.1-69.4171.1000113.1
676D32.8Very low29.2Very low145 Ų145129.6 Ų129.678%0.77570%0.704SS**THydrogen-bonded Turntrans-94.93.6-166.8-71.8-21.1000115.8D674D674-D676 PolarHBondContact O-N 2.9Å
677T34.1Very low29.3Very low114 Ų114134 Ų13470%0.69970%0.703SS**  trans-11078.6179.447.30000113.1Q679T677-Q679 PolarHBondContact O-N 3.48Å
678M28.9Very low29.4Very low176 Ų176132.5 Ų132.587%0.86769%0.688SS**  trans-68109.7164.7-94.5-167.7173.600110.2
679Q29Very low29.4Very low159 Ų159127.2 Ų127.274%0.74367%0.667SS**  trans-105.2123.5165.5-68.3-1681.900110.4T677 I681T677-Q679 PolarHBondContact O-N 3.48Å; Q679-I681 PolarHBondContact O-N 3.44Å
680H24.8Very low29.1Very low186 Ų186127.9 Ų127.986%0.86168%0.675SS**  trans-80.7106.4170.5-71.8-78.1000109.7
681I28.1Very low29Very low83 Ų83122.7 Ų122.743%0.42664%0.643SS.*  trans-113.9132.7171.9-58.9173000108.3Q679 F683Q679-I681 PolarHBondContact O-N 3.44Å; I681-F683 HydrophobicContact CB-CD2 4.24Å; I681-F683 HydrophobicContact CB-CE2 3.56Å; I681-F683 HydrophobicContact CB-CZ 3.8Å; I681-F683 HydrophobicContact CD1-CZ 4.34Å; I681-F683 HydrophobicContact CG2-CD1 4.49Å; I681-F683 HydrophobicContact CG2-CD2 4.22Å; I681-F683 HydrophobicContact CG2-CE1 4.05Å; I681-F683 HydrophobicContact CG2-CE2 3.76Å; I681-F683 HydrophobicContact CG2-CZ 3.65Å; I681-F683 WeakPolarHBondContact O-CD2 3.33Å
682K23.4Very low28.8Very low214 Ų214119.9 Ų119.993%0.9364%0.636SS**  trans-77.6119173.5-81.3-179.1173.7-179.50109.1
683F28.3Very low28.6Very low117 Ų117114 Ų11451%0.51361%0.614SS.*  trans-113.8136.9-178.5-70.4-81000112.5I669 I681I669-F683 HydrophobicContact CD1-CE2 4.49Å; I669-F683 HydrophobicContact CD1-CZ 4.36Å; I681-F683 HydrophobicContact CB-CD2 4.24Å; I681-F683 HydrophobicContact CB-CE2 3.56Å; I681-F683 HydrophobicContact CB-CZ 3.8Å; I681-F683 HydrophobicContact CD1-CZ 4.34Å; I681-F683 HydrophobicContact CG2-CD1 4.49Å; I681-F683 HydrophobicContact CG2-CD2 4.22Å; I681-F683 HydrophobicContact CG2-CE1 4.05Å; I681-F683 HydrophobicContact CG2-CE2 3.76Å; I681-F683 HydrophobicContact CG2-CZ 3.65Å; I681-F683 WeakPolarHBondContact O-CD2 3.33Å
684T25.8Very low28.1Very low94 Ų94120.6 Ų120.658%0.57763%0.626SS**  trans-72.6143.2155.890000109.3M686T684-M686 PolarHBondContact O-N 2.66Å
685A24.4Very low28.1Very low94 Ų94120 Ų12078%0.77763%0.627SS**SBendtrans-68.779.6-169.100000114.3
686M29Very low27.8Very low56 Ų56118.7 Ų118.728%0.27662%0.616SS.*  trans-103.7123.8151.6-88.2-165.2-65.800108.4I623 A626 T684 I688I623-M686 HydrophobicContact CD1-SD 4.48Å; I623-M686 HydrophobicContact CG1-CE 3.7Å; I623-M686 HydrophobicContact CG1-SD 3.84Å; A626-M686 HydrophobicContact CB-CE 4.47Å; T684-M686 PolarHBondContact O-N 2.66Å; M686-I688 HydrophobicContact CB-CG1 3.88Å; M686-I688 HydrophobicContact CE-CD1 4.35Å; M686-I688 HydrophobicContact CE-CG1 4.42Å; M686-I688 PolarHBondContact O-N 3.45Å
687R25.7Very low27.8Very low211 Ų211114.5 Ų114.580%0.79660%0.596SS**  trans-71.490.5156.2-76.2-176-179.8-179.2-0.3106.4A689R687-A689 PolarHBondContact O-N 3.24Å
688I27.2Very low27.8Very low44 Ų44114 Ų11423%0.22660%0.595CS.*  trans-72.988.2170.3-57.1176.1000106.4L603 M686 V690L603-I688 HydrophobicContact CD2-CG2 4.07Å; M686-I688 HydrophobicContact CB-CG1 3.88Å; M686-I688 HydrophobicContact CE-CD1 4.35Å; M686-I688 HydrophobicContact CE-CG1 4.42Å; M686-I688 PolarHBondContact O-N 3.45Å; I688-V690 HydrophobicContact CG2-CG2 4.27Å; I688-V690 PolarHBondContact O-N 2.87Å
689A23.8Very low28.2Very low52 Ų52108 Ų10843%0.4357%0.57SS.*  trans-78.9102.8164.400000107.2R687 V691R687-A689 PolarHBondContact O-N 3.24Å; A689-V691 PolarHBondContact O-N 3.13Å
690V26.1Very low28.6Very low91 Ų91101.4 Ų101.455%0.55254%0.543SS*.  trans-64.8116.1168.5178.40000107.3I688 T692I688-V690 HydrophobicContact CG2-CG2 4.27Å; I688-V690 PolarHBondContact O-N 2.87Å; V690-T692 PolarHBondContact O-N 2.68Å
691V27.3Very low29.2Very low32 Ų3296.6 Ų96.619%0.19452%0.524CS..  trans-76.4103.2169.5177.80000107Y512 A689 C693Y512-V691 VanDerWaalsContact OH-CG1 3.28Å; Y512-V691 WeakPolarHBondContact OH-CG1 3.49Å; A689-V691 PolarHBondContact O-N 3.13Å; V691-C693 PolarHBondContact O-N 3.44Å; V691-C693 VanDerWaalsContact O-N 3.1Å
