A0A087WTU1_HUMAN Loading...

Leucine-rich repeat-containing protein 41

AlphaFold DB , UniProt , Accession A0A087WTU1, Species HUMAN (Homo sapiens, Human), Gene LRRC41, Length 620 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
1M34.2Very low40.2Very low228 Ų228144.4 Ų144.4100%1.12377%0.77SS**  0870-70.2176.7171.300110.3
2K40.4Very low41.3Very low211 Ų211143 Ų14392%0.91777%0.771SS**  trans-15683.5167.1-88.7-164.6178.4-179.20108.7
3T37.8Very low43.4Very low110 Ų110137.3 Ų137.368%0.67575%0.748SS**  trans-134.7131.2161.136.40000106.5Y304T3-Y304 PolarHBondContact OG1-OH 2.85Å
4R35.4Very low45.8Very low242 Ų242138.3 Ų138.391%0.91374%0.735SS**PPolyproline II helixtrans-79.7148170-97179.7170.5169-4.6107.9
5P39.3Very low48.2Very low87 Ų87138.9 Ų138.957%0.56572%0.723SS**PPolyproline II helixtrans-58.1150.6164.4-20.232.7000111
6S40Very low50.2Low104 Ų104132.3 Ų132.373%0.72770%0.696SS**PPolyproline II helixtrans-59.5143.6174.137.70000111.5L8S6-L8 PolarHBondContact O-N 3.03Å
7S43.6Very low52.2Low125 Ų125132.5 Ų132.587%0.87469%0.689SS**THydrogen-bonded Turntrans-77.621-164560000116
8L39.9Very low54Low163 Ų163130.9 Ų130.985%0.85368%0.677SS**THydrogen-bonded Turntrans-107.5-11.8-173.5-85159.7000114.6S6S6-L8 PolarHBondContact O-N 3.03Å
9E39.2Very low55.8Low151 Ų151125.4 Ų125.471%0.70665%0.647SS**SBendtrans-126.8116.2159.8-72.1-169.3163.200109.5V11E9-V11 HydrophobicContact CB-CG2 4.12Å; E9-V11 PolarHBondContact O-N 3.25Å
10S41.3Very low57.4Low112 Ų112121.4 Ų121.478%0.78363%0.626SS**  trans-74.779.2169.660.40000109.5T12S10-T12 PolarHBondContact O-N 3.09Å
11V51.1Low58.7Low55 Ų55117.7 Ų117.733%0.33361%0.613SS.*  trans-68.482.3174-172.20000108.7E9 C13 W14E9-V11 HydrophobicContact CB-CG2 4.12Å; E9-V11 PolarHBondContact O-N 3.25Å; V11-C13 PolarHBondContact O-N 3.28Å; V11-W14 HydrophobicContact CB-CB 4.33Å; V11-W14 HydrophobicContact CG1-CB 4.17Å; V11-W14 PolarHBondContact O-N 3.18Å
12T53.8Low61.2Low128 Ų128108.4 Ų108.479%0.78557%0.567SS**THydrogen-bonded Turntrans-52.1-24.4-17748.40000113.2S10S10-T12 PolarHBondContact O-N 3.09Å
13C67.9Low63.6Low69 Ų6998.4 Ų98.447%0.46652%0.523SS..THydrogen-bonded Turntrans-10917.2-178.9-64.30000115V11 R15 A16 K17V11-C13 PolarHBondContact O-N 3.28Å; C13-R15 PolarHBondContact O-N 3.37Å; C13-R15 VanDerWaalsContact O-N 3.15Å; C13-A16 HydrophobicContact CB-CB 4.37Å; C13-A16 WeakPolarHBondContact O-CB 3.48Å; C13-A16 PolarHBondContact O-N 3.31Å; C13-K17 PolarHBondContact O-N 3.5Å
14W77.5Confident65.9Low151 Ų15194 Ų9457%0.57250%0.497SS*.Hα-helixtrans-53.4-39.9-176.974.8-94.3000112.7V11 F18V11-W14 HydrophobicContact CB-CB 4.33Å; V11-W14 HydrophobicContact CG1-CB 4.17Å; V11-W14 PolarHBondContact O-N 3.18Å; W14-F18 VanDerWaalsContact O-CB 3.32Å; W14-F18 WeakPolarHBondContact O-CB 3.49Å; W14-F18 PolarHBondContact O-N 2.78Å
15R80.9Confident68.2Low147 Ų14786.2 Ų86.256%0.55547%0.471SS*.Hα-helixtrans-65.7-39.6177.6-176.9-177.5175.5111.91.8111.8C13 M19C13-R15 PolarHBondContact O-N 3.37Å; C13-R15 VanDerWaalsContact O-N 3.15Å; R15-M19 WeakPolarHBondContact O-CG 3.23Å; R15-M19 PolarHBondContact O-N 3.46Å
16A81.2Confident70.4Confident34 Ų3482.9 Ų82.928%0.28145%0.449SS..Hα-helixtrans-67.5-49.7177.800000110.6C13 F18 M19 E20C13-A16 HydrophobicContact CB-CB 4.37Å; C13-A16 WeakPolarHBondContact O-CB 3.48Å; C13-A16 PolarHBondContact O-N 3.31Å; A16-F18 VanDerWaalsContact C-N 3.29Å; A16-F18 PolarHBondContact O-N 2.95Å; A16-M19 PolarHBondContact O-N 2.78Å; A16-M19 VanDerWaalsContact O-N 3.11Å; A16-E20 WeakPolarHBondContact O-CB 3.41Å; A16-E20 PolarHBondContact O-N 2.78Å
17K83.1Confident72.6Confident136 Ų13678.3 Ų78.359%0.59142%0.416SS*.Hα-helixtrans-55.5-43174.7-69.9-172.2174.9-174.80112C13 E20 A21C13-K17 PolarHBondContact O-N 3.5Å; K17-E20 PolarHBondContact O-N 3.02Å; K17-A21 WeakPolarHBondContact O-CB 3.43Å; K17-A21 PolarHBondContact O-N 2.88Å
18F86Confident74.4Confident104 Ų10477.5 Ų77.546%0.45639%0.394SS..Hα-helixtrans-61.7-47.4175174.6-93.2000112.3W14 A16 E20 A21 F22W14-F18 VanDerWaalsContact O-CB 3.32Å; W14-F18 WeakPolarHBondContact O-CB 3.49Å; W14-F18 PolarHBondContact O-N 2.78Å; A16-F18 VanDerWaalsContact C-N 3.29Å; A16-F18 PolarHBondContact O-N 2.95Å; F18-E20 VanDerWaalsContact C-N 3.34Å; F18-E20 PolarHBondContact O-N 3.29Å; F18-A21 PolarHBondContact O-N 3.01Å; F18-F22 HydrophobicContact CE1-CB 4.43Å; F18-F22 WeakPolarHBondContact O-CB 3.49Å; F18-F22 PolarHBondContact O-N 2.72Å
19M88.3Confident76.3Confident25 Ų2572.3 Ų72.312%0.12338%0.38CS..Hα-helixtrans-66.9-35.1-179.4-66.1-65.8-76.800112R15 A16 F23 H49 S50 H53R15-M19 WeakPolarHBondContact O-CG 3.23Å; R15-M19 PolarHBondContact O-N 3.46Å; A16-M19 PolarHBondContact O-N 2.78Å; A16-M19 VanDerWaalsContact O-N 3.11Å; M19-F23 WeakPolarHBondContact O-CB 3.45Å; M19-F23 PolarHBondContact O-N 3.01Å; M19-H49 WeakPolarHBondContact CE-O 3.42Å; M19-S50 WeakPolarHBondContact O-CB 3.22Å; M19-H53 HydrophobicContact CB-CB 3.85Å
20E87Confident78.3Confident45 Ų4569.4 Ų69.421%0.2137%0.373CS..Hα-helixtrans-69.5-43176.3-178.1166.8-128.900112.6A16 K17 F18 S24 V54 R55 Q56A16-E20 WeakPolarHBondContact O-CB 3.41Å; A16-E20 PolarHBondContact O-N 2.78Å; K17-E20 PolarHBondContact O-N 3.02Å; F18-E20 VanDerWaalsContact C-N 3.34Å; F18-E20 PolarHBondContact O-N 3.29Å; E20-S24 WeakPolarHBondContact O-CB 3.43Å; E20-S24 PolarHBondContact O-N 2.91Å; E20-S24 VanDerWaalsContact O-N 3.07Å; E20-S24 PolarHBondContact O-OG 3.31Å; E20-V54 HydrophobicContact CG-CG1 4.47Å; E20-R55 PolarHBondContact OE1-N 3.12Å; E20-Q56 PolarHBondContact OE1-N 3.48Å
21A85.8Confident80.1Confident44 Ų4467.3 Ų67.336%0.36435%0.352SS..Hα-helixtrans-63.2-46.8171.400000111.2K17 F18 F23 S24 H25K17-A21 WeakPolarHBondContact O-CB 3.43Å; K17-A21 PolarHBondContact O-N 2.88Å; F18-A21 PolarHBondContact O-N 3.01Å; A21-F23 PolarHBondContact O-N 2.93Å; A21-S24 WeakPolarHBondContact O-CB 3.27Å; A21-S24 PolarHBondContact O-N 3.39Å; A21-H25 WeakPolarHBondContact O-CB 3.45Å; A21-H25 PolarHBondContact O-CD2 2.82Å; A21-H25 PolarHBondContact O-N 2.9Å
22F86.8Confident81.3Confident34 Ų3469.1 Ų69.115%0.14936%0.36CS..Hα-helixtrans-58.7-47.3177.3177.4-104.2000111.8F18 S24 H25 V26 I31 P46F18-F22 HydrophobicContact CE1-CB 4.43Å; F18-F22 WeakPolarHBondContact O-CB 3.49Å; F18-F22 PolarHBondContact O-N 2.72Å; F22-S24 VanDerWaalsContact C-N 3.32Å; F22-S24 PolarHBondContact O-N 3.37Å; F22-H25 PolarHBondContact O-N 3.07Å; F22-V26 HydrophobicContact CD1-CG2 4.4Å; F22-V26 HydrophobicContact CD2-CG2 4.22Å; F22-V26 HydrophobicContact CE1-CG2 4.07Å; F22-V26 HydrophobicContact CE2-CG2 3.85Å; F22-V26 HydrophobicContact CG-CG2 4.48Å; F22-V26 HydrophobicContact CZ-CG2 3.78Å; F22-V26 VanDerWaalsContact O-CG2 3.31Å; F22-V26 WeakPolarHBondContact O-CG2 3.43Å; F22-V26 PolarHBondContact O-N 3.33Å; F22-I31 HydrophobicContact CD2-CD1 4.15Å; F22-P46 HydrophobicContact CE1-CB 3.72Å; F22-P46 HydrophobicContact CZ-CB 3.95Å
23F89.1Confident82.2Confident0 Ų063.9 Ų63.90%033%0.327CS..Hα-helixtrans-52.9-50.7173.1-177.6-85.4000111.4M19 A21 H25 V26 L27 L47 S50 V54 L57 L69 V77 L81M19-F23 WeakPolarHBondContact O-CB 3.45Å; M19-F23 PolarHBondContact O-N 3.01Å; A21-F23 PolarHBondContact O-N 2.93Å; F23-H25 VanDerWaalsContact C-N 3.31Å; F23-H25 PolarHBondContact O-N 3.27Å; F23-V26 PolarHBondContact O-N 2.89Å; F23-L27 HydrophobicContact CE1-CB 4.43Å; F23-L27 HydrophobicContact CE1-CD2 3.82Å; F23-L27 HydrophobicContact CZ-CD2 4.43Å; F23-L27 WeakPolarHBondContact O-CB 3.21Å; F23-L27 PolarHBondContact O-N 3.48Å; F23-L47 HydrophobicContact CD2-CB 4.37Å; F23-L47 HydrophobicContact CD2-CD2 3.74Å; F23-L47 HydrophobicContact CE2-CB 4.01Å; F23-L47 HydrophobicContact CE2-CD2 3.69Å; F23-L47 HydrophobicContact CE2-CG 4.45Å; F23-L47 HydrophobicContact CG-CD2 4.24Å; F23-L47 HydrophobicContact CZ-CD2 4.16Å; F23-S50 WeakPolarHBondContact CD2-OG 3.41Å; F23-V54 HydrophobicContact CB-CG2 3.7Å; F23-V54 HydrophobicContact CD1-CG2 3.74Å; F23-V54 HydrophobicContact CD2-CG2 3.94Å; F23-V54 HydrophobicContact CE1-CG2 4.39Å; F23-V54 HydrophobicContact CG-CG2 3.5Å; F23-L57 HydrophobicContact CD1-CD1 4.39Å; F23-L57 HydrophobicContact CE1-CD1 3.8Å; F23-L69 HydrophobicContact CZ-CD2 3.89Å; F23-V77 HydrophobicContact CE2-CG1 3.65Å; F23-V77 HydrophobicContact CZ-CG1 4.07Å; F23-L81 HydrophobicContact CZ-CD1 3.9Å; F23-L81 HydrophobicContact CZ-CD2 4.32Å
24S85.8Confident82.3Confident18 Ų1864.9 Ų64.913%0.12634%0.336CS..Hα-helixtrans-61.9-38.2-179-58.30000112.4E20 A21 F22 R28E20-S24 WeakPolarHBondContact O-CB 3.43Å; E20-S24 PolarHBondContact O-N 2.91Å; E20-S24 VanDerWaalsContact O-N 3.07Å; E20-S24 PolarHBondContact O-OG 3.31Å; A21-S24 WeakPolarHBondContact O-CB 3.27Å; A21-S24 PolarHBondContact O-N 3.39Å; F22-S24 VanDerWaalsContact C-N 3.32Å; F22-S24 PolarHBondContact O-N 3.37Å; S24-R28 WeakPolarHBondContact O-CB 3.32Å; S24-R28 WeakPolarHBondContact O-CD 3.41Å; S24-R28 WeakPolarHBondContact O-CG 3.25Å; S24-R28 PolarHBondContact O-N 2.82Å; S24-R28 VanDerWaalsContact O-N 3.15Å
25H85.3Confident81.8Confident79 Ų7962.1 Ų62.137%0.36634%0.339SS..Hα-helixtrans-74.2-34.5179.1-80.7-65.8000113.7A21 F22 F23 G29 T30 I31A21-H25 WeakPolarHBondContact O-CB 3.45Å; A21-H25 PolarHBondContact O-CD2 2.82Å; A21-H25 PolarHBondContact O-N 2.9Å; F22-H25 PolarHBondContact O-N 3.07Å; F23-H25 VanDerWaalsContact C-N 3.31Å; F23-H25 PolarHBondContact O-N 3.27Å; H25-G29 PolarHBondContact O-N 3.43Å; H25-T30 VanDerWaalsContact CA-OG1 3.23Å; H25-T30 WeakPolarHBondContact CA-OG1 3.5Å; H25-T30 WeakPolarHBondContact CB-OG1 3.29Å; H25-T30 PolarHBondContact ND1-OG1 2.86Å; H25-T30 PolarHBondContact O-N 3.16Å; H25-T30 PolarHBondContact O-OG1 3.42Å; H25-I31 HydrophobicContact CB-CB 4.49Å; H25-I31 HydrophobicContact CB-CD1 3.52Å; H25-I31 HydrophobicContact CB-CG1 3.85Å; H25-I31 PolarHBondContact O-N 3.25Å
26V85.5Confident81.4Confident17 Ų1758.3 Ų58.310%0.10333%0.33CS..Hα-helixtrans-69-48.7173.4174.60000110.2F22 F23 R28 G29 I31 V33 L47F22-V26 HydrophobicContact CD1-CG2 4.4Å; F22-V26 HydrophobicContact CD2-CG2 4.22Å; F22-V26 HydrophobicContact CE1-CG2 4.07Å; F22-V26 HydrophobicContact CE2-CG2 3.85Å; F22-V26 HydrophobicContact CG-CG2 4.48Å; F22-V26 HydrophobicContact CZ-CG2 3.78Å; F22-V26 VanDerWaalsContact O-CG2 3.31Å; F22-V26 WeakPolarHBondContact O-CG2 3.43Å; F22-V26 PolarHBondContact O-N 3.33Å; F23-V26 PolarHBondContact O-N 2.89Å; V26-R28 PolarHBondContact O-N 2.97Å; V26-G29 PolarHBondContact O-N 3.13Å; V26-I31 HydrophobicContact CG2-CB 4.41Å; V26-I31 HydrophobicContact CG2-CG2 4.49Å; V26-V33 HydrophobicContact CB-CG2 4.21Å; V26-V33 HydrophobicContact CG1-CG2 3.73Å; V26-V33 HydrophobicContact CG2-CG2 3.46Å; V26-V33 VanDerWaalsContact CG2-CG2 3.46Å; V26-L47 HydrophobicContact CB-CD2 3.98Å; V26-L47 HydrophobicContact CG1-CD2 3.72Å; V26-L47 HydrophobicContact CG1-CG 3.93Å
27L85.8Confident80.7Confident8 Ų867.8 Ų67.84%0.04236%0.358CS..Hα-helixtrans-63.1-26.2179.1-17664.8000113.6F23 G29 L47 L57 E68 L69F23-L27 HydrophobicContact CE1-CB 4.43Å; F23-L27 HydrophobicContact CE1-CD2 3.82Å; F23-L27 HydrophobicContact CZ-CD2 4.43Å; F23-L27 WeakPolarHBondContact O-CB 3.21Å; F23-L27 PolarHBondContact O-N 3.48Å; L27-G29 VanDerWaalsContact C-N 3.31Å; L27-L47 HydrophobicContact CB-CD2 4.29Å; L27-L57 HydrophobicContact CD2-CD1 3.78Å; L27-E68 HydrophobicContact CD1-CB 4.06Å; L27-E68 HydrophobicContact CD1-CG 4.02Å; L27-L69 HydrophobicContact CD1-CD1 4.48Å; L27-L69 HydrophobicContact CD1-CD2 4.09Å; L27-L69 HydrophobicContact CD1-CG 3.9Å; L27-L69 HydrophobicContact CD2-CD1 3.82Å; L27-L69 HydrophobicContact CD2-CD2 4.44Å; L27-L69 HydrophobicContact CD2-CG 4.14Å
28R80.9Confident79.9Confident107 Ų10771.2 Ų71.240%0.40437%0.367SS..THydrogen-bonded Turntrans-84.6-1.6173.2-70.5172.3-173.7161.83113.7S24 V26 T30S24-R28 WeakPolarHBondContact O-CB 3.32Å; S24-R28 WeakPolarHBondContact O-CD 3.41Å; S24-R28 WeakPolarHBondContact O-CG 3.25Å; S24-R28 PolarHBondContact O-N 2.82Å; S24-R28 VanDerWaalsContact O-N 3.15Å; V26-R28 PolarHBondContact O-N 2.97Å; R28-T30 HydrophobicContact CB-CG2 4Å; R28-T30 PolarHBondContact O-N 2.98Å; R28-T30 VanDerWaalsContact O-N 3.15Å
29G79.8Confident79Confident55 Ų5568.5 Ų68.557%0.56736%0.357SS*.THydrogen-bonded Turntrans66.67-172.600000115H25 V26 L27 I31H25-G29 PolarHBondContact O-N 3.43Å; V26-G29 PolarHBondContact O-N 3.13Å; L27-G29 VanDerWaalsContact C-N 3.31Å; G29-I31 VanDerWaalsContact C-N 3.31Å; G29-I31 PolarHBondContact O-N 3.07Å
30T81.1Confident77.8Confident90 Ų9070.5 Ų70.555%0.55237%0.373SS*.SBendtrans-72-24.5-179.657.20000113.1H25 R28H25-T30 VanDerWaalsContact CA-OG1 3.23Å; H25-T30 WeakPolarHBondContact CA-OG1 3.5Å; H25-T30 WeakPolarHBondContact CB-OG1 3.29Å; H25-T30 PolarHBondContact ND1-OG1 2.86Å; H25-T30 PolarHBondContact O-N 3.16Å; H25-T30 PolarHBondContact O-OG1 3.42Å; R28-T30 HydrophobicContact CB-CG2 4Å; R28-T30 PolarHBondContact O-N 2.98Å; R28-T30 VanDerWaalsContact O-N 3.15Å
31I80.4Confident76.9Confident68 Ų6871.1 Ų71.135%0.34938%0.378SS..SBendtrans-109.2109.4167.5-67.6173.3000107.5F22 H25 V26 G29 V33F22-I31 HydrophobicContact CD2-CD1 4.15Å; H25-I31 HydrophobicContact CB-CB 4.49Å; H25-I31 HydrophobicContact CB-CD1 3.52Å; H25-I31 HydrophobicContact CB-CG1 3.85Å; H25-I31 PolarHBondContact O-N 3.25Å; V26-I31 HydrophobicContact CG2-CB 4.41Å; V26-I31 HydrophobicContact CG2-CG2 4.49Å; G29-I31 VanDerWaalsContact C-N 3.31Å; G29-I31 PolarHBondContact O-N 3.07Å; I31-V33 HydrophobicContact CG2-CG2 4.08Å; I31-V33 PolarHBondContact O-N 3.46Å
32D74.8Confident75.8Confident92 Ų9278.4 Ų78.449%0.49241%0.405SS..  trans-73.891.9172.6176.521.2000110.7S34 S35D32-S34 PolarHBondContact O-N 2.94Å; D32-S34 WeakPolarHBondContact OD1-CA 3.45Å; D32-S34 WeakPolarHBondContact OD1-CB 3.1Å; D32-S34 PolarHBondContact OD1-N 3.36Å; D32-S34 PolarHBondContact OD1-OG 2.88Å; D32-S34 PolarHBondContact OD2-OG 3.41Å; D32-S35 PolarHBondContact O-N 3.13Å; D32-S35 PolarHBondContact O-OG 3.07Å
33V73.7Confident74.8Confident18 Ų1886.8 Ų86.811%0.10944%0.435CS..G310 helixtrans-69.8-20.7177.3-165.70000112.4V26 I31 S35 D36 L39 C40 P46V26-V33 HydrophobicContact CB-CG2 4.21Å; V26-V33 HydrophobicContact CG1-CG2 3.73Å; V26-V33 HydrophobicContact CG2-CG2 3.46Å; V26-V33 VanDerWaalsContact CG2-CG2 3.46Å; I31-V33 HydrophobicContact CG2-CG2 4.08Å; I31-V33 PolarHBondContact O-N 3.46Å; V33-S35 PolarHBondContact O-N 3.48Å; V33-S35 VanDerWaalsContact O-N 3.13Å; V33-D36 PolarHBondContact O-N 3.3Å; V33-L39 HydrophobicContact CG1-CB 3.21Å; V33-L39 HydrophobicContact CG1-CD1 3.77Å; V33-L39 HydrophobicContact CG1-CG 4.11Å; V33-C40 PolarHBondContact O-SG 3.04Å; V33-C40 VanDerWaalsContact O-SG 3.37Å; V33-P46 HydrophobicContact CG1-CG 3.67Å
34S69.1Low73.9Confident91 Ų9190.5 Ų90.564%0.63645%0.451SS*.G310 helixtrans-65.6-16.7178.383.10000113D32 C40D32-S34 PolarHBondContact O-N 2.94Å; D32-S34 WeakPolarHBondContact OD1-CA 3.45Å; D32-S34 WeakPolarHBondContact OD1-CB 3.1Å; D32-S34 PolarHBondContact OD1-N 3.36Å; D32-S34 PolarHBondContact OD1-OG 2.88Å; D32-S34 PolarHBondContact OD2-OG 3.41Å; S34-C40 VanDerWaalsContact CA-SG 3.58Å
35S67.4Low73.6Confident92 Ų9291.4 Ų91.464%0.64346%0.458SS*.G310 helixtrans-76.4-24.8177.271.90000114.4D32 V33D32-S35 PolarHBondContact O-N 3.13Å; D32-S35 PolarHBondContact O-OG 3.07Å; V33-S35 PolarHBondContact O-N 3.48Å; V33-S35 VanDerWaalsContact O-N 3.13Å
36D72.9Confident73.5Confident67 Ų6788.4 Ų88.436%0.35845%0.445SS..  trans-103.3112.3179.4-169.3-17.7000111.7V33 R38 L39 C40V33-D36 PolarHBondContact O-N 3.3Å; D36-R38 PolarHBondContact O-N 3.03Å; D36-R38 WeakPolarHBondContact OD1-CB 3.28Å; D36-R38 PolarHBondContact OD1-N 3.1Å; D36-L39 HydrophobicContact CB-CB 4.41Å; D36-L39 HydrophobicContact CB-CD1 4.1Å; D36-L39 HydrophobicContact CB-CG 4.22Å; D36-L39 PolarHBondContact O-N 3.18Å; D36-C40 PolarHBondContact O-N 3.41Å; D36-C40 PolarHBondContact O-SG 3.07Å
37R66.5Low73.5Confident233 Ų23388 Ų8888%0.87944%0.443SS*.THydrogen-bonded Turntrans-55.1-24.8177.1-69.5-174.9174.6-169.2-2.6114.1
38R67.2Low73.5Confident208 Ų20890.1 Ų90.179%0.78545%0.454SS*.THydrogen-bonded Turntrans-77.2-26.8179-61.9176.6178.6178.10.8112.9D36D36-R38 PolarHBondContact O-N 3.03Å; D36-R38 WeakPolarHBondContact OD1-CB 3.28Å; D36-R38 PolarHBondContact OD1-N 3.1Å
39L65.9Low73.7Confident47 Ų4787.7 Ų87.725%0.24645%0.447CS..THydrogen-bonded Turntrans-98.9-6.5-178.7-56.1175.4000112.2V33 D36 F44 P46V33-L39 HydrophobicContact CG1-CB 3.21Å; V33-L39 HydrophobicContact CG1-CD1 3.77Å; V33-L39 HydrophobicContact CG1-CG 4.11Å; D36-L39 HydrophobicContact CB-CB 4.41Å; D36-L39 HydrophobicContact CB-CD1 4.1Å; D36-L39 HydrophobicContact CB-CG 4.22Å; D36-L39 PolarHBondContact O-N 3.18Å; L39-F44 HydrophobicContact CD2-CD1 4.04Å; L39-F44 HydrophobicContact CD2-CE1 3.55Å; L39-F44 HydrophobicContact CD2-CZ 4.35Å; L39-P46 HydrophobicContact CB-CG 4.45Å
40C62.3Low74Confident68 Ų6885.1 Ų85.146%0.45942%0.42SS..  trans-91.83.9172.7-63.90000114.4V33 S34 D36 Q42V33-C40 PolarHBondContact O-SG 3.04Å; V33-C40 VanDerWaalsContact O-SG 3.37Å; S34-C40 VanDerWaalsContact CA-SG 3.58Å; D36-C40 PolarHBondContact O-N 3.41Å; D36-C40 PolarHBondContact O-SG 3.07Å; C40-Q42 PolarHBondContact O-N 3.32Å
41D68.8Low74.4Confident57 Ų5780.8 Ų80.831%0.30539%0.394SS..  trans-68.9128.1175.3-170.9-37.5000109.3R43 F44D41-R43 PolarHBondContact O-N 3.48Å; D41-R43 VanDerWaalsContact OD1-CB 3.3Å; D41-R43 WeakPolarHBondContact OD1-CB 3.28Å; D41-R43 WeakPolarHBondContact OD1-CG 3.43Å; D41-R43 IonicContact OD1-CZ 2.72Å; D41-R43 PolarHBondContact OD1-N 2.92Å; D41-R43 IonicContact OD1-NE 3.39Å; D41-R43 PolarHBondContact OD1-NE 2.94Å; D41-R43 IonicContact OD1-NH2 2.69Å; D41-R43 IonicContact OD2-CZ 3.71Å; D41-R43 IonicContact OD2-NE 3.5Å; D41-R43 PolarHBondContact OD2-NE 3.07Å; D41-R43 IonicContact OD2-NH2 3.46Å; D41-R43 PolarHBondContact OD2-NH2 3.44Å; D41-F44 HydrophobicContact CB-CB 4.44Å; D41-F44 CarbonylContact O-C 3.42Å; D41-F44 PolarHBondContact O-N 2.95Å; D41-F44 VanDerWaalsContact O-O 3.11Å
42Q62.2Low74.8Confident198 Ų19884 Ų8493%0.92540%0.401SS*.THydrogen-bonded Turntrans-58-21.1179.5-68.1-177.1-9.200113.4C40 F44C40-Q42 PolarHBondContact O-N 3.32Å; Q42-F44 VanDerWaalsContact C-N 3.34Å
43R66.6Low75.4Confident210 Ų21081.9 Ų81.979%0.79239%0.388SS*.THydrogen-bonded Turntrans-80.4-14.3175.7-59.6172.7-67178.62113.3D41D41-R43 PolarHBondContact O-N 3.48Å; D41-R43 VanDerWaalsContact OD1-CB 3.3Å; D41-R43 WeakPolarHBondContact OD1-CB 3.28Å; D41-R43 WeakPolarHBondContact OD1-CG 3.43Å; D41-R43 IonicContact OD1-CZ 2.72Å; D41-R43 PolarHBondContact OD1-N 2.92Å; D41-R43 IonicContact OD1-NE 3.39Å; D41-R43 PolarHBondContact OD1-NE 2.94Å; D41-R43 IonicContact OD1-NH2 2.69Å; D41-R43 IonicContact OD2-CZ 3.71Å; D41-R43 IonicContact OD2-NE 3.5Å; D41-R43 PolarHBondContact OD2-NE 3.07Å; D41-R43 IonicContact OD2-NH2 3.46Å; D41-R43 PolarHBondContact OD2-NH2 3.44Å
44F70.4Confident76.1Confident77 Ų7781 Ų8134%0.33838%0.383SS..  trans-122.890.5-179.3-171.4-88000109.7L39 D41 Q42 P46 H49L39-F44 HydrophobicContact CD2-CD1 4.04Å; L39-F44 HydrophobicContact CD2-CE1 3.55Å; L39-F44 HydrophobicContact CD2-CZ 4.35Å; D41-F44 HydrophobicContact CB-CB 4.44Å; D41-F44 CarbonylContact O-C 3.42Å; D41-F44 PolarHBondContact O-N 2.95Å; D41-F44 VanDerWaalsContact O-O 3.11Å; Q42-F44 VanDerWaalsContact C-N 3.34Å; F44-P46 HydrophobicContact CD1-CG 4.49Å; F44-P46 HydrophobicContact CE1-CB 4.43Å; F44-P46 HydrophobicContact CE1-CG 4.44Å; F44-P46 WeakPolarHBondContact O-CD 3.47Å; F44-H49 AromaticContact CD2-CD2 3.24Å; F44-H49 WeakPolarHBondContact CD2-CD2 3.45Å; F44-H49 AromaticContact CD2-NE2 3.4Å; F44-H49 WeakPolarHBondContact CD2-NE2 3.48Å; F44-H49 AromaticContact CE2-CD2 3.27Å; F44-H49 WeakPolarHBondContact CE2-CD2 3.43Å; F44-H49 AromaticContact CE2-NE2 3.82Å; F44-H49 AromaticContact CG-CD2 3.75Å; F44-H49 AromaticContact CZ-CD2 3.79Å
45S78.7Confident77.1Confident38 Ų3883.1 Ų83.127%0.26638%0.377SS..  trans-82.4117.2167.3166.60000109L47 L48 H49S45-L47 VanDerWaalsContact C-N 3.28Å; S45-L47 PolarHBondContact O-N 3.48Å; S45-L48 PolarHBondContact O-N 3.22Å; S45-L48 WeakPolarHBondContact OG-CB 3.4Å; S45-L48 PolarHBondContact OG-N 2.86Å; S45-H49 PolarHBondContact O-CD2 2.98Å; S45-H49 VanDerWaalsContact O-CD2 3.25Å; S45-H49 PolarHBondContact O-N 2.97Å
46P82.9Confident78.3Confident16 Ų1682.2 Ų82.210%0.10436%0.363CS..Hα-helixtrans-59.2-41.9179.7-1726.4000111.4F22 V33 L39 F44 S50F22-P46 HydrophobicContact CE1-CB 3.72Å; F22-P46 HydrophobicContact CZ-CB 3.95Å; V33-P46 HydrophobicContact CG1-CG 3.67Å; L39-P46 HydrophobicContact CB-CG 4.45Å; F44-P46 HydrophobicContact CD1-CG 4.49Å; F44-P46 HydrophobicContact CE1-CB 4.43Å; F44-P46 HydrophobicContact CE1-CG 4.44Å; F44-P46 WeakPolarHBondContact O-CD 3.47Å; P46-S50 WeakPolarHBondContact O-CB 3.43Å; P46-S50 PolarHBondContact O-N 3.4Å; P46-S50 PolarHBondContact O-OG 3.49Å
47L85.4Confident79.1Confident8 Ų879 Ų794%0.04235%0.346CS..Hα-helixtrans-65-44.1177.1-67.9175.7000111.7F23 V26 L27 S45 H49 S50 S51 V77F23-L47 HydrophobicContact CD2-CB 4.37Å; F23-L47 HydrophobicContact CD2-CD2 3.74Å; F23-L47 HydrophobicContact CE2-CB 4.01Å; F23-L47 HydrophobicContact CE2-CD2 3.69Å; F23-L47 HydrophobicContact CE2-CG 4.45Å; F23-L47 HydrophobicContact CG-CD2 4.24Å; F23-L47 HydrophobicContact CZ-CD2 4.16Å; V26-L47 HydrophobicContact CB-CD2 3.98Å; V26-L47 HydrophobicContact CG1-CD2 3.72Å; V26-L47 HydrophobicContact CG1-CG 3.93Å; L27-L47 HydrophobicContact CB-CD2 4.29Å; S45-L47 VanDerWaalsContact C-N 3.28Å; S45-L47 PolarHBondContact O-N 3.48Å; L47-H49 PolarHBondContact O-N 3.07Å; L47-S50 PolarHBondContact O-N 3.42Å; L47-S50 PolarHBondContact O-OG 3.23Å; L47-S51 WeakPolarHBondContact O-CB 3.4Å; L47-S51 PolarHBondContact O-N 3.46Å; L47-S51 PolarHBondContact O-OG 2.98Å; L47-V77 HydrophobicContact CB-CG1 4.09Å; L47-V77 HydrophobicContact CB-CG2 4.15Å
48L86.9Confident80.3Confident53 Ų5369 Ų6928%0.27731%0.31SS..Hα-helixtrans-66.8-36179.7-173.661.2000113S45 S50 S51 R76 V77S45-L48 PolarHBondContact O-N 3.22Å; S45-L48 WeakPolarHBondContact OG-CB 3.4Å; S45-L48 PolarHBondContact OG-N 2.86Å; L48-S50 VanDerWaalsContact C-N 3.33Å; L48-S51 PolarHBondContact O-OG 3.36Å; L48-S51 VanDerWaalsContact O-OG 3.1Å; L48-R76 HydrophobicContact CD1-CB 3.77Å; L48-R76 HydrophobicContact CD2-CB 4.46Å; L48-V77 HydrophobicContact CB-CG2 4.08Å; L48-V77 HydrophobicContact CD1-CG2 4.22Å
49H85Confident81.3Confident56 Ų5659.2 Ų59.226%0.25927%0.274SS..Hα-helixtrans-76.4-21.2178.3-73.5-51.1000113.8M19 F44 S45 L47 R52M19-H49 WeakPolarHBondContact CE-O 3.42Å; F44-H49 AromaticContact CD2-CD2 3.24Å; F44-H49 WeakPolarHBondContact CD2-CD2 3.45Å; F44-H49 AromaticContact CD2-NE2 3.4Å; F44-H49 WeakPolarHBondContact CD2-NE2 3.48Å; F44-H49 AromaticContact CE2-CD2 3.27Å; F44-H49 WeakPolarHBondContact CE2-CD2 3.43Å; F44-H49 AromaticContact CE2-NE2 3.82Å; F44-H49 AromaticContact CG-CD2 3.75Å; F44-H49 AromaticContact CZ-CD2 3.79Å; S45-H49 PolarHBondContact O-CD2 2.98Å; S45-H49 VanDerWaalsContact O-CD2 3.25Å; S45-H49 PolarHBondContact O-N 2.97Å; L47-H49 PolarHBondContact O-N 3.07Å; H49-R52 PolarHBondContact O-NE 2.99Å
50S86.9Confident82.2Confident0 Ų058.2 Ų58.20%027%0.27CS..Hα-helixtrans-98.2-29.2179.350.50000114M19 F23 P46 L47 L48 R52 H53 V54M19-S50 WeakPolarHBondContact O-CB 3.22Å; F23-S50 WeakPolarHBondContact CD2-OG 3.41Å; P46-S50 WeakPolarHBondContact O-CB 3.43Å; P46-S50 PolarHBondContact O-N 3.4Å; P46-S50 PolarHBondContact O-OG 3.49Å; L47-S50 PolarHBondContact O-N 3.42Å; L47-S50 PolarHBondContact O-OG 3.23Å; L48-S50 VanDerWaalsContact C-N 3.33Å; S50-R52 VanDerWaalsContact C-N 3.31Å; S50-R52 PolarHBondContact O-N 3.48Å; S50-H53 WeakPolarHBondContact O-CA 3.36Å; S50-H53 WeakPolarHBondContact O-CB 3.41Å; S50-H53 PolarHBondContact O-N 2.98Å; S50-V54 PolarHBondContact O-N 3.48Å
51S89.1Confident82.9Confident0 Ų059.1 Ų59.10%027%0.271CS..Hα-helixtrans-50.9-43.4-179.357.20000114.2L47 L48 H53 V54 T80 S84L47-S51 WeakPolarHBondContact O-CB 3.4Å; L47-S51 PolarHBondContact O-N 3.46Å; L47-S51 PolarHBondContact O-OG 2.98Å; L48-S51 PolarHBondContact O-OG 3.36Å; L48-S51 VanDerWaalsContact O-OG 3.1Å; S51-H53 PolarHBondContact O-N 2.85Å; S51-V54 WeakPolarHBondContact O-CB 3.39Å; S51-V54 PolarHBondContact O-N 2.97Å; S51-T80 WeakPolarHBondContact OG-CB 3.36Å; S51-T80 WeakPolarHBondContact OG-CG2 3.48Å; S51-S84 PolarHBondContact O-OG 3.13Å; S51-S84 VanDerWaalsContact O-OG 3.06Å
52R88Confident83.3Confident134 Ų13462.3 Ų62.351%0.50629%0.285SS..THydrogen-bonded Turntrans-58.6-17176.467.8179.7176-169.2-8.8115.1H49 S50 T80H49-R52 PolarHBondContact O-NE 2.99Å; S50-R52 VanDerWaalsContact C-N 3.31Å; S50-R52 PolarHBondContact O-N 3.48Å; R52-T80 HydrophobicContact CB-CG2 3.84Å
53H87.6Confident84.1Confident49 Ų4952.9 Ų52.923%0.22724%0.241CC..THydrogen-bonded Turntrans-100.5-10.7176.9-58.6-60.6000112.6M19 S50 S51 R55M19-H53 HydrophobicContact CB-CB 3.85Å; S50-H53 WeakPolarHBondContact O-CA 3.36Å; S50-H53 WeakPolarHBondContact O-CB 3.41Å; S50-H53 PolarHBondContact O-N 2.98Å; S51-H53 PolarHBondContact O-N 2.85Å; H53-R55 PolarHBondContact O-N 3.3Å
54V89.3Confident84.7Confident0 Ų048.7 Ų48.70%023%0.231CC..  trans-77121177.5-177.20000109.2E20 F23 S50 S51 Q56 L81 S84 L85E20-V54 HydrophobicContact CG-CG1 4.47Å; F23-V54 HydrophobicContact CB-CG2 3.7Å; F23-V54 HydrophobicContact CD1-CG2 3.74Å; F23-V54 HydrophobicContact CD2-CG2 3.94Å; F23-V54 HydrophobicContact CE1-CG2 4.39Å; F23-V54 HydrophobicContact CG-CG2 3.5Å; S50-V54 PolarHBondContact O-N 3.48Å; S51-V54 WeakPolarHBondContact O-CB 3.39Å; S51-V54 PolarHBondContact O-N 2.97Å; V54-Q56 VanDerWaalsContact CG1-O 3.32Å; V54-Q56 WeakPolarHBondContact CG1-O 3.47Å; V54-L81 HydrophobicContact CB-CD2 3.84Å; V54-L81 HydrophobicContact CG1-CD2 4.03Å; V54-L81 HydrophobicContact CG2-CD2 4.34Å; V54-S84 CarbonylContact O-C 3.58Å; V54-S84 WeakPolarHBondContact O-CB 3.5Å; V54-S84 PolarHBondContact O-OG 3.37Å; V54-L85 HydrophobicContact CG1-CD1 3.83Å
55R90.1Very high85.1Confident135 Ų13545.5 Ų45.551%0.50922%0.219SC..SBendtrans-107.1-28.5170.1-63.6-54.9-162.8175.44.4111.5E20 H53 S84 L85 H86 T87E20-R55 PolarHBondContact OE1-N 3.12Å; H53-R55 PolarHBondContact O-N 3.3Å; R55-S84 WeakPolarHBondContact CD-O 3.34Å; R55-S84 PolarHBondContact NH1-O 2.91Å; R55-L85 WeakPolarHBondContact O-CD1 2.99Å; R55-H86 PolarHBondContact NH1-CE1 3.11Å; R55-H86 VanDerWaalsContact NH1-CE1 3.32Å; R55-H86 PolarHBondContact O-N 3.03Å; R55-T87 PolarHBondContact O-N 2.64Å; R55-T87 VanDerWaalsContact O-N 3.09Å
56Q90.8Very high85.4Confident72 Ų7243.7 Ų43.734%0.33621%0.206SC..EExtended strand (participates in β ladder)trans-122.8126.9176.7-172.4-167.4-90.600111.1E20 V54 T87 K89E20-Q56 PolarHBondContact OE1-N 3.48Å; V54-Q56 VanDerWaalsContact CG1-O 3.32Å; V54-Q56 WeakPolarHBondContact CG1-O 3.47Å; Q56-T87 WeakPolarHBondContact CA-O 3.41Å; Q56-T87 HydrophobicContact CG-CG2 4.01Å; Q56-K89 HydrophobicContact CG-CD 3.97Å; Q56-K89 HydrophobicContact CG-CG 4.18Å; Q56-K89 VanDerWaalsContact OE1-CE 3.23Å
57L91.3Very high85.5Confident0 Ų045.4 Ų45.40%022%0.217CC..EExtended strand (participates in β ladder)trans-112.1138.7175.5178.159.8000108.8F23 L27 I59 L69 L85 T87 L88 K89 L111F23-L57 HydrophobicContact CD1-CD1 4.39Å; F23-L57 HydrophobicContact CE1-CD1 3.8Å; L27-L57 HydrophobicContact CD2-CD1 3.78Å; L57-I59 HydrophobicContact CD2-CG1 4.44Å; L57-I59 HydrophobicContact CG-CG1 4.34Å; L57-L69 HydrophobicContact CD2-CD1 3.76Å; L57-L85 HydrophobicContact CB-CD1 3.5Å; L57-L85 HydrophobicContact CB-CD2 3.9Å; L57-L85 HydrophobicContact CB-CG 4.36Å; L57-L85 HydrophobicContact CD2-CD2 4.18Å; L57-T87 PolarHBondContact N-O 3.05Å; L57-L88 HydrophobicContact CB-CD1 4.03Å; L57-L88 HydrophobicContact CD2-CD1 3.94Å; L57-L88 HydrophobicContact CG-CD1 4.05Å; L57-K89 PolarHBondContact O-N 3.12Å; L57-L111 HydrophobicContact CD2-CD1 4.45Å