692T27.5Very low29.6Very low94 Ų9499.1 Ų99.158%0.57753%0.534SS*.  trans-72.6100.2168.853.90000108.4V690 K694V690-T692 PolarHBondContact O-N 2.68Å; T692-K694 VanDerWaalsContact C-N 3.29Å; T692-K694 PolarHBondContact O-N 2.99Å
693C30.1Very low30.3Very low80 Ų8096.9 Ų96.954%0.54153%0.526SS..  trans-66.491.7167.2-70.40000108.8V691V691-C693 PolarHBondContact O-N 3.44Å; V691-C693 VanDerWaalsContact O-N 3.1Å
694K27.2Very low30.6Very low198 Ų19896.7 Ų96.786%0.86153%0.527SS*.  trans-102.241.7163.8-104.8-159.4-177.6-174.60110.9T692T692-K694 VanDerWaalsContact C-N 3.29Å; T692-K694 PolarHBondContact O-N 2.99Å
695V31.1Very low31.1Very low123 Ų12396.6 Ų96.675%0.74552%0.523SS*.  trans-147.3108.2164.5-164.80000107
696K28.8Very low31.7Very low130 Ų13099.5 Ų99.557%0.56553%0.526SS*.  trans-56.6139.3163-83.4-180168.7-170.60107.5A700K696-A700 HydrophobicContact CB-CB 4.22Å; K696-A700 HydrophobicContact CD-CB 3.94Å; K696-A700 HydrophobicContact CG-CB 4.41Å
697P33Very low32.3Very low56 Ų56100.5 Ų100.536%0.36454%0.543SS..  trans-57144.8168.525.8-31.9000109.1S699 A700P697-S699 WeakPolarHBondContact CB-OG 3.17Å; P697-S699 WeakPolarHBondContact CG-OG 3.47Å; P697-S699 PolarHBondContact O-N 3.47Å; P697-A700 PolarHBondContact O-N 3.09Å
698P35.2Very low32.8Very low104 Ų10496 Ų9668%0.67554%0.535SS*.THydrogen-bonded Turntrans-57.4-10.7177.2-22.731.5000114.4A700 D701P698-A700 VanDerWaalsContact C-N 3.33Å; P698-D701 PolarHBondContact O-N 3.17Å
699S37.4Very low33.2Very low49 Ų4997.2 Ų97.234%0.34356%0.558SS.*THydrogen-bonded Turntrans-66.1-30.4172.950.90000113.2P697 D701 Q702 E703P697-S699 WeakPolarHBondContact CB-OG 3.17Å; P697-S699 WeakPolarHBondContact CG-OG 3.47Å; P697-S699 PolarHBondContact O-N 3.47Å; S699-D701 PolarHBondContact O-N 2.7Å; S699-Q702 PolarHBondContact O-N 2.99Å; S699-Q702 VanDerWaalsContact O-N 3.12Å; S699-E703 PolarHBondContact O-N 3.44Å
700A36.2Very low33.7Very low21 Ų21102.6 Ų102.617%0.17458%0.579CS.*Hα-helixtrans-68.7-23.2176.200000112.4K696 P697 P698K696-A700 HydrophobicContact CB-CB 4.22Å; K696-A700 HydrophobicContact CD-CB 3.94Å; K696-A700 HydrophobicContact CG-CB 4.41Å; P697-A700 PolarHBondContact O-N 3.09Å; P698-A700 VanDerWaalsContact C-N 3.33Å
701D37Very low34.1Very low85 Ų85105.4 Ų105.446%0.45559%0.59SS.*Hα-helixtrans-81.6-17.7174.8-64.2-29.1000112P698 S699 N705P698-D701 PolarHBondContact O-N 3.17Å; S699-D701 PolarHBondContact O-N 2.7Å; D701-N705 WeakPolarHBondContact O-CB 3.46Å; D701-N705 PolarHBondContact O-N 3.36Å; D701-N705 VanDerWaalsContact O-N 3.16Å; D701-N705 PolarHBondContact O-ND2 2.62Å
702Q37.6Very low34.5Very low137 Ų137111.8 Ų111.864%0.6461%0.611SS**Hα-helixtrans-82.4-40-179-110.6160.7-5.900112.3S699 N705 D706S699-Q702 PolarHBondContact O-N 2.99Å; S699-Q702 VanDerWaalsContact O-N 3.12Å; Q702-N705 PolarHBondContact O-N 3.23Å; Q702-D706 PolarHBondContact O-N 3.38Å
703E38Very low34.7Very low166 Ų166115.8 Ų115.878%0.77663%0.628SS**Hα-helixtrans-70.9-32.5173.4-68.3-169.9162.300112.6S699S699-E703 PolarHBondContact O-N 3.44Å
704E35.3Very low34.9Very low113 Ų113121.1 Ų121.153%0.52865%0.645SS.*Hα-helixtrans-72.5-28.9172.5-84.3-175.1-176.100112.9N708E704-N708 PolarHBondContact O-N 3.39Å
705N36.1Very low35.2Very low93 Ų93115.5 Ų115.550%0.49764%0.635SS.*Hα-helixtrans-75.5-30179.8-86-30.4000113.4D701 Q702D701-N705 WeakPolarHBondContact O-CB 3.46Å; D701-N705 PolarHBondContact O-N 3.36Å; D701-N705 VanDerWaalsContact O-N 3.16Å; D701-N705 PolarHBondContact O-ND2 2.62Å; Q702-N705 PolarHBondContact O-N 3.23Å
706D37Very low35.4Very low154 Ų154114.9 Ų114.982%0.82463%0.632SS**Hα-helixtrans-76.6-23.7175.7-79.5-18000112.6Q702Q702-D706 PolarHBondContact O-N 3.38Å
707A40.3Very low35.8Very low78 Ų78115.4 Ų115.465%0.64564%0.64SS**Hα-helixtrans-88.6-19.8-179.300000114.7
708N36.5Very low36Very low117 Ų117115.8 Ų115.863%0.62665%0.654SS**  trans-123.527.9-172.3-91.2-27.5000114.9E704 L710 N711E704-N708 PolarHBondContact O-N 3.39Å; N708-L710 PolarHBondContact O-N 3.21Å; N708-N711 PolarHBondContact O-N 2.93Å