58T90.3Very high85.6Confident23 Ų2347.7 Ų47.714%0.14123%0.227CC..EExtended strand (participates in β ladder)trans-124.7113.1175-52.50000110.9K89 R91T58-K89 CarbonylContact C-O 3.15Å; T58-K89 VanDerWaalsContact CA-O 3.27Å; T58-K89 WeakPolarHBondContact CA-O 3.4Å; T58-K89 HydrophobicContact CG2-CB 4.08Å; T58-R91 HydrophobicContact CG2-CB 4.25Å
59I89.2Confident85.6Confident2 Ų245.2 Ų45.21%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-92.9133.3177-58.1176.3000108.6L57 L63 A66 L88 K89 F90 R91 L93 L107L57-I59 HydrophobicContact CD2-CG1 4.44Å; L57-I59 HydrophobicContact CG-CG1 4.34Å; I59-L63 HydrophobicContact CG2-CD2 3.96Å; I59-A66 HydrophobicContact CD1-CB 4.49Å; I59-L88 HydrophobicContact CD1-CD1 3.87Å; I59-L88 HydrophobicContact CG1-CD1 4.24Å; I59-K89 PolarHBondContact N-O 2.89Å; I59-F90 HydrophobicContact CB-CD1 3.95Å; I59-F90 HydrophobicContact CB-CE1 4.04Å; I59-F90 HydrophobicContact CD1-CE1 3.82Å; I59-F90 HydrophobicContact CD1-CZ 4.35Å; I59-F90 HydrophobicContact CG1-CE1 4.43Å; I59-F90 HydrophobicContact CG2-CD1 4.32Å; I59-F90 HydrophobicContact CG2-CE1 4.33Å; I59-F90 WeakPolarHBondContact O-CA 3.35Å; I59-R91 PolarHBondContact O-N 3.06Å; I59-L93 HydrophobicContact CG2-CD2 4.47Å; I59-L107 HydrophobicContact CD1-CD2 3.38Å
60C84.2Confident85.7Confident26 Ų2643.9 Ų43.918%0.17621%0.21CC..EExtended strand (participates in β ladder)trans-129.9166.8-176.8-56.20000111.8R91C60-R91 VanDerWaalsContact CA-O 3.29Å; C60-R91 WeakPolarHBondContact CA-O 3.34Å
61N78.4Confident85.7Confident88 Ų8845.7 Ų45.747%0.47123%0.225SC..EExtended strand (participates in β ladder)trans60.3-145.3168.6-50.7-8.5000112.2L63 H92 L93 L94N61-L63 PolarHBondContact O-N 2.96Å; N61-H92 WeakPolarHBondContact CA-O 3.33Å; N61-H92 PolarHBondContact N-O 3.03Å; N61-H92 VanDerWaalsContact N-O 3.09Å; N61-L93 WeakPolarHBondContact O-CD2 3.44Å; N61-L94 PolarHBondContact O-N 2.7Å
62M75.1Confident85.4Confident123 Ų12352.3 Ų52.361%0.60626%0.256SS*.SBendtrans-74.242.2178.1-55.3-167.4-45.700113.2Q64 L94M62-Q64 PolarHBondContact O-N 3.38Å; M62-L94 HydrophobicContact CG-CB 3.91Å; M62-L94 HydrophobicContact CG-CD1 4.49Å
63L79.1Confident85.2Confident0 Ų051.5 Ų51.50%027%0.268CS..SBendtrans55.323.2176.1-54.4166.6000115.2I59 N61 G65 A66 T67 L93 A100 L104 L132I59-L63 HydrophobicContact CG2-CD2 3.96Å; N61-L63 PolarHBondContact O-N 2.96Å; L63-G65 PolarHBondContact O-N 2.98Å; L63-G65 VanDerWaalsContact O-N 3.16Å; L63-A66 HydrophobicContact CB-CB 4.27Å; L63-A66 WeakPolarHBondContact O-CA 3.35Å; L63-A66 VanDerWaalsContact O-CB 3.29Å; L63-A66 WeakPolarHBondContact O-CB 3.46Å; L63-A66 PolarHBondContact O-N 3.37Å; L63-T67 PolarHBondContact O-N 3.3Å; L63-L93 HydrophobicContact CD2-CD1 4.17Å; L63-L93 HydrophobicContact CD2-CD2 3.7Å; L63-A100 HydrophobicContact CB-CB 4.18Å; L63-A100 HydrophobicContact CD1-CB 4.15Å; L63-L104 HydrophobicContact CD1-CB 4.24Å; L63-L104 HydrophobicContact CD1-CD2 4.06Å; L63-L104 HydrophobicContact CD2-CD1 4.45Å; L63-L104 HydrophobicContact CD2-CD2 4.02Å; L63-L132 HydrophobicContact CD1-CD1 3.78Å; L63-L132 HydrophobicContact CD1-CD2 4.07Å
64Q79.3Confident85.1Confident123 Ų12350.1 Ų50.158%0.57526%0.262SS*.Hα-helixtrans-56.6-35.4-177.8-176.2178.8-6.900112.7M62 A66 T67 E68M62-Q64 PolarHBondContact O-N 3.38Å; Q64-A66 VanDerWaalsContact C-N 3.26Å; Q64-A66 PolarHBondContact O-N 3.44Å; Q64-T67 PolarHBondContact O-N 2.8Å; Q64-T67 PolarHBondContact O-OG1 2.92Å; Q64-E68 WeakPolarHBondContact O-CB 3.36Å; Q64-E68 PolarHBondContact O-N 2.8Å
65G80.1Confident84.9Confident9 Ų956 Ų569%0.09328%0.284CS..Hα-helixtrans-64.9-27.1173.400000113.6L63 L69L63-G65 PolarHBondContact O-N 2.98Å; L63-G65 VanDerWaalsContact O-N 3.16Å; G65-L69 WeakPolarHBondContact O-CB 3.36Å; G65-L69 WeakPolarHBondContact O-CD1 3.46Å; G65-L69 WeakPolarHBondContact O-CG 3.23Å; G65-L69 PolarHBondContact O-N 3.33Å
66A84.6Confident84.8Confident0 Ų058.1 Ų58.10%029%0.292CS..Hα-helixtrans-76.1-42174.500000111.8I59 L63 Q64 V70 L104 L107I59-A66 HydrophobicContact CD1-CB 4.49Å; L63-A66 HydrophobicContact CB-CB 4.27Å; L63-A66 WeakPolarHBondContact O-CA 3.35Å; L63-A66 VanDerWaalsContact O-CB 3.29Å; L63-A66 WeakPolarHBondContact O-CB 3.46Å; L63-A66 PolarHBondContact O-N 3.37Å; Q64-A66 VanDerWaalsContact C-N 3.26Å; Q64-A66 PolarHBondContact O-N 3.44Å; A66-V70 WeakPolarHBondContact O-CB 3.26Å; A66-V70 WeakPolarHBondContact O-CG2 3.47Å; A66-V70 PolarHBondContact O-N 2.77Å; A66-V70 VanDerWaalsContact O-N 3.14Å; A66-L104 HydrophobicContact CB-CD1 4.39Å; A66-L107 HydrophobicContact CB-CD2 3.85Å
67T85.3Confident84.7Confident52 Ų5254.8 Ų54.832%0.31928%0.277SS..Hα-helixtrans-65.9-40.2176.460.10000111.3L63 Q64 A71 A100L63-T67 PolarHBondContact O-N 3.3Å; Q64-T67 PolarHBondContact O-N 2.8Å; Q64-T67 PolarHBondContact O-OG1 2.92Å; T67-A71 PolarHBondContact O-N 2.9Å; T67-A71 VanDerWaalsContact O-N 3.16Å; T67-A100 HydrophobicContact CG2-CB 4.09Å
68E86.6Confident84.6Confident57 Ų5755.7 Ų55.727%0.26628%0.281SS..Hα-helixtrans-66.1-41.2176.6-177.6172.8170.600113L27 Q64 N74L27-E68 HydrophobicContact CD1-CB 4.06Å; L27-E68 HydrophobicContact CD1-CG 4.02Å; Q64-E68 WeakPolarHBondContact O-CB 3.36Å; Q64-E68 PolarHBondContact O-N 2.8Å; E68-N74 WeakPolarHBondContact CG-ND2 3.46Å; E68-N74 WeakPolarHBondContact O-CB 3.42Å; E68-N74 PolarHBondContact O-ND2 3.35Å
69L87.4Confident84.6Confident0 Ų059.4 Ų59.40%030%0.297CS..Hα-helixtrans-73.1-28.6179.8-71.7173.7000113.8F23 L27 L57 G65 V77 L81 L107F23-L69 HydrophobicContact CZ-CD2 3.89Å; L27-L69 HydrophobicContact CD1-CD1 4.48Å; L27-L69 HydrophobicContact CD1-CD2 4.09Å; L27-L69 HydrophobicContact CD1-CG 3.9Å; L27-L69 HydrophobicContact CD2-CD1 3.82Å; L27-L69 HydrophobicContact CD2-CD2 4.44Å; L27-L69 HydrophobicContact CD2-CG 4.14Å; L57-L69 HydrophobicContact CD2-CD1 3.76Å; G65-L69 WeakPolarHBondContact O-CB 3.36Å; G65-L69 WeakPolarHBondContact O-CD1 3.46Å; G65-L69 WeakPolarHBondContact O-CG 3.23Å; G65-L69 PolarHBondContact O-N 3.33Å; L69-V77 HydrophobicContact CD2-CG1 4.16Å; L69-L81 HydrophobicContact CD1-CD1 4.06Å; L69-L81 HydrophobicContact CD2-CD1 4Å; L69-L107 HydrophobicContact CB-CD1 3.8Å; L69-L107 HydrophobicContact CD1-CD1 4.17Å
70V87.4Confident84.6Confident28 Ų2861 Ų6117%0.1731%0.308CS..Hα-helixtrans-83.7-17.5178.11710000112.3A66 E72 L78 S103 Q106 L107A66-V70 WeakPolarHBondContact O-CB 3.26Å; A66-V70 WeakPolarHBondContact O-CG2 3.47Å; A66-V70 PolarHBondContact O-N 2.77Å; A66-V70 VanDerWaalsContact O-N 3.14Å; V70-E72 PolarHBondContact O-N 3.29Å; V70-L78 HydrophobicContact CG2-CD2 4.29Å; V70-S103 WeakPolarHBondContact CG2-O 3.38Å; V70-Q106 HydrophobicContact CG1-CB 4.14Å; V70-Q106 HydrophobicContact CG2-CB 4.33Å; V70-L107 HydrophobicContact CG2-CB 3.89Å; V70-L107 HydrophobicContact CG2-CD1 3.97Å
71A86.6Confident85Confident38 Ų3859.8 Ų59.831%0.31430%0.299SS..SBendtrans-59.9136.3174.700000111.9T67 P73 N74 R75T67-A71 PolarHBondContact O-N 2.9Å; T67-A71 VanDerWaalsContact O-N 3.16Å; A71-P73 HydrophobicContact CB-CG 4.25Å; A71-P73 WeakPolarHBondContact O-CD 3.26Å; A71-P73 VanDerWaalsContact O-N 3.12Å; A71-N74 WeakPolarHBondContact O-CA 3.48Å; A71-N74 PolarHBondContact O-N 3Å; A71-R75 PolarHBondContact O-N 2.64Å
72E83.3Confident85.5Confident140 Ų14056.4 Ų56.465%0.65428%0.283SS*.G310 helixtrans-41.9-44.8179.4-75-65.6160.900116.5V70 N74 R75V70-E72 PolarHBondContact O-N 3.29Å; E72-N74 PolarHBondContact O-N 3.11Å; E72-N74 VanDerWaalsContact O-N 3.14Å; E72-R75 VanDerWaalsContact O-CB 3.3Å; E72-R75 WeakPolarHBondContact O-CB 3.17Å; E72-R75 PolarHBondContact O-N 3.01Å; E72-R75 VanDerWaalsContact O-N 3.14Å
73P82.9Confident86.2Confident117 Ų11754.6 Ų54.676%0.7628%0.283SS*.G310 helixtrans-59-27.2177.423.2-35.9000114.1A71A71-P73 HydrophobicContact CB-CG 4.25Å; A71-P73 WeakPolarHBondContact O-CD 3.26Å; A71-P73 VanDerWaalsContact O-N 3.12Å
74N85.1Confident86.8Confident20 Ų2054.8 Ų54.811%0.10728%0.284CS..G310 helixtrans-98.45.1-178.4-73.6-33.7000113.6E68 A71 E72 R76 V77 L78E68-N74 WeakPolarHBondContact CG-ND2 3.46Å; E68-N74 WeakPolarHBondContact O-CB 3.42Å; E68-N74 PolarHBondContact O-ND2 3.35Å; A71-N74 WeakPolarHBondContact O-CA 3.48Å; A71-N74 PolarHBondContact O-N 3Å; E72-N74 PolarHBondContact O-N 3.11Å; E72-N74 VanDerWaalsContact O-N 3.14Å; N74-R76 VanDerWaalsContact C-N 3.32Å; N74-R76 PolarHBondContact O-N 3.29Å; N74-V77 HydrophobicContact CB-CB 4.36Å; N74-V77 HydrophobicContact CB-CG2 4.15Å; N74-V77 VanDerWaalsContact O-CA 3.31Å; N74-V77 WeakPolarHBondContact O-CA 3.22Å; N74-V77 WeakPolarHBondContact O-CB 3.39Å; N74-V77 WeakPolarHBondContact O-CG2 3.4Å; N74-V77 PolarHBondContact O-N 3.41Å; N74-L78 PolarHBondContact O-N 2.99Å
75R86.3Confident87.4Confident122 Ų12249 Ų4946%0.4626%0.257SS..Hα-helixtrans-50.5-45.4179.9178.5177.61731513.8114.2A71 E72 V77 L78 E79A71-R75 PolarHBondContact O-N 2.64Å; E72-R75 VanDerWaalsContact O-CB 3.3Å; E72-R75 WeakPolarHBondContact O-CB 3.17Å; E72-R75 PolarHBondContact O-N 3.01Å; E72-R75 VanDerWaalsContact O-N 3.14Å; R75-V77 VanDerWaalsContact C-N 3.25Å; R75-V77 PolarHBondContact O-N 3.34Å; R75-L78 PolarHBondContact O-N 3.28Å; R75-E79 WeakPolarHBondContact CG-OE1 3.37Å; R75-E79 IonicContact CZ-OE1 3.04Å; R75-E79 IonicContact NE-OE1 3.25Å; R75-E79 PolarHBondContact NE-OE1 3.11Å; R75-E79 IonicContact NH2-OE1 2.67Å; R75-E79 WeakPolarHBondContact O-CG 3.04Å; R75-E79 PolarHBondContact O-N 3.49Å
76R87.2Confident88Confident181 Ų18152.1 Ų52.168%0.68327%0.269SS*.Hα-helixtrans-65-28.8176.2-68.3-176.1178.5-179.6-0113.1L48 N74 T80L48-R76 HydrophobicContact CD1-CB 3.77Å; L48-R76 HydrophobicContact CD2-CB 4.46Å; N74-R76 VanDerWaalsContact C-N 3.32Å; N74-R76 PolarHBondContact O-N 3.29Å; R76-T80 WeakPolarHBondContact O-CB 3.3Å; R76-T80 PolarHBondContact O-N 3.26Å; R76-T80 VanDerWaalsContact O-N 3.08Å; R76-T80 PolarHBondContact O-OG1 2.9Å
77V89.6Confident88.5Confident2 Ų252.9 Ų52.91%0.01227%0.274CS..Hα-helixtrans-66.9-48.1174.2-169.40000108.7F23 L47 L48 L69 N74 R75 T80 L81F23-V77 HydrophobicContact CE2-CG1 3.65Å; F23-V77 HydrophobicContact CZ-CG1 4.07Å; L47-V77 HydrophobicContact CB-CG1 4.09Å; L47-V77 HydrophobicContact CB-CG2 4.15Å; L48-V77 HydrophobicContact CB-CG2 4.08Å; L48-V77 HydrophobicContact CD1-CG2 4.22Å; L69-V77 HydrophobicContact CD2-CG1 4.16Å; N74-V77 HydrophobicContact CB-CB 4.36Å; N74-V77 HydrophobicContact CB-CG2 4.15Å; N74-V77 VanDerWaalsContact O-CA 3.31Å; N74-V77 WeakPolarHBondContact O-CA 3.22Å; N74-V77 WeakPolarHBondContact O-CB 3.39Å; N74-V77 WeakPolarHBondContact O-CG2 3.4Å; N74-V77 PolarHBondContact O-N 3.41Å; R75-V77 VanDerWaalsContact C-N 3.25Å; R75-V77 PolarHBondContact O-N 3.34Å; V77-T80 WeakPolarHBondContact O-CB 3.43Å; V77-T80 PolarHBondContact O-N 2.84Å; V77-L81 HydrophobicContact CG1-CD1 4.39Å; V77-L81 WeakPolarHBondContact O-CG 3.22Å; V77-L81 PolarHBondContact O-N 3.29Å
78L89.3Confident89Confident18 Ų1850.4 Ų50.49%0.09426%0.259CS..Hα-helixtrans-63.6-43.4177.7-177.555.5000112.7V70 N74 R75 T80 L81 A82 L107 Q110 L111V70-L78 HydrophobicContact CG2-CD2 4.29Å; N74-L78 PolarHBondContact O-N 2.99Å; R75-L78 PolarHBondContact O-N 3.28Å; L78-T80 VanDerWaalsContact C-N 3.29Å; L78-T80 PolarHBondContact O-N 3.37Å; L78-L81 PolarHBondContact O-N 2.83Å; L78-A82 PolarHBondContact O-N 3Å; L78-L107 HydrophobicContact CD1-CD1 3.6Å; L78-L107 HydrophobicContact CD2-CD1 4.34Å; L78-Q110 HydrophobicContact CD1-CB 4.34Å; L78-Q110 HydrophobicContact CD2-CB 4.2Å; L78-Q110 HydrophobicContact CD2-CG 4.13Å; L78-Q110 HydrophobicContact CG-CB 4.26Å; L78-L111 HydrophobicContact CD1-CD2 3.73Å; L78-L111 HydrophobicContact CD1-CG 3.98Å
79E89.9Confident89.3Confident101 Ų10149.5 Ų49.547%0.47225%0.254SS..Hα-helixtrans-58.9-40.1173.6-71.9165.2-179.800111.4R75R75-E79 WeakPolarHBondContact CG-OE1 3.37Å; R75-E79 IonicContact CZ-OE1 3.04Å; R75-E79 IonicContact NE-OE1 3.25Å; R75-E79 PolarHBondContact NE-OE1 3.11Å; R75-E79 IonicContact NH2-OE1 2.67Å; R75-E79 WeakPolarHBondContact O-CG 3.04Å; R75-E79 PolarHBondContact O-N 3.49Å
80T90.1Very high89.6Confident37 Ų3749.6 Ų49.623%0.22725%0.254CS..Hα-helixtrans-66.3-46.7174.2-54.10000111.4S51 R52 R76 V77 L78 A82 S83 S84S51-T80 WeakPolarHBondContact OG-CB 3.36Å; S51-T80 WeakPolarHBondContact OG-CG2 3.48Å; R52-T80 HydrophobicContact CB-CG2 3.84Å; R76-T80 WeakPolarHBondContact O-CB 3.3Å; R76-T80 PolarHBondContact O-N 3.26Å; R76-T80 VanDerWaalsContact O-N 3.08Å; R76-T80 PolarHBondContact O-OG1 2.9Å; V77-T80 WeakPolarHBondContact O-CB 3.43Å; V77-T80 PolarHBondContact O-N 2.84Å; L78-T80 VanDerWaalsContact C-N 3.29Å; L78-T80 PolarHBondContact O-N 3.37Å; T80-A82 VanDerWaalsContact C-N 3.32Å; T80-A82 PolarHBondContact O-N 3.45Å; T80-S83 PolarHBondContact O-N 3.35Å; T80-S83 VanDerWaalsContact O-N 3.09Å; T80-S83 PolarHBondContact O-OG 3.24Å; T80-S84 PolarHBondContact O-N 3.49Å; T80-S84 VanDerWaalsContact O-N 3.09Å; T80-S84 PolarHBondContact O-OG 3.32Å
81L91.1Very high89.6Confident0 Ų053.9 Ų53.90%027%0.267CS..Hα-helixtrans-61.1-39.1179.1-73.5173.9000111.9F23 V54 L69 V77 L78 S83 S84 L85 L111F23-L81 HydrophobicContact CZ-CD1 3.9Å; F23-L81 HydrophobicContact CZ-CD2 4.32Å; V54-L81 HydrophobicContact CB-CD2 3.84Å; V54-L81 HydrophobicContact CG1-CD2 4.03Å; V54-L81 HydrophobicContact CG2-CD2 4.34Å; L69-L81 HydrophobicContact CD1-CD1 4.06Å; L69-L81 HydrophobicContact CD2-CD1 4Å; V77-L81 HydrophobicContact CG1-CD1 4.39Å; V77-L81 WeakPolarHBondContact O-CG 3.22Å; V77-L81 PolarHBondContact O-N 3.29Å; L78-L81 PolarHBondContact O-N 2.83Å; L81-S83 PolarHBondContact O-N 3.44Å; L81-S83 VanDerWaalsContact O-N 3.15Å; L81-S84 PolarHBondContact O-N 3.18Å; L81-S84 VanDerWaalsContact O-N 3.11Å; L81-L85 WeakPolarHBondContact O-CB 3.49Å; L81-L85 PolarHBondContact O-N 3.43Å; L81-L111 HydrophobicContact CB-CD2 3.94Å
82A90.5Very high89.4Confident16 Ų1657.3 Ų57.313%0.13228%0.277CS..Hα-helixtrans-56-32.4176.100000112.1L78 T80 L111 G115 A116L78-A82 PolarHBondContact O-N 3Å; T80-A82 VanDerWaalsContact C-N 3.32Å; T80-A82 PolarHBondContact O-N 3.45Å; A82-L111 HydrophobicContact CB-CD2 4.45Å; A82-G115 CarbonylContact O-C 3.6Å; A82-G115 WeakPolarHBondContact O-CA 3.5Å; A82-A116 PolarHBondContact O-N 3.29Å
83S89.8Confident89.4Confident85 Ų8550.9 Ų50.959%0.59425%0.247SC*.Hα-helixtrans-84.4-32.117579.50000114.7T80 L81T80-S83 PolarHBondContact O-N 3.35Å; T80-S83 VanDerWaalsContact O-N 3.09Å; T80-S83 PolarHBondContact O-OG 3.24Å; L81-S83 PolarHBondContact O-N 3.44Å; L81-S83 VanDerWaalsContact O-N 3.15Å
84S89.9Confident89.1Confident5 Ų549.9 Ų49.94%0.03523%0.234CC..Hα-helixtrans-97.8-30.2-171.271.30000113.9S51 V54 R55 T80 L81 H86S51-S84 PolarHBondContact O-OG 3.13Å; S51-S84 VanDerWaalsContact O-OG 3.06Å; V54-S84 CarbonylContact O-C 3.58Å; V54-S84 WeakPolarHBondContact O-CB 3.5Å; V54-S84 PolarHBondContact O-OG 3.37Å; R55-S84 WeakPolarHBondContact CD-O 3.34Å; R55-S84 PolarHBondContact NH1-O 2.91Å; T80-S84 PolarHBondContact O-N 3.49Å; T80-S84 VanDerWaalsContact O-N 3.09Å; T80-S84 PolarHBondContact O-OG 3.32Å; L81-S84 PolarHBondContact O-N 3.18Å; L81-S84 VanDerWaalsContact O-N 3.11Å; S84-H86 PolarHBondContact O-CE1 2.76Å; S84-H86 PolarHBondContact O-ND1 2.86Å
85L92.3Very high88.3Confident0 Ų056.5 Ų56.50%026%0.262CS..  trans-81127.4-170.3-168.773.8000111.7V54 R55 L57 L81 L88 L111 A116 V117V54-L85 HydrophobicContact CG1-CD1 3.83Å; R55-L85 WeakPolarHBondContact O-CD1 2.99Å; L57-L85 HydrophobicContact CB-CD1 3.5Å; L57-L85 HydrophobicContact CB-CD2 3.9Å; L57-L85 HydrophobicContact CB-CG 4.36Å; L57-L85 HydrophobicContact CD2-CD2 4.18Å; L81-L85 WeakPolarHBondContact O-CB 3.49Å; L81-L85 PolarHBondContact O-N 3.43Å; L85-L88 HydrophobicContact CD2-CD1 4.48Å; L85-L111 HydrophobicContact CD2-CD1 3.74Å; L85-L111 HydrophobicContact CD2-CD2 3.99Å; L85-L111 HydrophobicContact CD2-CG 4.35Å; L85-A116 CarbonylContact O-C 3.52Å; L85-A116 WeakPolarHBondContact O-CB 3.43Å; L85-V117 HydrophobicContact CB-CG2 4.07Å; L85-V117 HydrophobicContact CD2-CG2 3.6Å; L85-V117 HydrophobicContact CG-CG2 3.77Å; L85-V117 PolarHBondContact O-N 2.83Å
86H93.2Very high87.6Confident75 Ų7551.5 Ų51.535%0.34725%0.247SC..  trans-112.8-31.2179.4-69.155000111.5R55 S84 V117 S118 Q119R55-H86 PolarHBondContact NH1-CE1 3.11Å; R55-H86 VanDerWaalsContact NH1-CE1 3.32Å; R55-H86 PolarHBondContact O-N 3.03Å; S84-H86 PolarHBondContact O-CE1 2.76Å; S84-H86 PolarHBondContact O-ND1 2.86Å; H86-V117 CarbonylContact O-C 3.56Å; H86-V117 WeakPolarHBondContact O-CA 3.21Å; H86-S118 PolarHBondContact O-N 3Å; H86-Q119 PolarHBondContact O-N 3.4Å; H86-Q119 VanDerWaalsContact O-N 3.09Å
87T95.1Very high87.4Confident17 Ų1747.7 Ų47.710%0.10424%0.239CC..EExtended strand (participates in β ladder)trans-124.1126.2-175.2-50.50000111.2R55 Q56 L57 K89 Q119R55-T87 PolarHBondContact O-N 2.64Å; R55-T87 VanDerWaalsContact O-N 3.09Å; Q56-T87 WeakPolarHBondContact CA-O 3.41Å; Q56-T87 HydrophobicContact CG-CG2 4.01Å; L57-T87 PolarHBondContact N-O 3.05Å; T87-K89 HydrophobicContact CG2-CD 4.4Å; T87-K89 HydrophobicContact CG2-CG 3.98Å; T87-Q119 WeakPolarHBondContact CA-O 3.41Å; T87-Q119 HydrophobicContact CG2-CB 4.08Å; T87-Q119 HydrophobicContact CG2-CG 3.83Å; T87-Q119 PolarHBondContact OG1-OE1 3.29Å
88L95.1Very high87.1Confident0 Ų052.5 Ų52.50%027%0.269CS..EExtended strand (participates in β ladder)trans-113.9120.8174.5-176.262.2000109.9L57 I59 L85 F90 L108 V117 Q119 V120 S121L57-L88 HydrophobicContact CB-CD1 4.03Å; L57-L88 HydrophobicContact CD2-CD1 3.94Å; L57-L88 HydrophobicContact CG-CD1 4.05Å; I59-L88 HydrophobicContact CD1-CD1 3.87Å; I59-L88 HydrophobicContact CG1-CD1 4.24Å; L85-L88 HydrophobicContact CD2-CD1 4.48Å; L88-F90 HydrophobicContact CD2-CE2 3.84Å; L88-F90 HydrophobicContact CD2-CZ 3.68Å; L88-F90 HydrophobicContact CG-CE2 3.87Å; L88-F90 HydrophobicContact CG-CZ 3.95Å; L88-L108 HydrophobicContact CD2-CD2 3.63Å; L88-V117 HydrophobicContact CB-CG1 3.95Å; L88-Q119 PolarHBondContact N-O 2.69Å; L88-V120 HydrophobicContact CB-CG2 4.39Å; L88-V120 VanDerWaalsContact O-CA 3.31Å; L88-V120 WeakPolarHBondContact O-CA 3.49Å; L88-S121 PolarHBondContact O-N 2.9Å
89K94.1Very high86.9Confident38 Ų3854 Ų5417%0.16528%0.284CS..EExtended strand (participates in β ladder)trans-112.6136.7-178.5-58.9-168.4161.8173.60111Q56 L57 T58 I59 T87 S121 Y123Q56-K89 HydrophobicContact CG-CD 3.97Å; Q56-K89 HydrophobicContact CG-CG 4.18Å; Q56-K89 VanDerWaalsContact OE1-CE 3.23Å; L57-K89 PolarHBondContact O-N 3.12Å; T58-K89 CarbonylContact C-O 3.15Å; T58-K89 VanDerWaalsContact CA-O 3.27Å; T58-K89 WeakPolarHBondContact CA-O 3.4Å; T58-K89 HydrophobicContact CG2-CB 4.08Å; I59-K89 PolarHBondContact N-O 2.89Å; T87-K89 HydrophobicContact CG2-CD 4.4Å; T87-K89 HydrophobicContact CG2-CG 3.98Å; K89-S121 CarbonylContact C-O 3.48Å; K89-S121 VanDerWaalsContact CA-O 3.27Å; K89-S121 WeakPolarHBondContact CA-O 3.29Å; K89-Y123 HydrophobicContact CB-CE2 4.22Å; K89-Y123 HydrophobicContact CD-CE2 3.65Å; K89-Y123 WeakPolarHBondContact CE-OH 3.27Å; K89-Y123 HydrophobicContact CG-CE2 4.02Å; K89-Y123 PolarHBondContact NZ-OH 3.07Å
90F92.6Very high86.6Confident2 Ų249.2 Ų49.21%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-112.4134.5170.5-63.2-80.7000108.8I59 L88 L93 L104 L108 V120 S121 L122 Y123 I136I59-F90 HydrophobicContact CB-CD1 3.95Å; I59-F90 HydrophobicContact CB-CE1 4.04Å; I59-F90 HydrophobicContact CD1-CE1 3.82Å; I59-F90 HydrophobicContact CD1-CZ 4.35Å; I59-F90 HydrophobicContact CG1-CE1 4.43Å; I59-F90 HydrophobicContact CG2-CD1 4.32Å; I59-F90 HydrophobicContact CG2-CE1 4.33Å; I59-F90 WeakPolarHBondContact O-CA 3.35Å; L88-F90 HydrophobicContact CD2-CE2 3.84Å; L88-F90 HydrophobicContact CD2-CZ 3.68Å; L88-F90 HydrophobicContact CG-CE2 3.87Å; L88-F90 HydrophobicContact CG-CZ 3.95Å; F90-L93 HydrophobicContact CB-CD1 3.93Å; F90-L93 HydrophobicContact CB-CG 4.22Å; F90-L93 HydrophobicContact CD1-CD1 3.81Å; F90-L93 HydrophobicContact CD1-CD2 4.24Å; F90-L93 HydrophobicContact CD1-CG 4.44Å; F90-L93 HydrophobicContact CG-CD1 4.14Å; F90-L104 HydrophobicContact CE1-CD1 3.76Å; F90-L104 HydrophobicContact CZ-CD1 3.93Å; F90-L108 HydrophobicContact CE2-CD2 4.46Å; F90-L108 HydrophobicContact CZ-CD2 4.05Å; F90-V120 HydrophobicContact CD2-CG1 4.14Å; F90-V120 HydrophobicContact CE2-CG1 4.01Å; F90-S121 PolarHBondContact N-O 3.42Å; F90-L122 HydrophobicContact CB-CD2 3.95Å; F90-L122 HydrophobicContact CB-CG 4Å; F90-L122 HydrophobicContact CD2-CD2 4.24Å; F90-L122 HydrophobicContact CD2-CG 4.09Å; F90-L122 HydrophobicContact CG-CD2 4.32Å; F90-L122 HydrophobicContact CG-CG 4.44Å; F90-L122 WeakPolarHBondContact O-CA 3.42Å; F90-Y123 PolarHBondContact O-N 3Å; F90-I136 HydrophobicContact CD1-CD1 4.31Å; F90-I136 HydrophobicContact CD2-CD1 4.33Å; F90-I136 HydrophobicContact CD2-CG2 4.28Å; F90-I136 HydrophobicContact CE1-CD1 4.3Å; F90-I136 HydrophobicContact CE2-CD1 4.33Å; F90-I136 HydrophobicContact CE2-CG2 3.94Å; F90-I136 HydrophobicContact CG-CD1 4.31Å; F90-I136 HydrophobicContact CZ-CD1 4.32Å; F90-I136 HydrophobicContact CZ-CG1 4.46Å
91R88.7Confident86.4Confident118 Ų11849 Ų4945%0.44526%0.258SS..EExtended strand (participates in β ladder)trans-145.6134.8-179.9-179177.6174175.30.7110.9T58 I59 C60 L93 Y123T58-R91 HydrophobicContact CG2-CB 4.25Å; I59-R91 PolarHBondContact O-N 3.06Å; C60-R91 VanDerWaalsContact CA-O 3.29Å; C60-R91 WeakPolarHBondContact CA-O 3.34Å; R91-L93 VanDerWaalsContact C-N 3.29Å; R91-L93 PolarHBondContact O-N 3Å; R91-Y123 WeakPolarHBondContact CA-O 3.41Å
92H82.6Confident86.2Confident110 Ų11053.3 Ų53.351%0.50928%0.278SS..EExtended strand (participates in β ladder)trans49.749.3176.9-54.8-34000112.1N61 S124N61-H92 WeakPolarHBondContact CA-O 3.33Å; N61-H92 PolarHBondContact N-O 3.03Å; N61-H92 VanDerWaalsContact N-O 3.09Å; H92-S124 WeakPolarHBondContact CE1-CB 3.11Å; H92-S124 PolarHBondContact N-O 2.88Å; H92-S124 PolarHBondContact ND1-O 3.09Å
93L82.1Confident86.1Confident4 Ų453.7 Ų53.72%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-69.9142176.1-65.9-174.6000109.6I59 N61 L63 F90 R91 W125 L132 I136I59-L93 HydrophobicContact CG2-CD2 4.47Å; N61-L93 WeakPolarHBondContact O-CD2 3.44Å; L63-L93 HydrophobicContact CD2-CD1 4.17Å; L63-L93 HydrophobicContact CD2-CD2 3.7Å; F90-L93 HydrophobicContact CB-CD1 3.93Å; F90-L93 HydrophobicContact CB-CG 4.22Å; F90-L93 HydrophobicContact CD1-CD1 3.81Å; F90-L93 HydrophobicContact CD1-CD2 4.24Å; F90-L93 HydrophobicContact CD1-CG 4.44Å; F90-L93 HydrophobicContact CG-CD1 4.14Å; R91-L93 VanDerWaalsContact C-N 3.29Å; R91-L93 PolarHBondContact O-N 3Å; L93-W125 HydrophobicContact CB-CD2 3.93Å; L93-W125 HydrophobicContact CB-CE3 4.35Å; L93-W125 HydrophobicContact CB-CG 4.44Å; L93-W125 HydrophobicContact CB-CH2 4.22Å; L93-W125 HydrophobicContact CB-CZ2 3.75Å; L93-W125 HydrophobicContact CB-CZ3 4.48Å; L93-W125 HydrophobicContact CD1-CE3 4.14Å; L93-W125 HydrophobicContact CD1-CH2 3.87Å; L93-W125 HydrophobicContact CD1-CZ2 4.26Å; L93-W125 HydrophobicContact CD1-CZ3 3.78Å; L93-W125 VanDerWaalsContact O-CD1 3.25Å; L93-W125 PolarHBondContact O-NE1 3.31Å; L93-L132 HydrophobicContact CD1-CD2 4.14Å; L93-I136 HydrophobicContact CD1-CD1 4.05Å
94L77.2Confident86.1Confident96 Ų9649.6 Ų49.650%0.50325%0.251SS..  trans-115.8168.6177.9-63.5176.3000109.4N61 M62 S96N61-L94 PolarHBondContact O-N 2.7Å; M62-L94 HydrophobicContact CG-CB 3.91Å; M62-L94 HydrophobicContact CG-CD1 4.49Å; L94-S96 PolarHBondContact O-N 2.69Å
95F67.2Low86.1Confident159 Ų15953 Ų5370%0.69726%0.263SS*.  trans-44.1130.4176.2-74.3-79.6000111.7
96S73.2Confident85.9Confident18 Ų1857.1 Ų57.113%0.12628%0.283CS..  trans-109.4139.9-173.457.70000111.2L94 Q101 E129L94-S96 PolarHBondContact O-N 2.69Å; S96-Q101 VanDerWaalsContact OG-CG 3.28Å; S96-Q101 WeakPolarHBondContact OG-CG 3.32Å; S96-Q101 PolarHBondContact OG-NE2 3.46Å; S96-E129 PolarHBondContact N-OE2 2.84Å; S96-E129 PolarHBondContact OG-OE2 2.88Å
97D81.9Confident85.8Confident100 Ų10053.6 Ų53.654%0.53527%0.266SS..  trans-82164.5170.479.2-31.3000110.8A99 A100 Q101D97-A99 PolarHBondContact O-N 3.03Å; D97-A99 WeakPolarHBondContact OD2-CB 3.26Å; D97-A100 PolarHBondContact O-N 3.33Å; D97-A100 VanDerWaalsContact O-N 3.13Å; D97-A100 WeakPolarHBondContact OD1-CB 3.49Å; D97-A100 PolarHBondContact OD1-N 3.13Å; D97-Q101 WeakPolarHBondContact O-CG 3.44Å; D97-Q101 PolarHBondContact O-N 2.85Å
98V83.5Confident85.7Confident103 Ų10352.8 Ų52.862%0.62426%0.261SS*.Hα-helixtrans-59-32.5-177.9-178.70000111.3Q102V98-Q102 WeakPolarHBondContact O-CB 3.46Å; V98-Q102 VanDerWaalsContact O-CG 3.27Å; V98-Q102 WeakPolarHBondContact O-CG 3.39Å; V98-Q102 PolarHBondContact O-N 2.87Å
99A84.3Confident85.5Confident50 Ų5053 Ų5341%0.41326%0.262SS..Hα-helixtrans-68.6-45.7176.700000112D97 Q101 Q102 S103D97-A99 PolarHBondContact O-N 3.03Å; D97-A99 WeakPolarHBondContact OD2-CB 3.26Å; A99-Q101 VanDerWaalsContact C-N 3.34Å; A99-Q101 PolarHBondContact O-N 2.83Å; A99-Q102 WeakPolarHBondContact O-CB 3.39Å; A99-Q102 PolarHBondContact O-N 3.42Å; A99-S103 PolarHBondContact O-N 2.76Å; A99-S103 PolarHBondContact O-OG 3.18Å
100A84Confident85.2Confident1 Ų153.9 Ų53.91%0.00827%0.267CS..Hα-helixtrans-63-37.7174.600000112.6L63 T67 D97 S103 L104L63-A100 HydrophobicContact CB-CB 4.18Å; L63-A100 HydrophobicContact CD1-CB 4.15Å; T67-A100 HydrophobicContact CG2-CB 4.09Å; D97-A100 PolarHBondContact O-N 3.33Å; D97-A100 VanDerWaalsContact O-N 3.13Å; D97-A100 WeakPolarHBondContact OD1-CB 3.49Å; D97-A100 PolarHBondContact OD1-N 3.13Å; A100-S103 PolarHBondContact O-N 2.93Å; A100-L104 WeakPolarHBondContact O-CB 3.42Å; A100-L104 PolarHBondContact O-N 3.02Å
101Q85.3Confident85.2Confident32 Ų3253.8 Ų53.815%0.1527%0.267CS..Hα-helixtrans-64.4-39.3172.9-67.5-172.85.300112.3S96 D97 A99 L104 R105 E129 L132S96-Q101 VanDerWaalsContact OG-CG 3.28Å; S96-Q101 WeakPolarHBondContact OG-CG 3.32Å; S96-Q101 PolarHBondContact OG-NE2 3.46Å; D97-Q101 WeakPolarHBondContact O-CG 3.44Å; D97-Q101 PolarHBondContact O-N 2.85Å; A99-Q101 VanDerWaalsContact C-N 3.34Å; A99-Q101 PolarHBondContact O-N 2.83Å; Q101-L104 PolarHBondContact O-N 3.46Å; Q101-R105 WeakPolarHBondContact O-CB 3.39Å; Q101-R105 WeakPolarHBondContact O-CG 3.43Å; Q101-R105 PolarHBondContact O-N 3.06Å; Q101-E129 PolarHBondContact NE2-OE1 3.17Å; Q101-L132 HydrophobicContact CG-CD1 4.45Å
102Q86.9Confident85.4Confident91 Ų9148.1 Ų48.143%0.42525%0.245SC..Hα-helixtrans-65.9-41.7173.2-74.317610.900112V98 A99 R105 Q106V98-Q102 WeakPolarHBondContact O-CB 3.46Å; V98-Q102 VanDerWaalsContact O-CG 3.27Å; V98-Q102 WeakPolarHBondContact O-CG 3.39Å; V98-Q102 PolarHBondContact O-N 2.87Å; A99-Q102 WeakPolarHBondContact O-CB 3.39Å; A99-Q102 PolarHBondContact O-N 3.42Å; Q102-R105 WeakPolarHBondContact O-CB 3.43Å; Q102-R105 PolarHBondContact O-N 2.78Å; Q102-Q106 WeakPolarHBondContact O-CG 3.18Å; Q102-Q106 PolarHBondContact O-N 2.96Å
103S88.6Confident85.6Confident23 Ų2343.5 Ų43.516%0.16122%0.224CC..Hα-helixtrans-62.6-44.3173.7-60.90000111.4V70 A99 A100 R105 Q106 L107V70-S103 WeakPolarHBondContact CG2-O 3.38Å; A99-S103 PolarHBondContact O-N 2.76Å; A99-S103 PolarHBondContact O-OG 3.18Å; A100-S103 PolarHBondContact O-N 2.93Å; S103-R105 PolarHBondContact O-N 2.89Å; S103-Q106 PolarHBondContact O-N 2.9Å; S103-L107 WeakPolarHBondContact O-CB 3.47Å; S103-L107 PolarHBondContact O-N 2.84Å