709G35.2Very low36.4Very low68 Ų68116.6 Ų116.670%0.70166%0.657SS**THydrogen-bonded Turntrans-61.29.3-175.200000118.4
710L35.7Very low36.6Very low166 Ų166125 Ų12587%0.86968%0.682SS**THydrogen-bonded Turntrans-119.4-9.9178.9-119.384.4000116.7N708N708-L710 PolarHBondContact O-N 3.21Å
711N34.6Very low37.3Very low149 Ų149128.1 Ų128.180%0.79770%0.695SS**SBendtrans-119.57.8-170.9-81.4-20.8000116.3N708N708-N711 PolarHBondContact O-N 2.93Å
712R34.9Very low37.9Very low167 Ų167129.6 Ų129.663%0.6370%0.703SS**  trans-117.230.4-174.4-139-177.3-173.6-176.13.2116.3Q714R712-Q714 VanDerWaalsContact C-N 3.29Å
713L32.3Very low38.8Very low178 Ų178127.4 Ų127.493%0.93270%0.696SS**SBendtrans-84.97.7167.3-91.2160.9000114.1
714Q33.2Very low39.7Very low192 Ų192125.5 Ų125.590%0.89769%0.685SS**SBendtrans-129.27.3-174.7-80.9-172.5-21.500117.3R712R712-Q714 VanDerWaalsContact C-N 3.29Å
715A33.5Very low40.7Very low79 Ų79124.9 Ų124.965%0.65369%0.685SS**SBendtrans-133.816.7-169.600000118.3
716T35.6Very low42.1Very low111 Ų111126.9 Ų126.968%0.68169%0.685SS**  trans-135.849.3176.553.10000113.5
717L36.6Very low43.3Very low141 Ų141124.5 Ų124.574%0.73867%0.673SS**  trans-116.24.7177.8-112.7140.9000114.5
718G38.8Very low44.2Very low63 Ų63123.9 Ų123.965%0.64966%0.656SS**SBendtrans-107.1101.2174.800000110.1
719T42.9Very low45.6Very low122 Ų122121.5 Ų121.575%0.74865%0.645SS**SBendtrans151.9-11.2150.246.40000114.8
720R40.4Very low47.4Very low226 Ų226124.1 Ų124.185%0.85364%0.639SS**SBendtrans-95-17.7176.8-77-18085.1168.94.1115.3
721D50.9Low48.8Very low85 Ų85121 Ų12146%0.45562%0.622SS.*Hα-helixtrans-79.2-29.2-176.9-77.3-23.7000113.6L725D721-L725 HydrophobicContact CB-CD1 4.36Å; D721-L725 WeakPolarHBondContact O-CB 3.49Å; D721-L725 VanDerWaalsContact O-CD1 3.3Å; D721-L725 WeakPolarHBondContact O-CD1 3.48Å; D721-L725 PolarHBondContact O-N 3.13Å
722D51.5Low50.4Low117 Ų117114.3 Ų114.363%0.62659%0.588SS**Hα-helixtrans-75-28.7-174.3-75.1-34000114.4R726D722-R726 VanDerWaalsContact O-CB 3.28Å; D722-R726 WeakPolarHBondContact O-CB 3.46Å; D722-R726 PolarHBondContact O-N 3.44Å
723D54.5Low52.2Low90 Ų90111.7 Ų111.748%0.48159%0.587SS.*Hα-helixtrans-76.6-41.3175-74.9-24.7000110.6R726 D727D723-R726 PolarHBondContact O-N 2.75Å; D723-R726 IonicContact OD1-CZ 3.77Å; D723-R726 VanDerWaalsContact OD1-CZ 3.27Å; D723-R726 IonicContact OD1-NH1 3.08Å; D723-R726 IonicContact OD1-NH2 3.54Å; D723-R726 PolarHBondContact OD1-NH2 3.31Å; D723-D727 PolarHBondContact O-N 3.3Å
724F57.8Low54.1Low127 Ų127107 Ų10756%0.55757%0.574SS**Hα-helixtrans-64.3-45.9175.1177.5-100.9000111.9R726 D727 F728F724-R726 VanDerWaalsContact C-N 3.25Å; F724-R726 PolarHBondContact O-N 3.47Å; F724-D727 PolarHBondContact O-N 3.32Å; F724-F728 HydrophobicContact CE1-CG 4.49Å; F724-F728 HydrophobicContact CZ-CD2 4.32Å; F724-F728 HydrophobicContact CZ-CG 4.45Å; F724-F728 WeakPolarHBondContact O-CB 3.18Å; F724-F728 PolarHBondContact O-N 2.94Å
725L57.4Low55.8Low100 Ų100106.4 Ų106.452%0.52456%0.564SS.*Hα-helixtrans-60.9-36.2176.7-102.6109.6000112.2D721 V729D721-L725 HydrophobicContact CB-CD1 4.36Å; D721-L725 WeakPolarHBondContact O-CB 3.49Å; D721-L725 VanDerWaalsContact O-CD1 3.3Å; D721-L725 WeakPolarHBondContact O-CD1 3.48Å; D721-L725 PolarHBondContact O-N 3.13Å; L725-V729 WeakPolarHBondContact O-CB 3.49Å; L725-V729 WeakPolarHBondContact O-CG2 3.46Å; L725-V729 PolarHBondContact O-N 3.47Å
726R65.3Low57.5Low135 Ų135105.9 Ų105.951%0.50957%0.567SS.*Hα-helixtrans-68.2-46.5178.9-169.9-170.7-40.2164.916.2111.9D722 D723 F724 F728 Q730D722-R726 VanDerWaalsContact O-CB 3.28Å; D722-R726 WeakPolarHBondContact O-CB 3.46Å; D722-R726 PolarHBondContact O-N 3.44Å; D723-R726 PolarHBondContact O-N 2.75Å; D723-R726 IonicContact OD1-CZ 3.77Å; D723-R726 VanDerWaalsContact OD1-CZ 3.27Å; D723-R726 IonicContact OD1-NH1 3.08Å; D723-R726 IonicContact OD1-NH2 3.54Å; D723-R726 PolarHBondContact OD1-NH2 3.31Å; F724-R726 VanDerWaalsContact C-N 3.25Å; F724-R726 PolarHBondContact O-N 3.47Å; R726-F728 VanDerWaalsContact C-N 3.34Å; R726-Q730 WeakPolarHBondContact O-CG 3.33Å; R726-Q730 PolarHBondContact O-N 3.31Å