104L90.6Very high85.8Confident0 Ų046.5 Ų46.50%024%0.238CC..Hα-helixtrans-62.9-41.8176.2-17864.8000112.1L63 A66 F90 A100 Q101 Q106 L107 L108 L132 L135 I136L63-L104 HydrophobicContact CD1-CB 4.24Å; L63-L104 HydrophobicContact CD1-CD2 4.06Å; L63-L104 HydrophobicContact CD2-CD1 4.45Å; L63-L104 HydrophobicContact CD2-CD2 4.02Å; A66-L104 HydrophobicContact CB-CD1 4.39Å; F90-L104 HydrophobicContact CE1-CD1 3.76Å; F90-L104 HydrophobicContact CZ-CD1 3.93Å; A100-L104 WeakPolarHBondContact O-CB 3.42Å; A100-L104 PolarHBondContact O-N 3.02Å; Q101-L104 PolarHBondContact O-N 3.46Å; L104-Q106 VanDerWaalsContact C-N 3.34Å; L104-Q106 PolarHBondContact O-N 3.09Å; L104-L107 HydrophobicContact CD1-CD2 4.41Å; L104-L107 PolarHBondContact O-N 2.95Å; L104-L108 HydrophobicContact CD1-CD1 4.09Å; L104-L108 HydrophobicContact CD1-CD2 4.43Å; L104-L108 HydrophobicContact CD1-CG 3.9Å; L104-L108 HydrophobicContact CD2-CD1 4.29Å; L104-L108 HydrophobicContact CG-CD1 3.8Å; L104-L108 HydrophobicContact CG-CG 4.09Å; L104-L108 WeakPolarHBondContact O-CB 3.4Å; L104-L108 VanDerWaalsContact O-CG 3.32Å; L104-L108 WeakPolarHBondContact O-CG 3.42Å; L104-L108 PolarHBondContact O-N 2.99Å; L104-L132 HydrophobicContact CD2-CD1 3.43Å; L104-L132 VanDerWaalsContact CD2-CD1 3.43Å; L104-L135 HydrophobicContact CD2-CD2 4.41Å; L104-I136 HydrophobicContact CD2-CD1 4.11Å; L104-I136 HydrophobicContact CD2-CG1 3.89Å
105R89.8Confident86.3Confident75 Ų7542.4 Ų42.428%0.28322%0.218SC..Hα-helixtrans-53-50.6172.2-82.4170.2-172.1-98.60.4111.2Q101 Q102 S103 H109 L135 M139 W144Q101-R105 WeakPolarHBondContact O-CB 3.39Å; Q101-R105 WeakPolarHBondContact O-CG 3.43Å; Q101-R105 PolarHBondContact O-N 3.06Å; Q102-R105 WeakPolarHBondContact O-CB 3.43Å; Q102-R105 PolarHBondContact O-N 2.78Å; S103-R105 PolarHBondContact O-N 2.89Å; R105-H109 VanDerWaalsContact O-CB 3.24Å; R105-H109 WeakPolarHBondContact O-CB 3.36Å; R105-H109 PolarHBondContact O-N 2.88Å; R105-L135 HydrophobicContact CG-CD1 3.5Å; R105-L135 VanDerWaalsContact CG-CD1 3.5Å; R105-L135 HydrophobicContact CG-CD2 3.79Å; R105-L135 HydrophobicContact CG-CG 4.28Å; R105-M139 HydrophobicContact CG-SD 4.44Å; R105-W144 HydrophobicContact CB-CH2 3.96Å; R105-W144 HydrophobicContact CB-CZ3 3.79Å; R105-W144 HydrophobicContact CG-CZ3 4.28Å; R105-W144 WeakPolarHBondContact O-CZ3 3.46Å
106Q88.6Confident87.5Confident88 Ų8836.1 Ų36.141%0.41120%0.196SC..Hα-helixtrans-65.1-40.2178.7-67.7179.122.100112.3V70 Q102 S103 L104 H109 Q110V70-Q106 HydrophobicContact CG1-CB 4.14Å; V70-Q106 HydrophobicContact CG2-CB 4.33Å; Q102-Q106 WeakPolarHBondContact O-CG 3.18Å; Q102-Q106 PolarHBondContact O-N 2.96Å; S103-Q106 PolarHBondContact O-N 2.9Å; L104-Q106 VanDerWaalsContact C-N 3.34Å; L104-Q106 PolarHBondContact O-N 3.09Å; Q106-H109 WeakPolarHBondContact O-CB 3.15Å; Q106-H109 PolarHBondContact O-N 2.92Å; Q106-Q110 WeakPolarHBondContact O-CG 3.1Å; Q106-Q110 PolarHBondContact O-N 3.39Å
107L91.8Very high88.5Confident0 Ų035.3 Ų35.30%019%0.19CC..Hα-helixtrans-63.4-51.7178.4-169.880.8000111.7I59 A66 L69 V70 L78 S103 L104 H109 Q110 L111I59-L107 HydrophobicContact CD1-CD2 3.38Å; A66-L107 HydrophobicContact CB-CD2 3.85Å; L69-L107 HydrophobicContact CB-CD1 3.8Å; L69-L107 HydrophobicContact CD1-CD1 4.17Å; V70-L107 HydrophobicContact CG2-CB 3.89Å; V70-L107 HydrophobicContact CG2-CD1 3.97Å; L78-L107 HydrophobicContact CD1-CD1 3.6Å; L78-L107 HydrophobicContact CD2-CD1 4.34Å; S103-L107 WeakPolarHBondContact O-CB 3.47Å; S103-L107 PolarHBondContact O-N 2.84Å; L104-L107 HydrophobicContact CD1-CD2 4.41Å; L104-L107 PolarHBondContact O-N 2.95Å; L107-H109 VanDerWaalsContact C-N 3.26Å; L107-H109 PolarHBondContact O-N 2.86Å; L107-Q110 PolarHBondContact O-N 3.23Å; L107-L111 HydrophobicContact CD1-CD1 4.03Å; L107-L111 HydrophobicContact CD2-CD1 4.14Å; L107-L111 HydrophobicContact CG-CD1 3.71Å; L107-L111 HydrophobicContact CG-CG 4.36Å; L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.93Å
108L92.3Very high89.1Confident0 Ų032.2 Ų32.20%018%0.176CC..Hα-helixtrans-59.3-39.8176.6-70.7172.8000110.9L88 F90 L104 L111 I112 I136 M139L88-L108 HydrophobicContact CD2-CD2 3.63Å; F90-L108 HydrophobicContact CE2-CD2 4.46Å; F90-L108 HydrophobicContact CZ-CD2 4.05Å; L104-L108 HydrophobicContact CD1-CD1 4.09Å; L104-L108 HydrophobicContact CD1-CD2 4.43Å; L104-L108 HydrophobicContact CD1-CG 3.9Å; L104-L108 HydrophobicContact CD2-CD1 4.29Å; L104-L108 HydrophobicContact CG-CD1 3.8Å; L104-L108 HydrophobicContact CG-CG 4.09Å; L104-L108 WeakPolarHBondContact O-CB 3.4Å; L104-L108 VanDerWaalsContact O-CG 3.32Å; L104-L108 WeakPolarHBondContact O-CG 3.42Å; L104-L108 PolarHBondContact O-N 2.99Å; L108-L111 PolarHBondContact O-N 3.16Å; L108-I112 HydrophobicContact CB-CD1 4.5Å; L108-I112 HydrophobicContact CD2-CD1 3.73Å; L108-I112 VanDerWaalsContact O-CB 3.29Å; L108-I112 WeakPolarHBondContact O-CB 3.5Å; L108-I112 PolarHBondContact O-N 3.05Å; L108-I136 HydrophobicContact CD1-CG1 4.27Å; L108-M139 HydrophobicContact CB-CB 4.35Å; L108-M139 HydrophobicContact CB-CE 3.5Å; L108-M139 VanDerWaalsContact CB-CE 3.5Å; L108-M139 HydrophobicContact CB-SD 3.61Å; L108-M139 HydrophobicContact CD1-CB 4.12Å; L108-M139 HydrophobicContact CD1-CG 4.4Å; L108-M139 HydrophobicContact CD1-SD 3.82Å; L108-M139 HydrophobicContact CG-SD 4.37Å
109H89.8Confident89.8Confident5 Ų529.4 Ų29.42%0.02316%0.156CC..Iπ-helixtrans-61.2-47.1177.3-175.881.8000111.9R105 Q106 L107 H113 H114 M139 W144 C153 C156R105-H109 VanDerWaalsContact O-CB 3.24Å; R105-H109 WeakPolarHBondContact O-CB 3.36Å; R105-H109 PolarHBondContact O-N 2.88Å; Q106-H109 WeakPolarHBondContact O-CB 3.15Å; Q106-H109 PolarHBondContact O-N 2.92Å; L107-H109 VanDerWaalsContact C-N 3.26Å; L107-H109 PolarHBondContact O-N 2.86Å; H109-H113 AromaticContact ND1-CD2 3.53Å; H109-H113 WeakPolarHBondContact O-CB 3.37Å; H109-H113 PolarHBondContact O-N 3.41Å; H109-H114 AromaticContact CD2-CD2 3.79Å; H109-H114 AromaticContact CE1-NE2 3.86Å; H109-H114 AromaticContact NE2-CD2 3.58Å; H109-H114 AromaticContact NE2-NE2 3.3Å; H109-H114 PolarHBondContact NE2-NE2 2.99Å; H109-H114 PolarHBondContact O-N 3.26Å; H109-M139 HydrophobicContact CB-CE 3.9Å; H109-M139 VanDerWaalsContact N-CE 3.3Å; H109-W144 HydrophobicContact CB-CE3 4.31Å; H109-W144 HydrophobicContact CB-CH2 3.93Å; H109-W144 HydrophobicContact CB-CZ2 4.27Å; H109-W144 HydrophobicContact CB-CZ3 3.96Å; H109-W144 AromaticContact CE1-CD1 3.84Å; H109-W144 AromaticContact CE1-CE2 3.79Å; H109-W144 AromaticContact CE1-NE1 3.59Å; H109-W144 AromaticContact CG-CZ2 3.99Å; H109-W144 AromaticContact ND1-CD1 3.83Å; H109-W144 AromaticContact ND1-CD2 3.44Å; H109-W144 AromaticContact ND1-CE2 3.36Å; H109-W144 AromaticContact ND1-CE3 3.96Å; H109-W144 AromaticContact ND1-CG 3.72Å; H109-W144 AromaticContact ND1-CZ2 3.78Å; H109-W144 AromaticContact ND1-NE1 3.62Å; H109-C153 VanDerWaalsContact NE2-CB 3.27Å; H109-C153 WeakPolarHBondContact NE2-CB 3.48Å; H109-C153 PolarHBondContact NE2-SG 3.4Å; H109-C156 PolarHBondContact CE1-SG 3.04Å; H109-C156 PolarHBondContact NE2-SG 3Å; H109-C156 VanDerWaalsContact NE2-SG 3.39Å
110Q89.1Confident90.4Very high56 Ų5627 Ų2726%0.26214%0.137SC..Iπ-helixtrans-69.4-39.9177.6-66.7-59.4-2700112.8L78 Q106 L107 H114 G115L78-Q110 HydrophobicContact CD1-CB 4.34Å; L78-Q110 HydrophobicContact CD2-CB 4.2Å; L78-Q110 HydrophobicContact CD2-CG 4.13Å; L78-Q110 HydrophobicContact CG-CB 4.26Å; Q106-Q110 WeakPolarHBondContact O-CG 3.1Å; Q106-Q110 PolarHBondContact O-N 3.39Å; L107-Q110 PolarHBondContact O-N 3.23Å; Q110-H114 CarbonylContact O-C 3.49Å; Q110-G115 WeakPolarHBondContact O-CA 3.49Å; Q110-G115 PolarHBondContact O-N 2.87Å
111L92.7Very high91Very high0 Ų027 Ų270%014%0.136CC..Iπ-helixtrans-82.6-35.8-173.7-66.6179.8000114.2L57 L78 L81 A82 L85 L107 L108 G115 V117L57-L111 HydrophobicContact CD2-CD1 4.45Å; L78-L111 HydrophobicContact CD1-CD2 3.73Å; L78-L111 HydrophobicContact CD1-CG 3.98Å; L81-L111 HydrophobicContact CB-CD2 3.94Å; A82-L111 HydrophobicContact CB-CD2 4.45Å; L85-L111 HydrophobicContact CD2-CD1 3.74Å; L85-L111 HydrophobicContact CD2-CD2 3.99Å; L85-L111 HydrophobicContact CD2-CG 4.35Å; L107-L111 HydrophobicContact CD1-CD1 4.03Å; L107-L111 HydrophobicContact CD2-CD1 4.14Å; L107-L111 HydrophobicContact CG-CD1 3.71Å; L107-L111 HydrophobicContact CG-CG 4.36Å; L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.44Å; L107-L111 PolarHBondContact O-N 2.93Å; L108-L111 PolarHBondContact O-N 3.16Å; L111-G115 CarbonylContact O-C 3.48Å; L111-G115 VanDerWaalsContact O-C 3.26Å; L111-G115 WeakPolarHBondContact O-CA 3.46Å; L111-V117 HydrophobicContact CB-CG2 3.91Å; L111-V117 WeakPolarHBondContact O-CB 3.23Å; L111-V117 WeakPolarHBondContact O-CG2 3.38Å; L111-V117 PolarHBondContact O-N 3Å
112I91.9Very high91.4Very high0 Ų025.5 Ų25.50%013%0.13CC..Iπ-helixtrans-95.6-51.4-177.1-59.6179.5000111.4L108 V117 V120 R350 I352L108-I112 HydrophobicContact CB-CD1 4.5Å; L108-I112 HydrophobicContact CD2-CD1 3.73Å; L108-I112 VanDerWaalsContact O-CB 3.29Å; L108-I112 WeakPolarHBondContact O-CB 3.5Å; L108-I112 PolarHBondContact O-N 3.05Å; I112-V117 HydrophobicContact CG1-CB 4.2Å; I112-V117 HydrophobicContact CG1-CG1 4.13Å; I112-V120 HydrophobicContact CD1-CG2 3.99Å; I112-R350 PolarHBondContact O-NH1 3.09Å; I112-I352 HydrophobicContact CD1-CG2 4.19Å; I112-I352 HydrophobicContact CG1-CG2 4.29Å; I112-I352 HydrophobicContact CG2-CG2 3.71Å
113H87.2Confident91.6Very high13 Ų1323.7 Ų23.76%0.0612%0.119CC..Iπ-helixtrans-81.3-36.6-171.8-57.5-37.2000112.9H109 M139 F349 R350H109-H113 AromaticContact ND1-CD2 3.53Å; H109-H113 WeakPolarHBondContact O-CB 3.37Å; H109-H113 PolarHBondContact O-N 3.41Å; H113-M139 PolarHBondContact CE1-O 3.3Å; H113-M139 WeakPolarHBondContact NE2-CE 3.35Å; H113-F349 HydrophobicContact CB-CB 3.8Å; H113-F349 HydrophobicContact CB-CD1 4.12Å; H113-F349 HydrophobicContact CB-CG 4.09Å; H113-F349 VanDerWaalsContact CG-CB 3.46Å; H113-F349 AromaticContact CG-CG 3.94Å; H113-F349 VanDerWaalsContact ND1-CB 3.34Å; H113-F349 WeakPolarHBondContact ND1-CB 3.43Å; H113-R350 PolarHBondContact ND1-O 2.89Å
114H86.8Confident91.5Very high67 Ų6724.3 Ų24.331%0.3112%0.123SC..SBendtrans-104.1-14175.8-66.4-58.9000114.2H109 Q110 L155 C156H109-H114 AromaticContact CD2-CD2 3.79Å; H109-H114 AromaticContact CE1-NE2 3.86Å; H109-H114 AromaticContact NE2-CD2 3.58Å; H109-H114 AromaticContact NE2-NE2 3.3Å; H109-H114 PolarHBondContact NE2-NE2 2.99Å; H109-H114 PolarHBondContact O-N 3.26Å; Q110-H114 CarbonylContact O-C 3.49Å; H114-L155 HydrophobicContact CB-CD1 4.14Å; H114-L155 WeakPolarHBondContact CE1-CB 3.45Å; H114-C156 PolarHBondContact NE2-SG 3.29Å
115G87.7Confident91.4Very high9 Ų924.7 Ų24.79%0.09313%0.125CC..SBendtrans-105.8-174.7-176.700000114.2A82 Q110 L111 R350A82-G115 CarbonylContact O-C 3.6Å; A82-G115 WeakPolarHBondContact O-CA 3.5Å; Q110-G115 WeakPolarHBondContact O-CA 3.49Å; Q110-G115 PolarHBondContact O-N 2.87Å; L111-G115 CarbonylContact O-C 3.48Å; L111-G115 VanDerWaalsContact O-C 3.26Å; L111-G115 WeakPolarHBondContact O-CA 3.46Å; G115-R350 PolarHBondContact O-NH1 2.7Å; G115-R350 VanDerWaalsContact O-NH1 3.14Å
116A90.7Very high91Very high28 Ų2825.7 Ų25.723%0.23114%0.141CC..  trans-86.8-7.9-17600000114.4A82 L85 S118 R350A82-A116 PolarHBondContact O-N 3.29Å; L85-A116 CarbonylContact O-C 3.52Å; L85-A116 WeakPolarHBondContact O-CB 3.43Å; A116-S118 PolarHBondContact O-N 3.27Å; A116-R350 PolarHBondContact O-NH2 3.26Å
117V95.4Very high90.8Very high0 Ų026.7 Ų26.70%015%0.153CC..  trans-57.5116.4-172.5175.40000110.9L85 H86 L88 L111 I112 Q119 V120 R350L85-V117 HydrophobicContact CB-CG2 4.07Å; L85-V117 HydrophobicContact CD2-CG2 3.6Å; L85-V117 HydrophobicContact CG-CG2 3.77Å; L85-V117 PolarHBondContact O-N 2.83Å; H86-V117 CarbonylContact O-C 3.56Å; H86-V117 WeakPolarHBondContact O-CA 3.21Å; L88-V117 HydrophobicContact CB-CG1 3.95Å; L111-V117 HydrophobicContact CB-CG2 3.91Å; L111-V117 WeakPolarHBondContact O-CB 3.23Å; L111-V117 WeakPolarHBondContact O-CG2 3.38Å; L111-V117 PolarHBondContact O-N 3Å; I112-V117 HydrophobicContact CG1-CB 4.2Å; I112-V117 HydrophobicContact CG1-CG1 4.13Å; V117-Q119 WeakPolarHBondContact CG1-O 3.35Å; V117-V120 HydrophobicContact CG1-CG2 4.35Å; V117-R350 PolarHBondContact O-NH1 2.71Å; V117-R350 PolarHBondContact O-NH2 2.96Å
118S94.9Very high90.4Very high35 Ų3528.1 Ų28.125%0.24516%0.162CC..  trans-115.1-9.9-179.262.10000112.7H86 A116 I352 S353 T354H86-S118 PolarHBondContact O-N 3Å; A116-S118 PolarHBondContact O-N 3.27Å; S118-I352 WeakPolarHBondContact O-CB 3.44Å; S118-S353 PolarHBondContact O-N 3.39Å; S118-S353 PolarHBondContact O-OG 3.22Å; S118-T354 PolarHBondContact O-N 3.06Å
119Q96.9Very high90.2Very high45 Ų4530.1 Ų30.121%0.2117%0.171CC..EExtended strand (participates in β ladder)trans-126.8128.4179-177.6-177.219.800110.4H86 T87 L88 V117 T354 E356H86-Q119 PolarHBondContact O-N 3.4Å; H86-Q119 VanDerWaalsContact O-N 3.09Å; T87-Q119 WeakPolarHBondContact CA-O 3.41Å; T87-Q119 HydrophobicContact CG2-CB 4.08Å; T87-Q119 HydrophobicContact CG2-CG 3.83Å; T87-Q119 PolarHBondContact OG1-OE1 3.29Å; L88-Q119 PolarHBondContact N-O 2.69Å; V117-Q119 WeakPolarHBondContact CG1-O 3.35Å; Q119-T354 VanDerWaalsContact CA-O 3.3Å; Q119-T354 WeakPolarHBondContact CA-O 3.05Å; Q119-T354 HydrophobicContact CG-CG2 3.86Å; Q119-E356 PolarHBondContact NE2-OE1 2.93Å
120V97.4Very high90Very high0 Ų031.8 Ų31.80%018%0.184CC..EExtended strand (participates in β ladder)trans-121.5128.9168.2174.50000108.9L88 F90 I112 V117 L122 I136 I352 T354 E356L88-V120 HydrophobicContact CB-CG2 4.39Å; L88-V120 VanDerWaalsContact O-CA 3.31Å; L88-V120 WeakPolarHBondContact O-CA 3.49Å; F90-V120 HydrophobicContact CD2-CG1 4.14Å; F90-V120 HydrophobicContact CE2-CG1 4.01Å; I112-V120 HydrophobicContact CD1-CG2 3.99Å; V117-V120 HydrophobicContact CG1-CG2 4.35Å; V120-L122 HydrophobicContact CG1-CD1 4.05Å; V120-I136 HydrophobicContact CG1-CG2 4.18Å; V120-I352 HydrophobicContact CB-CD1 3.73Å; V120-I352 HydrophobicContact CG2-CD1 3.9Å; V120-I352 HydrophobicContact CG2-CG2 4.1Å; V120-T354 PolarHBondContact N-O 2.97Å; V120-E356 PolarHBondContact O-N 3.44Å
121S96Very high89.9Confident0 Ų031.9 Ų31.90%019%0.194CC..EExtended strand (participates in β ladder)trans-127.9131.6179.4-42.90000110.8L88 K89 F90 Y123 E356L88-S121 PolarHBondContact O-N 2.9Å; K89-S121 CarbonylContact C-O 3.48Å; K89-S121 VanDerWaalsContact CA-O 3.27Å; K89-S121 WeakPolarHBondContact CA-O 3.29Å; F90-S121 PolarHBondContact N-O 3.42Å; S121-Y123 WeakPolarHBondContact CB-OH 3.36Å; S121-Y123 PolarHBondContact OG-OH 2.99Å; S121-E356 CarbonylContact C-O 3.52Å; S121-E356 VanDerWaalsContact CA-O 3.25Å; S121-E356 WeakPolarHBondContact CA-O 3.43Å; S121-E356 WeakPolarHBondContact CB-OE2 3.21Å; S121-E356 PolarHBondContact OG-OE2 2.9Å
122L94.9Very high89.8Confident1 Ų131.9 Ų31.91%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-114.4126.3173.4-64103.5000109.7F90 V120 W125 F133 I136 E356 L357 F358 V360F90-L122 HydrophobicContact CB-CD2 3.95Å; F90-L122 HydrophobicContact CB-CG 4Å; F90-L122 HydrophobicContact CD2-CD2 4.24Å; F90-L122 HydrophobicContact CD2-CG 4.09Å; F90-L122 HydrophobicContact CG-CD2 4.32Å; F90-L122 HydrophobicContact CG-CG 4.44Å; F90-L122 WeakPolarHBondContact O-CA 3.42Å; V120-L122 HydrophobicContact CG1-CD1 4.05Å; L122-W125 HydrophobicContact CD2-CE3 3.91Å; L122-W125 HydrophobicContact CD2-CZ3 3.86Å; L122-F133 HydrophobicContact CD1-CE2 4.5Å; L122-F133 HydrophobicContact CD2-CD2 4.12Å; L122-F133 HydrophobicContact CD2-CE2 4.19Å; L122-I136 HydrophobicContact CD1-CG2 4.15Å; L122-I136 HydrophobicContact CD2-CD1 4.05Å; L122-I136 HydrophobicContact CD2-CG2 4.34Å; L122-E356 PolarHBondContact N-O 3.18Å; L122-L357 HydrophobicContact CB-CD2 3.98Å; L122-L357 HydrophobicContact CD1-CD2 3.39Å; L122-L357 HydrophobicContact CG-CD2 4.25Å; L122-F358 PolarHBondContact O-N 3.41Å; L122-V360 HydrophobicContact CB-CG2 4.1Å
123Y91.5Very high89.7Confident52 Ų5232 Ų3220%0.20420%0.195CC..EExtended strand (participates in β ladder)trans-126138.9-177-55.8-93.1000111.8K89 F90 R91 S121 W125 E356 F358K89-Y123 HydrophobicContact CB-CE2 4.22Å; K89-Y123 HydrophobicContact CD-CE2 3.65Å; K89-Y123 WeakPolarHBondContact CE-OH 3.27Å; K89-Y123 HydrophobicContact CG-CE2 4.02Å; K89-Y123 PolarHBondContact NZ-OH 3.07Å; F90-Y123 PolarHBondContact O-N 3Å; R91-Y123 WeakPolarHBondContact CA-O 3.41Å; S121-Y123 WeakPolarHBondContact CB-OH 3.36Å; S121-Y123 PolarHBondContact OG-OH 2.99Å; Y123-W125 PolarHBondContact O-N 3.28Å; Y123-E356 PolarHBondContact OH-OE2 2.62Å; Y123-F358 CarbonylContact C-O 3.56Å; Y123-F358 WeakPolarHBondContact CA-O 3.38Å; Y123-F358 HydrophobicContact CD1-CB 3.66Å; Y123-F358 AromaticContact CD1-CD2 3.48Å; Y123-F358 HydrophobicContact CD1-CD2 3.48Å; Y123-F358 VanDerWaalsContact CD1-CD2 3.48Å; Y123-F358 HydrophobicContact CD1-CE2 4.29Å; Y123-F358 AromaticContact CD1-CG 3.81Å; Y123-F358 HydrophobicContact CD1-CG 3.81Å; Y123-F358 HydrophobicContact CE1-CB 4.2Å; Y123-F358 AromaticContact CE1-CD2 3.11Å; Y123-F358 HydrophobicContact CE1-CD2 3.11Å; Y123-F358 AromaticContact CE1-CE2 3.47Å; Y123-F358 HydrophobicContact CE1-CE2 3.47Å; Y123-F358 VanDerWaalsContact CE1-CE2 3.47Å; Y123-F358 AromaticContact CE1-CG 3.82Å; Y123-F358 HydrophobicContact CE1-CG 3.82Å; Y123-F358 HydrophobicContact CE1-CZ 4.45Å; Y123-F358 HydrophobicContact CG-CB 4.46Å; Y123-F358 HydrophobicContact CG-CD2 4.47Å; Y123-F358 AromaticContact CZ-CD2 3.9Å
124S85.9Confident89.9Confident36 Ų3632.7 Ų32.725%0.25220%0.199SC..  trans52.961.2164.5-50.10000112.1H92 F358 T359H92-S124 WeakPolarHBondContact CE1-CB 3.11Å; H92-S124 PolarHBondContact N-O 2.88Å; H92-S124 PolarHBondContact ND1-O 3.09Å; S124-F358 PolarHBondContact N-O 3.02Å; S124-T359 WeakPolarHBondContact CA-O 3.32Å; S124-T359 VanDerWaalsContact CA-OG1 3.29Å; S124-T359 WeakPolarHBondContact CA-OG1 3.35Å; S124-T359 PolarHBondContact N-OG1 3.49Å; S124-T359 PolarHBondContact OG-OG1 3.27Å
125W87.3Confident90.1Very high8 Ų830 Ų303%0.0319%0.186CC..  trans-125.482.2179-168.811.4000108.4L93 L122 Y123 V127 P128 E129 L132 F133 I136 T359 V360 P361L93-W125 HydrophobicContact CB-CD2 3.93Å; L93-W125 HydrophobicContact CB-CE3 4.35Å; L93-W125 HydrophobicContact CB-CG 4.44Å; L93-W125 HydrophobicContact CB-CH2 4.22Å; L93-W125 HydrophobicContact CB-CZ2 3.75Å; L93-W125 HydrophobicContact CB-CZ3 4.48Å; L93-W125 HydrophobicContact CD1-CE3 4.14Å; L93-W125 HydrophobicContact CD1-CH2 3.87Å; L93-W125 HydrophobicContact CD1-CZ2 4.26Å; L93-W125 HydrophobicContact CD1-CZ3 3.78Å; L93-W125 VanDerWaalsContact O-CD1 3.25Å; L93-W125 PolarHBondContact O-NE1 3.31Å; L122-W125 HydrophobicContact CD2-CE3 3.91Å; L122-W125 HydrophobicContact CD2-CZ3 3.86Å; Y123-W125 PolarHBondContact O-N 3.28Å; W125-V127 VanDerWaalsContact C-N 3.34Å; W125-V127 PolarHBondContact NE1-O 3.37Å; W125-V127 PolarHBondContact O-N 3.49Å; W125-P128 HydrophobicContact CD2-CB 3.81Å; W125-P128 VanDerWaalsContact CE2-CA 3.47Å; W125-P128 HydrophobicContact CE3-CB 4.07Å; W125-P128 HydrophobicContact CG-CB 4.25Å; W125-P128 HydrophobicContact CH2-CB 4.37Å; W125-P128 HydrophobicContact CZ2-CB 4.16Å; W125-P128 HydrophobicContact CZ3-CB 4.34Å; W125-E129 HydrophobicContact CZ2-CB 4.32Å; W125-L132 HydrophobicContact CH2-CB 4.07Å; W125-L132 HydrophobicContact CH2-CD2 3.71Å; W125-L132 HydrophobicContact CH2-CG 3.78Å; W125-L132 HydrophobicContact CZ2-CD2 3.86Å; W125-L132 HydrophobicContact CZ2-CG 4.38Å; W125-F133 HydrophobicContact CE3-CD2 4.24Å; W125-F133 HydrophobicContact CH2-CB 4.13Å; W125-F133 HydrophobicContact CZ3-CB 4.04Å; W125-F133 AromaticContact CZ3-CD2 3.84Å; W125-F133 HydrophobicContact CZ3-CD2 3.84Å; W125-F133 HydrophobicContact CZ3-CG 4.44Å; W125-I136 HydrophobicContact CZ3-CD1 4.4Å; W125-T359 PolarHBondContact N-O 2.78Å; W125-V360 HydrophobicContact CB-CG1 4.24Å; W125-V360 HydrophobicContact CB-CG2 3.98Å; W125-V360 HydrophobicContact CE3-CG1 4.45Å; W125-P361 VanDerWaalsContact O-CD 3.27Å; W125-P361 WeakPolarHBondContact O-CD 3.49Å
126P83Confident90.4Very high97 Ų9729.5 Ų29.563%0.6318%0.182SC*.SBendtrans-71-27.8-167.626.9-35.1000113.4P128 P361P126-P128 WeakPolarHBondContact O-CD 3.36Å; P126-P361 WeakPolarHBondContact O-CG 3.3Å
127V83.6Confident90.6Very high109 Ų10928.2 Ų28.266%0.66117%0.171SC*.SBendtrans-12481.4176.2-172.60000108.7W125W125-V127 VanDerWaalsContact C-N 3.34Å; W125-V127 PolarHBondContact NE1-O 3.37Å; W125-V127 PolarHBondContact O-N 3.49Å
128P83.3Confident90.4Very high29 Ų2929.7 Ų29.719%0.18818%0.18CC..  trans-74.9127.9-179.527.1-28.6000112W125 P126 S130 F133 V360 P361W125-P128 HydrophobicContact CD2-CB 3.81Å; W125-P128 VanDerWaalsContact CE2-CA 3.47Å; W125-P128 HydrophobicContact CE3-CB 4.07Å; W125-P128 HydrophobicContact CG-CB 4.25Å; W125-P128 HydrophobicContact CH2-CB 4.37Å; W125-P128 HydrophobicContact CZ2-CB 4.16Å; W125-P128 HydrophobicContact CZ3-CB 4.34Å; P126-P128 WeakPolarHBondContact O-CD 3.36Å; P128-S130 PolarHBondContact O-N 3.02Å; P128-S130 VanDerWaalsContact O-N 3.12Å; P128-F133 HydrophobicContact CB-CB 4.44Å; P128-V360 HydrophobicContact CB-CG1 4.19Å; P128-V360 HydrophobicContact CG-CG1 4.13Å; P128-P361 WeakPolarHBondContact CG-O 3.32Å
129E87.8Confident90.3Very high42 Ų4228.2 Ų28.220%0.19617%0.169CC..  trans-67.2107.3169.7-171.9-163.2149.600108.3S96 Q101 W125 A131 L132 F133S96-E129 PolarHBondContact N-OE2 2.84Å; S96-E129 PolarHBondContact OG-OE2 2.88Å; Q101-E129 PolarHBondContact NE2-OE1 3.17Å; W125-E129 HydrophobicContact CZ2-CB 4.32Å; E129-A131 VanDerWaalsContact C-N 3.26Å; E129-A131 PolarHBondContact O-N 3.38Å; E129-A131 VanDerWaalsContact O-N 3.13Å; E129-L132 HydrophobicContact CB-CB 4.09Å; E129-L132 HydrophobicContact CG-CB 4.38Å; E129-L132 PolarHBondContact O-N 3.36Å; E129-F133 PolarHBondContact O-N 2.79Å
130S86.4Confident90.2Very high41 Ų4126 Ų2629%0.28716%0.159SC..Hα-helixtrans-48.4-45.7-172.5-64.20000113P128 L132 F133 I134P128-S130 PolarHBondContact O-N 3.02Å; P128-S130 VanDerWaalsContact O-N 3.12Å; S130-L132 PolarHBondContact O-N 2.87Å; S130-F133 PolarHBondContact O-N 2.74Å; S130-I134 VanDerWaalsContact O-CB 3.23Å; S130-I134 WeakPolarHBondContact O-CB 3.42Å; S130-I134 WeakPolarHBondContact O-CD1 3.44Å; S130-I134 VanDerWaalsContact O-CG1 3.23Å; S130-I134 WeakPolarHBondContact O-CG1 3.45Å; S130-I134 PolarHBondContact O-N 3.18Å
131A87.5Confident89.9Confident57 Ų5726.5 Ų26.547%0.47116%0.163SC..Hα-helixtrans-62.2-42-179.100000112.9E129 L135E129-A131 VanDerWaalsContact C-N 3.26Å; E129-A131 PolarHBondContact O-N 3.38Å; E129-A131 VanDerWaalsContact O-N 3.13Å; A131-L135 VanDerWaalsContact O-CB 3.25Å; A131-L135 WeakPolarHBondContact O-CB 3.4Å; A131-L135 PolarHBondContact O-N 2.81Å
132L89.3Confident89.5Confident0 Ų026.6 Ų26.60%016%0.163CC..Hα-helixtrans-70-41.3177.8-179.260.4000111.5L63 L93 Q101 L104 W125 E129 S130 L135 I136L63-L132 HydrophobicContact CD1-CD1 3.78Å; L63-L132 HydrophobicContact CD1-CD2 4.07Å; L93-L132 HydrophobicContact CD1-CD2 4.14Å; Q101-L132 HydrophobicContact CG-CD1 4.45Å; L104-L132 HydrophobicContact CD2-CD1 3.43Å; L104-L132 VanDerWaalsContact CD2-CD1 3.43Å; W125-L132 HydrophobicContact CH2-CB 4.07Å; W125-L132 HydrophobicContact CH2-CD2 3.71Å; W125-L132 HydrophobicContact CH2-CG 3.78Å; W125-L132 HydrophobicContact CZ2-CD2 3.86Å; W125-L132 HydrophobicContact CZ2-CG 4.38Å; E129-L132 HydrophobicContact CB-CB 4.09Å; E129-L132 HydrophobicContact CG-CB 4.38Å; E129-L132 PolarHBondContact O-N 3.36Å; S130-L132 PolarHBondContact O-N 2.87Å; L132-L135 HydrophobicContact CD1-CD2 4.39Å; L132-L135 WeakPolarHBondContact O-CB 3.4Å; L132-L135 PolarHBondContact O-N 3.48Å; L132-I136 HydrophobicContact CG-CD1 4.38Å; L132-I136 WeakPolarHBondContact O-CG1 3.47Å; L132-I136 PolarHBondContact O-N 3.39Å; L132-I136 VanDerWaalsContact O-N 3.1Å
133F90.7Very high89.1Confident3 Ų327.2 Ų27.21%0.01317%0.166CC..Hα-helixtrans-66.5-47.5177.9-177.2-100.2000111.9L122 W125 P128 E129 S130 L135 I136 L137 L357 V360 L362 A366L122-F133 HydrophobicContact CD1-CE2 4.5Å; L122-F133 HydrophobicContact CD2-CD2 4.12Å; L122-F133 HydrophobicContact CD2-CE2 4.19Å; W125-F133 HydrophobicContact CE3-CD2 4.24Å; W125-F133 HydrophobicContact CH2-CB 4.13Å; W125-F133 HydrophobicContact CZ3-CB 4.04Å; W125-F133 AromaticContact CZ3-CD2 3.84Å; W125-F133 HydrophobicContact CZ3-CD2 3.84Å; W125-F133 HydrophobicContact CZ3-CG 4.44Å; P128-F133 HydrophobicContact CB-CB 4.44Å; E129-F133 PolarHBondContact O-N 2.79Å; S130-F133 PolarHBondContact O-N 2.74Å; F133-L135 VanDerWaalsContact C-N 3.3Å; F133-L135 PolarHBondContact O-N 2.96Å; F133-I136 PolarHBondContact O-N 3.27Å; F133-I136 VanDerWaalsContact O-N 3.16Å; F133-L137 HydrophobicContact CD1-CD1 4Å; F133-L137 HydrophobicContact CD1-CG 4.35Å; F133-L137 HydrophobicContact CE1-CD1 3.32Å; F133-L137 HydrophobicContact CE1-CG 3.88Å; F133-L137 HydrophobicContact CZ-CD1 3.76Å; F133-L137 HydrophobicContact CZ-CD2 4.15Å; F133-L137 HydrophobicContact CZ-CG 3.98Å; F133-L137 PolarHBondContact O-N 3.26Å; F133-L357 HydrophobicContact CE2-CD1 4.47Å; F133-L357 HydrophobicContact CE2-CD2 4.04Å; F133-L357 HydrophobicContact CZ-CD1 3.84Å; F133-L357 HydrophobicContact CZ-CD2 4.17Å; F133-V360 HydrophobicContact CD2-CG1 4.22Å; F133-V360 HydrophobicContact CE2-CG1 3.91Å; F133-L362 HydrophobicContact CD1-CD2 4.47Å; F133-L362 HydrophobicContact CE1-CD2 3.38Å; F133-L362 HydrophobicContact CZ-CD2 3.46Å; F133-L362 VanDerWaalsContact CZ-CD2 3.46Å; F133-A366 HydrophobicContact CD1-CB 3.7Å; F133-A366 HydrophobicContact CE1-CB 3.83Å
134I91.6Very high88.5Confident28 Ų2826.3 Ų26.314%0.14416%0.162CC..Hα-helixtrans-58.9-41174.8-74.6166.6000111S130 L137 T138 E365 T369S130-I134 VanDerWaalsContact O-CB 3.23Å; S130-I134 WeakPolarHBondContact O-CB 3.42Å; S130-I134 WeakPolarHBondContact O-CD1 3.44Å; S130-I134 VanDerWaalsContact O-CG1 3.23Å; S130-I134 WeakPolarHBondContact O-CG1 3.45Å; S130-I134 PolarHBondContact O-N 3.18Å; I134-L137 PolarHBondContact O-N 2.89Å; I134-T138 VanDerWaalsContact O-CB 3.22Å; I134-T138 WeakPolarHBondContact O-CB 3.49Å; I134-T138 PolarHBondContact O-N 3.17Å; I134-T138 PolarHBondContact O-OG1 3.33Å; I134-E365 HydrophobicContact CD1-CG 3.89Å; I134-T369 HydrophobicContact CG1-CG2 4.33Å; I134-T369 HydrophobicContact CG2-CG2 4.14Å
135L91.3Very high87.8Confident9 Ų928.3 Ų28.35%0.04717%0.168CC..Hα-helixtrans-57.5-50.5173.3164.562.5000111.9L104 R105 A131 L132 F133 L137 T138 M139L104-L135 HydrophobicContact CD2-CD2 4.41Å; R105-L135 HydrophobicContact CG-CD1 3.5Å; R105-L135 VanDerWaalsContact CG-CD1 3.5Å; R105-L135 HydrophobicContact CG-CD2 3.79Å; R105-L135 HydrophobicContact CG-CG 4.28Å; A131-L135 VanDerWaalsContact O-CB 3.25Å; A131-L135 WeakPolarHBondContact O-CB 3.4Å; A131-L135 PolarHBondContact O-N 2.81Å; L132-L135 HydrophobicContact CD1-CD2 4.39Å; L132-L135 WeakPolarHBondContact O-CB 3.4Å; L132-L135 PolarHBondContact O-N 3.48Å; F133-L135 VanDerWaalsContact C-N 3.3Å; F133-L135 PolarHBondContact O-N 2.96Å; L135-L137 PolarHBondContact O-N 3.34Å; L135-T138 PolarHBondContact O-N 3.43Å; L135-M139 HydrophobicContact CD1-CG 3.9Å; L135-M139 HydrophobicContact CD1-SD 3.84Å; L135-M139 WeakPolarHBondContact O-CG 3.39Å; L135-M139 PolarHBondContact O-N 2.8Å