727D62.3Low59.5Low104 Ų104106.4 Ų106.456%0.55656%0.56SS**Hα-helixtrans-68.4-36.7178.4-72.1-9.2000111.3D723 F724 Q730 L731D723-D727 PolarHBondContact O-N 3.3Å; F724-D727 PolarHBondContact O-N 3.32Å; D727-Q730 PolarHBondContact O-N 3.09Å; D727-L731 WeakPolarHBondContact O-CB 3.34Å; D727-L731 PolarHBondContact O-N 3.05Å
728F59.3Low61.2Low65 Ų65102.4 Ų102.429%0.28554%0.544SS..Hα-helixtrans-68.7-39.3178.3-167-120.2000112.4F724 R726 L731 A732 L742 L746F724-F728 HydrophobicContact CE1-CG 4.49Å; F724-F728 HydrophobicContact CZ-CD2 4.32Å; F724-F728 HydrophobicContact CZ-CG 4.45Å; F724-F728 WeakPolarHBondContact O-CB 3.18Å; F724-F728 PolarHBondContact O-N 2.94Å; R726-F728 VanDerWaalsContact C-N 3.34Å; F728-L731 PolarHBondContact O-N 3.2Å; F728-A732 WeakPolarHBondContact O-CB 3.36Å; F728-A732 PolarHBondContact O-N 2.66Å; F728-L742 HydrophobicContact CD1-CD2 3.96Å; F728-L742 HydrophobicContact CE1-CD2 3.28Å; F728-L742 HydrophobicContact CE1-CG 4.4Å; F728-L742 HydrophobicContact CE2-CD2 4.24Å; F728-L742 HydrophobicContact CZ-CD2 3.44Å; F728-L742 VanDerWaalsContact CZ-CD2 3.44Å; F728-L746 HydrophobicContact CE1-CD1 4.17Å
729V65.9Low62.1Low67 Ų67106.4 Ų106.441%0.40654%0.543SS..Hα-helixtrans-69.9-37.8173.6169.40000111.7L725 L731 A732 N733L725-V729 WeakPolarHBondContact O-CB 3.49Å; L725-V729 WeakPolarHBondContact O-CG2 3.46Å; L725-V729 PolarHBondContact O-N 3.47Å; V729-L731 VanDerWaalsContact C-N 3.35Å; V729-A732 PolarHBondContact O-N 3.34Å; V729-N733 WeakPolarHBondContact O-CB 3.5Å; V729-N733 VanDerWaalsContact O-CG 3.25Å; V729-N733 PolarHBondContact O-N 3.1Å; V729-N733 PolarHBondContact O-ND2 2.88Å
730Q71.4Confident63.2Low122 Ų122106.3 Ų106.357%0.5753%0.534SS*.Hα-helixtrans-63.3-41.9173.9-79.2-176.91500111.9R726 D727 N733 A734R726-Q730 WeakPolarHBondContact O-CG 3.33Å; R726-Q730 PolarHBondContact O-N 3.31Å; D727-Q730 PolarHBondContact O-N 3.09Å; Q730-N733 PolarHBondContact O-N 3.16Å; Q730-A734 WeakPolarHBondContact O-CB 3.41Å; Q730-A734 PolarHBondContact O-N 3.41Å
731L66.4Low64.4Low100 Ų10098.9 Ų98.952%0.52451%0.511SS..Hα-helixtrans-64.5-44.4176.3-165.174.3000111.2D727 F728 V729 N733 A734 Y735D727-L731 WeakPolarHBondContact O-CB 3.34Å; D727-L731 PolarHBondContact O-N 3.05Å; F728-L731 PolarHBondContact O-N 3.2Å; V729-L731 VanDerWaalsContact C-N 3.35Å; L731-N733 PolarHBondContact O-N 2.82Å; L731-A734 WeakPolarHBondContact O-CB 3.23Å; L731-A734 PolarHBondContact O-N 3.43Å; L731-Y735 HydrophobicContact CD1-CD2 4.42Å; L731-Y735 HydrophobicContact CD1-CE2 4.01Å; L731-Y735 HydrophobicContact CG-CD2 4.34Å; L731-Y735 HydrophobicContact CG-CE2 4.37Å; L731-Y735 WeakPolarHBondContact O-CD2 3.35Å; L731-Y735 PolarHBondContact O-N 3.49Å
732A67.1Low64.9Low10 Ų1096.2 Ų96.28%0.08350%0.497CS..Hα-helixtrans-63.4-40.3178.500000112.9F728 V729 A734 Y735 G736 K737 L742F728-A732 WeakPolarHBondContact O-CB 3.36Å; F728-A732 PolarHBondContact O-N 2.66Å; V729-A732 PolarHBondContact O-N 3.34Å; A732-A734 VanDerWaalsContact C-N 3.34Å; A732-Y735 CarbonylContact O-C 3.58Å; A732-Y735 PolarHBondContact O-N 3.14Å; A732-G736 PolarHBondContact O-N 3.32Å; A732-K737 HydrophobicContact CB-CB 4.47Å; A732-K737 PolarHBondContact O-N 3.11Å; A732-L742 HydrophobicContact CB-CD1 3.44Å; A732-L742 VanDerWaalsContact CB-CD1 3.44Å; A732-L742 HydrophobicContact CB-CD2 3.92Å; A732-L742 HydrophobicContact CB-CG 4Å
733N72.4Confident65.4Low112 Ų11296.2 Ų96.260%0.59949%0.489SS*.Hα-helixtrans-64.4-38.6173.9-72.8-25000111.9V729 Q730 L731 Y735 G736V729-N733 WeakPolarHBondContact O-CB 3.5Å; V729-N733 VanDerWaalsContact O-CG 3.25Å; V729-N733 PolarHBondContact O-N 3.1Å; V729-N733 PolarHBondContact O-ND2 2.88Å; Q730-N733 PolarHBondContact O-N 3.16Å; L731-N733 PolarHBondContact O-N 2.82Å; N733-Y735 PolarHBondContact O-N 2.99Å; N733-G736 PolarHBondContact O-N 3.19Å
734A73.1Confident65.9Low79 Ų7997.8 Ų97.865%0.65349%0.493SS*.Hα-helixtrans-63.5-28177.600000113.1Q730 L731 A732Q730-A734 WeakPolarHBondContact O-CB 3.41Å; Q730-A734 PolarHBondContact O-N 3.41Å; L731-A734 WeakPolarHBondContact O-CB 3.23Å; L731-A734 PolarHBondContact O-N 3.43Å; A732-A734 VanDerWaalsContact C-N 3.34Å
735Y69Low66.1Low179 Ų17994.1 Ų94.170%0.70249%0.487SS*.THydrogen-bonded Turntrans-101.612177.4-73.3-82.4000113.8L731 A732 N733 K737L731-Y735 HydrophobicContact CD1-CD2 4.42Å; L731-Y735 HydrophobicContact CD1-CE2 4.01Å; L731-Y735 HydrophobicContact CG-CD2 4.34Å; L731-Y735 HydrophobicContact CG-CE2 4.37Å; L731-Y735 WeakPolarHBondContact O-CD2 3.35Å; L731-Y735 PolarHBondContact O-N 3.49Å; A732-Y735 CarbonylContact O-C 3.58Å; A732-Y735 PolarHBondContact O-N 3.14Å; N733-Y735 PolarHBondContact O-N 2.99Å; Y735-K737 PolarHBondContact O-N 3.47Å
736G69Low66.1Low69 Ų6993.1 Ų93.171%0.71148%0.481SS*.THydrogen-bonded Turntrans64.624.4175.900000114.4A732 N733A732-G736 PolarHBondContact O-N 3.32Å; N733-G736 PolarHBondContact O-N 3.19Å
737K77.9Confident65.7Low121 Ų12191.4 Ų91.453%0.52648%0.482SS..  trans-90.1136.7-179.7-66.6-63.9-174.5175.40110.8A732 Y735 D741A732-K737 HydrophobicContact CB-CB 4.47Å; A732-K737 PolarHBondContact O-N 3.11Å; Y735-K737 PolarHBondContact O-N 3.47Å; K737-D741 HydrophobicContact CD-CB 4.44Å
738S72.3Confident65.4Low57 Ų5793.1 Ų93.140%0.39949%0.485SS..  trans-78.7160.2179.175.30000110.9Q740 D741 L742S738-Q740 PolarHBondContact O-N 3.02Å; S738-Q740 VanDerWaalsContact O-N 3.16Å; S738-Q740 PolarHBondContact OG-N 3.35Å; S738-D741 WeakPolarHBondContact CB-OD2 3.31Å; S738-D741 PolarHBondContact N-OD2 3.3Å; S738-D741 PolarHBondContact O-N 3.24Å; S738-D741 VanDerWaalsContact O-N 3.14Å; S738-D741 VanDerWaalsContact OG-CG 3.22Å; S738-D741 PolarHBondContact OG-N 3.32Å; S738-D741 PolarHBondContact OG-OD2 2.62Å; S738-L742 PolarHBondContact O-N 3.12Å
739K57.8Low65.2Low147 Ų14795.3 Ų95.364%0.63950%0.499SS*.Hα-helixtrans-58.3-27.4175.1-163.7-178.1179.8-1750112.3Y743K739-Y743 HydrophobicContact CD-CE2 4.14Å; K739-Y743 WeakPolarHBondContact CE-OH 3.3Å; K739-Y743 HydrophobicContact CG-CD2 4.33Å; K739-Y743 HydrophobicContact CG-CE2 3.8Å; K739-Y743 WeakPolarHBondContact O-CD2 3.42Å; K739-Y743 PolarHBondContact O-N 3.04Å
740Q65.6Low64.4Low120 Ų12097.2 Ų97.256%0.56151%0.507SS*.Hα-helixtrans-71.5-41.4177.8-165.265.22000111.8S738 L742 Y743 E744S738-Q740 PolarHBondContact O-N 3.02Å; S738-Q740 VanDerWaalsContact O-N 3.16Å; S738-Q740 PolarHBondContact OG-N 3.35Å; Q740-L742 PolarHBondContact O-N 3.25Å; Q740-Y743 PolarHBondContact O-N 3.39Å; Q740-E744 PolarHBondContact O-N 3.39Å
741D66.3Low63.2Low70 Ų7098.3 Ų98.337%0.37452%0.516SS..Hα-helixtrans-62.3-28.4177.2-56.6-52.9000112.1K737 S738 A745K737-D741 HydrophobicContact CD-CB 4.44Å; S738-D741 WeakPolarHBondContact CB-OD2 3.31Å; S738-D741 PolarHBondContact N-OD2 3.3Å; S738-D741 PolarHBondContact O-N 3.24Å; S738-D741 VanDerWaalsContact O-N 3.14Å; S738-D741 VanDerWaalsContact OG-CG 3.22Å; S738-D741 PolarHBondContact OG-N 3.32Å; S738-D741 PolarHBondContact OG-OD2 2.62Å; D741-A745 PolarHBondContact O-N 2.98Å
742L61.1Low62.2Low29 Ų2999.9 Ų99.915%0.15252%0.521CS..Hα-helixtrans-74.4-39.4176.6-76.9160.5000112.7F728 A732 S738 Q740 A745 L746F728-L742 HydrophobicContact CD1-CD2 3.96Å; F728-L742 HydrophobicContact CE1-CD2 3.28Å; F728-L742 HydrophobicContact CE1-CG 4.4Å; F728-L742 HydrophobicContact CE2-CD2 4.24Å; F728-L742 HydrophobicContact CZ-CD2 3.44Å; F728-L742 VanDerWaalsContact CZ-CD2 3.44Å; A732-L742 HydrophobicContact CB-CD1 3.44Å; A732-L742 VanDerWaalsContact CB-CD1 3.44Å; A732-L742 HydrophobicContact CB-CD2 3.92Å; A732-L742 HydrophobicContact CB-CG 4Å; S738-L742 PolarHBondContact O-N 3.12Å; Q740-L742 PolarHBondContact O-N 3.25Å; L742-A745 PolarHBondContact O-N 3.23Å; L742-L746 PolarHBondContact O-N 3.39Å
743Y62.2Low61Low118 Ų118108.8 Ų108.846%0.46355%0.554SS.*Hα-helixtrans-66.8-40.4177.2-76.8-62.6000111.1K739 Q740 A745 L746 D747K739-Y743 HydrophobicContact CD-CE2 4.14Å; K739-Y743 WeakPolarHBondContact CE-OH 3.3Å; K739-Y743 HydrophobicContact CG-CD2 4.33Å; K739-Y743 HydrophobicContact CG-CE2 3.8Å; K739-Y743 WeakPolarHBondContact O-CD2 3.42Å; K739-Y743 PolarHBondContact O-N 3.04Å; Q740-Y743 PolarHBondContact O-N 3.39Å; Y743-A745 VanDerWaalsContact C-N 3.32Å; Y743-A745 PolarHBondContact O-N 3.03Å; Y743-L746 PolarHBondContact O-N 2.96Å; Y743-D747 WeakPolarHBondContact O-CB 3.44Å; Y743-D747 PolarHBondContact O-N 3.32Å