136I93.2Very high86.7Confident0 Ų032.2 Ų32.20%019%0.194CC..Hα-helixtrans-61-45-179.6-66.5164.5000110.5F90 L93 L104 L108 V120 L122 W125 L132 F133 S140F90-I136 HydrophobicContact CD1-CD1 4.31Å; F90-I136 HydrophobicContact CD2-CD1 4.33Å; F90-I136 HydrophobicContact CD2-CG2 4.28Å; F90-I136 HydrophobicContact CE1-CD1 4.3Å; F90-I136 HydrophobicContact CE2-CD1 4.33Å; F90-I136 HydrophobicContact CE2-CG2 3.94Å; F90-I136 HydrophobicContact CG-CD1 4.31Å; F90-I136 HydrophobicContact CZ-CD1 4.32Å; F90-I136 HydrophobicContact CZ-CG1 4.46Å; L93-I136 HydrophobicContact CD1-CD1 4.05Å; L104-I136 HydrophobicContact CD2-CD1 4.11Å; L104-I136 HydrophobicContact CD2-CG1 3.89Å; L108-I136 HydrophobicContact CD1-CG1 4.27Å; V120-I136 HydrophobicContact CG1-CG2 4.18Å; L122-I136 HydrophobicContact CD1-CG2 4.15Å; L122-I136 HydrophobicContact CD2-CD1 4.05Å; L122-I136 HydrophobicContact CD2-CG2 4.34Å; W125-I136 HydrophobicContact CZ3-CD1 4.4Å; L132-I136 HydrophobicContact CG-CD1 4.38Å; L132-I136 WeakPolarHBondContact O-CG1 3.47Å; L132-I136 PolarHBondContact O-N 3.39Å; L132-I136 VanDerWaalsContact O-N 3.1Å; F133-I136 PolarHBondContact O-N 3.27Å; F133-I136 VanDerWaalsContact O-N 3.16Å; I136-S140 VanDerWaalsContact O-CB 3.27Å; I136-S140 WeakPolarHBondContact O-CB 3.34Å; I136-S140 PolarHBondContact O-N 2.98Å; I136-S140 PolarHBondContact O-OG 3.3Å
137L94.1Very high85.7Confident1 Ų128.5 Ų28.51%0.00517%0.174CC..Hα-helixtrans-62.4-49.1177-71.1-172.4000112.5F133 I134 L135 M139 S140 A141 L355 L370 L373F133-L137 HydrophobicContact CD1-CD1 4Å; F133-L137 HydrophobicContact CD1-CG 4.35Å; F133-L137 HydrophobicContact CE1-CD1 3.32Å; F133-L137 HydrophobicContact CE1-CG 3.88Å; F133-L137 HydrophobicContact CZ-CD1 3.76Å; F133-L137 HydrophobicContact CZ-CD2 4.15Å; F133-L137 HydrophobicContact CZ-CG 3.98Å; F133-L137 PolarHBondContact O-N 3.26Å; I134-L137 PolarHBondContact O-N 2.89Å; L135-L137 PolarHBondContact O-N 3.34Å; L137-M139 VanDerWaalsContact C-N 3.34Å; L137-M139 PolarHBondContact O-N 2.79Å; L137-S140 WeakPolarHBondContact O-CB 3.27Å; L137-S140 PolarHBondContact O-N 3.1Å; L137-S140 VanDerWaalsContact O-N 3.16Å; L137-A141 WeakPolarHBondContact O-CB 3.31Å; L137-A141 PolarHBondContact O-N 3.32Å; L137-L355 HydrophobicContact CD2-CD1 4.23Å; L137-L355 HydrophobicContact CD2-CD2 3.95Å; L137-L370 HydrophobicContact CD1-CB 3.94Å; L137-L370 HydrophobicContact CD1-CD1 4.14Å; L137-L370 HydrophobicContact CD2-CD1 4.25Å; L137-L373 HydrophobicContact CB-CD1 3.86Å
138T92.3Very high84.3Confident31 Ų3129.6 Ų29.619%0.1918%0.183CC..Hα-helixtrans-59-46-177-59.40000111I134 L135 A141 G142 F143 L343I134-T138 VanDerWaalsContact O-CB 3.22Å; I134-T138 WeakPolarHBondContact O-CB 3.49Å; I134-T138 PolarHBondContact O-N 3.17Å; I134-T138 PolarHBondContact O-OG1 3.33Å; L135-T138 PolarHBondContact O-N 3.43Å; T138-A141 PolarHBondContact O-N 3.37Å; T138-G142 PolarHBondContact O-N 3.31Å; T138-F143 HydrophobicContact CG2-CB 3.65Å; T138-F143 WeakPolarHBondContact O-CB 3.42Å; T138-F143 PolarHBondContact O-N 3.43Å; T138-L343 HydrophobicContact CG2-CD2 4.27Å
139M92.3Very high82.9Confident3 Ų332.3 Ų32.32%0.01522%0.217CC..Hα-helixtrans-69.4-37.8176-71-157.565.100113.1R105 L108 H109 H113 L135 L137 A141 G142 W144R105-M139 HydrophobicContact CG-SD 4.44Å; L108-M139 HydrophobicContact CB-CB 4.35Å; L108-M139 HydrophobicContact CB-CE 3.5Å; L108-M139 VanDerWaalsContact CB-CE 3.5Å; L108-M139 HydrophobicContact CB-SD 3.61Å; L108-M139 HydrophobicContact CD1-CB 4.12Å; L108-M139 HydrophobicContact CD1-CG 4.4Å; L108-M139 HydrophobicContact CD1-SD 3.82Å; L108-M139 HydrophobicContact CG-SD 4.37Å; H109-M139 HydrophobicContact CB-CE 3.9Å; H109-M139 VanDerWaalsContact N-CE 3.3Å; H113-M139 PolarHBondContact CE1-O 3.3Å; H113-M139 WeakPolarHBondContact NE2-CE 3.35Å; L135-M139 HydrophobicContact CD1-CG 3.9Å; L135-M139 HydrophobicContact CD1-SD 3.84Å; L135-M139 WeakPolarHBondContact O-CG 3.39Å; L135-M139 PolarHBondContact O-N 2.8Å; L137-M139 VanDerWaalsContact C-N 3.34Å; L137-M139 PolarHBondContact O-N 2.79Å; M139-A141 VanDerWaalsContact C-N 3.25Å; M139-A141 PolarHBondContact O-N 3.1Å; M139-G142 PolarHBondContact O-N 2.98Å; M139-W144 HydrophobicContact CE-CD2 4.37Å; M139-W144 HydrophobicContact CE-CE3 3.29Å; M139-W144 HydrophobicContact CE-CZ3 3.46Å; M139-W144 VanDerWaalsContact CE-CZ3 3.46Å; M139-W144 HydrophobicContact CG-CE3 4.44Å; M139-W144 HydrophobicContact SD-CE3 3.71Å; M139-W144 HydrophobicContact SD-CZ3 3.62Å
140S94.3Very high81.3Confident0 Ų032.1 Ų32.10%023%0.226CC..Hα-helixtrans-60.9-38.1175.4-61.20000111.5I136 L137 G142 S351 I352 W377I136-S140 VanDerWaalsContact O-CB 3.27Å; I136-S140 WeakPolarHBondContact O-CB 3.34Å; I136-S140 PolarHBondContact O-N 2.98Å; I136-S140 PolarHBondContact O-OG 3.3Å; L137-S140 WeakPolarHBondContact O-CB 3.27Å; L137-S140 PolarHBondContact O-N 3.1Å; L137-S140 VanDerWaalsContact O-N 3.16Å; S140-G142 PolarHBondContact O-N 3.49Å; S140-S351 WeakPolarHBondContact O-CA 3.18Å; S140-S351 WeakPolarHBondContact O-CB 3.4Å; S140-I352 WeakPolarHBondContact O-CG1 3.5Å; S140-I352 PolarHBondContact O-N 3.14Å; S140-W377 VanDerWaalsContact C-CZ2 3.44Å; S140-W377 WeakPolarHBondContact O-CZ2 3.43Å
141A91.6Very high79.8Confident9 Ų935.4 Ų35.47%0.07425%0.246CC..THydrogen-bonded Turntrans-75.55.2175.500000114.6L137 T138 M139 F143 L373 W377L137-A141 WeakPolarHBondContact O-CB 3.31Å; L137-A141 PolarHBondContact O-N 3.32Å; T138-A141 PolarHBondContact O-N 3.37Å; M139-A141 VanDerWaalsContact C-N 3.25Å; M139-A141 PolarHBondContact O-N 3.1Å; A141-F143 HydrophobicContact CB-CD2 3.92Å; A141-F143 HydrophobicContact CB-CE2 4.17Å; A141-F143 WeakPolarHBondContact O-CD2 3.2Å; A141-L373 HydrophobicContact CB-CB 4Å; A141-L373 HydrophobicContact CB-CD1 4.16Å; A141-L373 HydrophobicContact CB-CD2 3.92Å; A141-L373 HydrophobicContact CB-CG 4.25Å; A141-W377 HydrophobicContact CB-CD2 3.96Å; A141-W377 HydrophobicContact CB-CE3 3.96Å; A141-W377 HydrophobicContact CB-CH2 4.14Å; A141-W377 HydrophobicContact CB-CZ2 4.13Å; A141-W377 HydrophobicContact CB-CZ3 4.07Å
142G88.6Confident78.6Confident2 Ų237.8 Ų37.82%0.02126%0.257CS..THydrogen-bonded Turntrans88.64.8174.400000115T138 M139 S140 F349T138-G142 PolarHBondContact O-N 3.31Å; M139-G142 PolarHBondContact O-N 2.98Å; S140-G142 PolarHBondContact O-N 3.49Å; G142-F349 PolarHBondContact O-N 3.05Å
143F85.1Confident77.6Confident14 Ų1439 Ų396%0.06127%0.265CS..EExtended strand (participates in β ladder)trans-92.9120.7179.3-63.4-91.6000110.8T138 A141 L343 L373T138-F143 HydrophobicContact CG2-CB 3.65Å; T138-F143 WeakPolarHBondContact O-CB 3.42Å; T138-F143 PolarHBondContact O-N 3.43Å; A141-F143 HydrophobicContact CB-CD2 3.92Å; A141-F143 HydrophobicContact CB-CE2 4.17Å; A141-F143 WeakPolarHBondContact O-CD2 3.2Å; F143-L343 HydrophobicContact CB-CD2 3.93Å; F143-L343 HydrophobicContact CD1-CD2 3.52Å; F143-L343 HydrophobicContact CD2-CD2 4.32Å; F143-L343 HydrophobicContact CE1-CD2 4.03Å; F143-L343 HydrophobicContact CG-CD2 3.67Å; F143-L373 HydrophobicContact CD2-CD2 3.57Å; F143-L373 HydrophobicContact CE2-CD2 3.62Å; F143-L373 HydrophobicContact CG-CD2 4.46Å
144W80.1Confident76.3Confident33 Ų3348.2 Ų48.213%0.12530%0.3CS..EExtended strand (participates in β ladder)trans-123.2133.1176.9172.8-110.8000111.4R105 H109 M139 F349R105-W144 HydrophobicContact CB-CH2 3.96Å; R105-W144 HydrophobicContact CB-CZ3 3.79Å; R105-W144 HydrophobicContact CG-CZ3 4.28Å; R105-W144 WeakPolarHBondContact O-CZ3 3.46Å; H109-W144 HydrophobicContact CB-CE3 4.31Å; H109-W144 HydrophobicContact CB-CH2 3.93Å; H109-W144 HydrophobicContact CB-CZ2 4.27Å; H109-W144 HydrophobicContact CB-CZ3 3.96Å; H109-W144 AromaticContact CE1-CD1 3.84Å; H109-W144 AromaticContact CE1-CE2 3.79Å; H109-W144 AromaticContact CE1-NE1 3.59Å; H109-W144 AromaticContact CG-CZ2 3.99Å; H109-W144 AromaticContact ND1-CD1 3.83Å; H109-W144 AromaticContact ND1-CD2 3.44Å; H109-W144 AromaticContact ND1-CE2 3.36Å; H109-W144 AromaticContact ND1-CE3 3.96Å; H109-W144 AromaticContact ND1-CG 3.72Å; H109-W144 AromaticContact ND1-CZ2 3.78Å; H109-W144 AromaticContact ND1-NE1 3.62Å; M139-W144 HydrophobicContact CE-CD2 4.37Å; M139-W144 HydrophobicContact CE-CE3 3.29Å; M139-W144 HydrophobicContact CE-CZ3 3.46Å; M139-W144 VanDerWaalsContact CE-CZ3 3.46Å; M139-W144 HydrophobicContact CG-CE3 4.44Å; M139-W144 HydrophobicContact SD-CE3 3.71Å; M139-W144 HydrophobicContact SD-CZ3 3.62Å; W144-F349 HydrophobicContact CB-CD2 3.54Å; W144-F349 HydrophobicContact CB-CE2 3.62Å; W144-F349 AromaticContact CD1-CE2 3.62Å; W144-F349 HydrophobicContact CG-CD2 4.29Å; W144-F349 AromaticContact CG-CE2 3.97Å; W144-F349 HydrophobicContact CG-CE2 3.97Å
145Q69.7Low74.9Confident79 Ų7951 Ų5137%0.36931%0.314SS..  trans-121125.7165.1-66.5179.6-6.500108G147 P341 A342 S346Q145-G147 PolarHBondContact O-N 2.9Å; Q145-P341 PolarHBondContact NE2-O 3.15Å; Q145-P341 VanDerWaalsContact NE2-O 3.08Å; Q145-A342 PolarHBondContact NE2-O 2.96Å; Q145-A342 VanDerWaalsContact NE2-O 3.1Å; Q145-S346 VanDerWaalsContact CG-OG 3.25Å; Q145-S346 WeakPolarHBondContact CG-OG 3.47Å; Q145-S346 PolarHBondContact NE2-OG 3.22Å
146P64.6Low73.8Confident89 Ų8951.2 Ų51.258%0.57832%0.316SS*.PPolyproline II helixtrans-61.8130.1171.726.9-32.7000109.2
147G63Low72.1Confident20 Ų2052.4 Ų52.421%0.20633%0.329CS..PPolyproline II helixtrans-62.5150.6178.900000112Q145 G149 G150Q145-G147 PolarHBondContact O-N 2.9Å; G147-G149 PolarHBondContact O-N 2.9Å; G147-G149 VanDerWaalsContact O-N 3.14Å; G147-G150 PolarHBondContact O-N 3.11Å
148P53.6Low69.8Low131 Ų13158.6 Ų58.685%0.85136%0.358SS*.THydrogen-bonded Turntrans-57.9120.1179.423.8-33.3000110.6
149G53.6Low67.5Low87 Ų8760.9 Ų60.990%0.89738%0.38SS*.THydrogen-bonded Turntrans84.3-0.2-177.400000116.1G147G147-G149 PolarHBondContact O-N 2.9Å; G147-G149 VanDerWaalsContact O-N 3.14Å
150G54.5Low65.1Low38 Ų3863.5 Ų63.539%0.39240%0.399SS..PPolyproline II helixtrans-72.3138.617600000112.5G147G147-G150 PolarHBondContact O-N 3.11Å
151P54.5Low62.6Low109 Ų10974 Ų7471%0.70844%0.438SS*.PPolyproline II helixtrans-62.8140.2172.327.1-33.7000110C153P151-C153 PolarHBondContact O-N 3.08Å
152P61.9Low59.9Low108 Ų10877.1 Ų77.170%0.70147%0.471SS*.PPolyproline II helixtrans-61.7133.7177.425.7-33.6000109.9R154P152-R154 PolarHBondContact O-N 2.78Å
153C69.1Low57.6Low25 Ų2587.7 Ų87.717%0.16951%0.51CS..PPolyproline II helixtrans-58.9124.6175.1178.80000109.3H109 P151 L155 C156 G157H109-C153 VanDerWaalsContact NE2-CB 3.27Å; H109-C153 WeakPolarHBondContact NE2-CB 3.48Å; H109-C153 PolarHBondContact NE2-SG 3.4Å; P151-C153 PolarHBondContact O-N 3.08Å; C153-L155 PolarHBondContact O-N 2.65Å; C153-C156 HydrophobicContact CB-CB 4.12Å; C153-C156 PolarHBondContact O-N 3.05Å; C153-G157 PolarHBondContact O-N 2.97Å
154R63.6Low54.8Low196 Ų19691 Ų9174%0.7454%0.541SS*.Hα-helixtrans-56.7-41.8-177.2-64.1-173.7-178.7-169.90.1111.4P152 C156 G157 E158P152-R154 PolarHBondContact O-N 2.78Å; R154-C156 VanDerWaalsContact C-N 3.33Å; R154-C156 PolarHBondContact O-N 3.47Å; R154-G157 PolarHBondContact O-N 2.89Å; R154-E158 WeakPolarHBondContact O-CG 3.28Å; R154-E158 PolarHBondContact O-N 2.84Å
155L61.5Low52.7Low87 Ų8795.2 Ų95.246%0.45557%0.572SS.*Hα-helixtrans-63.7-34178.2-56.5174.1000112.8H114 C153H114-L155 HydrophobicContact CB-CD1 4.14Å; H114-L155 WeakPolarHBondContact CE1-CB 3.45Å; C153-L155 PolarHBondContact O-N 2.65Å
156C69.3Low50.7Low13 Ų1397.3 Ų97.39%0.08860%0.595CS.*Hα-helixtrans-80.6-33.2174.8-51.60000112.9H109 H114 C153 R154 E158 A159 S160 F349H109-C156 PolarHBondContact CE1-SG 3.04Å; H109-C156 PolarHBondContact NE2-SG 3Å; H109-C156 VanDerWaalsContact NE2-SG 3.39Å; H114-C156 PolarHBondContact NE2-SG 3.29Å; C153-C156 HydrophobicContact CB-CB 4.12Å; C153-C156 PolarHBondContact O-N 3.05Å; R154-C156 VanDerWaalsContact C-N 3.33Å; R154-C156 PolarHBondContact O-N 3.47Å; C156-E158 VanDerWaalsContact C-N 3.32Å; C156-A159 PolarHBondContact O-N 2.63Å; C156-S160 PolarHBondContact O-N 3.37Å; C156-S160 VanDerWaalsContact O-N 3.17Å; C156-S160 PolarHBondContact O-OG 2.76Å; C156-F349 HydrophobicContact CB-CE1 4.32Å; C156-F349 HydrophobicContact CB-CZ 4.16Å; C156-F349 WeakPolarHBondContact SG-CE1 3.33Å; C156-F349 VanDerWaalsContact SG-CZ 3.58Å
157G56.5Low49.4Very low25 Ų25104.6 Ų104.626%0.25861%0.611SS.*Hα-helixtrans-66.8-32.7177.400000112.9C153 R154 S160 R161C153-G157 PolarHBondContact O-N 2.97Å; R154-G157 PolarHBondContact O-N 2.89Å; G157-S160 WeakPolarHBondContact CA-OG 3.43Å; G157-S160 PolarHBondContact O-OG 2.86Å; G157-R161 WeakPolarHBondContact O-CG 3.46Å; G157-R161 PolarHBondContact O-N 2.94Å
158E47.3Very low47.8Very low131 Ų131111 Ų11161%0.61264%0.641SS**Hα-helixtrans-72.3-44.5175-73.5166.7-173.400111.5R154 C156 S160 R161R154-E158 WeakPolarHBondContact O-CG 3.28Å; R154-E158 PolarHBondContact O-N 2.84Å; C156-E158 VanDerWaalsContact C-N 3.32Å; E158-S160 VanDerWaalsContact C-N 3.25Å; E158-S160 PolarHBondContact O-N 3.08Å; E158-R161 PolarHBondContact O-N 2.67Å; E158-R161 VanDerWaalsContact O-N 3.15Å
159A42.3Very low46.7Very low79 Ų79113.8 Ų113.865%0.65364%0.643SS**Hα-helixtrans-60.4-32.6175.900000113.4C156C156-A159 PolarHBondContact O-N 2.63Å
160S43.3Very low45.4Very low59 Ų59113.3 Ų113.341%0.41364%0.637SS.*Hα-helixtrans-82.4-20.4177.742.50000114C156 G157 E158 G162 R163C156-S160 PolarHBondContact O-N 3.37Å; C156-S160 VanDerWaalsContact O-N 3.17Å; C156-S160 PolarHBondContact O-OG 2.76Å; G157-S160 WeakPolarHBondContact CA-OG 3.43Å; G157-S160 PolarHBondContact O-OG 2.86Å; E158-S160 VanDerWaalsContact C-N 3.25Å; E158-S160 PolarHBondContact O-N 3.08Å; S160-G162 VanDerWaalsContact C-N 3.31Å; S160-R163 PolarHBondContact O-N 3.27Å
161R40.9Very low44.5Very low220 Ų220117 Ų11783%0.8366%0.657SS**Hα-helixtrans-71.1-23.1170.5-79.1177.6176-157.9-1.9113.6G157 E158 R163G157-R161 WeakPolarHBondContact O-CG 3.46Å; G157-R161 PolarHBondContact O-N 2.94Å; E158-R161 PolarHBondContact O-N 2.67Å; E158-R161 VanDerWaalsContact O-N 3.15Å; R161-R163 PolarHBondContact O-N 3.35Å
162G35.5Very low43.2Very low74 Ų74118.9 Ų118.976%0.76366%0.66SS**THydrogen-bonded Turntrans-70.5-5.9172.900000114.7S160S160-G162 VanDerWaalsContact C-N 3.31Å
163R39.4Very low41.8Very low224 Ų224120.8 Ų120.885%0.84566%0.664SS**SBendtrans-130.665.6-178.9-154.2179.3-159.5-1605.4110.9S160 R161S160-R163 PolarHBondContact O-N 3.27Å; R161-R163 PolarHBondContact O-N 3.35Å
164A26.3Very low39.9Very low85 Ų85127.4 Ų127.470%0.70270%0.697SS**  trans-57.1131.4174.200000110.7S166A164-S166 PolarHBondContact O-N 3.03Å
165P36.2Very low38.2Very low120 Ų120121.8 Ų121.878%0.77970%0.7SS**  trans-69.3112.7162.329-29.9000107.3R167P165-R167 PolarHBondContact O-N 2.93Å
166S28.3Very low36.5Very low123 Ų123123.7 Ų123.786%0.8672%0.72SS**  trans-61.7104.1173.652.90000109A164A164-S166 PolarHBondContact O-N 3.03Å
167R37.2Very low34.6Very low243 Ų243134.6 Ų134.692%0.91776%0.76SS**  trans-97.698.9175.3-174.4-176.4-173.8-172.11.3107.6P165P165-R167 PolarHBondContact O-N 2.93Å
168D29Very low33.4Very low153 Ų153144.9 Ų144.982%0.81879%0.791SS**  trans-145.9158.8159.7-144.4-13.9000111.2
169E31.6Very low32.7Very low191 Ų191144.8 Ų144.889%0.89380%0.801SS**  trans-78.5167.7-169.1-58.9-171.111100113.8
170G26.1Very low32.1Very low76 Ų76151.3 Ų151.378%0.78481%0.809SS**  trans154.882.6166.400000114.9
171S34.4Very low32Very low117 Ų117159 Ų15982%0.81883%0.829SS**  trans-66.6129.7158.1179.90000109.1
172L28Very low32Very low147 Ų147152.1 Ų152.177%0.7781%0.809SS**  trans176.2112.9138.8-94.5164.2000112.3
173L31.7Very low32.1Very low148 Ų148151.7 Ų151.778%0.77580%0.798SS**  trans44142.8141.7-65174000124.1
174L29.3Very low32.1Very low165 Ų165144.8 Ų144.886%0.86479%0.789SS**  trans77.195149.4-85.9149.4000120.2
175G27.6Very low32.8Very low77 Ų77147.8 Ų147.879%0.79479%0.788SS**  102.993.9114.900000118.9
176S27.6Very low33Very low128 Ų128150.5 Ų150.590%0.89578%0.783SS**  trans-150.6158.9144-159.80000112.6
177R28.3Very low33.5Very low241 Ų241148.7 Ų148.791%0.90977%0.769SS**PPolyproline II helixtrans-80.1135.7-158.8-63.4172.7172.8-166.2-3.1113.2
178R31.9Very low33.7Very low242 Ų242139.8 Ų139.891%0.91375%0.747SS**PPolyproline II helixtrans-81.3131.6164.4-68.1-177.8177.9-179.8-0.5110.8
179P31.8Very low34.4Very low128 Ų128135.6 Ų135.683%0.83173%0.734SS**PPolyproline II helixtrans-69.3148.3158.5-17.332.5000111.3
180R30.4Very low34.9Very low216 Ų216129.6 Ų129.682%0.81572%0.717SS**PPolyproline II helixtrans-64150.5-173.5-81.8171.2140.5136.20.4114.2D182R180-D182 WeakPolarHBondContact CD-OD2 3.24Å; R180-D182 WeakPolarHBondContact CG-OD2 3.45Å; R180-D182 IonicContact CZ-OD2 3.58Å; R180-D182 IonicContact NE-OD2 3.92Å; R180-D182 PolarHBondContact NE-OD2 3Å
181R40.9Very low35.8Very low221 Ų221131.9 Ų131.983%0.83471%0.711SS**  trans-107.716.2177.7-147.4178.8-168178.93.1112.5A183R181-A183 VanDerWaalsContact C-N 3.33Å; R181-A183 PolarHBondContact O-N 2.94Å
182D41.7Very low36.3Very low76 Ų76132.4 Ų132.441%0.40670%0.702SS.*THydrogen-bonded Turntrans-8714.3-156.2-48.4-7.7000114.7R180 R186R180-D182 WeakPolarHBondContact CD-OD2 3.24Å; R180-D182 WeakPolarHBondContact CG-OD2 3.45Å; R180-D182 IonicContact CZ-OD2 3.58Å; R180-D182 IonicContact NE-OD2 3.92Å; R180-D182 PolarHBondContact NE-OD2 3Å; D182-R186 VanDerWaalsContact O-CZ 3.26Å; D182-R186 PolarHBondContact O-NE 3.34Å; D182-R186 PolarHBondContact O-NH2 2.83Å
183A37.2Very low37.1Very low64 Ų64128.5 Ų128.553%0.52969%0.691SS.*THydrogen-bonded Turntrans-102-53.1-178.100000112.8R181 E185 R186R181-A183 VanDerWaalsContact C-N 3.33Å; R181-A183 PolarHBondContact O-N 2.94Å; A183-E185 VanDerWaalsContact C-N 3.32Å; A183-E185 PolarHBondContact O-N 3.21Å; A183-R186 PolarHBondContact O-N 3.08Å
184A38.9Very low37.8Very low79 Ų79124.9 Ų124.965%0.65368%0.678SS**Hα-helixtrans-63-37.3-176.900000112.8R186 C187 A188A184-R186 VanDerWaalsContact C-N 3.33Å; A184-R186 PolarHBondContact O-N 3.08Å; A184-C187 PolarHBondContact O-N 3.46Å; A184-A188 PolarHBondContact O-N 2.78Å
185E40.7Very low38.5Very low148 Ų148124.8 Ų124.869%0.69267%0.666SS**Hα-helixtrans-69.1-29.9-176.2-148.8161.4-147.800112.5A183 A189A183-E185 VanDerWaalsContact C-N 3.32Å; A183-E185 PolarHBondContact O-N 3.21Å; E185-A189 PolarHBondContact O-N 3.32Å
186R41.2Very low39.2Very low178 Ų178131.2 Ų131.267%0.67267%0.666SS**Hα-helixtrans-72.8-34.4174.4-77.9-175-72.5141.40.7113D182 A183 A184 A190D182-R186 VanDerWaalsContact O-CZ 3.26Å; D182-R186 PolarHBondContact O-NE 3.34Å; D182-R186 PolarHBondContact O-NH2 2.83Å; A183-R186 PolarHBondContact O-N 3.08Å; A184-R186 VanDerWaalsContact C-N 3.33Å; A184-R186 PolarHBondContact O-N 3.08Å; R186-A190 PolarHBondContact O-N 2.92Å
187C38.6Very low39.7Very low84 Ų84133.8 Ų133.857%0.56866%0.661SS**Hα-helixtrans-68.5-40.4174.2-70.50000111.9A184 A189 A190 L191A184-C187 PolarHBondContact O-N 3.46Å; C187-A189 PolarHBondContact O-N 3.41Å; C187-A190 PolarHBondContact O-N 2.9Å; C187-L191 PolarHBondContact O-N 3.3Å
188A40.8Very low40.3Very low56 Ų56126.4 Ų126.446%0.46365%0.646SS.*Hα-helixtrans-61.8-4317600000112.3A184 A190 L191 M192A184-A188 PolarHBondContact O-N 2.78Å; A188-A190 PolarHBondContact O-N 2.77Å; A188-L191 PolarHBondContact O-N 3.13Å; A188-M192 WeakPolarHBondContact O-CG 3.44Å; A188-M192 PolarHBondContact O-N 2.95Å
189A44.4Very low40.6Very low66 Ų66121.6 Ų121.655%0.54564%0.635SS.*Hα-helixtrans-63.1-39.4177.500000113E185 C187 M192 A193E185-A189 PolarHBondContact O-N 3.32Å; C187-A189 PolarHBondContact O-N 3.41Å; A189-M192 PolarHBondContact O-N 3.09Å; A189-A193 PolarHBondContact O-N 3.25Å
190A42.5Very low40.9Very low64 Ų64119.9 Ų119.953%0.52963%0.631SS.*Hα-helixtrans-66.2-39.9179.100000112.9R186 C187 A188 A193 S194R186-A190 PolarHBondContact O-N 2.92Å; C187-A190 PolarHBondContact O-N 2.9Å; A188-A190 PolarHBondContact O-N 2.77Å; A190-A193 PolarHBondContact O-N 2.95Å; A190-S194 PolarHBondContact O-N 3.37Å
191L43.6Very low41.5Very low124 Ų124118.5 Ų118.565%0.64963%0.631SS**Hα-helixtrans-68.6-31.4177.2-74.7167.2000113.1C187 A188 S194C187-L191 PolarHBondContact O-N 3.3Å; A188-L191 PolarHBondContact O-N 3.13Å; L191-S194 PolarHBondContact O-OG 2.94Å
192M46.2Very low41.2Very low129 Ų129116.9 Ų116.964%0.63563%0.633SS**Hα-helixtrans-77.3-23.3176.1-65.1-64.6-98.500112.7A188 A189A188-M192 WeakPolarHBondContact O-CG 3.44Å; A188-M192 PolarHBondContact O-N 2.95Å; A189-M192 PolarHBondContact O-N 3.09Å
193A44.7Very low40.8Very low65 Ų65122 Ų12254%0.53766%0.657SS.*Hα-helixtrans-76.1-34.2175.500000113.2A189 A190A189-A193 PolarHBondContact O-N 3.25Å; A190-A193 PolarHBondContact O-N 2.95Å
194S46.5Very low40.8Very low72 Ų72125 Ų12550%0.50367%0.67SS.*Hα-helixtrans-70.4-41177.155.90000112.2A190 L191 R196 K197A190-S194 PolarHBondContact O-N 3.37Å; L191-S194 PolarHBondContact O-OG 2.94Å; S194-R196 VanDerWaalsContact C-N 3.34Å; S194-R196 PolarHBondContact O-N 2.91Å; S194-K197 PolarHBondContact O-N 3.34Å
195R42.9Very low40.4Very low163 Ų163133.2 Ų133.262%0.61568%0.684SS**Hα-helixtrans-61-37-179.4-166.4174.6-178.5172.84.7113.7K197 S198R195-K197 PolarHBondContact O-N 3.45Å; R195-S198 PolarHBondContact O-N 2.92Å; R195-S198 PolarHBondContact O-OG 3.44Å
196R43.2Very low39.9Very low212 Ų212130.6 Ų130.680%0.869%0.688SS**Hα-helixtrans-70.9-12.9176.5-73.3-175.8174.7175.8-0.3114.3S194S194-R196 VanDerWaalsContact C-N 3.34Å; S194-R196 PolarHBondContact O-N 2.91Å
197K37.6Very low39.2Very low182 Ų182126.7 Ų126.779%0.79169%0.694SS**Hα-helixtrans-93-19.3-179.4-143172.4-173.8178.40113.1S194 R195S194-K197 PolarHBondContact O-N 3.34Å; R195-K197 PolarHBondContact O-N 3.45Å
198S41.1Very low39.5Very low85 Ų85128.3 Ų128.359%0.59470%0.703SS**Hα-helixtrans-84.7-28.4176.638.30000114.3R195 A200R195-S198 PolarHBondContact O-N 2.92Å; R195-S198 PolarHBondContact O-OG 3.44Å; S198-A200 VanDerWaalsContact C-N 3.3Å; S198-A200 PolarHBondContact O-N 2.88Å
199E37.6Very low38.9Very low142 Ų142130 Ų13066%0.66472%0.717SS**THydrogen-bonded Turntrans-79.9-7.9-175.9-69.9173.4163.900113.9
200A37.7Very low38.1Very low91 Ų91134.3 Ų134.375%0.75274%0.737SS**THydrogen-bonded Turntrans-88.76.1-177.200000115S198S198-A200 VanDerWaalsContact C-N 3.3Å; S198-A200 PolarHBondContact O-N 2.88Å
201K43.2Very low37.5Very low188 Ų188142.1 Ų142.182%0.81775%0.753SS**SBendtrans-141.548.8-171.4-151.2-179.3-176-178.70115.7
202Q35.6Very low36.8Very low187 Ų187141.7 Ų141.787%0.87476%0.755SS**  trans-153.4109.4158-110.1164.137.400111.2
203M32.6Very low35.9Very low184 Ų184141.3 Ų141.391%0.90676%0.76SS**  trans-148.5103.2171.9-163.876.572.100108.5
204P37.6Very low35.2Very low125 Ų125148.8 Ų148.881%0.81277%0.774SS**PPolyproline II helixtrans-86.7136.1176.532.3-30.5000111.3
205R31.2Very low34.2Very low253 Ų253156.5 Ų156.596%0.95579%0.792SS**PPolyproline II helixtrans-89.9142.6176.1-170.5176.3-179.4173.30.2110.1
206A29.9Very low33.5Very low92 Ų92153 Ų15376%0.7679%0.793SS**PPolyproline II helixtrans-103.4145-166.500000116
207A25.7Very low32.8Very low97 Ų97148.4 Ų148.480%0.80279%0.788SS**  trans70.3166.414600000119.5
208P44.3Very low32.4Very low118 Ų118146.9 Ų146.977%0.76678%0.784SS**  cis-136.3158-0.939.3-21.5000118.9
209A29.3Very low31.7Very low90 Ų90150.4 Ų150.474%0.74479%0.791SS**  trans40.5133.9138.600000124.4
210T28.1Very low31.3Very low157 Ų157147.9 Ų147.996%0.96379%0.789SS**  -160.3169.7112.56.50000114.8
211R30.2Very low31.1Very low229 Ų229150.8 Ų150.886%0.86479%0.791SS**  trans-95.8151-157.9-97.3179.5169.1173.3-3.7115.8
212V27.4Very low30.4Very low114 Ų114148.4 Ų148.469%0.69179%0.792SS**  91.4133.7126.2163.70000123.8
213T27.6Very low30.1Very low121 Ų121144.4 Ų144.474%0.74279%0.792SS**  trans64122.5161.6400000121
214R29.4Very low29.8Very low222 Ų222139.5 Ų139.584%0.83879%0.788SS**  91.7137.459.1-164.5-170.7-168.8-175.96.1113
215R26.3Very low29.2Very low234 Ų234137 Ų13788%0.88379%0.785SS**  trans75.2152.3179.3-73.2-178.8169.6168.9-4.2114.3
216S29.1Very low29.2Very low90 Ų90131.7 Ų131.763%0.62978%0.781SS**  cis163.3158.9-13.5173.40000106.2
217T28.6Very low29.3Very low115 Ų115133.1 Ų133.171%0.70678%0.776SS**  trans79.3138.9152.512.90000120.8
218Q27.8Very low29.5Very low151 Ų151136.4 Ų136.471%0.70678%0.779SS**  trans76.5115.8153.6-76.9179.2-78.900117.5
219E27Very low28.8Very low159 Ų159137.1 Ų137.174%0.74377%0.77SS**  82.4142.281.5-82.3179.4170.200111.9
220S28.6Very low28.6Very low89 Ų89144.3 Ų144.362%0.62278%0.778SS**  cis-170.6165.9-5.944.50000112.5
221L33.1Very low28.5Very low152 Ų152142.8 Ų142.880%0.79676%0.76SS**  trans80.1158.6142.1-79.8164.3000124.7
222T29.3Very low28.3Very low137 Ų137139.4 Ų139.484%0.8476%0.758SS**  trans77.3135.8172.772.30000116.7
223A28.5Very low28.2Very low104 Ų104142.4 Ų142.486%0.8676%0.764SS**  cis-158.2162.9-20.800000106.4
224G26.6Very low29.4Very low81 Ų81142.1 Ų142.184%0.83576%0.764SS**  cis-167.5163.31.300000107.9
225G26.4Very low30.2Very low71 Ų71137.1 Ų137.173%0.73276%0.761SS**  trans-109.1175.1-175.600000114.1
226T30.1Very low30.2Very low143 Ų143129.7 Ų129.788%0.87775%0.749SS**  trans176.1156.1136.525.90000109.2
227D31.1Very low30.2Very low121 Ų121131.8 Ų131.865%0.64776%0.758SS**  -164.3-169-52.6-146.4-39.8000108.1
228L30.3Very low30.2Very low167 Ų167130.4 Ų130.487%0.87475%0.754SS**  trans84.494.8174.8-52.6167.8000114
229K30Very low30.2Very low132 Ų132130.8 Ų130.857%0.57476%0.755SS**  cis79.4108.611.6-149.2-168.2-167.1-136.80118.4E231K229-E231 WeakPolarHBondContact CE-OE1 3.49Å; K229-E231 HydrophobicContact CG-CG 4.42Å; K229-E231 IonicContact NZ-OE1 2.92Å; K229-E231 PolarHBondContact NZ-OE1 3.47Å; K229-E231 IonicContact NZ-OE2 2.92Å; K229-E231 PolarHBondContact NZ-OE2 2.72Å
230R25.5Very low30.3Very low241 Ų241131.5 Ų131.591%0.90976%0.758SS**  trans-167.3118.4140.7-116.5175.3178.5158.11.4106.8
231E25.8Very low30.3Very low126 Ų126131.6 Ų131.659%0.58976%0.764SS**  cis60.6135.949.5-66.7-163.2160.800113.6K229K229-E231 WeakPolarHBondContact CE-OE1 3.49Å; K229-E231 HydrophobicContact CG-CG 4.42Å; K229-E231 IonicContact NZ-OE1 2.92Å; K229-E231 PolarHBondContact NZ-OE1 3.47Å; K229-E231 IonicContact NZ-OE2 2.92Å; K229-E231 PolarHBondContact NZ-OE2 2.72Å
232L26Very low30.6Very low157 Ų157130.4 Ų130.482%0.82277%0.766SS**  cis-142.5173.522.1-95.1105.6000114.3
233H26Very low30.5Very low177 Ų177127.2 Ų127.282%0.81976%0.76SS**  trans-82.8-155.9166.8-69-84000112.9
234P51.7Low30.6Very low115 Ų115128.2 Ų128.275%0.74776%0.756SS**  -110.6-149.5-90.239.6-20.5000110.2
235P47.4Very low30.7Very low118 Ų118134.6 Ų134.677%0.76676%0.761SS**  cis-141.7-172.8-1.642.5-21.7000118.2
236A26.3Very low30.8Very low77 Ų77141.5 Ų141.564%0.63676%0.764SS**  trans102.2134.4146.200000121.2
237T27.4Very low31Very low134 Ų134139.6 Ų139.682%0.82276%0.757SS**  trans62.9144.9155.6480000119.7
238S28.5Very low31.6Very low87 Ų87139.5 Ų139.561%0.60876%0.763SS**  cis-175.3169-16.9430000109.9
239H29.2Very low31.6Very low159 Ų159137 Ų13774%0.73676%0.76SS**  trans69.2146170-61.8-85.7000117.7
240E28.6Very low31.5Very low173 Ų173135 Ų13581%0.80877%0.768SS**  cis-159.7163-13.8-132.2173.3121.300111.9
241A29.2Very low32.5Very low91 Ų91129.2 Ų129.275%0.75276%0.761SS**  trans127.1151.5154.100000114.9
242P37.9Very low32.6Very low128 Ų128127.8 Ų127.883%0.83177%0.771SS**  cis-117.3164.9-1232.1-14.7000114.1
243G27.2Very low32.7Very low70 Ų70124.8 Ų124.872%0.72277%0.769SS**  trans-79.1120.9-172.100000116.6
244T31.2Very low32.8Very low124 Ų124122.3 Ų122.376%0.76177%0.766SS**  23.5129.8126-22.10000120.1R246T244-R246 HydrophobicContact CG2-CB 4.42Å
245K29.6Very low31.6Very low216 Ų216121.4 Ų121.494%0.93976%0.763SS**  -149.1139.4115.6-107.6167.3-169.9179.30110.8
246R28Very low30.7Very low215 Ų215121.2 Ų121.281%0.81176%0.764SS**  trans-134120.8-160.4-177.8-177.9-172.3-1704.2110.3T244T244-R246 HydrophobicContact CG2-CB 4.42Å
247S34.1Very low30.8Very low104 Ų104121.4 Ų121.473%0.72777%0.766SS**  trans53.5-173.9134.2-38.60000118
248P44.4Very low30.8Very low118 Ų118120.8 Ų120.877%0.76677%0.767SS**  cis-109.8-165.5-640.7-24000112.7
249S29Very low30.8Very low116 Ų116121.5 Ų121.581%0.81177%0.772SS**  cis-152.8-177.88.1-15.60000112.2
250A28.8Very low30.7Very low90 Ų90118.8 Ų118.874%0.74477%0.771SS**  trans-117.4-162.8163.500000109.6
251P47.2Very low30.7Very low118 Ų118116.7 Ų116.777%0.76677%0.77SS**  cis-138.5-178.3-18.839.9-21.4000115.9
252A27.2Very low30.7Very low96 Ų96117.2 Ų117.279%0.79377%0.769SS**  trans76.5156.8142.600000124.3
253A27.3Very low30.2Very low94 Ų94115.9 Ų115.978%0.77776%0.762SS**  trans74.2145.916600000118.3
254T28.1Very low30.1Very low125 Ų125122.6 Ų122.677%0.76777%0.767SS**  cis-163.4167.7-13.617.50000110.3
255S27.6Very low30Very low96 Ų96125.9 Ų125.967%0.67177%0.771SS**  trans61.4108.6147.854.70000122.3
256S27.4Very low29.9Very low114 Ų114126.9 Ų126.980%0.79777%0.769SS**  28.8139.8120.263.30000120.1
257A28.1Very low30.1Very low82 Ų82120.8 Ų120.868%0.67877%0.765SS**  178.5158.55600000112.7
258S29.2Very low30.3Very low120 Ų120122 Ų12284%0.83977%0.77SS**  trans62.9153.5151.2-55.10000118.8
259S27.6Very low29.5Very low102 Ų102121 Ų12171%0.71377%0.772SS**  cis-159.8123.2-3.334.10000111.3
260S27.9Very low29.3Very low102 Ų102120.9 Ų120.971%0.71377%0.771SS**  15.5132.2129.659.10000121.9
261T28.9Very low29.2Very low129 Ų129122.4 Ų122.479%0.79178%0.776SS**  -175119.2118.719.90000109.1
262S28Very low28.5Very low103 Ų103121.2 Ų121.272%0.7278%0.776SS**  70.7142.996.691.80000113.8
263S28.2Very low28.7Very low100 Ų100122.3 Ų122.370%0.69978%0.775SS**  cis-164.1152.227.944.60000115.5
264Y25.1Very low28.9Very low210 Ų210126.6 Ų126.682%0.82478%0.779SS**  trans-5.2138.7159.6-50.4-86.5000123.7
265K28.5Very low29.1Very low194 Ų194126 Ų12684%0.84378%0.778SS**  166.5117.2109.6-88.3163-173174.90110.2
266R28.2Very low29Very low236 Ų236131.2 Ų131.289%0.89179%0.788SS**  78.6105.176.8-170.4-172.8-70.2-175.5-1113.6
267A31.9Very low29.4Very low88 Ų88131.1 Ų131.173%0.72779%0.785SS**  trans-76.4166.1162.600000111.2
268P38.8Very low29.4Very low129 Ų129134.6 Ų134.684%0.83879%0.791SS**  -152.2179.190.939.8-20.4000117.2
269A26.5Very low29.5Very low98 Ų98137.7 Ų137.781%0.8179%0.79SS**  trans-57.2161.5-174.600000119.4
270S25.5Very low29.5Very low112 Ų112144.4 Ų144.478%0.78380%0.799SS**  -156148.9123.477.70000112.6
271S26.3Very low29.7Very low122 Ų122149.3 Ų149.385%0.85381%0.808SS**  trans136.5126.1146.465.10000114.9
272A32.7Very low29.6Very low94 Ų94152.8 Ų152.878%0.77781%0.812SS**  trans-117.2146.1153.500000106
273P31.3Very low29.5Very low119 Ų119159.9 Ų159.977%0.77382%0.823SS**  -153157.190.838.2-20.2000117
274Q30.3Very low29.4Very low183 Ų183160.1 Ų160.186%0.85583%0.831SS**  trans39.8140.8144.2-70.9-78.9-39.800122.3
275P32.4Very low29.6Very low114 Ų114155 Ų15574%0.7483%0.833SS**  trans-83.7151.9-171.535.5-35.9000114.5
276K26.1Very low29.5Very low205 Ų205149.7 Ų149.789%0.89183%0.833SS**  trans-134.7147164.5-81.9-177.5177.9173.10111.6
277P35.3Very low29.6Very low111 Ų111148.6 Ų148.672%0.72183%0.834SS**  trans-100.3176.2-166.840.8-39000114.8
278L29.8Very low29.5Very low155 Ų155154.8 Ų154.881%0.81285%0.845SS**  trans75.6126.2161.4-62.3164.1000119.9
279K29.9Very low28.9Very low186 Ų186152.5 Ų152.581%0.80984%0.844SS**  trans172.6104.9133.8-89.1147-167.4175.80107.4
280R28.3Very low28.9Very low242 Ų242152.5 Ų152.591%0.91384%0.844SS**  43.982.971.6-158.3177.7-163.8174.29113.1
281F31.2Very low29.1Very low205 Ų205158.6 Ų158.690%0.89985%0.85SS**  trans-74.1148.1171.4-85.7-85.9000112.4
282K27.8Very low29.1Very low202 Ų202160.2 Ų160.288%0.87886%0.855SS**  trans-106.8157.4-176.7-81.8-178.5174179.20111.6
283R25.4Very low29Very low253 Ų253167.3 Ų167.396%0.95586%0.862SS**  trans-57.1149.3173.3-68.3175.3168.9174.6-5.6113.4
284A27Very low28.9Very low104 Ų104171.2 Ų171.286%0.8687%0.87SS**  trans-81.5149.116000000111.4
285A28.7Very low28.7Very low104 Ų104165.9 Ų165.986%0.8686%0.864SS**  trans-106.7144.9175.300000110.7
286G26.1Very low29Very low82 Ų82167 Ų16785%0.84587%0.872SS**  trans-82.4167.7-171.400000115.7
287K29.8Very low29Very low213 Ų213161 Ų16193%0.92687%0.868SS**  trans-114.2144.8165.6-82.3-177.4173.1179.30110.2
288K30.8Very low28.7Very low218 Ų218160.2 Ų160.295%0.94887%0.87SS**  trans-84.9145.9175.6-72.1176.1173.2176.20111.2
289G24.8Very low29.1Very low80 Ų80162.1 Ų162.183%0.82588%0.875SS**  trans-140.6155.1162.600000109
290A27.6Very low29.4Very low98 Ų98158.6 Ų158.681%0.8187%0.874SS**  trans-120.8136.4-159.900000116.1
291R29.5Very low29.9Very low241 Ų241155.5 Ų155.591%0.90987%0.87SS**  trans42.1123.8147.2-66-176.2174.8-178.1-0.7121.1
292T26.6Very low30.4Very low156 Ų156152.1 Ų152.196%0.95786%0.861SS**  -142.9160.9123.212.80000109.9
293R30.6Very low31Very low242 Ų242149.1 Ų149.191%0.91385%0.854SS**  trans-137.1118.2-165.6-177-170.2-169.9-165.74.2110.6
294Q28Very low31.7Very low201 Ų201145.1 Ų145.194%0.93984%0.84SS**  trans-138167.6160.5-80.2-165.4-11.200110.3
295G27.3Very low32.1Very low72 Ų72144.5 Ų144.574%0.74282%0.822SS**  trans-82.9-167.4-154.700000118.3
296P38Very low32.4Very low138 Ų138146.8 Ų146.890%0.89681%0.813SS**  trans-104.5156.5-143.738.7-35.6000114.9
297G27.6Very low33Very low78 Ų78148.6 Ų148.680%0.80481%0.808SS**  trans135.2101.2164.600000113.1
298A28.6Very low33.3Very low94 Ų94147 Ų14778%0.77780%0.801SS**  trans157.8103.815700000107.2S300A298-S300 PolarHBondContact O-N 2.84Å
299E38.3Very low33.8Very low195 Ų195142.1 Ų142.191%0.91178%0.784SS**  trans-70.9117.9160-64-177.6144.100106.9
300S35.5Very low34.2Very low112 Ų112144.4 Ų144.478%0.78378%0.782SS**  trans-115.981.8166.966.20000108.1A298 D302A298-S300 PolarHBondContact O-N 2.84Å; S300-D302 PolarHBondContact O-N 2.89Å
301E39.6Very low34.6Very low178 Ų178144 Ų14483%0.83278%0.779SS**  trans-61.8116.1158.2-60.6-174.611900107.9
302D41.7Very low34.7Very low133 Ų133136 Ų13671%0.71177%0.77SS**  trans-160.286.5154.9-100.9-32.7000109.8S300S300-D302 PolarHBondContact O-N 2.89Å
303L39.7Very low34.9Very low140 Ų140137.5 Ų137.573%0.73377%0.766SS**  trans-128.226.1174.3-151.382.7000112
304Y39.3Very low34.9Very low169 Ų169134.4 Ų134.466%0.66376%0.76SS**SBendtrans-108.8-9.1176.3-76.4-74.5000114.3T3T3-Y304 PolarHBondContact OG1-OH 2.85Å
305D35.9Very low35.2Very low91 Ų91134.2 Ų134.249%0.48776%0.759SS.*G310 helixtrans-77-25.8173-88.9-2.7000113.9V307 F308 I309D305-V307 PolarHBondContact O-N 3.16Å; D305-F308 PolarHBondContact O-N 3.17Å; D305-F308 VanDerWaalsContact O-N 3.11Å; D305-I309 HydrophobicContact CB-CD1 3.73Å; D305-I309 HydrophobicContact CB-CG1 4.22Å; D305-I309 WeakPolarHBondContact O-CG1 3.32Å; D305-I309 PolarHBondContact O-N 3.41Å
306F35.8Very low35.3Very low152 Ų152137.5 Ų137.567%0.66776%0.759SS**G310 helixtrans-71.1-4.1-175.4-81.3-80.4000115.8
307V38.3Very low35.2Very low120 Ų120134.6 Ų134.673%0.72775%0.754SS**G310 helixtrans-102.4-11.7174.1-177.40000112.1D305D305-V307 PolarHBondContact O-N 3.16Å
308F36.8Very low35.2Very low179 Ų179139.8 Ų139.879%0.78576%0.758SS**THydrogen-bonded Turntrans-119.3-12.4176.8-76.3-81.5000114.6D305D305-F308 PolarHBondContact O-N 3.17Å; D305-F308 VanDerWaalsContact O-N 3.11Å
309I39.6Very low35.2Very low115 Ų115145 Ų14559%0.5977%0.766SS**THydrogen-bonded Turntrans-10647.4176.8-44.8-176.7000112.1D305D305-I309 HydrophobicContact CB-CD1 3.73Å; D305-I309 HydrophobicContact CB-CG1 4.22Å; D305-I309 WeakPolarHBondContact O-CG1 3.32Å; D305-I309 PolarHBondContact O-N 3.41Å
310V33.8Very low34.8Very low129 Ų129144.3 Ų144.378%0.78277%0.765SS**THydrogen-bonded Turntrans-129.724.1160.7-159.70000110.6
311A35.3Very low34.3Very low90 Ų90148.1 Ų148.174%0.74477%0.77SS**  trans-129.842.2172.800000110.6
312G32Very low33.9Very low71 Ų71147.5 Ų147.573%0.73277%0.771SS**  trans-95.379.3161.700000108.7
313E31.1Very low33.1Very low188 Ų188143.8 Ų143.888%0.87976%0.764SS**  trans-65.1134.7164.8-72.3-178.7147.200107.9E315E313-E315 PolarHBondContact O-N 3.36Å
314K31.7Very low32.5Very low178 Ų178145.5 Ų145.577%0.77477%0.768SS**  trans-75.1122.5170.8-69-177.7176.5-174.60107.8D316K314-D316 PolarHBondContact O-N 3.2Å
315E33.4Very low31.9Very low197 Ų197143.5 Ų143.592%0.92177%0.774SS**  trans-70.585.6159.2-69.4179.7140.200108.2E313 G317E313-E315 PolarHBondContact O-N 3.36Å; E315-G317 PolarHBondContact O-N 3.37Å
316D29.3Very low31.4Very low140 Ų140143.9 Ų143.975%0.74979%0.789SS**  trans-77.4100.8157.4-72.2-35000106.3K314 E318K314-D316 PolarHBondContact O-N 3.2Å; D316-E318 PolarHBondContact O-N 3.19Å
317G35.4Very low31.1Very low77 Ų77142.5 Ų142.579%0.79480%0.797SS**  trans-76116-174.700000112.6E315E315-G317 PolarHBondContact O-N 3.37Å
318E28.3Very low30.5Very low187 Ų187140 Ų14087%0.87480%0.796SS**  trans-118.2106160.4-68.5-170.416200108.5D316 M320D316-E318 PolarHBondContact O-N 3.19Å; E318-M320 PolarHBondContact O-N 3.29Å; E318-M320 VanDerWaalsContact O-N 3.13Å
319E29Very low30.2Very low205 Ų205136.5 Ų136.596%0.95880%0.8SS**  trans-68.5105.1173.6-66.5-177.9152.900109.2
320M28.7Very low29.7Very low180 Ų180139.5 Ų139.589%0.88782%0.816SS**  trans-94102.1173-153.3175-162.700110.2E318 I322E318-M320 PolarHBondContact O-N 3.29Å; E318-M320 VanDerWaalsContact O-N 3.13Å; M320-I322 PolarHBondContact O-N 3.26Å
321E26.6Very low29.4Very low191 Ų191141.1 Ų141.189%0.89382%0.821SS**  trans-58.3112.4177.7-170.4176.6-158.900111G323E321-G323 PolarHBondContact O-N 2.98Å; E321-G323 VanDerWaalsContact O-N 3.14Å
322I31Very low29.5Very low165 Ų165139.9 Ų139.985%0.84682%0.817SS**  trans-80.795.6177.2-57.6178.5000108.5M320 E324M320-I322 PolarHBondContact O-N 3.26Å; I322-E324 PolarHBondContact O-N 2.96Å
323G24.7Very low29.2Very low55 Ų55142 Ų14257%0.56782%0.82SS**  trans-62.8129.9173.700000112.4E321 V325E321-G323 PolarHBondContact O-N 2.98Å; E321-G323 VanDerWaalsContact O-N 3.14Å; G323-V325 PolarHBondContact O-N 2.95Å; G323-V325 VanDerWaalsContact O-N 3.14Å
324E27.1Very low29Very low176 Ų176139.9 Ų139.982%0.82282%0.815SS**  trans-61.7111.5173.4-70-173.7137.700111I322 A326I322-E324 PolarHBondContact O-N 2.96Å; E324-A326 PolarHBondContact O-N 2.86Å
325V27Very low29.1Very low128 Ų128135.3 Ų135.378%0.77680%0.804SS**  trans-88.698.3168.3-179.90000108.6G323 C327G323-V325 PolarHBondContact O-N 2.95Å; G323-V325 VanDerWaalsContact O-N 3.14Å; V325-C327 PolarHBondContact O-N 2.98Å
326A25.6Very low29Very low98 Ų98131 Ų13181%0.8180%0.795SS**  trans-64.3105.5174.700000111E324 G328E324-A326 PolarHBondContact O-N 2.86Å; A326-G328 PolarHBondContact O-N 2.95Å
327C29.2Very low29.2Very low124 Ų124130 Ų13084%0.83880%0.798SS**  trans-74.6106.8172.1-680000110.5V325V325-C327 PolarHBondContact O-N 2.98Å
328G24.6Very low29.3Very low68 Ų68131.7 Ų131.770%0.70179%0.788SS**  trans-60.3146.1171.300000112.2A326 L330A326-G328 PolarHBondContact O-N 2.95Å; G328-L330 PolarHBondContact O-N 2.75Å
329A30.4Very low29.3Very low105 Ų105126.4 Ų126.487%0.86878%0.783SS**  trans-63131.4178.500000111.5
330L30.2Very low29.7Very low177 Ų177120.3 Ų120.393%0.92776%0.757SS**  trans-117.3139.5158.5-72.9178.6000109.3G328G328-L330 PolarHBondContact O-N 2.75Å
331D27.7Very low30Very low164 Ų164116.8 Ų116.888%0.87775%0.747SS**  trans-78.3169.1-159.8-154.8-5.3000113.2
332G35.8Very low30.7Very low64 Ų64110 Ų11066%0.6672%0.724SS**  trans-57.9137-169.400000115.2
333S26.9Very low31.6Very low116 Ų116103.7 Ų103.781%0.81169%0.692SS**  trans-150.4136.9162.3-74.40000109.4
334D26.6Very low32.4Very low143 Ų143110.7 Ų110.777%0.76571%0.71SS**  trans-60.1133-173.7-75-57.7000112.7S336D334-S336 PolarHBondContact O-N 3.09Å
335P34.4Very low33Very low82 Ų82106.4 Ų106.453%0.53271%0.705SS.*G310 helixtrans-80.822.6-176.535.1-37.3000113.8C337P335-C337 PolarHBondContact O-N 2.81Å
336S31.5Very low34.3Very low106 Ų106101 Ų10174%0.74167%0.672SS**G310 helixtrans-71.4-6.5179.5-54.50000113.9D334D334-S336 PolarHBondContact O-N 3.09Å
337C31.8Very low36Very low119 Ų119101.2 Ų101.280%0.80466%0.657SS**G310 helixtrans-127.630.7-172.3-72.70000114.1P335 G339P335-C337 PolarHBondContact O-N 2.81Å; C337-G339 PolarHBondContact O-N 3.11Å; C337-G339 VanDerWaalsContact O-N 3.1Å
338L37.3Very low37.9Very low113 Ų113104.8 Ų104.859%0.59265%0.652SS**  trans-68.6105.5157.1-71.4178.8000107.9L340 L368L338-L340 PolarHBondContact O-N 3.09Å; L338-L368 HydrophobicContact CD1-CD1 3.9Å
339G30.2Very low40.6Very low75 Ų75103.5 Ų103.577%0.77363%0.628SS**  trans-70.271-176.300000113.3C337 P341C337-G339 PolarHBondContact O-N 3.11Å; C337-G339 VanDerWaalsContact O-N 3.1Å; G339-P341 WeakPolarHBondContact O-CD 3.49Å
340L37.3Very low43.3Very low78 Ų78103.3 Ų103.341%0.40860%0.604SS.*  trans-77.4105.9162.8-68.4176.3000108.4L338 A342 L343L338-L340 PolarHBondContact O-N 3.09Å; L340-A342 PolarHBondContact O-N 3.15Å; L340-L343 HydrophobicContact CD1-CD1 4.13Å
341P34.8Very low46.2Very low105 Ų10596.1 Ų96.168%0.68257%0.569SS**  trans-74.7120.5-177.2-1230.3000110Q145 G339 L343Q145-P341 PolarHBondContact NE2-O 3.15Å; Q145-P341 VanDerWaalsContact NE2-O 3.08Å; G339-P341 WeakPolarHBondContact O-CD 3.49Å; P341-L343 PolarHBondContact O-N 3.32Å
342A40.4Very low49.4Very low50 Ų5088.4 Ų88.441%0.41353%0.528SS..  trans66.236.2157.400000118.1Q145 L340 E344 A345 S346Q145-A342 PolarHBondContact NE2-O 2.96Å; Q145-A342 VanDerWaalsContact NE2-O 3.1Å; L340-A342 PolarHBondContact O-N 3.15Å; A342-E344 PolarHBondContact O-N 3.42Å; A342-A345 HydrophobicContact CB-CB 4.13Å; A342-A345 PolarHBondContact O-N 2.85Å; A342-S346 PolarHBondContact O-N 3.35Å; A342-S346 PolarHBondContact O-OG 3.23Å
343L49.1Very low52.3Low31 Ų3186.3 Ų86.316%0.16250%0.503CS..SBendtrans-61.7-32.5161.5-79.4171.4000111.9T138 F143 L340 P341 A345 S346 H372T138-L343 HydrophobicContact CG2-CD2 4.27Å; F143-L343 HydrophobicContact CB-CD2 3.93Å; F143-L343 HydrophobicContact CD1-CD2 3.52Å; F143-L343 HydrophobicContact CD2-CD2 4.32Å; F143-L343 HydrophobicContact CE1-CD2 4.03Å; F143-L343 HydrophobicContact CG-CD2 3.67Å; L340-L343 HydrophobicContact CD1-CD1 4.13Å; P341-L343 PolarHBondContact O-N 3.32Å; L343-A345 VanDerWaalsContact C-N 3.33Å; L343-A345 PolarHBondContact O-N 2.83Å; L343-S346 PolarHBondContact O-N 3.48Å; L343-H372 VanDerWaalsContact CD1-CD2 3.42Å; L343-H372 WeakPolarHBondContact CD1-CD2 3.39Å; L343-H372 WeakPolarHBondContact CD1-NE2 3.38Å
344E42.7Very low55.7Low203 Ų20382.1 Ų82.195%0.94947%0.473SS*.THydrogen-bonded Turntrans-67.7-26.8175.2-62.7-167.7147.300114.2A342A342-E344 PolarHBondContact O-N 3.42Å
345A39.8Very low59.1Low86 Ų8675.3 Ų75.371%0.71144%0.436SS*.THydrogen-bonded Turntrans-95.3-0.2178.400000113.3A342 L343A342-A345 HydrophobicContact CB-CB 4.13Å; A342-A345 PolarHBondContact O-N 2.85Å; L343-A345 VanDerWaalsContact C-N 3.33Å; L343-A345 PolarHBondContact O-N 2.83Å
346S54.4Low62.1Low14 Ų1472.7 Ų72.710%0.09842%0.417CS..SBendtrans-82131.1-179.7-600000110.3Q145 A342 L343 R348Q145-S346 VanDerWaalsContact CG-OG 3.25Å; Q145-S346 WeakPolarHBondContact CG-OG 3.47Å; Q145-S346 PolarHBondContact NE2-OG 3.22Å; A342-S346 PolarHBondContact O-N 3.35Å; A342-S346 PolarHBondContact O-OG 3.23Å; L343-S346 PolarHBondContact O-N 3.48Å; S346-R348 PolarHBondContact O-N 2.82Å
347Q60.4Low65.2Low102 Ų10267.6 Ų67.648%0.47738%0.382SS..EExtended strand (participates in β ladder)trans-64.5128.9173.7-72.1175-2.300109F349Q347-F349 HydrophobicContact CB-CD2 4.13Å; Q347-F349 HydrophobicContact CB-CE2 3.49Å; Q347-F349 VanDerWaalsContact CB-CE2 3.49Å; Q347-F349 HydrophobicContact CB-CZ 4Å; Q347-F349 WeakPolarHBondContact O-CD2 3.33Å; Q347-F349 PolarHBondContact O-N 3.05Å; Q347-F349 VanDerWaalsContact OE1-CZ 3.28Å
348R69.6Low68.2Low199 Ų19964.9 Ų64.975%0.75136%0.356SS*.EExtended strand (participates in β ladder)trans-77.5109.7173.7-73.3-173.9178.5173.8-0.5109.5S346S346-R348 PolarHBondContact O-N 2.82Å
349F80.8Confident70.8Confident42 Ų4262.3 Ų62.318%0.18435%0.345CS..  trans-97.4177.5173.5-71.8-84000111.6H113 G142 W144 C156 Q347 S351H113-F349 HydrophobicContact CB-CB 3.8Å; H113-F349 HydrophobicContact CB-CD1 4.12Å; H113-F349 HydrophobicContact CB-CG 4.09Å; H113-F349 VanDerWaalsContact CG-CB 3.46Å; H113-F349 AromaticContact CG-CG 3.94Å; H113-F349 VanDerWaalsContact ND1-CB 3.34Å; H113-F349 WeakPolarHBondContact ND1-CB 3.43Å; G142-F349 PolarHBondContact O-N 3.05Å; W144-F349 HydrophobicContact CB-CD2 3.54Å; W144-F349 HydrophobicContact CB-CE2 3.62Å; W144-F349 AromaticContact CD1-CE2 3.62Å; W144-F349 HydrophobicContact CG-CD2 4.29Å; W144-F349 AromaticContact CG-CE2 3.97Å; W144-F349 HydrophobicContact CG-CE2 3.97Å; C156-F349 HydrophobicContact CB-CE1 4.32Å; C156-F349 HydrophobicContact CB-CZ 4.16Å; C156-F349 WeakPolarHBondContact SG-CE1 3.33Å; C156-F349 VanDerWaalsContact SG-CZ 3.58Å; Q347-F349 HydrophobicContact CB-CD2 4.13Å; Q347-F349 HydrophobicContact CB-CE2 3.49Å; Q347-F349 VanDerWaalsContact CB-CE2 3.49Å; Q347-F349 HydrophobicContact CB-CZ 4Å; Q347-F349 WeakPolarHBondContact O-CD2 3.33Å; Q347-F349 PolarHBondContact O-N 3.05Å; Q347-F349 VanDerWaalsContact OE1-CZ 3.28Å; F349-S351 PolarHBondContact O-N 3.29Å
350R87.1Confident73.7Confident100 Ų10058.8 Ų58.838%0.37731%0.309SS..PPolyproline II helixtrans-54.5124.1168.5178.5178.7177.1-79.7-1.3110I112 H113 G115 A116 V117I112-R350 PolarHBondContact O-NH1 3.09Å; H113-R350 PolarHBondContact ND1-O 2.89Å; G115-R350 PolarHBondContact O-NH1 2.7Å; G115-R350 VanDerWaalsContact O-NH1 3.14Å; A116-R350 PolarHBondContact O-NH2 3.26Å; V117-R350 PolarHBondContact O-NH1 2.71Å; V117-R350 PolarHBondContact O-NH2 2.96Å
351S91.2Very high76.3Confident27 Ų2757.9 Ų57.919%0.18931%0.308CS..PPolyproline II helixtrans-100.4162.4172.545.10000110.7S140 F349 S379S140-S351 WeakPolarHBondContact O-CA 3.18Å; S140-S351 WeakPolarHBondContact O-CB 3.4Å; F349-S351 PolarHBondContact O-N 3.29Å; S351-S379 WeakPolarHBondContact CB-OG 3.31Å; S351-S379 WeakPolarHBondContact OG-CB 3.37Å; S351-S379 PolarHBondContact OG-OG 3.47Å
352I95.7Very high78.9Confident1 Ų153.5 Ų53.51%0.00528%0.278CS..PPolyproline II helixtrans-77.6168.8177.161.4159000112.2I112 S118 V120 S140 T354 L355 W377 S379I112-I352 HydrophobicContact CD1-CG2 4.19Å; I112-I352 HydrophobicContact CG1-CG2 4.29Å; I112-I352 HydrophobicContact CG2-CG2 3.71Å; S118-I352 WeakPolarHBondContact O-CB 3.44Å; V120-I352 HydrophobicContact CB-CD1 3.73Å; V120-I352 HydrophobicContact CG2-CD1 3.9Å; V120-I352 HydrophobicContact CG2-CG2 4.1Å; S140-I352 WeakPolarHBondContact O-CG1 3.5Å; S140-I352 PolarHBondContact O-N 3.14Å; I352-T354 WeakPolarHBondContact CD1-O 3.48Å; I352-L355 HydrophobicContact CD1-CB 4.26Å; I352-L355 HydrophobicContact CD1-CD1 4.45Å; I352-W377 HydrophobicContact CD1-CH2 4.39Å; I352-W377 HydrophobicContact CD1-CZ2 3.92Å; I352-W377 HydrophobicContact CG1-CH2 4.38Å; I352-W377 HydrophobicContact CG1-CZ2 3.46Å; I352-W377 VanDerWaalsContact CG1-CZ2 3.46Å; I352-W377 PolarHBondContact O-NE1 2.8Å; I352-W377 VanDerWaalsContact O-NE1 3.15Å; I352-S379 PolarHBondContact O-OG 2.67Å
353S96.4Very high81.2Confident21 Ų2153.4 Ų53.415%0.14727%0.274CS..SBendtrans-109.4-19.7176.863.60000114.5S118 S379 E381 S382S118-S353 PolarHBondContact O-N 3.39Å; S118-S353 PolarHBondContact O-OG 3.22Å; S353-S379 WeakPolarHBondContact CA-O 3.41Å; S353-S379 WeakPolarHBondContact CB-O 3.39Å; S353-E381 PolarHBondContact O-N 3.02Å; S353-S382 PolarHBondContact O-N 2.73Å
354T98Very high83.1Confident27 Ų2756.2 Ų56.217%0.16629%0.293CS..EExtended strand (participates in β ladder)trans-129.7113.1178.9-59.40000111.8S118 Q119 V120 I352 E356 S382S118-T354 PolarHBondContact O-N 3.06Å; Q119-T354 VanDerWaalsContact CA-O 3.3Å; Q119-T354 WeakPolarHBondContact CA-O 3.05Å; Q119-T354 HydrophobicContact CG-CG2 3.86Å; V120-T354 PolarHBondContact N-O 2.97Å; I352-T354 WeakPolarHBondContact CD1-O 3.48Å; T354-E356 HydrophobicContact CG2-CG 4.22Å; T354-S382 WeakPolarHBondContact CA-O 3.48Å
355L98.1Very high85.4Confident0 Ų051.9 Ų51.90%027%0.273CS..EExtended strand (participates in β ladder)trans-106.4129.8172.4179.466.6000110.5L137 I352 L357 L370 W377 L380 S382 L383 T384L137-L355 HydrophobicContact CD2-CD1 4.23Å; L137-L355 HydrophobicContact CD2-CD2 3.95Å; I352-L355 HydrophobicContact CD1-CB 4.26Å; I352-L355 HydrophobicContact CD1-CD1 4.45Å; L355-L357 HydrophobicContact CD1-CD2 4.17Å; L355-L357 HydrophobicContact CG-CG 4.48Å; L355-L370 HydrophobicContact CD2-CD1 3.88Å; L355-W377 HydrophobicContact CB-CH2 4.3Å; L355-W377 HydrophobicContact CD2-CH2 3.84Å; L355-W377 HydrophobicContact CD2-CZ3 3.81Å; L355-W377 HydrophobicContact CG-CH2 4.47Å; L355-L380 HydrophobicContact CB-CD1 4.1Å; L355-S382 PolarHBondContact N-O 2.93Å; L355-S382 VanDerWaalsContact N-O 3.07Å; L355-L383 HydrophobicContact CB-CD1 4.08Å; L355-L383 HydrophobicContact CD2-CD1 3.93Å; L355-L383 HydrophobicContact CG-CD1 4.19Å; L355-L383 WeakPolarHBondContact O-CA 3.49Å; L355-T384 PolarHBondContact O-N 3.33Å
356E97.8Very high87.8Confident27 Ų2747.9 Ų47.913%0.12624%0.24CC..EExtended strand (participates in β ladder)trans-128.8122.6178.2-73.6167.4-160.200111.3Q119 V120 S121 L122 Y123 T354 F358 T384Q119-E356 PolarHBondContact NE2-OE1 2.93Å; V120-E356 PolarHBondContact O-N 3.44Å; S121-E356 CarbonylContact C-O 3.52Å; S121-E356 VanDerWaalsContact CA-O 3.25Å; S121-E356 WeakPolarHBondContact CA-O 3.43Å; S121-E356 WeakPolarHBondContact CB-OE2 3.21Å; S121-E356 PolarHBondContact OG-OE2 2.9Å; L122-E356 PolarHBondContact N-O 3.18Å; Y123-E356 PolarHBondContact OH-OE2 2.62Å; T354-E356 HydrophobicContact CG2-CG 4.22Å; E356-F358 HydrophobicContact CB-CD2 4.08Å; E356-F358 HydrophobicContact CB-CE2 3.65Å; E356-F358 HydrophobicContact CG-CE2 3.96Å; E356-T384 WeakPolarHBondContact CA-O 3.12Å
357L96.6Very high89.7Confident0 Ų047.3 Ų47.30%024%0.236CC..EExtended strand (participates in β ladder)trans-120117.6173.5-54.2-175.5000109.2L122 F133 L355 L362 L370 T384 L385 S386 N388L122-L357 HydrophobicContact CB-CD2 3.98Å; L122-L357 HydrophobicContact CD1-CD2 3.39Å; L122-L357 HydrophobicContact CG-CD2 4.25Å; F133-L357 HydrophobicContact CE2-CD1 4.47Å; F133-L357 HydrophobicContact CE2-CD2 4.04Å; F133-L357 HydrophobicContact CZ-CD1 3.84Å; F133-L357 HydrophobicContact CZ-CD2 4.17Å; L355-L357 HydrophobicContact CD1-CD2 4.17Å; L355-L357 HydrophobicContact CG-CG 4.48Å; L357-L362 HydrophobicContact CD1-CD2 4.22Å; L357-L370 HydrophobicContact CD1-CD2 4.23Å; L357-T384 PolarHBondContact N-O 2.69Å; L357-L385 HydrophobicContact CB-CD2 4.01Å; L357-L385 HydrophobicContact CD1-CD2 3.62Å; L357-L385 HydrophobicContact CG-CD2 3.93Å; L357-S386 PolarHBondContact O-N 3.3Å; L357-N388 WeakPolarHBondContact CB-ND2 3.49Å; L357-N388 PolarHBondContact O-OD1 3.39Å
358F94.5Very high91.1Very high61 Ų6144.8 Ų44.827%0.26823%0.226SC..EExtended strand (participates in β ladder)trans-127119.2-178.4-67.8-85.7000111L122 Y123 S124 E356 V360 T384 S386L122-F358 PolarHBondContact O-N 3.41Å; Y123-F358 CarbonylContact C-O 3.56Å; Y123-F358 WeakPolarHBondContact CA-O 3.38Å; Y123-F358 HydrophobicContact CD1-CB 3.66Å; Y123-F358 AromaticContact CD1-CD2 3.48Å; Y123-F358 HydrophobicContact CD1-CD2 3.48Å; Y123-F358 VanDerWaalsContact CD1-CD2 3.48Å; Y123-F358 HydrophobicContact CD1-CE2 4.29Å; Y123-F358 AromaticContact CD1-CG 3.81Å; Y123-F358 HydrophobicContact CD1-CG 3.81Å; Y123-F358 HydrophobicContact CE1-CB 4.2Å; Y123-F358 AromaticContact CE1-CD2 3.11Å; Y123-F358 HydrophobicContact CE1-CD2 3.11Å; Y123-F358 AromaticContact CE1-CE2 3.47Å; Y123-F358 HydrophobicContact CE1-CE2 3.47Å; Y123-F358 VanDerWaalsContact CE1-CE2 3.47Å; Y123-F358 AromaticContact CE1-CG 3.82Å; Y123-F358 HydrophobicContact CE1-CG 3.82Å; Y123-F358 HydrophobicContact CE1-CZ 4.45Å; Y123-F358 HydrophobicContact CG-CB 4.46Å; Y123-F358 HydrophobicContact CG-CD2 4.47Å; Y123-F358 AromaticContact CZ-CD2 3.9Å; S124-F358 PolarHBondContact N-O 3.02Å; E356-F358 HydrophobicContact CB-CD2 4.08Å; E356-F358 HydrophobicContact CB-CE2 3.65Å; E356-F358 HydrophobicContact CG-CE2 3.96Å; F358-V360 PolarHBondContact O-N 3.15Å; F358-T384 HydrophobicContact CE1-CG2 3.76Å; F358-T384 HydrophobicContact CE2-CG2 4.23Å; F358-T384 HydrophobicContact CZ-CG2 3.59Å; F358-S386 CarbonylContact C-O 3.56Å; F358-S386 WeakPolarHBondContact CA-O 3.33Å
359T92.1Very high92.3Very high60 Ų6035.8 Ų35.837%0.36819%0.192SC..SBendtrans53.350.8-179.2530000112.2S124 W125 S386 Y387S124-T359 WeakPolarHBondContact CA-O 3.32Å; S124-T359 VanDerWaalsContact CA-OG1 3.29Å; S124-T359 WeakPolarHBondContact CA-OG1 3.35Å; S124-T359 PolarHBondContact N-OG1 3.49Å; S124-T359 PolarHBondContact OG-OG1 3.27Å; W125-T359 PolarHBondContact N-O 2.78Å; T359-S386 PolarHBondContact N-O 3.5Å; T359-Y387 WeakPolarHBondContact CA-O 3.42Å; T359-Y387 HydrophobicContact CG2-CD2 4.35Å; T359-Y387 HydrophobicContact CG2-CG 4.44Å
360V91.6Very high93Very high0 Ų033.9 Ų33.90%018%0.184CC..  trans-128.9101.5175.3-1750000108.1L122 W125 P128 F133 F358 L362 N388L122-V360 HydrophobicContact CB-CG2 4.1Å; W125-V360 HydrophobicContact CB-CG1 4.24Å; W125-V360 HydrophobicContact CB-CG2 3.98Å; W125-V360 HydrophobicContact CE3-CG1 4.45Å; P128-V360 HydrophobicContact CB-CG1 4.19Å; P128-V360 HydrophobicContact CG-CG1 4.13Å; F133-V360 HydrophobicContact CD2-CG1 4.22Å; F133-V360 HydrophobicContact CE2-CG1 3.91Å; F358-V360 PolarHBondContact O-N 3.15Å; V360-L362 PolarHBondContact O-N 3.05Å; V360-N388 WeakPolarHBondContact O-CA 3.4Å; V360-N388 PolarHBondContact O-ND2 3.24Å
361P90.4Very high93.3Very high60 Ų6029.5 Ų29.539%0.3917%0.169SC..  trans-61.2127.2-179.3-27.238.2000112W125 P126 P128 N388W125-P361 VanDerWaalsContact O-CD 3.27Å; W125-P361 WeakPolarHBondContact O-CD 3.49Å; P126-P361 WeakPolarHBondContact O-CG 3.3Å; P128-P361 WeakPolarHBondContact CG-O 3.32Å; P361-N388 WeakPolarHBondContact CA-O 3.26Å
362L89.9Confident93.4Very high13 Ų1332.6 Ų32.67%0.06818%0.18CC..  trans-90.3112.1178.6-69173.3000110F133 L357 V360 A366 A367 L370 N388 L390F133-L362 HydrophobicContact CD1-CD2 4.47Å; F133-L362 HydrophobicContact CE1-CD2 3.38Å; F133-L362 HydrophobicContact CZ-CD2 3.46Å; F133-L362 VanDerWaalsContact CZ-CD2 3.46Å; L357-L362 HydrophobicContact CD1-CD2 4.22Å; V360-L362 PolarHBondContact O-N 3.05Å; L362-A366 HydrophobicContact CD2-CB 4.29Å; L362-A367 HydrophobicContact CB-CB 4.24Å; L362-L370 HydrophobicContact CD1-CD2 4.24Å; L362-N388 HydrophobicContact CD1-CB 3.85Å; L362-N388 HydrophobicContact CG-CB 4.03Å; L362-N388 PolarHBondContact N-O 3.36Å; L362-L390 HydrophobicContact CD1-CD2 3.67Å
363S88.9Confident93.3Very high47 Ų4732.6 Ų32.633%0.32918%0.18SC..  trans-60.7154.8164.870.10000110.3E365 A366 A367S363-E365 PolarHBondContact O-N 3.24Å; S363-A366 PolarHBondContact O-N 3.17Å; S363-A366 VanDerWaalsContact OG-CB 3.31Å; S363-A366 WeakPolarHBondContact OG-CB 3.41Å; S363-A366 PolarHBondContact OG-N 3.24Å; S363-A367 WeakPolarHBondContact O-CB 3.43Å; S363-A367 PolarHBondContact O-N 3.15Å
364T88.6Confident93.2Very high90 Ų9031.6 Ų31.655%0.55217%0.173SC*.Hα-helixtrans-54.6-39.6179.1-490000112.1L368T364-L368 HydrophobicContact CG2-CD1 4.03Å; T364-L368 HydrophobicContact CG2-CG 4.48Å; T364-L368 WeakPolarHBondContact O-CB 3.44Å; T364-L368 WeakPolarHBondContact O-CG 3.4Å; T364-L368 PolarHBondContact O-N 3.25Å
365E90.9Very high92.9Very high113 Ų11331.9 Ų31.953%0.52818%0.176SC..Hα-helixtrans-62.9-46.7175-173.6-170.6-169.500112.1I134 S363 L368 T369I134-E365 HydrophobicContact CD1-CG 3.89Å; S363-E365 PolarHBondContact O-N 3.24Å; E365-L368 PolarHBondContact O-N 3.24Å; E365-T369 WeakPolarHBondContact O-CB 3.49Å; E365-T369 PolarHBondContact O-N 2.78Å; E365-T369 PolarHBondContact O-OG1 2.91Å