744E65.1Low59.3Low122 Ų122111.6 Ų111.657%0.5756%0.564SS**Hα-helixtrans-63.5-35.9175.7-71.2179.8-178.100112.7Q740 F748Q740-E744 PolarHBondContact O-N 3.39Å; E744-F748 WeakPolarHBondContact O-CB 3.34Å; E744-F748 PolarHBondContact O-N 3.48Å; E744-F748 VanDerWaalsContact O-N 3.12Å
745A61.2Low57.6Low50 Ų50114 Ų11441%0.41357%0.572SS.*Hα-helixtrans-71.6-35.1175.900000113.1D741 L742 Y743 I749D741-A745 PolarHBondContact O-N 2.98Å; L742-A745 PolarHBondContact O-N 3.23Å; Y743-A745 VanDerWaalsContact C-N 3.32Å; Y743-A745 PolarHBondContact O-N 3.03Å; A745-I749 WeakPolarHBondContact O-CG1 3.46Å; A745-I749 PolarHBondContact O-N 3.42Å
746L57.3Low55.9Low79 Ų79108.7 Ų108.741%0.41457%0.572SS.*Hα-helixtrans-72.2-39.8176.4-83.9161.4000111.9F728 L742 Y743 F748 I749 N750F728-L746 HydrophobicContact CE1-CD1 4.17Å; L742-L746 PolarHBondContact O-N 3.39Å; Y743-L746 PolarHBondContact O-N 2.96Å; L746-F748 VanDerWaalsContact C-N 3.34Å; L746-I749 PolarHBondContact O-N 2.94Å; L746-N750 PolarHBondContact O-N 3.05Å; L746-N750 VanDerWaalsContact O-N 3.1Å
747D57.9Low54.4Low99 Ų99111.5 Ų111.553%0.52958%0.578SS.*Hα-helixtrans-65-38.1175.3-76.1-18.4000111.2Y743 I749 N750 D751Y743-D747 WeakPolarHBondContact O-CB 3.44Å; Y743-D747 PolarHBondContact O-N 3.32Å; D747-I749 VanDerWaalsContact C-N 3.31Å; D747-I749 PolarHBondContact O-N 2.86Å; D747-N750 PolarHBondContact O-N 2.87Å; D747-D751 PolarHBondContact O-N 3.39Å; D747-D751 VanDerWaalsContact O-N 3.09Å
748F54.6Low52.2Low141 Ų141113.6 Ų113.662%0.61859%0.593SS**Hα-helixtrans-62.4-33.3174.8-173.3-94.9000113.8E744 L746E744-F748 WeakPolarHBondContact O-CB 3.34Å; E744-F748 PolarHBondContact O-N 3.48Å; E744-F748 VanDerWaalsContact O-N 3.12Å; L746-F748 VanDerWaalsContact C-N 3.34Å
749I55.4Low50.1Low110 Ų110122.6 Ų122.656%0.56462%0.618SS**Hα-helixtrans-77.5-36178.1-67.3168.7000110.9A745 L746 D747 Q752A745-I749 WeakPolarHBondContact O-CG1 3.46Å; A745-I749 PolarHBondContact O-N 3.42Å; L746-I749 PolarHBondContact O-N 2.94Å; D747-I749 VanDerWaalsContact C-N 3.31Å; D747-I749 PolarHBondContact O-N 2.86Å; I749-Q752 PolarHBondContact O-N 3.13Å
750N49.6Very low48.6Very low108 Ų108124.6 Ų124.658%0.57863%0.627SS**Hα-helixtrans-69.5-32.2178.6-112.6-6.7000112.8L746 D747 Q752 Y753L746-N750 PolarHBondContact O-N 3.05Å; L746-N750 VanDerWaalsContact O-N 3.1Å; D747-N750 PolarHBondContact O-N 2.87Å; N750-Q752 VanDerWaalsContact C-N 3.31Å; N750-Q752 PolarHBondContact O-N 3Å; N750-Y753 PolarHBondContact O-N 3.11Å
751D45.6Very low46.7Very low144 Ų144125 Ų12577%0.7764%0.638SS**THydrogen-bonded Turntrans-71.5-20.6177.2-86.4-13000113.8D747D747-D751 PolarHBondContact O-N 3.39Å; D747-D751 VanDerWaalsContact O-N 3.09Å
752Q44.9Very low44.7Very low134 Ų134126.8 Ų126.863%0.62666%0.656SS**THydrogen-bonded Turntrans-84.5-10.7177.5-73.5-157.2-4.200114.6I749 N750I749-Q752 PolarHBondContact O-N 3.13Å; N750-Q752 VanDerWaalsContact C-N 3.31Å; N750-Q752 PolarHBondContact O-N 3Å
753Y43.7Very low43Very low197 Ų197130 Ų13077%0.77368%0.681SS**  trans-135.967.1-175.5-79.6-89.3000112.4N750N750-Y753 PolarHBondContact O-N 3.11Å
754Q36.4Very low41.3Very low171 Ų171131.1 Ų131.180%0.79969%0.693SS**  trans-117.2125.7158.3-74.8-156.4-5.300112.3
755P36.7Very low39.6Very low128 Ų128134.8 Ų134.883%0.83170%0.704SS**PPolyproline II helixtrans-84126170.631.6-28.6000110.9
756G33.8Very low37.8Very low69 Ų69139 Ų13971%0.71172%0.719SS**PPolyproline II helixtrans-71.7162177.500000114.5
757P36.1Very low36.3Very low127 Ų127139.8 Ų139.883%0.82573%0.731SS**PPolyproline II helixtrans-87.3143.8-167.133.3-33.3000114.6
758I32.7Very low34.8Very low166 Ų166140 Ų14085%0.85174%0.74SS**PPolyproline II helixtrans-73.2122173-61.8167.7000110
759R27.6Very low33.4Very low245 Ų245141 Ų14193%0.92575%0.747SS**  trans-110.3132.4163-84.3-172.4179.9-178.51.5111.1
760K27.5Very low32Very low189 Ų189142.8 Ų142.882%0.82275%0.753SS**  trans-79.5162.1175.3-70.5178.1174.7177.10111.8