366A91.5Very high92.5Very high2 Ų233.4 Ų33.42%0.01719%0.187CC..Hα-helixtrans-65.3-40.7178.300000112.1F133 L362 S363 T369 L370F133-A366 HydrophobicContact CD1-CB 3.7Å; F133-A366 HydrophobicContact CE1-CB 3.83Å; L362-A366 HydrophobicContact CD2-CB 4.29Å; S363-A366 PolarHBondContact O-N 3.17Å; S363-A366 VanDerWaalsContact OG-CB 3.31Å; S363-A366 WeakPolarHBondContact OG-CB 3.41Å; S363-A366 PolarHBondContact OG-N 3.24Å; A366-T369 PolarHBondContact O-N 2.84Å; A366-L370 WeakPolarHBondContact O-CB 3.34Å; A366-L370 PolarHBondContact O-N 2.86Å
367A92.6Very high92.3Very high2 Ų232.3 Ų32.32%0.01718%0.182CC..Hα-helixtrans-64.6-45.4176.100000111.8L362 S363 L370 C371 N393L362-A367 HydrophobicContact CB-CB 4.24Å; S363-A367 WeakPolarHBondContact O-CB 3.43Å; S363-A367 PolarHBondContact O-N 3.15Å; A367-L370 PolarHBondContact O-N 2.89Å; A367-C371 WeakPolarHBondContact O-CB 3.5Å; A367-C371 PolarHBondContact O-N 2.82Å; A367-C371 PolarHBondContact O-SG 3.03Å; A367-N393 HydrophobicContact CB-CB 3.89Å
368L91.8Very high92.1Very high49 Ų4935 Ų3526%0.25720%0.198SC..Hα-helixtrans-65.3-38.1176.1-71.5171.7000112.1L338 T364 E365 C371 H372 R396L338-L368 HydrophobicContact CD1-CD1 3.9Å; T364-L368 HydrophobicContact CG2-CD1 4.03Å; T364-L368 HydrophobicContact CG2-CG 4.48Å; T364-L368 WeakPolarHBondContact O-CB 3.44Å; T364-L368 WeakPolarHBondContact O-CG 3.4Å; T364-L368 PolarHBondContact O-N 3.25Å; E365-L368 PolarHBondContact O-N 3.24Å; L368-C371 WeakPolarHBondContact O-CB 3.47Å; L368-C371 PolarHBondContact O-N 2.87Å; L368-H372 WeakPolarHBondContact O-CB 3.35Å; L368-H372 PolarHBondContact O-N 3.49Å; L368-R396 HydrophobicContact CD2-CG 4.22Å
369T93.3Very high92Very high9 Ų933.3 Ų33.36%0.05519%0.194CC..Hα-helixtrans-63.4-47.5173.9-58.10000111.1I134 E365 A366 C371 H372 L373I134-T369 HydrophobicContact CG1-CG2 4.33Å; I134-T369 HydrophobicContact CG2-CG2 4.14Å; E365-T369 WeakPolarHBondContact O-CB 3.49Å; E365-T369 PolarHBondContact O-N 2.78Å; E365-T369 PolarHBondContact O-OG1 2.91Å; A366-T369 PolarHBondContact O-N 2.84Å; T369-C371 VanDerWaalsContact C-N 3.34Å; T369-C371 PolarHBondContact O-N 3.34Å; T369-H372 PolarHBondContact O-N 3.07Å; T369-L373 HydrophobicContact CG2-CD1 4.03Å; T369-L373 HydrophobicContact CG2-CG 4.39Å; T369-L373 VanDerWaalsContact O-CG 3.29Å; T369-L373 WeakPolarHBondContact O-CG 3.4Å; T369-L373 PolarHBondContact O-N 2.91Å
370L95.4Very high92.3Very high2 Ų230.5 Ų30.51%0.0118%0.176CC..Hα-helixtrans-57.3-46.4175177.861.3000111.4L137 L355 L357 L362 A366 A367 H372 L373 L374 W377 L385L137-L370 HydrophobicContact CD1-CB 3.94Å; L137-L370 HydrophobicContact CD1-CD1 4.14Å; L137-L370 HydrophobicContact CD2-CD1 4.25Å; L355-L370 HydrophobicContact CD2-CD1 3.88Å; L357-L370 HydrophobicContact CD1-CD2 4.23Å; L362-L370 HydrophobicContact CD1-CD2 4.24Å; A366-L370 WeakPolarHBondContact O-CB 3.34Å; A366-L370 PolarHBondContact O-N 2.86Å; A367-L370 PolarHBondContact O-N 2.89Å; L370-H372 PolarHBondContact O-N 2.82Å; L370-L373 PolarHBondContact O-N 3.12Å; L370-L374 HydrophobicContact CD1-CD1 4.03Å; L370-L374 HydrophobicContact CD1-CG 4.05Å; L370-L374 HydrophobicContact CG-CD1 3.85Å; L370-L374 HydrophobicContact CG-CG 4.32Å; L370-L374 WeakPolarHBondContact O-CB 3.48Å; L370-L374 WeakPolarHBondContact O-CG 3.4Å; L370-L374 PolarHBondContact O-N 3.44Å; L370-W377 HydrophobicContact CD1-CZ3 4.47Å; L370-L385 HydrophobicContact CD2-CD2 4.19Å
371C94.3Very high92.5Very high9 Ų934.2 Ų34.26%0.06119%0.194CC..Hα-helixtrans-56.2-50.1175.2-71.70000111.8A367 L368 T369 L373 L374 S375 L397 S400A367-C371 WeakPolarHBondContact O-CB 3.5Å; A367-C371 PolarHBondContact O-N 2.82Å; A367-C371 PolarHBondContact O-SG 3.03Å; L368-C371 WeakPolarHBondContact O-CB 3.47Å; L368-C371 PolarHBondContact O-N 2.87Å; T369-C371 VanDerWaalsContact C-N 3.34Å; T369-C371 PolarHBondContact O-N 3.34Å; C371-L373 PolarHBondContact O-N 2.86Å; C371-L374 PolarHBondContact O-N 2.85Å; C371-S375 PolarHBondContact O-N 3.08Å; C371-L397 PolarHBondContact SG-N 3.15Å; C371-S400 VanDerWaalsContact CB-OG 3.27Å; C371-S400 WeakPolarHBondContact CB-OG 3.26Å; C371-S400 VanDerWaalsContact O-CB 3.24Å; C371-S400 WeakPolarHBondContact O-CB 3.46Å; C371-S400 PolarHBondContact O-OG 3.35Å
372H92.9Very high92.9Very high92 Ų9232.4 Ų32.443%0.42618%0.183SC..Hα-helixtrans-60.6-46.1178.6-177.472.5000112.3L343 L368 T369 L370 S375L343-H372 VanDerWaalsContact CD1-CD2 3.42Å; L343-H372 WeakPolarHBondContact CD1-CD2 3.39Å; L343-H372 WeakPolarHBondContact CD1-NE2 3.38Å; L368-H372 WeakPolarHBondContact O-CB 3.35Å; L368-H372 PolarHBondContact O-N 3.49Å; T369-H372 PolarHBondContact O-N 3.07Å; L370-H372 PolarHBondContact O-N 2.82Å; H372-S375 PolarHBondContact O-N 3.45Å; H372-S375 PolarHBondContact O-OG 3.19Å
373L93.9Very high93.3Very high1 Ų131.8 Ų31.81%0.00518%0.18CC..Hα-helixtrans-61-48.4176.7-66.5172.6000111.6L137 A141 F143 T369 L370 C371 S375 S376 W377L137-L373 HydrophobicContact CB-CD1 3.86Å; A141-L373 HydrophobicContact CB-CB 4Å; A141-L373 HydrophobicContact CB-CD1 4.16Å; A141-L373 HydrophobicContact CB-CD2 3.92Å; A141-L373 HydrophobicContact CB-CG 4.25Å; F143-L373 HydrophobicContact CD2-CD2 3.57Å; F143-L373 HydrophobicContact CE2-CD2 3.62Å; F143-L373 HydrophobicContact CG-CD2 4.46Å; T369-L373 HydrophobicContact CG2-CD1 4.03Å; T369-L373 HydrophobicContact CG2-CG 4.39Å; T369-L373 VanDerWaalsContact O-CG 3.29Å; T369-L373 WeakPolarHBondContact O-CG 3.4Å; T369-L373 PolarHBondContact O-N 2.91Å; L370-L373 PolarHBondContact O-N 3.12Å; C371-L373 PolarHBondContact O-N 2.86Å; L373-S375 VanDerWaalsContact C-N 3.25Å; L373-S375 PolarHBondContact O-N 2.93Å; L373-S376 PolarHBondContact O-N 3.22Å; L373-S376 VanDerWaalsContact O-N 3.08Å; L373-S376 PolarHBondContact O-OG 3.41Å; L373-W377 PolarHBondContact O-N 3.35Å
374L94.3Very high93.7Very high0 Ų030.1 Ų30.10%017%0.167CC..Hα-helixtrans-53.9-40179.8-79170.7000112.5L370 C371 S376 W377 L380 L383 L397 L404L370-L374 HydrophobicContact CD1-CD1 4.03Å; L370-L374 HydrophobicContact CD1-CG 4.05Å; L370-L374 HydrophobicContact CG-CD1 3.85Å; L370-L374 HydrophobicContact CG-CG 4.32Å; L370-L374 WeakPolarHBondContact O-CB 3.48Å; L370-L374 WeakPolarHBondContact O-CG 3.4Å; L370-L374 PolarHBondContact O-N 3.44Å; C371-L374 PolarHBondContact O-N 2.85Å; L374-S376 PolarHBondContact O-N 3.18Å; L374-W377 HydrophobicContact CD2-CE3 3.94Å; L374-W377 HydrophobicContact CG-CE3 4.46Å; L374-W377 PolarHBondContact O-N 2.88Å; L374-W377 VanDerWaalsContact O-N 3.08Å; L374-L380 HydrophobicContact CD2-CD2 3.45Å; L374-L380 VanDerWaalsContact CD2-CD2 3.45Å; L374-L383 HydrophobicContact CD1-CD2 4.07Å; L374-L383 HydrophobicContact CD2-CD2 4.03Å; L374-L397 HydrophobicContact CD1-CD1 3.32Å; L374-L404 WeakPolarHBondContact O-CB 3.44Å; L374-L404 WeakPolarHBondContact O-CD1 3.36Å; L374-L404 WeakPolarHBondContact O-CD2 3.49Å
375S92Very high94.1Very high32 Ų3225.9 Ų25.922%0.22414%0.141CC..THydrogen-bonded Turntrans-55.5-19.1-18076.10000114.9C371 H372 L373C371-S375 PolarHBondContact O-N 3.08Å; H372-S375 PolarHBondContact O-N 3.45Å; H372-S375 PolarHBondContact O-OG 3.19Å; L373-S375 VanDerWaalsContact C-N 3.25Å; L373-S375 PolarHBondContact O-N 2.93Å
376S89.8Confident94.4Very high33 Ų3321 Ų2123%0.23112%0.12CC..THydrogen-bonded Turntrans-121.71.8-179.568.40000114.7L373 L374 V378L373-S376 PolarHBondContact O-N 3.22Å; L373-S376 VanDerWaalsContact O-N 3.08Å; L373-S376 PolarHBondContact O-OG 3.41Å; L374-S376 PolarHBondContact O-N 3.18Å; S376-V378 VanDerWaalsContact C-N 3.28Å; S376-V378 PolarHBondContact O-N 3.46Å
377W93.6Very high94.5Very high4 Ų424.6 Ų24.62%0.01513%0.133CC..  trans-83.959.6-169.3-159.4-18.6000113.3S140 A141 I352 L355 L370 L373 L374 S379 L380S140-W377 VanDerWaalsContact C-CZ2 3.44Å; S140-W377 WeakPolarHBondContact O-CZ2 3.43Å; A141-W377 HydrophobicContact CB-CD2 3.96Å; A141-W377 HydrophobicContact CB-CE3 3.96Å; A141-W377 HydrophobicContact CB-CH2 4.14Å; A141-W377 HydrophobicContact CB-CZ2 4.13Å; A141-W377 HydrophobicContact CB-CZ3 4.07Å; I352-W377 HydrophobicContact CD1-CH2 4.39Å; I352-W377 HydrophobicContact CD1-CZ2 3.92Å; I352-W377 HydrophobicContact CG1-CH2 4.38Å; I352-W377 HydrophobicContact CG1-CZ2 3.46Å; I352-W377 VanDerWaalsContact CG1-CZ2 3.46Å; I352-W377 PolarHBondContact O-NE1 2.8Å; I352-W377 VanDerWaalsContact O-NE1 3.15Å; L355-W377 HydrophobicContact CB-CH2 4.3Å; L355-W377 HydrophobicContact CD2-CH2 3.84Å; L355-W377 HydrophobicContact CD2-CZ3 3.81Å; L355-W377 HydrophobicContact CG-CH2 4.47Å; L370-W377 HydrophobicContact CD1-CZ3 4.47Å; L373-W377 PolarHBondContact O-N 3.35Å; L374-W377 HydrophobicContact CD2-CE3 3.94Å; L374-W377 HydrophobicContact CG-CE3 4.46Å; L374-W377 PolarHBondContact O-N 2.88Å; L374-W377 VanDerWaalsContact O-N 3.08Å; W377-S379 PolarHBondContact NE1-OG 2.68Å; W377-S379 PolarHBondContact O-N 3.17Å; W377-L380 HydrophobicContact CB-CB 4.41Å; W377-L380 HydrophobicContact CD2-CB 4.31Å; W377-L380 HydrophobicContact CD2-CD1 4.26Å; W377-L380 HydrophobicContact CD2-CD2 4.31Å; W377-L380 HydrophobicContact CE3-CD2 4.36Å; W377-L380 HydrophobicContact CG-CB 3.93Å; W377-L380 HydrophobicContact CZ2-CD1 4.25Å; W377-L380 VanDerWaalsContact O-CB 3.31Å; W377-L380 WeakPolarHBondContact O-CB 3.21Å; W377-L380 PolarHBondContact O-N 2.69Å
378V91.6Very high94.5Very high55 Ų5524.6 Ų24.633%0.33313%0.133SC..THydrogen-bonded Turntrans-58.6-23.5-172-63.40000115.3S376 L380 L404 Q407 R411S376-V378 VanDerWaalsContact C-N 3.28Å; S376-V378 PolarHBondContact O-N 3.46Å; V378-L380 VanDerWaalsContact C-N 3.32Å; V378-L404 HydrophobicContact CG1-CD1 4.43Å; V378-Q407 HydrophobicContact CG1-CB 3.63Å; V378-Q407 HydrophobicContact CG1-CG 4.2Å; V378-R411 WeakPolarHBondContact O-CG 3.46Å; V378-R411 PolarHBondContact O-N 3.21Å
379S93.6Very high94.3Very high27 Ų2724.5 Ų24.519%0.18914%0.144CC..THydrogen-bonded Turntrans-77.9-11.5177.369.70000114.7S351 I352 S353 W377 E381S351-S379 WeakPolarHBondContact CB-OG 3.31Å; S351-S379 WeakPolarHBondContact OG-CB 3.37Å; S351-S379 PolarHBondContact OG-OG 3.47Å; I352-S379 PolarHBondContact O-OG 2.67Å; S353-S379 WeakPolarHBondContact CA-O 3.41Å; S353-S379 WeakPolarHBondContact CB-O 3.39Å; W377-S379 PolarHBondContact NE1-OG 2.68Å; W377-S379 PolarHBondContact O-N 3.17Å; S379-E381 PolarHBondContact O-N 3.05Å
380L96.8Very high94Very high0 Ų024.8 Ų24.80%015%0.145CC..  trans-70.3123.2-176.2-165.370.3000109.6L355 L374 W377 V378 L383 R411 L412L355-L380 HydrophobicContact CB-CD1 4.1Å; L374-L380 HydrophobicContact CD2-CD2 3.45Å; L374-L380 VanDerWaalsContact CD2-CD2 3.45Å; W377-L380 HydrophobicContact CB-CB 4.41Å; W377-L380 HydrophobicContact CD2-CB 4.31Å; W377-L380 HydrophobicContact CD2-CD1 4.26Å; W377-L380 HydrophobicContact CD2-CD2 4.31Å; W377-L380 HydrophobicContact CE3-CD2 4.36Å; W377-L380 HydrophobicContact CG-CB 3.93Å; W377-L380 HydrophobicContact CZ2-CD1 4.25Å; W377-L380 VanDerWaalsContact O-CB 3.31Å; W377-L380 WeakPolarHBondContact O-CB 3.21Å; W377-L380 PolarHBondContact O-N 2.69Å; V378-L380 VanDerWaalsContact C-N 3.32Å; L380-L383 HydrophobicContact CD2-CB 4.18Å; L380-R411 CarbonylContact O-C 3.58Å; L380-L412 HydrophobicContact CD2-CD1 4.28Å; L380-L412 HydrophobicContact CG-CD1 4.22Å; L380-L412 WeakPolarHBondContact O-CA 3.32Å; L380-L412 PolarHBondContact O-N 2.82Å
381E97.4Very high93.6Very high79 Ų7926.3 Ų26.337%0.36916%0.162SC..  trans-106.6-31.8-179.6-74.1168.5-174.400111.2S353 S379 R411 R413 A414S353-E381 PolarHBondContact O-N 3.02Å; S379-E381 PolarHBondContact O-N 3.05Å; E381-R411 HydrophobicContact CG-CB 3.66Å; E381-R411 WeakPolarHBondContact OE1-CD 3.44Å; E381-R411 IonicContact OE1-NH1 3.96Å; E381-R411 PolarHBondContact OE1-NH1 3Å; E381-R413 PolarHBondContact O-N 2.92Å; E381-A414 PolarHBondContact O-N 2.86Å
382S98.1Very high93.3Very high22 Ų2230 Ų3015%0.15419%0.187CC..EExtended strand (participates in β ladder)trans-139.3134.2178.3-176.30000112.4S353 T354 L355 A414S353-S382 PolarHBondContact O-N 2.73Å; T354-S382 WeakPolarHBondContact CA-O 3.48Å; L355-S382 PolarHBondContact N-O 2.93Å; L355-S382 VanDerWaalsContact N-O 3.07Å; S382-A414 WeakPolarHBondContact CA-O 3.31Å
383L98.3Very high93.1Very high0 Ų026.5 Ų26.50%017%0.172CC..EExtended strand (participates in β ladder)trans-125.6128.4172.6179.761.1000110.1L355 L374 L380 L385 L401 L412 A414 L415 H416L355-L383 HydrophobicContact CB-CD1 4.08Å; L355-L383 HydrophobicContact CD2-CD1 3.93Å; L355-L383 HydrophobicContact CG-CD1 4.19Å; L355-L383 WeakPolarHBondContact O-CA 3.49Å; L374-L383 HydrophobicContact CD1-CD2 4.07Å; L374-L383 HydrophobicContact CD2-CD2 4.03Å; L380-L383 HydrophobicContact CD2-CB 4.18Å; L383-L385 HydrophobicContact CD1-CD2 4.08Å; L383-L385 HydrophobicContact CD1-CG 4.25Å; L383-L385 HydrophobicContact CD2-CD1 4.39Å; L383-L385 HydrophobicContact CG-CG 4.23Å; L383-L401 HydrophobicContact CD2-CD2 4.38Å; L383-L412 HydrophobicContact CB-CD1 4.23Å; L383-A414 PolarHBondContact N-O 2.9Å; L383-L415 HydrophobicContact CB-CD1 3.94Å; L383-L415 HydrophobicContact CD2-CD1 3.87Å; L383-L415 HydrophobicContact CG-CD1 3.99Å; L383-L415 WeakPolarHBondContact O-CA 3.39Å; L383-H416 PolarHBondContact O-N 2.96Å
384T97.9Very high93Very high12 Ų1226.8 Ų26.87%0.07417%0.173CC..EExtended strand (participates in β ladder)trans-125.3122.9173-61.40000110L355 E356 L357 F358 H416L355-T384 PolarHBondContact O-N 3.33Å; E356-T384 WeakPolarHBondContact CA-O 3.12Å; L357-T384 PolarHBondContact N-O 2.69Å; F358-T384 HydrophobicContact CE1-CG2 3.76Å; F358-T384 HydrophobicContact CE2-CG2 4.23Å; F358-T384 HydrophobicContact CZ-CG2 3.59Å; T384-H416 WeakPolarHBondContact CA-O 3.39Å; T384-H416 HydrophobicContact CG2-CB 3.98Å; T384-H416 PolarHBondContact OG1-ND1 3.28Å
385L97.1Very high92.9Very high1 Ų128.6 Ų28.61%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-124.4107.6174.3-57.6179.2000107.9L357 L370 L383 N388 L390 L397 H416 L417 S418L357-L385 HydrophobicContact CB-CD2 4.01Å; L357-L385 HydrophobicContact CD1-CD2 3.62Å; L357-L385 HydrophobicContact CG-CD2 3.93Å; L370-L385 HydrophobicContact CD2-CD2 4.19Å; L383-L385 HydrophobicContact CD1-CD2 4.08Å; L383-L385 HydrophobicContact CD1-CG 4.25Å; L383-L385 HydrophobicContact CD2-CD1 4.39Å; L383-L385 HydrophobicContact CG-CG 4.23Å; L385-N388 WeakPolarHBondContact CA-OD1 3.45Å; L385-N388 VanDerWaalsContact CB-OD1 3.31Å; L385-N388 WeakPolarHBondContact CB-OD1 3.01Å; L385-L390 HydrophobicContact CB-CD1 4.5Å; L385-L390 HydrophobicContact CD1-CD1 4.06Å; L385-L390 HydrophobicContact CD1-CD2 4.45Å; L385-L397 HydrophobicContact CD1-CD1 4.46Å; L385-L397 HydrophobicContact CD1-CD2 3.57Å; L385-H416 PolarHBondContact N-O 3.48Å; L385-L417 HydrophobicContact CB-CD2 3.84Å; L385-L417 HydrophobicContact CD1-CD2 3.85Å; L385-L417 HydrophobicContact CG-CD2 4.12Å; L385-L417 CarbonylContact O-C 3.52Å; L385-L417 WeakPolarHBondContact O-CA 3.29Å; L385-S418 PolarHBondContact O-N 2.92Å
386S95.6Very high92.9Very high10 Ų1033.2 Ų33.27%0.0719%0.194CC..EExtended strand (participates in β ladder)trans-127.2121.9-179-63.60000111.2L357 F358 T359 N388 S418L357-S386 PolarHBondContact O-N 3.3Å; F358-S386 CarbonylContact C-O 3.56Å; F358-S386 WeakPolarHBondContact CA-O 3.33Å; T359-S386 PolarHBondContact N-O 3.5Å; S386-N388 PolarHBondContact N-OD1 2.92Å; S386-S418 CarbonylContact C-O 3.49Å; S386-S418 VanDerWaalsContact CA-O 3.3Å; S386-S418 WeakPolarHBondContact CA-O 3.28Å; S386-S418 PolarHBondContact OG-OG 3.27Å
387Y93.6Very high93.1Very high77 Ų7731.8 Ų31.830%0.30218%0.183SC..SBendtrans55.755178.9-56.7-67.9000112T359 S418 L420 D448T359-Y387 WeakPolarHBondContact CA-O 3.42Å; T359-Y387 HydrophobicContact CG2-CD2 4.35Å; T359-Y387 HydrophobicContact CG2-CG 4.44Å; Y387-S418 PolarHBondContact N-O 3.05Å; Y387-L420 HydrophobicContact CD1-CD2 4.08Å; Y387-L420 HydrophobicContact CD1-CG 4.06Å; Y387-L420 HydrophobicContact CE1-CD2 3.92Å; Y387-L420 HydrophobicContact CE1-CG 4.35Å; Y387-D448 WeakPolarHBondContact CE1-OD2 3.43Å; Y387-D448 PolarHBondContact OH-OD2 3.21Å
388N92.4Very high93.1Very high2 Ų231.6 Ų31.61%0.01118%0.183CC..  trans-103.9-9.7-177.8-65118.4000113.7L357 V360 P361 L362 L385 S386 L390L357-N388 WeakPolarHBondContact CB-ND2 3.49Å; L357-N388 PolarHBondContact O-OD1 3.39Å; V360-N388 WeakPolarHBondContact O-CA 3.4Å; V360-N388 PolarHBondContact O-ND2 3.24Å; P361-N388 WeakPolarHBondContact CA-O 3.26Å; L362-N388 HydrophobicContact CD1-CB 3.85Å; L362-N388 HydrophobicContact CG-CB 4.03Å; L362-N388 PolarHBondContact N-O 3.36Å; L385-N388 WeakPolarHBondContact CA-OD1 3.45Å; L385-N388 VanDerWaalsContact CB-OD1 3.31Å; L385-N388 WeakPolarHBondContact CB-OD1 3.01Å; S386-N388 PolarHBondContact N-OD1 2.92Å; N388-L390 HydrophobicContact CB-CG 4.41Å
389G88.9Confident93.2Very high48 Ų4832.2 Ų32.250%0.49518%0.184SC..  trans65.243.4-177.200000112.6G391 D419G389-G391 VanDerWaalsContact C-N 3.27Å; G389-G391 PolarHBondContact O-N 3.45Å; G389-D419 WeakPolarHBondContact CA-OD2 3.31Å; G389-D419 PolarHBondContact N-OD1 2.9Å; G389-D419 VanDerWaalsContact N-OD1 3.16Å; G389-D419 PolarHBondContact N-OD2 2.98Å
390L86.3Confident93.2Very high15 Ų1531.8 Ų31.88%0.07918%0.181CC..  trans-58.7-38.8-175.6-76.8168000112.3L362 L385 N388 S392 N393 I394 L397 D419L362-L390 HydrophobicContact CD1-CD2 3.67Å; L385-L390 HydrophobicContact CB-CD1 4.5Å; L385-L390 HydrophobicContact CD1-CD1 4.06Å; L385-L390 HydrophobicContact CD1-CD2 4.45Å; N388-L390 HydrophobicContact CB-CG 4.41Å; L390-S392 PolarHBondContact O-N 3.46Å; L390-N393 WeakPolarHBondContact O-CB 3.22Å; L390-N393 PolarHBondContact O-N 3.24Å; L390-N393 PolarHBondContact O-ND2 3.36Å; L390-I394 HydrophobicContact CD1-CD1 4.31Å; L390-L397 HydrophobicContact CD1-CD2 4.22Å; L390-D419 PolarHBondContact N-OD2 2.98Å
391G86.8Confident93.2Very high34 Ų3431.8 Ų31.835%0.35118%0.181SC..THydrogen-bonded Turntrans52.4-131.4-179.300000112G389 N393 I394 P423G389-G391 VanDerWaalsContact C-N 3.27Å; G389-G391 PolarHBondContact O-N 3.45Å; G391-N393 PolarHBondContact O-N 3.5Å; G391-I394 VanDerWaalsContact O-CG2 3.31Å; G391-I394 WeakPolarHBondContact O-CG2 3.46Å; G391-I394 PolarHBondContact O-N 3.33Å; G391-P423 WeakPolarHBondContact O-CD 3.33Å; G391-P423 WeakPolarHBondContact O-CG 3.45Å
392S87.6Confident93Very high86 Ų8632.1 Ų32.160%0.60118%0.179SC*.THydrogen-bonded Turntrans-67.3-13.8177.356.90000114.5L390 I394 F395L390-S392 PolarHBondContact O-N 3.46Å; S392-I394 PolarHBondContact O-N 3.2Å; S392-F395 WeakPolarHBondContact O-CD2 3.24Å; S392-F395 PolarHBondContact O-N 3.42Å
393N89.8Confident92.8Very high19 Ų1933.1 Ų33.110%0.10219%0.189CC..Hα-helixtrans-67.4-14.5176.2-57.7-69.7000112.6A367 L390 G391 F395 R396 L397A367-N393 HydrophobicContact CB-CB 3.89Å; L390-N393 WeakPolarHBondContact O-CB 3.22Å; L390-N393 PolarHBondContact O-N 3.24Å; L390-N393 PolarHBondContact O-ND2 3.36Å; G391-N393 PolarHBondContact O-N 3.5Å; N393-F395 PolarHBondContact O-N 3.34Å; N393-R396 PolarHBondContact O-N 3Å; N393-L397 PolarHBondContact O-N 3.35Å
394I91.8Very high92.7Very high7 Ų733.2 Ų33.24%0.03619%0.189CC..Hα-helixtrans-54.4-36.1174-167.256.9000112.4L390 G391 S392 L397 L398 L417 P423 L429L390-I394 HydrophobicContact CD1-CD1 4.31Å; G391-I394 VanDerWaalsContact O-CG2 3.31Å; G391-I394 WeakPolarHBondContact O-CG2 3.46Å; G391-I394 PolarHBondContact O-N 3.33Å; S392-I394 PolarHBondContact O-N 3.2Å; I394-L397 HydrophobicContact CD1-CD2 4Å; I394-L397 WeakPolarHBondContact O-CB 3.31Å; I394-L397 PolarHBondContact O-N 3.11Å; I394-L398 HydrophobicContact CG1-CD1 4.48Å; I394-L398 VanDerWaalsContact O-CG 3.26Å; I394-L398 WeakPolarHBondContact O-CG 3.27Å; I394-L398 PolarHBondContact O-N 2.9Å; I394-L417 HydrophobicContact CD1-CD1 4.15Å; I394-P423 HydrophobicContact CG2-CG 3.42Å; I394-P423 VanDerWaalsContact CG2-CG 3.42Å; I394-L429 HydrophobicContact CD1-CD1 3.98Å; I394-L429 HydrophobicContact CG1-CD1 3.71Å
395F91.3Very high92.4Very high38 Ų3834 Ų3417%0.16720%0.195CC..Hα-helixtrans-65.8-41.9177.5-60-67.3000111.7S392 N393 L397 L398 D399 P423 L424 P464 I468S392-F395 WeakPolarHBondContact O-CD2 3.24Å; S392-F395 PolarHBondContact O-N 3.42Å; N393-F395 PolarHBondContact O-N 3.34Å; F395-L397 VanDerWaalsContact C-N 3.33Å; F395-L398 PolarHBondContact O-N 2.97Å; F395-D399 PolarHBondContact O-N 2.91Å; F395-P423 HydrophobicContact CE2-CB 4.15Å; F395-P423 HydrophobicContact CE2-CG 3.86Å; F395-P423 HydrophobicContact CZ-CB 4.32Å; F395-P423 HydrophobicContact CZ-CG 4.12Å; F395-L424 HydrophobicContact CD1-CD1 4.35Å; F395-L424 HydrophobicContact CE1-CD1 3.72Å; F395-L424 HydrophobicContact CE1-CD2 3.88Å; F395-L424 HydrophobicContact CE1-CG 3.71Å; F395-L424 HydrophobicContact CZ-CD1 4.42Å; F395-L424 HydrophobicContact CZ-CD2 4.14Å; F395-L424 HydrophobicContact CZ-CG 3.95Å; F395-P464 HydrophobicContact CE1-CB 4.26Å; F395-P464 HydrophobicContact CZ-CB 4.42Å; F395-I468 HydrophobicContact CB-CD1 4.24Å; F395-I468 HydrophobicContact CD1-CD1 3.7Å; F395-I468 HydrophobicContact CG-CD1 4.4Å
396R91.9Very high92.2Very high128 Ų12837.1 Ų37.148%0.48323%0.228SC..Hα-helixtrans-67.6-34.9175.5-61.8-61.1-171.8137.61111.9L368 N393 S400L368-R396 HydrophobicContact CD2-CG 4.22Å; N393-R396 PolarHBondContact O-N 3Å; R396-S400 WeakPolarHBondContact O-CB 3.34Å; R396-S400 PolarHBondContact O-N 2.75Å; R396-S400 PolarHBondContact O-OG 3.02Å
397L94.4Very high92Very high3 Ų341 Ų412%0.01625%0.245CC..Hα-helixtrans-63.3-47.5173.3-177.364.6000110.6C371 L374 L385 L390 N393 I394 F395 D399 S400 L401 L417C371-L397 PolarHBondContact SG-N 3.15Å; L374-L397 HydrophobicContact CD1-CD1 3.32Å; L385-L397 HydrophobicContact CD1-CD1 4.46Å; L385-L397 HydrophobicContact CD1-CD2 3.57Å; L390-L397 HydrophobicContact CD1-CD2 4.22Å; N393-L397 PolarHBondContact O-N 3.35Å; I394-L397 HydrophobicContact CD1-CD2 4Å; I394-L397 WeakPolarHBondContact O-CB 3.31Å; I394-L397 PolarHBondContact O-N 3.11Å; F395-L397 VanDerWaalsContact C-N 3.33Å; L397-D399 PolarHBondContact O-N 3.01Å; L397-S400 PolarHBondContact O-N 3.32Å; L397-S400 VanDerWaalsContact O-N 3.17Å; L397-L401 HydrophobicContact CD1-CD1 4.32Å; L397-L401 HydrophobicContact CD1-CG 4.31Å; L397-L401 HydrophobicContact CG-CD1 3.96Å; L397-L401 HydrophobicContact CG-CG 4.37Å; L397-L401 WeakPolarHBondContact O-CB 3.4Å; L397-L401 VanDerWaalsContact O-CG 3.28Å; L397-L401 WeakPolarHBondContact O-CG 3.39Å; L397-L401 PolarHBondContact O-N 2.88Å; L397-L417 HydrophobicContact CD2-CD2 4.28Å
398L94.6Very high91.5Very high1 Ų142.1 Ų42.11%0.00527%0.27CS..Hα-helixtrans-59-45.4177.1-70.5167.5000112.5I394 F395 S400 L401 R402 L424 L429 A432 I433 I468I394-L398 HydrophobicContact CG1-CD1 4.48Å; I394-L398 VanDerWaalsContact O-CG 3.26Å; I394-L398 WeakPolarHBondContact O-CG 3.27Å; I394-L398 PolarHBondContact O-N 2.9Å; F395-L398 PolarHBondContact O-N 2.97Å; L398-S400 VanDerWaalsContact C-N 3.3Å; L398-S400 PolarHBondContact O-N 3.49Å; L398-L401 PolarHBondContact O-N 3.19Å; L398-R402 WeakPolarHBondContact O-CB 3.2Å; L398-R402 PolarHBondContact O-N 3.1Å; L398-L424 HydrophobicContact CD1-CD1 4.23Å; L398-L429 HydrophobicContact CD1-CD1 4.16Å; L398-L429 HydrophobicContact CD2-CD1 4.28Å; L398-A432 HydrophobicContact CD1-CB 3.95Å; L398-A432 HydrophobicContact CD2-CB 4.18Å; L398-I433 HydrophobicContact CD2-CB 4.49Å; L398-I433 HydrophobicContact CD2-CG1 3.5Å; L398-I433 VanDerWaalsContact CD2-CG1 3.5Å; L398-I468 HydrophobicContact CD1-CG2 4.46Å
399D93.3Very high91.2Very high68 Ų6844.7 Ų44.736%0.36430%0.296SS..Hα-helixtrans-63.6-36.9176.2-69.7-31.2000112.1F395 L397 R402 A403F395-D399 PolarHBondContact O-N 2.91Å; L397-D399 PolarHBondContact O-N 3.01Å; D399-R402 PolarHBondContact O-N 3.06Å; D399-R402 IonicContact OD1-CZ 3.46Å; D399-R402 IonicContact OD1-NH1 2.67Å; D399-R402 PolarHBondContact OD1-NH1 2.91Å; D399-R402 IonicContact OD1-NH2 2.69Å; D399-A403 WeakPolarHBondContact O-CB 3.36Å; D399-A403 PolarHBondContact O-N 3.47Å
400S94Very high91.4Very high17 Ų1743.4 Ų43.412%0.11928%0.28CS..Hα-helixtrans-72.3-37.6178.3-56.20000112.7C371 R396 L397 L398 A403 L404C371-S400 VanDerWaalsContact CB-OG 3.27Å; C371-S400 WeakPolarHBondContact CB-OG 3.26Å; C371-S400 VanDerWaalsContact O-CB 3.24Å; C371-S400 WeakPolarHBondContact O-CB 3.46Å; C371-S400 PolarHBondContact O-OG 3.35Å; R396-S400 WeakPolarHBondContact O-CB 3.34Å; R396-S400 PolarHBondContact O-N 2.75Å; R396-S400 PolarHBondContact O-OG 3.02Å; L397-S400 PolarHBondContact O-N 3.32Å; L397-S400 VanDerWaalsContact O-N 3.17Å; L398-S400 VanDerWaalsContact C-N 3.3Å; L398-S400 PolarHBondContact O-N 3.49Å; S400-A403 PolarHBondContact O-N 3.5Å; S400-L404 WeakPolarHBondContact O-CB 3.32Å; S400-L404 PolarHBondContact O-N 3.24Å
401L95.4Very high91.8Very high1 Ų149.4 Ų49.41%0.00530%0.301CS..Hα-helixtrans-66.8-38.7172.6-70.5172.9000111.2L383 L397 L398 L404 S405 L412 L415 L437L383-L401 HydrophobicContact CD2-CD2 4.38Å; L397-L401 HydrophobicContact CD1-CD1 4.32Å; L397-L401 HydrophobicContact CD1-CG 4.31Å; L397-L401 HydrophobicContact CG-CD1 3.96Å; L397-L401 HydrophobicContact CG-CG 4.37Å; L397-L401 WeakPolarHBondContact O-CB 3.4Å; L397-L401 VanDerWaalsContact O-CG 3.28Å; L397-L401 WeakPolarHBondContact O-CG 3.39Å; L397-L401 PolarHBondContact O-N 2.88Å; L398-L401 PolarHBondContact O-N 3.19Å; L401-L404 PolarHBondContact O-N 3.43Å; L401-S405 WeakPolarHBondContact O-CB 3.34Å; L401-S405 PolarHBondContact O-N 3.39Å; L401-L412 HydrophobicContact CD2-CD2 3.73Å; L401-L415 HydrophobicContact CD1-CD2 4.02Å; L401-L437 HydrophobicContact CB-CD1 4.19Å; L401-L437 HydrophobicContact CB-CD2 4.3Å; L401-L437 HydrophobicContact CB-CG 4.29Å; L401-L437 HydrophobicContact CD1-CD1 4.2Å; L401-L437 HydrophobicContact CD2-CD1 4.33Å; L401-L437 HydrophobicContact CG-CD1 4.47Å
402R94.5Very high92.3Very high86 Ų8648 Ų4833%0.32529%0.286SS..Hα-helixtrans-62-43.5171.4-168.5-172.7-62.7122.53.4111.3L398 D399 S405 G406 A436L398-R402 WeakPolarHBondContact O-CB 3.2Å; L398-R402 PolarHBondContact O-N 3.1Å; D399-R402 PolarHBondContact O-N 3.06Å; D399-R402 IonicContact OD1-CZ 3.46Å; D399-R402 IonicContact OD1-NH1 2.67Å; D399-R402 PolarHBondContact OD1-NH1 2.91Å; D399-R402 IonicContact OD1-NH2 2.69Å; R402-S405 WeakPolarHBondContact O-CB 3.41Å; R402-S405 PolarHBondContact O-N 2.91Å; R402-G406 PolarHBondContact O-N 3.46Å; R402-G406 VanDerWaalsContact O-N 3.17Å; R402-A436 HydrophobicContact CB-CB 4.05Å
403A94.1Very high92.8Very high43 Ų4348 Ų4836%0.35527%0.272SS..Hα-helixtrans-63.2-39.9175.900000112.6D399 S400 G406 Q407D399-A403 WeakPolarHBondContact O-CB 3.36Å; D399-A403 PolarHBondContact O-N 3.47Å; S400-A403 PolarHBondContact O-N 3.5Å; A403-G406 PolarHBondContact O-N 3Å; A403-Q407 PolarHBondContact O-NE2 3.2Å
404L94.8Very high93.2Very high1 Ų147.9 Ų47.91%0.00527%0.274CS..Hα-helixtrans-63.7-43.2173177.257.5000111.7L374 V378 S400 L401 G406 Q407 C410 L412L374-L404 WeakPolarHBondContact O-CB 3.44Å; L374-L404 WeakPolarHBondContact O-CD1 3.36Å; L374-L404 WeakPolarHBondContact O-CD2 3.49Å; V378-L404 HydrophobicContact CG1-CD1 4.43Å; S400-L404 WeakPolarHBondContact O-CB 3.32Å; S400-L404 PolarHBondContact O-N 3.24Å; L401-L404 PolarHBondContact O-N 3.43Å; L404-G406 PolarHBondContact O-N 3.08Å; L404-Q407 WeakPolarHBondContact O-CB 3.49Å; L404-Q407 PolarHBondContact O-N 2.87Å; L404-C410 WeakPolarHBondContact O-CB 3.4Å; L404-L412 HydrophobicContact CD2-CD2 4.2Å
405S93.4Very high93.5Very high30 Ų3047.5 Ų47.521%0.2127%0.272CS..Hα-helixtrans-59.1-32.6176.8-160.90000113L401 R402 Q407 A436L401-S405 WeakPolarHBondContact O-CB 3.34Å; L401-S405 PolarHBondContact O-N 3.39Å; R402-S405 WeakPolarHBondContact O-CB 3.41Å; R402-S405 PolarHBondContact O-N 2.91Å; S405-Q407 VanDerWaalsContact C-N 3.3Å; S405-A436 WeakPolarHBondContact CB-O 3.38Å; S405-A436 PolarHBondContact OG-O 3.06Å
406G91.1Very high93.8Very high66 Ų6648.2 Ų48.268%0.6828%0.276SS*.THydrogen-bonded Turntrans-76.5-8.7175.300000114.8R402 A403 L404R402-G406 PolarHBondContact O-N 3.46Å; R402-G406 VanDerWaalsContact O-N 3.17Å; A403-G406 PolarHBondContact O-N 3Å; L404-G406 PolarHBondContact O-N 3.08Å
407Q91.4Very high94Very high92 Ų9242.6 Ų42.643%0.4326%0.255SS..SBendtrans-78.1134.1178.2-60.8-54.6-51.100111.7V378 A403 L404 S405 G409 C410V378-Q407 HydrophobicContact CG1-CB 3.63Å; V378-Q407 HydrophobicContact CG1-CG 4.2Å; A403-Q407 PolarHBondContact O-NE2 3.2Å; L404-Q407 WeakPolarHBondContact O-CB 3.49Å; L404-Q407 PolarHBondContact O-N 2.87Å; S405-Q407 VanDerWaalsContact C-N 3.3Å; Q407-G409 PolarHBondContact O-N 3.42Å; Q407-C410 PolarHBondContact O-N 2.93Å; Q407-C410 VanDerWaalsContact O-N 3.16Å
408A84.7Confident94Very high100 Ų10043.5 Ų43.583%0.82626%0.262SS*.THydrogen-bonded Turntrans-59.5120.7171.500000110.4
409G85.9Confident94Very high55 Ų5544.3 Ų44.357%0.56727%0.266SS*.THydrogen-bonded Turntrans87.114.3-179.800000115.6Q407 R411Q407-G409 PolarHBondContact O-N 3.42Å; G409-R411 WeakPolarHBondContact O-CG 3.34Å; G409-R411 PolarHBondContact O-N 3.09Å
410C92.4Very high93.7Very high22 Ų2244.8 Ų44.815%0.14927%0.268CS..  trans-51.1130.6167.8178.60000111.7L404 Q407L404-C410 WeakPolarHBondContact O-CB 3.4Å; Q407-C410 PolarHBondContact O-N 2.93Å; Q407-C410 VanDerWaalsContact O-N 3.16Å
411R95.1Very high93.4Very high141 Ų14149.5 Ų49.553%0.53229%0.287SS..  trans-1121.5-177.4-59.8-170.6178.9-161-1.4115.1V378 L380 E381 G409 R413V378-R411 WeakPolarHBondContact O-CG 3.46Å; V378-R411 PolarHBondContact O-N 3.21Å; L380-R411 CarbonylContact O-C 3.58Å; E381-R411 HydrophobicContact CG-CB 3.66Å; E381-R411 WeakPolarHBondContact OE1-CD 3.44Å; E381-R411 IonicContact OE1-NH1 3.96Å; E381-R411 PolarHBondContact OE1-NH1 3Å; G409-R411 WeakPolarHBondContact O-CG 3.34Å; G409-R411 PolarHBondContact O-N 3.09Å; R411-R413 WeakPolarHBondContact O-CG 3.44Å; R411-R413 PolarHBondContact O-N 2.81Å; R411-R413 VanDerWaalsContact O-N 3.09Å
412L96.9Very high93Very high4 Ų450 Ų502%0.02129%0.291CS..  trans-64.9113.5-172-173.763.9000110.7L380 L383 L401 L404 A414 L437 L440L380-L412 HydrophobicContact CD2-CD1 4.28Å; L380-L412 HydrophobicContact CG-CD1 4.22Å; L380-L412 WeakPolarHBondContact O-CA 3.32Å; L380-L412 PolarHBondContact O-N 2.82Å; L383-L412 HydrophobicContact CB-CD1 4.23Å; L401-L412 HydrophobicContact CD2-CD2 3.73Å; L404-L412 HydrophobicContact CD2-CD2 4.2Å; L412-A414 WeakPolarHBondContact CD1-O 3.01Å; L412-L437 HydrophobicContact CD2-CD1 3.84Å; L412-L437 HydrophobicContact CD2-CD2 4.04Å; L412-L440 HydrophobicContact CG-CD1 4.48Å
413R97.1Very high92.6Very high86 Ų8647.7 Ų47.733%0.32529%0.287SS..  trans-117.5-21-179.8-62.3-49.2175.5152.6-2.8113.8E381 R411 L439 L440 R441 V442E381-R413 PolarHBondContact O-N 2.92Å; R411-R413 WeakPolarHBondContact O-CG 3.44Å; R411-R413 PolarHBondContact O-N 2.81Å; R411-R413 VanDerWaalsContact O-N 3.09Å; R413-L439 VanDerWaalsContact CD-O 3.23Å; R413-L439 WeakPolarHBondContact CD-O 3.41Å; R413-L439 PolarHBondContact NH1-O 3.4Å; R413-L440 VanDerWaalsContact C-CD1 3.48Å; R413-L440 WeakPolarHBondContact O-CD1 3.35Å; R413-R441 HydrophobicContact CB-CB 4.39Å; R413-R441 HydrophobicContact CB-CG 4.44Å; R413-R441 PolarHBondContact O-N 2.88Å; R413-V442 PolarHBondContact O-N 3.28Å
414A98.1Very high92.3Very high16 Ų1645.9 Ų45.913%0.13227%0.271CS..EExtended strand (participates in β ladder)trans-125.7132.1178.400000111.9E381 S382 L383 L412 V442E381-A414 PolarHBondContact O-N 2.86Å; S382-A414 WeakPolarHBondContact CA-O 3.31Å; L383-A414 PolarHBondContact N-O 2.9Å; L412-A414 WeakPolarHBondContact CD1-O 3.01Å; A414-V442 WeakPolarHBondContact CA-O 3.38Å; A414-V442 HydrophobicContact CB-CB 4.05Å
415L98.4Very high92Very high0 Ų049 Ų490%029%0.292CS..EExtended strand (participates in β ladder)trans-134.3123.6174.2-179.562.9000109.6L383 L401 L417 I433 L437 L440 V442 L443 S444L383-L415 HydrophobicContact CB-CD1 3.94Å; L383-L415 HydrophobicContact CD2-CD1 3.87Å; L383-L415 HydrophobicContact CG-CD1 3.99Å; L383-L415 WeakPolarHBondContact O-CA 3.39Å; L401-L415 HydrophobicContact CD1-CD2 4.02Å; L415-L417 HydrophobicContact CD1-CD2 3.98Å; L415-L417 HydrophobicContact CD1-CG 4.24Å; L415-L417 HydrophobicContact CD2-CD1 4.37Å; L415-L417 HydrophobicContact CD2-CG 4.46Å; L415-L417 HydrophobicContact CG-CD2 4.45Å; L415-L417 HydrophobicContact CG-CG 4.15Å; L415-I433 HydrophobicContact CD2-CD1 4.21Å; L415-I433 HydrophobicContact CD2-CG1 4.39Å; L415-I433 HydrophobicContact CD2-CG2 3.75Å; L415-L437 HydrophobicContact CD2-CD1 4.05Å; L415-L440 HydrophobicContact CB-CD1 3.98Å; L415-L440 HydrophobicContact CB-CD2 4.11Å; L415-V442 PolarHBondContact N-O 3Å; L415-L443 HydrophobicContact CB-CD1 4.23Å; L415-L443 HydrophobicContact CD2-CD1 4.28Å; L415-L443 HydrophobicContact CG-CD1 4.34Å; L415-L443 WeakPolarHBondContact O-CA 3.44Å; L415-S444 PolarHBondContact O-N 3.42Å
416H97.8Very high92Very high53 Ų5347.9 Ų47.925%0.24528%0.283CS..EExtended strand (participates in β ladder)trans-120.9121.1175.2-50.582.3000108.5L383 T384 L385 S444L383-H416 PolarHBondContact O-N 2.96Å; T384-H416 WeakPolarHBondContact CA-O 3.39Å; T384-H416 HydrophobicContact CG2-CB 3.98Å; T384-H416 PolarHBondContact OG1-ND1 3.28Å; L385-H416 PolarHBondContact N-O 3.48Å; H416-S444 CarbonylContact C-O 3.53Å; H416-S444 WeakPolarHBondContact CA-O 3.36Å; H416-S444 VanDerWaalsContact CD2-CB 3.49Å; H416-S444 WeakPolarHBondContact CD2-CB 3.36Å
417L96.8Very high92Very high9 Ų944.9 Ų44.95%0.04725%0.251CS..EExtended strand (participates in β ladder)trans-121.4128.1176.1-61-178.6000109.1L385 I394 L397 L415 I433 S444 I445 R446L385-L417 HydrophobicContact CB-CD2 3.84Å; L385-L417 HydrophobicContact CD1-CD2 3.85Å; L385-L417 HydrophobicContact CG-CD2 4.12Å; L385-L417 CarbonylContact O-C 3.52Å; L385-L417 WeakPolarHBondContact O-CA 3.29Å; I394-L417 HydrophobicContact CD1-CD1 4.15Å; L397-L417 HydrophobicContact CD2-CD2 4.28Å; L415-L417 HydrophobicContact CD1-CD2 3.98Å; L415-L417 HydrophobicContact CD1-CG 4.24Å; L415-L417 HydrophobicContact CD2-CD1 4.37Å; L415-L417 HydrophobicContact CD2-CG 4.46Å; L415-L417 HydrophobicContact CG-CD2 4.45Å; L415-L417 HydrophobicContact CG-CG 4.15Å; L417-I433 HydrophobicContact CD1-CD1 3.53Å; L417-S444 PolarHBondContact N-O 2.76Å; L417-I445 CarbonylContact O-C 3.59Å; L417-I445 VanDerWaalsContact O-CA 3.28Å; L417-I445 WeakPolarHBondContact O-CA 3.36Å; L417-R446 PolarHBondContact O-N 3.02Å
418S95Very high92Very high23 Ų2341.9 Ų41.916%0.16124%0.237CC..EExtended strand (participates in β ladder)trans-138.7128.4174.4-24.70000107.8L385 S386 Y387 R446L385-S418 PolarHBondContact O-N 2.92Å; S386-S418 CarbonylContact C-O 3.49Å; S386-S418 VanDerWaalsContact CA-O 3.3Å; S386-S418 WeakPolarHBondContact CA-O 3.28Å; S386-S418 PolarHBondContact OG-OG 3.27Å; Y387-S418 PolarHBondContact N-O 3.05Å; S418-R446 WeakPolarHBondContact CA-O 3.5Å
419D92.9Very high92.4Very high18 Ų1837.3 Ų37.310%0.09620%0.199CC..EExtended strand (participates in β ladder)trans-151163.7172.8-138.8-24.8000111.3G389 L390 F421 R446 V447 D448G389-D419 WeakPolarHBondContact CA-OD2 3.31Å; G389-D419 PolarHBondContact N-OD1 2.9Å; G389-D419 VanDerWaalsContact N-OD1 3.16Å; G389-D419 PolarHBondContact N-OD2 2.98Å; L390-D419 PolarHBondContact N-OD2 2.98Å; D419-F421 VanDerWaalsContact C-N 3.34Å; D419-R446 PolarHBondContact N-O 2.85Å; D419-R446 VanDerWaalsContact N-O 3.12Å; D419-V447 WeakPolarHBondContact O-CA 3.42Å; D419-D448 PolarHBondContact O-N 3.44Å
420L88.4Confident92.8Very high77 Ų7734.7 Ų34.740%0.40317%0.172SC..SBendtrans-67.7-39.5176.9-66.7174000111.2Y387 H449Y387-L420 HydrophobicContact CD1-CD2 4.08Å; Y387-L420 HydrophobicContact CD1-CG 4.06Å; Y387-L420 HydrophobicContact CE1-CD2 3.92Å; Y387-L420 HydrophobicContact CE1-CG 4.35Å; L420-H449 WeakPolarHBondContact O-CB 3.33Å; L420-H449 PolarHBondContact O-N 3.37Å
421F86.3Confident92.8Very high116 Ų11634.9 Ų34.951%0.50917%0.17SC..  trans-138.3146.5-176.6-55.6-84.5000110.8D419 H449D419-F421 VanDerWaalsContact C-N 3.34Å; F421-H449 HydrophobicContact CD1-CB 3.68Å; F421-H449 HydrophobicContact CE1-CB 3.42Å; F421-H449 VanDerWaalsContact CE1-CB 3.42Å; F421-H449 AromaticContact CE1-CD2 3.81Å; F421-H449 AromaticContact CE1-CG 3.96Å; F421-H449 HydrophobicContact CZ-CB 4.15Å; F421-H449 AromaticContact CZ-CD2 3.6Å
422S87.9Confident92.7Very high13 Ų1328.4 Ų28.49%0.09115%0.146CC..  trans-129.3140.2171.2171.80000109.8L424 S451S422-L424 VanDerWaalsContact CB-O 3.31Å; S422-L424 WeakPolarHBondContact CB-O 3.27Å; S422-L424 PolarHBondContact O-N 2.63Å; S422-L424 PolarHBondContact OG-N 3.24Å; S422-L424 VanDerWaalsContact OG-N 3.13Å; S422-L424 PolarHBondContact OG-O 2.89Å; S422-S451 WeakPolarHBondContact O-CB 3.25Å
423P86.3Confident92.7Very high37 Ų3728.3 Ų28.324%0.2415%0.146CC..SBendtrans-75.4-6.4172.134.6-37.9000113.1G391 I394 F395G391-P423 WeakPolarHBondContact O-CD 3.33Å; G391-P423 WeakPolarHBondContact O-CG 3.45Å; I394-P423 HydrophobicContact CG2-CG 3.42Å; I394-P423 VanDerWaalsContact CG2-CG 3.42Å; F395-P423 HydrophobicContact CE2-CB 4.15Å; F395-P423 HydrophobicContact CE2-CG 3.86Å; F395-P423 HydrophobicContact CZ-CB 4.32Å; F395-P423 HydrophobicContact CZ-CG 4.12Å
424L87.1Confident92.5Very high4 Ų424.3 Ų24.32%0.02113%0.131CC..SBendtrans-116.8137.4171.8-72.5176.9000110.1F395 L398 S422 L429 P464 I469F395-L424 HydrophobicContact CD1-CD1 4.35Å; F395-L424 HydrophobicContact CE1-CD1 3.72Å; F395-L424 HydrophobicContact CE1-CD2 3.88Å; F395-L424 HydrophobicContact CE1-CG 3.71Å; F395-L424 HydrophobicContact CZ-CD1 4.42Å; F395-L424 HydrophobicContact CZ-CD2 4.14Å; F395-L424 HydrophobicContact CZ-CG 3.95Å; L398-L424 HydrophobicContact CD1-CD1 4.23Å; S422-L424 VanDerWaalsContact CB-O 3.31Å; S422-L424 WeakPolarHBondContact CB-O 3.27Å; S422-L424 PolarHBondContact O-N 2.63Å; S422-L424 PolarHBondContact OG-N 3.24Å; S422-L424 VanDerWaalsContact OG-N 3.13Å; S422-L424 PolarHBondContact OG-O 2.89Å; L424-L429 HydrophobicContact CB-CB 4.26Å; L424-L429 HydrophobicContact CD1-CD1 4.37Å; L424-P464 HydrophobicContact CD2-CB 4.31Å; L424-P464 HydrophobicContact CD2-CG 4.12Å; L424-I469 HydrophobicContact CD2-CD1 3.94Å
425P89.3Confident92.2Very high68 Ų6826.4 Ų26.444%0.44214%0.135SC..  trans-54.4148.1164.6-23.834.3000111.2L427 E428 L429P425-L427 VanDerWaalsContact C-N 3.33Å; P425-L427 PolarHBondContact O-N 3.4Å; P425-E428 PolarHBondContact O-N 3.2Å; P425-E428 VanDerWaalsContact O-N 3.09Å; P425-L429 PolarHBondContact O-N 3.34Å
426I92.3Very high92Very high5 Ų526.5 Ų26.53%0.02614%0.136CC..Hα-helixtrans-56.2-44.3-173.7-74.1171.2000112.5E428 L429 T430 I445 V447 M484 G485 F486I426-E428 VanDerWaalsContact C-N 3.31Å; I426-E428 PolarHBondContact O-N 3.05Å; I426-L429 CarbonylContact O-C 3.59Å; I426-L429 WeakPolarHBondContact O-CB 3.44Å; I426-L429 PolarHBondContact O-N 3.39Å; I426-L429 VanDerWaalsContact O-N 3.13Å; I426-T430 WeakPolarHBondContact O-CB 3.49Å; I426-T430 PolarHBondContact O-N 3.24Å; I426-T430 PolarHBondContact O-OG1 3.05Å; I426-I445 HydrophobicContact CG1-CG2 4.18Å; I426-I445 HydrophobicContact CG2-CG2 4Å; I426-V447 HydrophobicContact CD1-CB 3.9Å; I426-V447 HydrophobicContact CD1-CG2 3.95Å; I426-V447 HydrophobicContact CG1-CB 4.07Å; I426-V447 HydrophobicContact CG1-CG2 3.66Å; I426-M484 HydrophobicContact CG2-CB 4.32Å; I426-M484 HydrophobicContact CG2-CG 4.22Å; I426-M484 HydrophobicContact CG2-SD 4.34Å; I426-G485 WeakPolarHBondContact CD1-O 3.5Å; I426-F486 HydrophobicContact CB-CD1 4.1Å; I426-F486 HydrophobicContact CB-CE1 4.07Å; I426-F486 HydrophobicContact CD1-CD1 4.04Å; I426-F486 HydrophobicContact CD1-CG 4.44Å; I426-F486 HydrophobicContact CG2-CD1 4.13Å; I426-F486 HydrophobicContact CG2-CE1 3.75Å; I426-F486 HydrophobicContact CG2-CZ 4.37Å
427L92.2Very high91.8Very high3 Ų324.2 Ų24.22%0.01613%0.126CC..Hα-helixtrans-64.7-34.7-178.7-64.2178.5000112.7P425 R431 M484 F486 Q491 P492 L495 L496P425-L427 VanDerWaalsContact C-N 3.33Å; P425-L427 PolarHBondContact O-N 3.4Å; L427-R431 WeakPolarHBondContact O-CB 3.27Å; L427-R431 PolarHBondContact O-N 3.37Å; L427-M484 HydrophobicContact CD2-SD 3.98Å; L427-F486 HydrophobicContact CD2-CE1 3.9Å; L427-F486 HydrophobicContact CD2-CZ 4.01Å; L427-F486 HydrophobicContact CG-CE1 4.03Å; L427-Q491 HydrophobicContact CD1-CB 4.23Å; L427-P492 HydrophobicContact CD1-CG 3.97Å; L427-P492 WeakPolarHBondContact CD1-O 3.37Å; L427-L495 HydrophobicContact CB-CB 4.18Å; L427-L495 HydrophobicContact CD1-CB 4.2Å; L427-L496 HydrophobicContact CD1-CB 4.11Å; L427-L496 HydrophobicContact CD2-CB 4.04Å; L427-L496 HydrophobicContact CD2-CD1 4.07Å
428E91.4Very high91.6Very high29 Ų2925.6 Ų25.614%0.13614%0.135CC..Hα-helixtrans-70.6-37.7172.8-71.8-58.5149.700111.9P425 I426 R431 A432 L495P425-E428 PolarHBondContact O-N 3.2Å; P425-E428 VanDerWaalsContact O-N 3.09Å; I426-E428 VanDerWaalsContact C-N 3.31Å; I426-E428 PolarHBondContact O-N 3.05Å; E428-R431 PolarHBondContact O-N 2.66Å; E428-A432 WeakPolarHBondContact O-CB 3.48Å; E428-A432 PolarHBondContact O-N 2.97Å; E428-L495 WeakPolarHBondContact OE1-CD1 3.36Å; E428-L495 WeakPolarHBondContact OE1-CD2 3.35Å
429L92.8Very high91.6Very high5 Ų528.2 Ų28.23%0.02615%0.147CC..Hα-helixtrans-64.6-44.8173.2-178.757.2000111.4I394 L398 L424 P425 I426 A432 I433 I445I394-L429 HydrophobicContact CD1-CD1 3.98Å; I394-L429 HydrophobicContact CG1-CD1 3.71Å; L398-L429 HydrophobicContact CD1-CD1 4.16Å; L398-L429 HydrophobicContact CD2-CD1 4.28Å; L424-L429 HydrophobicContact CB-CB 4.26Å; L424-L429 HydrophobicContact CD1-CD1 4.37Å; P425-L429 PolarHBondContact O-N 3.34Å; I426-L429 CarbonylContact O-C 3.59Å; I426-L429 WeakPolarHBondContact O-CB 3.44Å; I426-L429 PolarHBondContact O-N 3.39Å; I426-L429 VanDerWaalsContact O-N 3.13Å; L429-A432 PolarHBondContact O-N 3.36Å; L429-I433 HydrophobicContact CD1-CD1 3.82Å; L429-I433 HydrophobicContact CD1-CG1 4.19Å; L429-I433 HydrophobicContact CG-CD1 3.81Å; L429-I433 WeakPolarHBondContact O-CB 3.49Å; L429-I433 VanDerWaalsContact O-CG1 3.24Å; L429-I433 WeakPolarHBondContact O-CG1 3.35Å; L429-I433 PolarHBondContact O-N 3.16Å; L429-I445 HydrophobicContact CD2-CG2 4.05Å
430T94.8Very high91.8Very high0 Ų027.5 Ų27.50%014%0.143CC..Hα-helixtrans-58-48.8173.2-54.90000110.8I426 A432 I433 V434 L443 I445 L482 M484 V499I426-T430 WeakPolarHBondContact O-CB 3.49Å; I426-T430 PolarHBondContact O-N 3.24Å; I426-T430 PolarHBondContact O-OG1 3.05Å; T430-A432 PolarHBondContact O-N 3.3Å; T430-I433 PolarHBondContact O-N 3.14Å; T430-V434 HydrophobicContact CG2-CG2 4.37Å; T430-V434 WeakPolarHBondContact O-CB 3.3Å; T430-V434 WeakPolarHBondContact O-CG2 3.29Å; T430-V434 PolarHBondContact O-N 2.93Å; T430-L443 HydrophobicContact CG2-CD2 3.98Å; T430-I445 HydrophobicContact CG2-CD1 4.35Å; T430-I445 WeakPolarHBondContact OG1-CD1 3.37Å; T430-L482 HydrophobicContact CG2-CD1 4.12Å; T430-M484 HydrophobicContact CG2-SD 4.1Å; T430-V499 HydrophobicContact CG2-CG1 3.84Å; T430-V499 HydrophobicContact CG2-CG2 4.24Å
431R92.8Very high92.3Very high26 Ų2629 Ų2910%0.09814%0.144CC..Hα-helixtrans-56.5-47.7175.8179.2174.3-172.3-176.42.9111.4L427 E428 R435 G470 E472 I474 V499L427-R431 WeakPolarHBondContact O-CB 3.27Å; L427-R431 PolarHBondContact O-N 3.37Å; E428-R431 PolarHBondContact O-N 2.66Å; R431-R435 WeakPolarHBondContact O-CB 3.36Å; R431-R435 VanDerWaalsContact O-CG 3.23Å; R431-R435 WeakPolarHBondContact O-CG 3.48Å; R431-R435 PolarHBondContact O-N 3.38Å; R431-G470 PolarHBondContact NH2-O 3.46Å; R431-E472 PolarHBondContact NH2-O 3.19Å; R431-I474 HydrophobicContact CB-CD1 4.33Å; R431-I474 HydrophobicContact CG-CD1 3.8Å; R431-I474 HydrophobicContact CG-CG1 3.98Å; R431-V499 HydrophobicContact CB-CG2 4.46Å
432A93.1Very high92.9Very high5 Ų525 Ų254%0.04113%0.129CC..Hα-helixtrans-65-39.4179.600000112.8L398 E428 L429 T430 A436 I468L398-A432 HydrophobicContact CD1-CB 3.95Å; L398-A432 HydrophobicContact CD2-CB 4.18Å; E428-A432 WeakPolarHBondContact O-CB 3.48Å; E428-A432 PolarHBondContact O-N 2.97Å; L429-A432 PolarHBondContact O-N 3.36Å; T430-A432 PolarHBondContact O-N 3.3Å; A432-A436 WeakPolarHBondContact O-CB 3.31Å; A432-A436 PolarHBondContact O-N 2.69Å; A432-I468 HydrophobicContact CB-CG2 4.02Å
433I95.1Very high93.4Very high1 Ų124.4 Ų24.41%0.00512%0.124CC..Hα-helixtrans-67.7-49.7178.1-72.4166.8000111.3L398 L415 L417 L429 T430 R435 A436 L437 L440 L443 I445L398-I433 HydrophobicContact CD2-CB 4.49Å; L398-I433 HydrophobicContact CD2-CG1 3.5Å; L398-I433 VanDerWaalsContact CD2-CG1 3.5Å; L415-I433 HydrophobicContact CD2-CD1 4.21Å; L415-I433 HydrophobicContact CD2-CG1 4.39Å; L415-I433 HydrophobicContact CD2-CG2 3.75Å; L417-I433 HydrophobicContact CD1-CD1 3.53Å; L429-I433 HydrophobicContact CD1-CD1 3.82Å; L429-I433 HydrophobicContact CD1-CG1 4.19Å; L429-I433 HydrophobicContact CG-CD1 3.81Å; L429-I433 WeakPolarHBondContact O-CB 3.49Å; L429-I433 VanDerWaalsContact O-CG1 3.24Å; L429-I433 WeakPolarHBondContact O-CG1 3.35Å; L429-I433 PolarHBondContact O-N 3.16Å; T430-I433 PolarHBondContact O-N 3.14Å; I433-R435 VanDerWaalsContact C-N 3.28Å; I433-R435 PolarHBondContact O-N 2.83Å; I433-A436 CarbonylContact O-C 3.53Å; I433-A436 WeakPolarHBondContact O-CA 3.12Å; I433-A436 PolarHBondContact O-N 2.85Å; I433-L437 HydrophobicContact CG2-CD1 4.45Å; I433-L437 PolarHBondContact O-N 3.4Å; I433-L440 HydrophobicContact CG2-CD2 4.14Å; I433-L443 HydrophobicContact CB-CD2 4.39Å; I433-L443 HydrophobicContact CD1-CD1 4.32Å; I433-L443 HydrophobicContact CG2-CD1 3.79Å; I433-L443 HydrophobicContact CG2-CD2 3.84Å; I433-L443 HydrophobicContact CG2-CG 4.49Å; I433-I445 HydrophobicContact CD1-CD1 3.8Å; I433-I445 HydrophobicContact CD1-CG1 4.28Å
434V94.5Very high93.9Very high2 Ų223.7 Ų23.71%0.01212%0.121CC..Hα-helixtrans-63.8-36.7-179.2173.90000110.9T430 L437 L443 I474 N477T430-V434 HydrophobicContact CG2-CG2 4.37Å; T430-V434 WeakPolarHBondContact O-CB 3.3Å; T430-V434 WeakPolarHBondContact O-CG2 3.29Å; T430-V434 PolarHBondContact O-N 2.93Å; V434-L437 CarbonylContact O-C 3.59Å; V434-L443 HydrophobicContact CG2-CD2 3.86Å; V434-I474 HydrophobicContact CG1-CG2 3.84Å; V434-N477 HydrophobicContact CG1-CB 3.83Å; V434-N477 WeakPolarHBondContact CG1-ND2 3.44Å
435R92.1Very high94.4Very high60 Ų6023.6 Ų23.623%0.22612%0.12CC..Hα-helixtrans-65.3-33.5170.4-73.8173.863.682.65.4113.4R431 I433 E472 E473 I474R431-R435 WeakPolarHBondContact O-CB 3.36Å; R431-R435 VanDerWaalsContact O-CG 3.23Å; R431-R435 WeakPolarHBondContact O-CG 3.48Å; R431-R435 PolarHBondContact O-N 3.38Å; I433-R435 VanDerWaalsContact C-N 3.28Å; I433-R435 PolarHBondContact O-N 2.83Å; R435-E472 IonicContact CZ-OE2 3.39Å; R435-E472 PolarHBondContact NH1-O 2.89Å; R435-E472 VanDerWaalsContact NH1-O 3.12Å; R435-E472 IonicContact NH1-OE2 3.73Å; R435-E472 IonicContact NH2-OE2 3.91Å; R435-E472 PolarHBondContact NH2-OE2 3.35Å; R435-E473 PolarHBondContact NH1-O 3.24Å; R435-I474 HydrophobicContact CG-CG1 4.44Å; R435-I474 HydrophobicContact CG-CG2 4.25Å
436A92.8Very high94.7Very high2 Ų225.4 Ų25.42%0.01712%0.118CC..Hα-helixtrans-80.6-29178.500000113.4R402 S405 A432 I433R402-A436 HydrophobicContact CB-CB 4.05Å; S405-A436 WeakPolarHBondContact CB-O 3.38Å; S405-A436 PolarHBondContact OG-O 3.06Å; A432-A436 WeakPolarHBondContact O-CB 3.31Å; A432-A436 PolarHBondContact O-N 2.69Å; I433-A436 CarbonylContact O-C 3.53Å; I433-A436 WeakPolarHBondContact O-CA 3.12Å; I433-A436 PolarHBondContact O-N 2.85Å
437L94.6Very high94.7Very high5 Ų525.5 Ų25.53%0.02612%0.119CC..  trans-133.267.3-172.6-63.9171.7000111.3L401 L412 L415 I433 V434 L439 L440L401-L437 HydrophobicContact CB-CD1 4.19Å; L401-L437 HydrophobicContact CB-CD2 4.3Å; L401-L437 HydrophobicContact CB-CG 4.29Å; L401-L437 HydrophobicContact CD1-CD1 4.2Å; L401-L437 HydrophobicContact CD2-CD1 4.33Å; L401-L437 HydrophobicContact CG-CD1 4.47Å; L412-L437 HydrophobicContact CD2-CD1 3.84Å; L412-L437 HydrophobicContact CD2-CD2 4.04Å; L415-L437 HydrophobicContact CD2-CD1 4.05Å; I433-L437 HydrophobicContact CG2-CD1 4.45Å; I433-L437 PolarHBondContact O-N 3.4Å; V434-L437 CarbonylContact O-C 3.59Å; L437-L439 PolarHBondContact O-N 2.93Å; L437-L439 VanDerWaalsContact O-N 3.11Å; L437-L440 HydrophobicContact CB-CB 4.06Å; L437-L440 HydrophobicContact CD1-CD1 4.36Å; L437-L440 WeakPolarHBondContact O-CB 3.25Å; L437-L440 PolarHBondContact O-N 3.05Å
438P93Very high94.5Very high39 Ų3928 Ų2825%0.25313%0.132SC..THydrogen-bonded Turntrans-63.5-20.1-17826.1-35.6000113.7N477 C478P438-N477 WeakPolarHBondContact O-CA 3.36Å; P438-C478 PolarHBondContact O-N 3.36Å
439L94.9Very high94.2Very high78 Ų7830.9 Ų30.941%0.40815%0.146SC..THydrogen-bonded Turntrans-86.8-0.3177.6-64.1-178.3000114.1R413 L437R413-L439 VanDerWaalsContact CD-O 3.23Å; R413-L439 WeakPolarHBondContact CD-O 3.41Å; R413-L439 PolarHBondContact NH1-O 3.4Å; L437-L439 PolarHBondContact O-N 2.93Å; L437-L439 VanDerWaalsContact O-N 3.11Å
440L97.1Very high93.4Very high3 Ų333.9 Ų33.92%0.01617%0.165CC..  trans-65.1141.4178.5-164.773.2000110.7L412 R413 L415 I433 L437 L443 C478 L479L412-L440 HydrophobicContact CG-CD1 4.48Å; R413-L440 VanDerWaalsContact C-CD1 3.48Å; R413-L440 WeakPolarHBondContact O-CD1 3.35Å; L415-L440 HydrophobicContact CB-CD1 3.98Å; L415-L440 HydrophobicContact CB-CD2 4.11Å; I433-L440 HydrophobicContact CG2-CD2 4.14Å; L437-L440 HydrophobicContact CB-CB 4.06Å; L437-L440 HydrophobicContact CD1-CD1 4.36Å; L437-L440 WeakPolarHBondContact O-CB 3.25Å; L437-L440 PolarHBondContact O-N 3.05Å; L440-L443 HydrophobicContact CD2-CB 3.83Å; L440-L443 HydrophobicContact CD2-CD1 4Å; L440-L443 HydrophobicContact CD2-CD2 4.34Å; L440-L443 HydrophobicContact CD2-CG 4.28Å; L440-C478 CarbonylContact O-C 3.28Å; L440-L479 HydrophobicContact CD2-CD1 4.39Å; L440-L479 HydrophobicContact CG-CD1 4.47Å; L440-L479 WeakPolarHBondContact O-CA 3.29Å; L440-L479 PolarHBondContact O-N 3.39Å
441R97.6Very high92.1Very high108 Ų10834.8 Ų34.841%0.40817%0.172SC..  trans-109.3-34.7178.2-69.4177.8176.1-123.8-5.3112.9R413 E480 Q481R413-R441 HydrophobicContact CB-CB 4.39Å; R413-R441 HydrophobicContact CB-CG 4.44Å; R413-R441 PolarHBondContact O-N 2.88Å; R441-E480 HydrophobicContact CB-CB 4.48Å; R441-E480 HydrophobicContact CB-CG 4.41Å; R441-E480 HydrophobicContact CG-CG 4.42Å; R441-E480 IonicContact CZ-OE1 3.48Å; R441-E480 IonicContact NE-OE1 3.15Å; R441-E480 IonicContact NH1-OE1 3.55Å; R441-E480 PolarHBondContact NH1-OE1 2.8Å; R441-E480 IonicContact NH1-OE2 2.64Å; R441-E480 PolarHBondContact NH1-OE2 3.12Å; R441-E480 IonicContact NH2-OE1 3.89Å; R441-E480 WeakPolarHBondContact O-CA 3.24Å; R441-E480 PolarHBondContact O-N 3.02Å; R441-Q481 PolarHBondContact O-N 3.22Å
442V98.4Very high90.3Very high32 Ų3241.2 Ų41.219%0.19420%0.203CC..EExtended strand (participates in β ladder)trans-124.5123.5-178.7-176.10000109R413 A414 L415 Q481R413-V442 PolarHBondContact O-N 3.28Å; A414-V442 WeakPolarHBondContact CA-O 3.38Å; A414-V442 HydrophobicContact CB-CB 4.05Å; L415-V442 PolarHBondContact N-O 3Å; V442-Q481 HydrophobicContact CG1-CB 4.33Å; V442-Q481 HydrophobicContact CG1-CG 4.31Å; V442-Q481 HydrophobicContact CG2-CB 4.3Å
443L98.6Very high88.2Confident0 Ų048.3 Ų48.30%023%0.228CC..EExtended strand (participates in β ladder)trans-128.7122.7174.4-177.152.8000110L415 T430 I433 V434 L440 I445 L479 Q481 L482 E483L415-L443 HydrophobicContact CB-CD1 4.23Å; L415-L443 HydrophobicContact CD2-CD1 4.28Å; L415-L443 HydrophobicContact CG-CD1 4.34Å; L415-L443 WeakPolarHBondContact O-CA 3.44Å; T430-L443 HydrophobicContact CG2-CD2 3.98Å; I433-L443 HydrophobicContact CB-CD2 4.39Å; I433-L443 HydrophobicContact CD1-CD1 4.32Å; I433-L443 HydrophobicContact CG2-CD1 3.79Å; I433-L443 HydrophobicContact CG2-CD2 3.84Å; I433-L443 HydrophobicContact CG2-CG 4.49Å; V434-L443 HydrophobicContact CG2-CD2 3.86Å; L440-L443 HydrophobicContact CD2-CB 3.83Å; L440-L443 HydrophobicContact CD2-CD1 4Å; L440-L443 HydrophobicContact CD2-CD2 4.34Å; L440-L443 HydrophobicContact CD2-CG 4.28Å; L443-I445 HydrophobicContact CD1-CD1 3.85Å; L443-I445 HydrophobicContact CD1-CG1 3.81Å; L443-I445 HydrophobicContact CD2-CD1 3.92Å; L443-I445 HydrophobicContact CG-CD1 3.88Å; L443-I445 HydrophobicContact CG-CG1 4.12Å; L443-L479 HydrophobicContact CB-CD1 3.68Å; L443-L479 HydrophobicContact CB-CD2 4.41Å; L443-Q481 PolarHBondContact N-O 3.3Å; L443-L482 HydrophobicContact CB-CD1 4.15Å; L443-L482 HydrophobicContact CD2-CD1 4.14Å; L443-L482 HydrophobicContact CG-CD1 4.15Å; L443-L482 CarbonylContact O-C 3.58Å; L443-L482 WeakPolarHBondContact O-CA 3.47Å; L443-E483 PolarHBondContact O-N 3.23Å
444S98.2Very high85.7Confident23 Ų2353.2 Ų53.216%0.16126%0.255CS..EExtended strand (participates in β ladder)trans-124.1124.6171.6-174.60000109.3L415 H416 L417 E483L415-S444 PolarHBondContact O-N 3.42Å; H416-S444 CarbonylContact C-O 3.53Å; H416-S444 WeakPolarHBondContact CA-O 3.36Å; H416-S444 VanDerWaalsContact CD2-CB 3.49Å; H416-S444 WeakPolarHBondContact CD2-CB 3.36Å; L417-S444 PolarHBondContact N-O 2.76Å; S444-E483 CarbonylContact C-O 3.49Å; S444-E483 WeakPolarHBondContact CA-O 3.42Å
445I96.9Very high82.8Confident1 Ų159.4 Ų59.41%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-131.6124.4179.1-61.2161.6000109L417 I426 L429 T430 I433 L443 E483 M484 G485L417-I445 CarbonylContact O-C 3.59Å; L417-I445 VanDerWaalsContact O-CA 3.28Å; L417-I445 WeakPolarHBondContact O-CA 3.36Å; I426-I445 HydrophobicContact CG1-CG2 4.18Å; I426-I445 HydrophobicContact CG2-CG2 4Å; L429-I445 HydrophobicContact CD2-CG2 4.05Å; T430-I445 HydrophobicContact CG2-CD1 4.35Å; T430-I445 WeakPolarHBondContact OG1-CD1 3.37Å; I433-I445 HydrophobicContact CD1-CD1 3.8Å; I433-I445 HydrophobicContact CD1-CG1 4.28Å; L443-I445 HydrophobicContact CD1-CD1 3.85Å; L443-I445 HydrophobicContact CD1-CG1 3.81Å; L443-I445 HydrophobicContact CD2-CD1 3.92Å; L443-I445 HydrophobicContact CG-CD1 3.88Å; L443-I445 HydrophobicContact CG-CG1 4.12Å; I445-E483 PolarHBondContact N-O 3.31Å; I445-M484 CarbonylContact O-C 3.26Å; I445-M484 VanDerWaalsContact O-CA 3.27Å; I445-M484 WeakPolarHBondContact O-CA 3.18Å; I445-G485 PolarHBondContact O-N 3.06Å
446R94.9Very high80Confident106 Ų10663.2 Ų63.240%0.432%0.32SS..EExtended strand (participates in β ladder)trans-130.3136.2171.3-179.6179-77.1170.4-6.6110.9L417 S418 D419 D448 G485 D512L417-R446 PolarHBondContact O-N 3.02Å; S418-R446 WeakPolarHBondContact CA-O 3.5Å; D419-R446 PolarHBondContact N-O 2.85Å; D419-R446 VanDerWaalsContact N-O 3.12Å; R446-D448 VanDerWaalsContact CD-OD1 3.29Å; R446-D448 WeakPolarHBondContact CD-OD1 3.32Å; R446-D448 WeakPolarHBondContact CG-OD1 3.46Å; R446-G485 WeakPolarHBondContact CA-O 3.47Å; R446-D512 IonicContact CZ-OD2 2.63Å; R446-D512 IonicContact NE-OD2 2.7Å; R446-D512 IonicContact NH2-OD2 3.97Å; R446-D512 PolarHBondContact NH2-OD2 3.35Å
447V92.6Very high77.1Confident7 Ų766.1 Ų66.14%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-133.1121.6169-172.10000108.7D419 I426 H449 G485 P487D419-V447 WeakPolarHBondContact O-CA 3.42Å; I426-V447 HydrophobicContact CD1-CB 3.9Å; I426-V447 HydrophobicContact CD1-CG2 3.95Å; I426-V447 HydrophobicContact CG1-CB 4.07Å; I426-V447 HydrophobicContact CG1-CG2 3.66Å; V447-H449 WeakPolarHBondContact CG1-O 3.48Å; V447-G485 PolarHBondContact N-O 3.35Å; V447-G485 VanDerWaalsContact N-O 3.12Å; V447-P487 VanDerWaalsContact O-CD 3.26Å; V447-P487 WeakPolarHBondContact O-CD 3.48Å
448D87.9Confident74.1Confident57 Ų5772 Ų7231%0.30539%0.386SS..SBendtrans-81.9-24-169.1-64.9-21.1000113Y387 D419 R446Y387-D448 WeakPolarHBondContact CE1-OD2 3.43Å; Y387-D448 PolarHBondContact OH-OD2 3.21Å; D419-D448 PolarHBondContact O-N 3.44Å; R446-D448 VanDerWaalsContact CD-OD1 3.29Å; R446-D448 WeakPolarHBondContact CD-OD1 3.32Å; R446-D448 WeakPolarHBondContact CG-OD1 3.46Å