761T25.8Very low30.8Very low128 Ų128144.6 Ų144.679%0.78576%0.76SS**  trans95.796.9158.776.40000119.7
762S24Very low30.1Very low108 Ų108143.4 Ų143.476%0.75576%0.761SS**  59.2129.3121.465.40000122.8
763S25.5Very low29.2Very low97 Ų97144.9 Ų144.968%0.67877%0.772SS**  107.4119.2127.7129.90000119.7
764I27Very low28.5Very low141 Ų141139.7 Ų139.772%0.72377%0.77SS**  trans86.8114.5130.1-64.2173.8000118.9
765Y27.4Very low28.2Very low200 Ų200137.4 Ų137.478%0.78477%0.77SS**  trans59114151.4-77.3-105.3000120
766D25.2Very low28.1Very low137 Ų137135.5 Ų135.573%0.73377%0.765SS**  81.1105.681.7-152.213.3000111.1
767S25.7Very low28.2Very low97 Ų97137.3 Ų137.368%0.67876%0.764SS**  169.7136.284.941.40000106.3
768S25Very low27.7Very low103 Ų103138.3 Ų138.372%0.7276%0.761SS**  175.5136.980.736.30000111.2
769H26.6Very low27.4Very low162 Ų162134.8 Ų134.875%0.7576%0.757SS**  trans87.797.9151.2-65.1-50.4000124.2
770H25.9Very low27.3Very low148 Ų148133.7 Ų133.769%0.68575%0.753SS**  70.2100.1124.7-71.5-54.2000123.6
771I24.7Very low27.3Very low145 Ų145131 Ų13174%0.74475%0.747SS**  42.7143.5104.5-58.4176.5000118.1
772P29.5Very low27.2Very low119 Ų119133.3 Ų133.377%0.77375%0.751SS**  cis-135.2164.316.317.58.7000118.8
773L25.9Very low27.2Very low165 Ų165131.9 Ų131.986%0.86475%0.753SS**  trans-76.4150159.5-92.2102.4000114
774A30.4Very low27.6Very low89 Ų89132.7 Ų132.774%0.73676%0.756SS**  trans69.7155.1143.700000118.5
775P30Very low27.4Very low123 Ų123131.9 Ų131.980%0.79976%0.758SS**  cis-140.3177.621.139.8-18.9000116.9
776A33.2Very low27.3Very low87 Ų87130.4 Ų130.472%0.71976%0.76SS**  trans-63.2155.7154.900000109.6
777P36Very low27.4Very low107 Ų107131.8 Ų131.870%0.69577%0.766SS**  -163.7-175.659.241.8-16.9000118
778I26.6Very low27.5Very low149 Ų149132.5 Ų132.576%0.76477%0.771SS**  trans57.3129.9150.7-60.8151.9000122.5
779A26Very low27.6Very low92 Ų92133 Ų13376%0.7677%0.771SS**  trans-173.9124.5132.900000109.7
780R25.7Very low27.8Very low222 Ų222131 Ų13184%0.83877%0.773SS**  71.811265.9-81.8-167.7176-174.10.6116.6
781N26.9Very low27.9Very low133 Ų133130.1 Ų130.171%0.71178%0.781SS**  trans66.1126.1131.3-76.1-3.6000124.6
782M24.8Very low28Very low176 Ų176127.9 Ų127.987%0.86778%0.783SS**  69.1108.1126.2-62.9-129-165.100123.2
783G22.7Very low27.9Very low77 Ų77131.9 Ų131.979%0.79479%0.789SS**  trans75.4170.8132.900000120.3
784P33.3Very low28.1Very low114 Ų114129.8 Ų129.874%0.7479%0.785SS**  cis-127.7-172.9-36.732.8-13.1000112.9
785T24Very low27.9Very low125 Ų125131.3 Ų131.377%0.76779%0.788SS**  trans80.2142.3167.275.80000115.8
786M25.8Very low27.6Very low169 Ų169130.7 Ų130.783%0.83379%0.786SS**  cis-149.6147.930.8-74.7-81.7-99.400111.2
787I27.3Very low27.2Very low166 Ų166136 Ų13685%0.85180%0.796SS**  trans-65.8139.4168-65.6162.6000109.4
788S27.3Very low26.7Very low111 Ų111138 Ų13878%0.77680%0.8SS**  trans-147.9146.4160-78.80000111.6
789P27.8Very low26.6Very low113 Ų113136.9 Ų136.973%0.73480%0.803SS**PPolyproline II helixtrans-89.8166.8-152.335.9-35.2000114.2
790P29.1Very low26.5Very low120 Ų120137 Ų13778%0.77980%0.798SS**PPolyproline II helixtrans-73.3145.8178.429.8-33.3000112.1
791P29.4Very low26.9Very low131 Ų131132 Ų13285%0.85179%0.794SS**PPolyproline II helixtrans-73.1145.2177.627.8-30.8000112.5
792A26.3Very low26.7Very low97 Ų97132.7 Ų132.780%0.80280%0.798SS**PPolyproline II helixtrans-68.5147-17000000115.1
793K27.1Very low26.7Very low203 Ų203132.1 Ų132.188%0.88379%0.793SS**PPolyproline II helixtrans-70136.4164.8-69.7176.1177.1176.40110.5
794P29.2Very low26.7Very low121 Ų121134.5 Ų134.579%0.78679%0.792SS**PPolyproline II helixtrans-85.6153.6160.528.4-23.7000112
795P26.5Very low26.3Very low122 Ų122135.9 Ų135.979%0.79280%0.799SS**PPolyproline II helixtrans-87.8156.3-160.634.8-35.1000114.6
796S23.7Very low26.3Very low110 Ų110137.5 Ų137.577%0.76980%0.801SS**PPolyproline II helixtrans-54.6136.4167.449.50000114
797Q26.3Very low26.3Very low197 Ų197134.4 Ų134.492%0.92179%0.794SS**  trans-124.8116.1152.4-78.4-173.2-1300109.6
798L24Very low26.1Very low149 Ų149134 Ų13478%0.7879%0.788SS**  trans-71.2159.5163-82.8148000110.1
799P25.3Very low25.8Very low127 Ų127137.5 Ų137.583%0.82579%0.794SS**  -129.7144.1115.618.8-0.3000113
800S24.4Very low25.6Very low95 Ų95141.8 Ų141.866%0.66480%0.797SS**  trans-83.6-166.9174.9-51.60000111.6
801P32.9Very low25.4Very low115 Ų115143.3 Ų143.375%0.74780%0.799SS**  -120.5163.3-8135.2-19.1000111.4
802N23.3Very low25.1Very low149 Ų149143.7 Ų143.780%0.79779%0.794SS**  trans-147.9116.1156.8-103.3-21000112.7
803Q24Very low25Very low163 Ų163142.1 Ų142.176%0.76279%0.787SS**  trans64.196.8140.8-65.5-1785.200120.4
804T23.7Very low24.9Very low128 Ų128140.2 Ų140.279%0.78578%0.784SS**  39.5106119.747.30000119
805T24.6Very low24.7Very low142 Ų142139.6 Ų139.687%0.87178%0.78SS**  -160.4109.5125.2-5.60000110.8
806I23.4Very low24.5Very low160 Ų160141.2 Ų141.282%0.82178%0.779SS**  trans-89.3141.1161.4-64166.8000106.3
807P25.8Very low24.6Very low104 Ų104143.6 Ų143.668%0.67578%0.782SS**  -139.4133.2117.118.33.5000115
808H24Very low24.4Very low156 Ų156142.7 Ų142.772%0.72277%0.771SS**  trans66.3103.1137.2-67.5-66.8000121.2
809M22.2Very low24.4Very low186 Ų186142 Ų14292%0.91676%0.764SS**  trans-60.4125.4146.2-60.2-161.691.200109.9
810Y23.5Very low24.3Very low202 Ų202145.4 Ų145.479%0.79277%0.769SS**  trans-102.5106.8157-101.9-85.5000109.2N812Y810-N812 PolarHBondContact O-N 3.32Å
811N23.5Very low24.3Very low153 Ų153147.7 Ų147.782%0.81877%0.768SS**  trans-70.9107.6162.5-168.826.2000107.3
812N23.8Very low23.9Very low139 Ų139151.3 Ų151.374%0.74378%0.775SS**  trans-115.197.4168.4-88.6-3.7000108.9Y810Y810-N812 PolarHBondContact O-N 3.32Å
813G23.4Very low24Very low63 Ų63152.8 Ų152.865%0.64978%0.777SS**PPolyproline II helixtrans-57.7141.5165.100000110.8P815G813-P815 WeakPolarHBondContact O-CD 3.34Å
814I25Very low24Very low163 Ų163152.9 Ų152.984%0.83678%0.778SS**PPolyproline II helixtrans-70.1119.9172.3-62.3168.3000107.7
815P25.3Very low24Very low108 Ų108157.6 Ų157.670%0.70178%0.781SS**PPolyproline II helixtrans-80.7120.5164.9-2.321.4000108.6G813 I817G813-P815 WeakPolarHBondContact O-CD 3.34Å; P815-I817 PolarHBondContact O-N 2.66Å
816M23.5Very low23.9Very low156 Ų156159.9 Ų159.977%0.76878%0.779SS**PPolyproline II helixtrans-54.1123159.8-71.8-91.3-78.500109.6Y818M816-Y818 HydrophobicContact CE-CD2 4.31Å; M816-Y818 HydrophobicContact CE-CE2 3.98Å
817I24.1Very low24Very low160 Ų160158.9 Ų158.982%0.82178%0.776SS**  trans-124.9111.7159.9-63.4-179.3000107.1P815P815-I817 PolarHBondContact O-N 2.66Å
818Y23.6Very low24.2Very low179 Ų179168.5 Ų168.570%0.70280%0.801SS**  trans-72.6143.4167.7-107-100.3000110.2M816M816-Y818 HydrophobicContact CE-CD2 4.31Å; M816-Y818 HydrophobicContact CE-CE2 3.98Å
819E23.8Very low24.2Very low135 Ų135169.1 Ų169.163%0.63181%0.805SS**  trans48.3116.9149-74.4179.2140.100120.9H821E819-H821 IonicContact OE1-CE1 3.27Å
820H23.7Very low24.3Very low198 Ų198168.2 Ų168.292%0.91780%0.799SS**  -137.8122.2121.6-112.3-62.8000110.6
821H24.2Very low24.3Very low143 Ų143166.3 Ų166.366%0.66280%0.799SS**  trans-53135.1170.3-80.914000112.7E819E819-H821 IonicContact OE1-CE1 3.27Å
822Q23.8Very low24.4Very low191 Ų191167.1 Ų167.189%0.89380%0.798SS**  trans-144.7106.9139.8-116.6174.411.900109.9Q824Q822-Q824 PolarHBondContact O-N 3.48Å
823Q24.3Very low24.4Very low179 Ų179168.9 Ų168.984%0.83680%0.801SS**  trans-61.6124166.3-76.5161.8-37.300109.6
824Q25.2Very low24.5Very low165 Ų165175.9 Ų175.977%0.77181%0.811SS**  trans-133.4108.8148.1-76.9-169.5-9.100108.7Q822Q822-Q824 PolarHBondContact O-N 3.48Å
825R22.4Very low24.5Very low227 Ų227176.9 Ų176.986%0.85781%0.81SS**  trans-55135159.3-78.1179.3171.7174.3-3.6108.6
826F24.1Very low24.4Very low191 Ų191182.2 Ų182.284%0.83882%0.818SS**  trans-139.3121.6143.4-89-76.6000109.2
827D24.8Very low24.5Very low139 Ų139184.3 Ų184.374%0.74382%0.822SS**  trans-63.7125.4165.7-68.5-52.3000109.7
828Y29.8Very low24.5Very low305 Ų305186.5 Ų186.5100%1.19682%0.822SS**  trans155.30138.1-94.3-74.7000111.7

Retrieved 828 of 828 residues in 847.4 ms (Link to these results)

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