449H85.1Confident71.7Confident89 Ų8976.8 Ų76.841%0.41242%0.417SS..SBendtrans-128.9145-179.7-59.7-36.4000113.2L420 F421 V447 P487L420-H449 WeakPolarHBondContact O-CB 3.33Å; L420-H449 PolarHBondContact O-N 3.37Å; F421-H449 HydrophobicContact CD1-CB 3.68Å; F421-H449 HydrophobicContact CE1-CB 3.42Å; F421-H449 VanDerWaalsContact CE1-CB 3.42Å; F421-H449 AromaticContact CE1-CD2 3.81Å; F421-H449 AromaticContact CE1-CG 3.96Å; F421-H449 HydrophobicContact CZ-CB 4.15Å; F421-H449 AromaticContact CZ-CD2 3.6Å; V447-H449 WeakPolarHBondContact CG1-O 3.48Å; H449-P487 VanDerWaalsContact C-CB 3.42Å
450P77.4Confident68.8Low67 Ų6775.7 Ų75.744%0.43543%0.425SS..  trans-66158.7176.130-35.1000110.8P487P450-P487 HydrophobicContact CB-CB 4.4Å
451S67.5Low65.8Low20 Ų2083 Ų8314%0.1446%0.464CS..  trans-76.2140.9-178.180.70000110.2S422 R453 D454S422-S451 WeakPolarHBondContact O-CB 3.25Å; S451-R453 PolarHBondContact O-N 3.43Å; S451-D454 PolarHBondContact N-OD2 2.93Å; S451-D454 WeakPolarHBondContact O-CB 3.31Å; S451-D454 PolarHBondContact O-N 3.41Å; S451-D454 PolarHBondContact OG-OD2 3.36Å
452Q53.5Low63.2Low160 Ų16081.6 Ų81.675%0.74848%0.476SS*.G310 helixtrans-59.8-14.7174.3-87.3-172.4-3.100113.4D454Q452-D454 PolarHBondContact O-N 2.89Å
453R49.8Very low60.5Low154 Ų15482.8 Ų82.858%0.58149%0.494SS*.G310 helixtrans-71.7-10.6175.3-74.6-168.2174-146-3.6113.9S451 N455 A462S451-R453 PolarHBondContact O-N 3.43Å; R453-N455 PolarHBondContact O-N 3.25Å; R453-A462 PolarHBondContact NH1-O 2.91Å; R453-A462 PolarHBondContact NH2-O 3.49Å
454D42.4Very low58Low105 Ų10584.9 Ų84.956%0.56151%0.507SS*.G310 helixtrans-76.22.4177.4-62.9-56.9000113.3S451 Q452S451-D454 PolarHBondContact N-OD2 2.93Å; S451-D454 WeakPolarHBondContact O-CB 3.31Å; S451-D454 PolarHBondContact O-N 3.41Å; S451-D454 PolarHBondContact OG-OD2 3.36Å; Q452-D454 PolarHBondContact O-N 2.89Å
455N32.8Very low55.3Low131 Ų13187 Ų8770%0.70152%0.521SS*.  trans-85.7120.9169.6-99-35.6000111.7R453 G457R453-N455 PolarHBondContact O-N 3.25Å; N455-G457 PolarHBondContact O-N 3.1Å
456P33.3Very low52.9Low141 Ų14192 Ų9292%0.91656%0.556SS**THydrogen-bonded Turntrans-7728.5-174.132.8-37.6000114.7
457G33.5Very low50.6Low62 Ų6294.9 Ų94.964%0.63957%0.573SS**THydrogen-bonded Turntrans-107.9-9.7-16100000118.1N455N455-G457 PolarHBondContact O-N 3.1Å
458V31.6Very low48.7Very low128 Ų12895.1 Ų95.178%0.77657%0.574SS**  trans-139.1112.7-172.8-171.60000112.9G460V458-G460 PolarHBondContact O-N 3.13Å
459P41.8Very low47Very low140 Ų14095.3 Ų95.391%0.90958%0.575SS**  trans-8093.516731.8-30.5000109.6
460G34.2Very low45.3Very low56 Ų5692 Ų9258%0.57757%0.565SS**  trans-150.894.1-173.100000115.2V458V458-G460 PolarHBondContact O-N 3.13Å
461N33.8Very low44.2Very low157 Ų15796.3 Ų96.384%0.8458%0.584SS**SBendtrans55.8128.9160.5-69.3-15.7000120.5
462A43Very low43.9Very low78 Ų78101.4 Ų101.465%0.64561%0.606SS**  trans52.392.617200000114.8R453R453-A462 PolarHBondContact NH1-O 2.91Å; R453-A462 PolarHBondContact NH2-O 3.49Å
463G41Very low45Very low56 Ų56102.3 Ų102.358%0.57761%0.61SS**PPolyproline II helixtrans-56.7162.1148.100000110.4
464P46.5Very low46.8Very low44 Ų4495.6 Ų95.629%0.28659%0.585SS.*SBendtrans-54.3149.5177.8-24.736.1000111F395 L424 S466 I469F395-P464 HydrophobicContact CE1-CB 4.26Å; F395-P464 HydrophobicContact CZ-CB 4.42Å; L424-P464 HydrophobicContact CD2-CB 4.31Å; L424-P464 HydrophobicContact CD2-CG 4.12Å; P464-S466 PolarHBondContact O-N 3.2Å; P464-S466 VanDerWaalsContact O-N 3.16Å; P464-I469 HydrophobicContact CB-CD1 3.52Å; P464-I469 HydrophobicContact CB-CG1 4.05Å; P464-I469 HydrophobicContact CG-CD1 3.59Å
465P42.8Very low49Very low68 Ų6893.3 Ų93.344%0.44258%0.576SS.*PPolyproline II helixtrans-53.5125.8-178.7-24.633000110.7H467 I468 I469P465-H467 PolarHBondContact O-N 3.39Å; P465-I468 HydrophobicContact CB-CD1 4.27Å; P465-I468 HydrophobicContact CB-CG1 4.34Å; P465-I468 HydrophobicContact CG-CD1 4.13Å; P465-I468 PolarHBondContact O-N 3.3Å; P465-I469 PolarHBondContact O-N 3.43Å
466S45Very low51.7Low106 Ų10695.2 Ų95.274%0.74158%0.581SS**THydrogen-bonded Turntrans-59.1-14.1-174.8-35.90000113.9P464 I469 G470P464-S466 PolarHBondContact O-N 3.2Å; P464-S466 VanDerWaalsContact O-N 3.16Å; S466-I469 CarbonylContact O-C 3.56Å; S466-G470 PolarHBondContact O-N 3.44Å
467H47.8Very low54.6Low166 Ų16688.8 Ų88.877%0.76954%0.539SS*.THydrogen-bonded Turntrans-83.5-9.6176.1-150.7-49.8000113.8P465P465-H467 PolarHBondContact O-N 3.39Å
468I51.2Low57.6Low12 Ų1288.1 Ų88.16%0.06252%0.524CS..THydrogen-bonded Turntrans-101.8-41.2175.7-58.7179.2000109.9F395 L398 A432 P465F395-I468 HydrophobicContact CB-CD1 4.24Å; F395-I468 HydrophobicContact CD1-CD1 3.7Å; F395-I468 HydrophobicContact CG-CD1 4.4Å; L398-I468 HydrophobicContact CD1-CG2 4.46Å; A432-I468 HydrophobicContact CB-CG2 4.02Å; P465-I468 HydrophobicContact CB-CD1 4.27Å; P465-I468 HydrophobicContact CB-CG1 4.34Å; P465-I468 HydrophobicContact CG-CD1 4.13Å; P465-I468 PolarHBondContact O-N 3.3Å
469I52.1Low60.8Low62 Ų6282 Ų8232%0.31849%0.487SS..SBendtrans-103.956.5173.9-45-173.4000109.3L424 P464 P465 S466L424-I469 HydrophobicContact CD2-CD1 3.94Å; P464-I469 HydrophobicContact CB-CD1 3.52Å; P464-I469 HydrophobicContact CB-CG1 4.05Å; P464-I469 HydrophobicContact CG-CD1 3.59Å; P465-I469 PolarHBondContact O-N 3.43Å; S466-I469 CarbonylContact O-C 3.56Å
470G50Low63.4Low19 Ų1978.1 Ų78.120%0.19646%0.457CS..  trans-77.6142.6166.800000109.5R431 S466 E472R431-G470 PolarHBondContact NH2-O 3.46Å; S466-G470 PolarHBondContact O-N 3.44Å; G470-E472 PolarHBondContact O-N 2.93Å
471D54.1Low66.5Low158 Ų15877.9 Ų77.985%0.84544%0.44SS*.  trans-714.8178-140.89.5000113.2
472E61.4Low69.5Low127 Ų12770.4 Ų70.459%0.59340%0.4SS*.PPolyproline II helixtrans-58.5143.6175.9-66.9-176.5167.700112.7R431 R435 G470R431-E472 PolarHBondContact NH2-O 3.19Å; R435-E472 IonicContact CZ-OE2 3.39Å; R435-E472 PolarHBondContact NH1-O 2.89Å; R435-E472 VanDerWaalsContact NH1-O 3.12Å; R435-E472 IonicContact NH1-OE2 3.73Å; R435-E472 IonicContact NH2-OE2 3.91Å; R435-E472 PolarHBondContact NH2-OE2 3.35Å; G470-E472 PolarHBondContact O-N 2.93Å
473E77.9Confident72.2Confident178 Ų17869.3 Ų69.383%0.83238%0.382SS*.PPolyproline II helixtrans-62.4144.5177.8-168.9164.5-152.200111.6R435R435-E473 PolarHBondContact NH1-O 3.24Å
474I86.1Confident74.8Confident13 Ų1366.8 Ų66.87%0.06736%0.355CS..PPolyproline II helixtrans-74.9125.4178.3-56.2174.7000107.5R431 V434 R435 V499 A502R431-I474 HydrophobicContact CB-CD1 4.33Å; R431-I474 HydrophobicContact CG-CD1 3.8Å; R431-I474 HydrophobicContact CG-CG1 3.98Å; V434-I474 HydrophobicContact CG1-CG2 3.84Å; R435-I474 HydrophobicContact CG-CG1 4.44Å; R435-I474 HydrophobicContact CG-CG2 4.25Å; I474-V499 HydrophobicContact CD1-CB 4.42Å; I474-V499 HydrophobicContact CD1-CG2 3.76Å; I474-A502 HydrophobicContact CB-CB 3.81Å; I474-A502 HydrophobicContact CG2-CB 3.6Å
475P88.6Confident77.2Confident58 Ų5864.9 Ų64.938%0.37734%0.344SS..PPolyproline II helixtrans-64.7150.4177.429.2-34.7000110.6N477P475-N477 PolarHBondContact O-N 2.78Å
476E91.1Very high79.5Confident170 Ų17062.1 Ų62.179%0.79433%0.325SS*.PPolyproline II helixtrans-54.8134.3172.9-170.9178.6-170.900110.4
477N94.2Very high81.7Confident7 Ų758 Ų584%0.03730%0.295CS..  trans-133.1162.7-170.172.172.8000112.9V434 P438 P475 L479 A502 S503V434-N477 HydrophobicContact CG1-CB 3.83Å; V434-N477 WeakPolarHBondContact CG1-ND2 3.44Å; P438-N477 WeakPolarHBondContact O-CA 3.36Å; P475-N477 PolarHBondContact O-N 2.78Å; N477-L479 PolarHBondContact O-N 2.98Å; N477-L479 WeakPolarHBondContact OD1-CB 3.48Å; N477-L479 PolarHBondContact OD1-N 2.86Å; N477-A502 PolarHBondContact N-O 3.35Å; N477-A502 VanDerWaalsContact N-O 3.07Å; N477-A502 PolarHBondContact ND2-O 2.83Å; N477-S503 PolarHBondContact ND2-OG 3.39Å; N477-S503 PolarHBondContact OD1-OG 3.05Å
478C95.6Very high83.3Confident47 Ų4761.1 Ų61.132%0.31830%0.301SS..  trans-93.122.3-175.9-56.20000114.3P438 L440 E480P438-C478 PolarHBondContact O-N 3.36Å; L440-C478 CarbonylContact O-C 3.28Å; C478-E480 PolarHBondContact O-N 3.21Å
479L97.8Very high84.8Confident1 Ų162.2 Ų62.21%0.00532%0.315CS..  trans-69.9122-172.6-164.671.5000111.3L440 L443 N477 L482 S505 L506L440-L479 HydrophobicContact CD2-CD1 4.39Å; L440-L479 HydrophobicContact CG-CD1 4.47Å; L440-L479 WeakPolarHBondContact O-CA 3.29Å; L440-L479 PolarHBondContact O-N 3.39Å; L443-L479 HydrophobicContact CB-CD1 3.68Å; L443-L479 HydrophobicContact CB-CD2 4.41Å; N477-L479 PolarHBondContact O-N 2.98Å; N477-L479 WeakPolarHBondContact OD1-CB 3.48Å; N477-L479 PolarHBondContact OD1-N 2.86Å; L479-L482 HydrophobicContact CD2-CB 3.82Å; L479-L482 HydrophobicContact CD2-CD1 4.09Å; L479-L482 HydrophobicContact CD2-CD2 4.28Å; L479-L482 HydrophobicContact CD2-CG 4.27Å; L479-S505 CarbonylContact O-C 3.55Å; L479-L506 HydrophobicContact CD2-CD1 4.38Å; L479-L506 HydrophobicContact CG-CD1 4.34Å; L479-L506 VanDerWaalsContact O-CA 3.26Å; L479-L506 WeakPolarHBondContact O-CA 3.4Å; L479-L506 PolarHBondContact O-N 2.85Å; L479-L506 VanDerWaalsContact O-N 3.13Å
480E97.8Very high86.3Confident58 Ų5862.5 Ų62.527%0.27133%0.326SS..  trans-101.3-29.8-179.5-67.3173-168.900111.5R441 C478 Q507 Q508R441-E480 HydrophobicContact CB-CB 4.48Å; R441-E480 HydrophobicContact CB-CG 4.41Å; R441-E480 HydrophobicContact CG-CG 4.42Å; R441-E480 IonicContact CZ-OE1 3.48Å; R441-E480 IonicContact NE-OE1 3.15Å; R441-E480 IonicContact NH1-OE1 3.55Å; R441-E480 PolarHBondContact NH1-OE1 2.8Å; R441-E480 IonicContact NH1-OE2 2.64Å; R441-E480 PolarHBondContact NH1-OE2 3.12Å; R441-E480 IonicContact NH2-OE1 3.89Å; R441-E480 WeakPolarHBondContact O-CA 3.24Å; R441-E480 PolarHBondContact O-N 3.02Å; C478-E480 PolarHBondContact O-N 3.21Å; E480-Q507 WeakPolarHBondContact O-CA 3.5Å; E480-Q507 PolarHBondContact O-N 2.9Å; E480-Q508 PolarHBondContact O-N 2.86Å
481Q98.2Very high88Confident50 Ų5062.7 Ų62.723%0.23432%0.322CS..EExtended strand (participates in β ladder)trans-138.6125.7-179.6178.6175.4-8.900111R441 V442 L443 E483 Q508R441-Q481 PolarHBondContact O-N 3.22Å; V442-Q481 HydrophobicContact CG1-CB 4.33Å; V442-Q481 HydrophobicContact CG1-CG 4.31Å; V442-Q481 HydrophobicContact CG2-CB 4.3Å; L443-Q481 PolarHBondContact N-O 3.3Å; Q481-E483 HydrophobicContact CG-CG 4.25Å; Q481-E483 PolarHBondContact NE2-OE1 3.5Å; Q481-Q508 WeakPolarHBondContact CA-O 3.27Å; Q481-Q508 HydrophobicContact CB-CB 4.33Å; Q481-Q508 HydrophobicContact CG-CB 4.13Å; Q481-Q508 HydrophobicContact CG-CG 4.07Å
482L98.4Very high89.6Confident0 Ų058.1 Ų58.10%030%0.301CS..EExtended strand (participates in β ladder)trans-124.1125.5175.9-179.856000110.3T430 L443 L479 M484 V499 L506 Q508 L509 S510T430-L482 HydrophobicContact CG2-CD1 4.12Å; L443-L482 HydrophobicContact CB-CD1 4.15Å; L443-L482 HydrophobicContact CD2-CD1 4.14Å; L443-L482 HydrophobicContact CG-CD1 4.15Å; L443-L482 CarbonylContact O-C 3.58Å; L443-L482 WeakPolarHBondContact O-CA 3.47Å; L479-L482 HydrophobicContact CD2-CB 3.82Å; L479-L482 HydrophobicContact CD2-CD1 4.09Å; L479-L482 HydrophobicContact CD2-CD2 4.28Å; L479-L482 HydrophobicContact CD2-CG 4.27Å; L482-M484 HydrophobicContact CD1-CE 4.31Å; L482-M484 HydrophobicContact CD1-CG 3.97Å; L482-M484 HydrophobicContact CD1-SD 4.08Å; L482-M484 HydrophobicContact CD2-CE 3.61Å; L482-M484 HydrophobicContact CD2-SD 4.23Å; L482-M484 HydrophobicContact CG-CE 3.84Å; L482-M484 HydrophobicContact CG-CG 4.32Å; L482-M484 HydrophobicContact CG-SD 4.28Å; L482-V499 HydrophobicContact CD2-CG1 4.12Å; L482-L506 HydrophobicContact CB-CD1 3.8Å; L482-Q508 PolarHBondContact N-O 2.82Å; L482-L509 HydrophobicContact CB-CD1 4.02Å; L482-L509 HydrophobicContact CD2-CD1 4.01Å; L482-L509 HydrophobicContact CG-CD1 4.02Å; L482-L509 CarbonylContact O-C 3.55Å; L482-L509 WeakPolarHBondContact O-CA 3.37Å; L482-S510 PolarHBondContact O-N 3.17Å
483E98.2Very high91Very high55 Ų5552.1 Ų52.126%0.25727%0.273SS..EExtended strand (participates in β ladder)trans-128.1126.9175.8-54.1-168.9166.200109.9L443 S444 I445 Q481 Q508 S510L443-E483 PolarHBondContact O-N 3.23Å; S444-E483 CarbonylContact C-O 3.49Å; S444-E483 WeakPolarHBondContact CA-O 3.42Å; I445-E483 PolarHBondContact N-O 3.31Å; Q481-E483 HydrophobicContact CG-CG 4.25Å; Q481-E483 PolarHBondContact NE2-OE1 3.5Å; E483-Q508 PolarHBondContact OE1-NE2 3.38Å; E483-S510 WeakPolarHBondContact CA-O 3.39Å
484M97.2Very high91.6Very high3 Ų347.7 Ų47.72%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-134.4119-178.1-68.6176.7-64.900110.8I426 L427 T430 I445 L482 F486 L496 L509 S510 L511 D512I426-M484 HydrophobicContact CG2-CB 4.32Å; I426-M484 HydrophobicContact CG2-CG 4.22Å; I426-M484 HydrophobicContact CG2-SD 4.34Å; L427-M484 HydrophobicContact CD2-SD 3.98Å; T430-M484 HydrophobicContact CG2-SD 4.1Å; I445-M484 CarbonylContact O-C 3.26Å; I445-M484 VanDerWaalsContact O-CA 3.27Å; I445-M484 WeakPolarHBondContact O-CA 3.18Å; L482-M484 HydrophobicContact CD1-CE 4.31Å; L482-M484 HydrophobicContact CD1-CG 3.97Å; L482-M484 HydrophobicContact CD1-SD 4.08Å; L482-M484 HydrophobicContact CD2-CE 3.61Å; L482-M484 HydrophobicContact CD2-SD 4.23Å; L482-M484 HydrophobicContact CG-CE 3.84Å; L482-M484 HydrophobicContact CG-CG 4.32Å; L482-M484 HydrophobicContact CG-SD 4.28Å; M484-F486 HydrophobicContact CB-CD2 4.34Å; M484-F486 HydrophobicContact CB-CE1 4.4Å; M484-F486 HydrophobicContact CB-CE2 3.51Å; M484-F486 HydrophobicContact CB-CZ 3.55Å; M484-F486 HydrophobicContact CE-CZ 4.19Å; M484-F486 HydrophobicContact CG-CZ 4.35Å; M484-F486 HydrophobicContact SD-CZ 4.05Å; M484-L496 HydrophobicContact CE-CD1 3.5Å; M484-L496 VanDerWaalsContact CE-CD1 3.5Å; M484-L509 HydrophobicContact CE-CD1 4.38Å; M484-S510 PolarHBondContact N-O 2.89Å; M484-L511 HydrophobicContact CB-CD2 4.48Å; M484-L511 HydrophobicContact CE-CD2 3.52Å; M484-D512 PolarHBondContact O-N 3.37Å
485G94.9Very high91.8Very high5 Ų549 Ų495%0.05227%0.266CS..EExtended strand (participates in β ladder)trans-107.7111175.100000111.3I426 I445 R446 V447 D512I426-G485 WeakPolarHBondContact CD1-O 3.5Å; I445-G485 PolarHBondContact O-N 3.06Å; R446-G485 WeakPolarHBondContact CA-O 3.47Å; V447-G485 PolarHBondContact N-O 3.35Å; V447-G485 VanDerWaalsContact N-O 3.12Å; G485-D512 CarbonylContact C-O 3.57Å; G485-D512 WeakPolarHBondContact CA-O 3.32Å
486F92.7Very high92.1Very high10 Ų1046.2 Ų46.24%0.04425%0.249CC..PPolyproline II helixtrans-93.8141.2-167.3-62.7-88.7000113.6I426 L427 M484 Q491 L511 D512 S513 A514I426-F486 HydrophobicContact CB-CD1 4.1Å; I426-F486 HydrophobicContact CB-CE1 4.07Å; I426-F486 HydrophobicContact CD1-CD1 4.04Å; I426-F486 HydrophobicContact CD1-CG 4.44Å; I426-F486 HydrophobicContact CG2-CD1 4.13Å; I426-F486 HydrophobicContact CG2-CE1 3.75Å; I426-F486 HydrophobicContact CG2-CZ 4.37Å; L427-F486 HydrophobicContact CD2-CE1 3.9Å; L427-F486 HydrophobicContact CD2-CZ 4.01Å; L427-F486 HydrophobicContact CG-CE1 4.03Å; M484-F486 HydrophobicContact CB-CD2 4.34Å; M484-F486 HydrophobicContact CB-CE1 4.4Å; M484-F486 HydrophobicContact CB-CE2 3.51Å; M484-F486 HydrophobicContact CB-CZ 3.55Å; M484-F486 HydrophobicContact CE-CZ 4.19Å; M484-F486 HydrophobicContact CG-CZ 4.35Å; M484-F486 HydrophobicContact SD-CZ 4.05Å; F486-Q491 HydrophobicContact CD1-CG 3.64Å; F486-Q491 VanDerWaalsContact CD1-OE1 3.27Å; F486-Q491 HydrophobicContact CE1-CG 3.94Å; F486-Q491 HydrophobicContact CG-CG 4.06Å; F486-L511 HydrophobicContact CE2-CD2 4.09Å; F486-D512 WeakPolarHBondContact CD2-O 3.39Å; F486-D512 PolarHBondContact N-O 3.05Å; F486-S513 VanDerWaalsContact O-CB 3.31Å; F486-S513 WeakPolarHBondContact O-CB 3.33Å; F486-A514 HydrophobicContact CD2-CB 3.57Å; F486-A514 HydrophobicContact CE2-CB 3.81Å; F486-A514 HydrophobicContact CG-CB 4.4Å
487P90.1Very high92.3Very high18 Ų1838.5 Ų38.512%0.11721%0.213CC..PPolyproline II helixtrans-68.7159.4164.632.3-34.3000109.3V447 H449 P450 G489V447-P487 VanDerWaalsContact O-CD 3.26Å; V447-P487 WeakPolarHBondContact O-CD 3.48Å; H449-P487 VanDerWaalsContact C-CB 3.42Å; P450-P487 HydrophobicContact CB-CB 4.4Å; P487-G489 PolarHBondContact O-N 3.26Å; P487-G489 VanDerWaalsContact O-N 3.08Å
488R82.6Confident92.2Very high233 Ų23340 Ų4088%0.87922%0.224SC*.SBendtrans-57.6116.1178.7-66.5-177.1-179.8173.92.3110.9
489G81.9Confident92.2Very high35 Ų3537.7 Ų37.736%0.36121%0.209SC..SBendtrans161147.9178.800000111.9P487 Q491 T515P487-G489 PolarHBondContact O-N 3.26Å; P487-G489 VanDerWaalsContact O-N 3.08Å; G489-Q491 PolarHBondContact O-N 3.25Å; G489-Q491 PolarHBondContact O-NE2 3.37Å; G489-T515 PolarHBondContact O-OG1 3.24Å
490A84.5Confident92.1Very high67 Ų6737.7 Ų37.755%0.55421%0.209SC*.BIsolated β-bridgetrans-67.1128.3179.800000111T515 A517A490-T515 CarbonylContact C-O 3.59Å; A490-T515 WeakPolarHBondContact CA-O 3.5Å; A490-T515 PolarHBondContact N-OG1 2.77Å; A490-A517 HydrophobicContact CB-CB 4.47Å
491Q85.4Confident92Very high23 Ų2339.5 Ų39.511%0.10722%0.216CC..  trans-94.3133.6-175.8-59.9-55.8-50.800110.8L427 F486 G489 A493 T515L427-Q491 HydrophobicContact CD1-CB 4.23Å; F486-Q491 HydrophobicContact CD1-CG 3.64Å; F486-Q491 VanDerWaalsContact CD1-OE1 3.27Å; F486-Q491 HydrophobicContact CE1-CG 3.94Å; F486-Q491 HydrophobicContact CG-CG 4.06Å; G489-Q491 PolarHBondContact O-N 3.25Å; G489-Q491 PolarHBondContact O-NE2 3.37Å; Q491-A493 PolarHBondContact O-N 3.04Å; Q491-T515 PolarHBondContact N-O 3.47Å
492P87.5Confident91.8Very high63 Ų6337.6 Ų37.641%0.40921%0.209SC..  trans-69.499.5177.325.5-33000111.2L427 P494 L495 L496L427-P492 HydrophobicContact CD1-CG 3.97Å; L427-P492 WeakPolarHBondContact CD1-O 3.37Å; P492-P494 VanDerWaalsContact C-N 3.32Å; P492-L495 HydrophobicContact CB-CD1 4.13Å; P492-L495 HydrophobicContact CG-CB 4.32Å; P492-L495 HydrophobicContact CG-CD1 3.69Å; P492-L495 HydrophobicContact CG-CG 4.46Å; P492-L495 PolarHBondContact O-N 3.22Å; P492-L495 VanDerWaalsContact O-N 3.07Å; P492-L496 PolarHBondContact O-N 2.63Å
493A90.6Very high91.7Very high1 Ų137.6 Ų37.61%0.00821%0.209CC..Hα-helixtrans-51.1-38.3178.700000114.7Q491 L495 L496 C497 F516 D521 V525Q491-A493 PolarHBondContact O-N 3.04Å; A493-L495 VanDerWaalsContact C-N 3.29Å; A493-L495 PolarHBondContact O-N 3.32Å; A493-L496 PolarHBondContact O-N 2.84Å; A493-C497 WeakPolarHBondContact O-CB 3.48Å; A493-C497 PolarHBondContact O-N 3.47Å; A493-C497 PolarHBondContact O-SG 2.85Å; A493-F516 HydrophobicContact CB-CD1 4.1Å; A493-F516 HydrophobicContact CB-CE1 4.23Å; A493-D521 HydrophobicContact CB-CB 3.76Å; A493-D521 WeakPolarHBondContact CB-O 3.32Å; A493-V525 HydrophobicContact CB-CG2 3.95Å
494P90.8Very high91.5Very high84 Ų8436.4 Ų36.455%0.54521%0.211SC..Hα-helixtrans-59.2-34.6177.1-27.236.6000114.4P492 C497 S498P492-P494 VanDerWaalsContact C-N 3.32Å; P494-C497 PolarHBondContact O-N 3.47Å; P494-S498 PolarHBondContact O-N 3.33Å
495L89.8Confident91.4Very high40 Ų4039 Ų3921%0.20923%0.229CC..Hα-helixtrans-74.8-34.4177.4-75.4168.8000112.2L427 E428 P492 A493 S498 V499L427-L495 HydrophobicContact CB-CB 4.18Å; L427-L495 HydrophobicContact CD1-CB 4.2Å; E428-L495 WeakPolarHBondContact OE1-CD1 3.36Å; E428-L495 WeakPolarHBondContact OE1-CD2 3.35Å; P492-L495 HydrophobicContact CB-CD1 4.13Å; P492-L495 HydrophobicContact CG-CB 4.32Å; P492-L495 HydrophobicContact CG-CD1 3.69Å; P492-L495 HydrophobicContact CG-CG 4.46Å; P492-L495 PolarHBondContact O-N 3.22Å; P492-L495 VanDerWaalsContact O-N 3.07Å; A493-L495 VanDerWaalsContact C-N 3.29Å; A493-L495 PolarHBondContact O-N 3.32Å; L495-S498 PolarHBondContact O-OG 3.46Å; L495-V499 WeakPolarHBondContact O-CG2 3.3Å; L495-V499 PolarHBondContact O-N 3.38Å
496L94.4Very high91.5Very high1 Ų138.7 Ų38.71%0.00523%0.227CC..Hα-helixtrans-65.6-42.4169.3178.555.6000110.6L427 M484 P492 A493 S498 V499 L500 L511 F516 V525L427-L496 HydrophobicContact CD1-CB 4.11Å; L427-L496 HydrophobicContact CD2-CB 4.04Å; L427-L496 HydrophobicContact CD2-CD1 4.07Å; M484-L496 HydrophobicContact CE-CD1 3.5Å; M484-L496 VanDerWaalsContact CE-CD1 3.5Å; P492-L496 PolarHBondContact O-N 2.63Å; A493-L496 PolarHBondContact O-N 2.84Å; L496-S498 PolarHBondContact O-N 3.17Å; L496-V499 PolarHBondContact O-N 3.17Å; L496-L500 HydrophobicContact CD1-CD1 4.12Å; L496-L500 HydrophobicContact CD1-CG 4.14Å; L496-L500 HydrophobicContact CG-CD1 3.92Å; L496-L500 HydrophobicContact CG-CG 4.4Å; L496-L500 VanDerWaalsContact O-CG 3.3Å; L496-L500 WeakPolarHBondContact O-CG 3.11Å; L496-L500 PolarHBondContact O-N 3.07Å; L496-L511 HydrophobicContact CD2-CD1 4.26Å; L496-F516 HydrophobicContact CD2-CE1 4.13Å; L496-F516 HydrophobicContact CD2-CZ 3.9Å; L496-V525 HydrophobicContact CD2-CG1 3.86Å; L496-V525 HydrophobicContact CD2-CG2 3.95Å; L496-V525 HydrophobicContact CG-CG1 4.35Å; L496-V525 HydrophobicContact CG-CG2 4.37Å
497C94.9Very high91.7Very high7 Ų741.4 Ų41.45%0.04724%0.24CC..Hα-helixtrans-62.7-38.5178.7-64.80000112.4A493 P494 L500 K501 T528A493-C497 WeakPolarHBondContact O-CB 3.48Å; A493-C497 PolarHBondContact O-N 3.47Å; A493-C497 PolarHBondContact O-SG 2.85Å; P494-C497 PolarHBondContact O-N 3.47Å; C497-L500 PolarHBondContact O-N 2.87Å; C497-K501 WeakPolarHBondContact O-CB 3.31Å; C497-K501 WeakPolarHBondContact O-CG 3.42Å; C497-K501 PolarHBondContact O-N 3.19Å; C497-T528 HydrophobicContact CB-CG2 4.19Å; C497-T528 PolarHBondContact SG-OG1 3Å
498S93.7Very high92Very high38 Ų3842 Ų4227%0.26624%0.241SC..Hα-helixtrans-66-40.2177.2660000112.5P494 L495 L496 A502P494-S498 PolarHBondContact O-N 3.33Å; L495-S498 PolarHBondContact O-OG 3.46Å; L496-S498 PolarHBondContact O-N 3.17Å; S498-A502 PolarHBondContact O-N 3.19Å
499V94.6Very high92.7Very high0 Ų030.9 Ų30.90%020%0.199CC..Hα-helixtrans-61.4-45.7172.61740000110.9T430 R431 I474 L482 L495 L496 A502 S503T430-V499 HydrophobicContact CG2-CG1 3.84Å; T430-V499 HydrophobicContact CG2-CG2 4.24Å; R431-V499 HydrophobicContact CB-CG2 4.46Å; I474-V499 HydrophobicContact CD1-CB 4.42Å; I474-V499 HydrophobicContact CD1-CG2 3.76Å; L482-V499 HydrophobicContact CD2-CG1 4.12Å; L495-V499 WeakPolarHBondContact O-CG2 3.3Å; L495-V499 PolarHBondContact O-N 3.38Å; L496-V499 PolarHBondContact O-N 3.17Å; V499-A502 PolarHBondContact O-N 3.05Å; V499-S503 WeakPolarHBondContact O-CB 3.27Å; V499-S503 PolarHBondContact O-N 2.85Å; V499-S503 PolarHBondContact O-OG 2.84Å
500L95.9Very high93.4Very high0 Ų030.1 Ų30.10%019%0.188CC..Hα-helixtrans-64.6-41.9-179.8-69.4172.3000112.5L496 C497 A502 S503 L506 L509 V525 T528 L529 N533L496-L500 HydrophobicContact CD1-CD1 4.12Å; L496-L500 HydrophobicContact CD1-CG 4.14Å; L496-L500 HydrophobicContact CG-CD1 3.92Å; L496-L500 HydrophobicContact CG-CG 4.4Å; L496-L500 VanDerWaalsContact O-CG 3.3Å; L496-L500 WeakPolarHBondContact O-CG 3.11Å; L496-L500 PolarHBondContact O-N 3.07Å; C497-L500 PolarHBondContact O-N 2.87Å; L500-A502 VanDerWaalsContact C-N 3.35Å; L500-A502 PolarHBondContact O-N 3.47Å; L500-S503 PolarHBondContact O-N 2.86Å; L500-L506 HydrophobicContact CD2-CD2 3.78Å; L500-L509 HydrophobicContact CD2-CD1 4.5Å; L500-L509 HydrophobicContact CD2-CD2 4.18Å; L500-V525 HydrophobicContact CD1-CG1 3.87Å; L500-T528 HydrophobicContact CB-CG2 4.02Å; L500-L529 HydrophobicContact CD1-CD2 3.68Å; L500-L529 HydrophobicContact CD1-CG 4.19Å; L500-L529 HydrophobicContact CD2-CD2 3.71Å; L500-L529 HydrophobicContact CG-CD2 4.2Å; L500-N533 PolarHBondContact O-ND2 3.4Å
501K95.4Very high94Very high96 Ų9627 Ų2742%0.41716%0.162SC..Hα-helixtrans-59.2-41.2176.4-75.7178-179.5-165.20113.1C497 S503 T528 Y532C497-K501 WeakPolarHBondContact O-CB 3.31Å; C497-K501 WeakPolarHBondContact O-CG 3.42Å; C497-K501 PolarHBondContact O-N 3.19Å; K501-S503 PolarHBondContact O-N 2.78Å; K501-T528 HydrophobicContact CD-CG2 4.46Å; K501-T528 HydrophobicContact CG-CG2 3.7Å; K501-Y532 HydrophobicContact CB-CD1 4.11Å; K501-Y532 HydrophobicContact CB-CE1 4.33Å; K501-Y532 HydrophobicContact CB-CG 4.3Å; K501-Y532 HydrophobicContact CD-CD2 4.47Å; K501-Y532 HydrophobicContact CD-CE1 4.34Å; K501-Y532 HydrophobicContact CD-CE2 4.06Å; K501-Y532 HydrophobicContact CG-CD1 3.9Å; K501-Y532 HydrophobicContact CG-CD2 3.73Å; K501-Y532 HydrophobicContact CG-CE1 3.95Å; K501-Y532 HydrophobicContact CG-CE2 3.8Å; K501-Y532 HydrophobicContact CG-CG 3.79Å
502A94.6Very high94.5Very high11 Ų1127 Ų279%0.09116%0.163CC..Hα-helixtrans-73.1-16.217700000113.5I474 N477 S498 V499 L500I474-A502 HydrophobicContact CB-CB 3.81Å; I474-A502 HydrophobicContact CG2-CB 3.6Å; N477-A502 PolarHBondContact N-O 3.35Å; N477-A502 VanDerWaalsContact N-O 3.07Å; N477-A502 PolarHBondContact ND2-O 2.83Å; S498-A502 PolarHBondContact O-N 3.19Å; V499-A502 PolarHBondContact O-N 3.05Å; L500-A502 VanDerWaalsContact C-N 3.35Å; L500-A502 PolarHBondContact O-N 3.47Å
503S96.1Very high94.8Very high0 Ų025.7 Ų25.70%016%0.155CC..  trans-104.850.9-170.3-51.30000112.3N477 V499 L500 K501 S505 L506 N533N477-S503 PolarHBondContact ND2-OG 3.39Å; N477-S503 PolarHBondContact OD1-OG 3.05Å; V499-S503 WeakPolarHBondContact O-CB 3.27Å; V499-S503 PolarHBondContact O-N 2.85Å; V499-S503 PolarHBondContact O-OG 2.84Å; L500-S503 PolarHBondContact O-N 2.86Å; K501-S503 PolarHBondContact O-N 2.78Å; S503-S505 PolarHBondContact O-N 3.38Å; S503-L506 VanDerWaalsContact O-CB 3.26Å; S503-L506 WeakPolarHBondContact O-CB 3.27Å; S503-L506 PolarHBondContact O-N 3.43Å; S503-L506 VanDerWaalsContact O-N 3.07Å; S503-N533 PolarHBondContact O-ND2 2.7Å
504G93.6Very high94.9Very high30 Ų3025.7 Ų25.731%0.30916%0.155SC..THydrogen-bonded Turntrans-58.7-21.8-174.900000115.3L506G504-L506 VanDerWaalsContact C-N 3.29Å; G504-L506 PolarHBondContact O-N 2.84Å
505S95.3Very high94.9Very high56 Ų5624.2 Ų24.239%0.39214%0.144SC..THydrogen-bonded Turntrans-80.41177.6-64.90000115L479 S503 Q507L479-S505 CarbonylContact O-C 3.55Å; S503-S505 PolarHBondContact O-N 3.38Å; S505-Q507 PolarHBondContact O-N 3.23Å
506L97Very high94.9Very high0 Ų024 Ų240%014%0.142CC..  trans-64.2121.7-171-166.270.6000112.5L479 L482 L500 S503 G504 Q508 L509 A535 L536L479-L506 HydrophobicContact CD2-CD1 4.38Å; L479-L506 HydrophobicContact CG-CD1 4.34Å; L479-L506 VanDerWaalsContact O-CA 3.26Å; L479-L506 WeakPolarHBondContact O-CA 3.4Å; L479-L506 PolarHBondContact O-N 2.85Å; L479-L506 VanDerWaalsContact O-N 3.13Å; L482-L506 HydrophobicContact CB-CD1 3.8Å; L500-L506 HydrophobicContact CD2-CD2 3.78Å; S503-L506 VanDerWaalsContact O-CB 3.26Å; S503-L506 WeakPolarHBondContact O-CB 3.27Å; S503-L506 PolarHBondContact O-N 3.43Å; S503-L506 VanDerWaalsContact O-N 3.07Å; G504-L506 VanDerWaalsContact C-N 3.29Å; G504-L506 PolarHBondContact O-N 2.84Å; L506-Q508 WeakPolarHBondContact CD1-O 3.42Å; L506-L509 HydrophobicContact CD2-CB 4.19Å; L506-L509 HydrophobicContact CD2-CD1 4.48Å; L506-A535 CarbonylContact O-C 3.56Å; L506-A535 VanDerWaalsContact O-C 3.31Å; L506-L536 HydrophobicContact CD2-CD1 4.25Å; L506-L536 HydrophobicContact CG-CD1 4.17Å; L506-L536 VanDerWaalsContact O-CA 3.28Å; L506-L536 WeakPolarHBondContact O-CA 3.21Å; L506-L536 PolarHBondContact O-N 3.04Å; L506-L536 VanDerWaalsContact O-N 3.13Å
507Q96.2Very high94.7Very high67 Ų6727.9 Ų27.931%0.31317%0.174SC..  trans-106.3-25.4178.8-61.3-173.858.800112.8E480 S505 A535 K537 R538E480-Q507 WeakPolarHBondContact O-CA 3.5Å; E480-Q507 PolarHBondContact O-N 2.9Å; S505-Q507 PolarHBondContact O-N 3.23Å; Q507-A535 HydrophobicContact CG-CB 4.44Å; Q507-K537 PolarHBondContact O-N 3.02Å; Q507-R538 PolarHBondContact O-N 2.93Å
508Q97Very high94.4Very high30 Ų3029.1 Ų29.114%0.1418%0.183CC..EExtended strand (participates in β ladder)trans-136.6132.5177.8174.2173.1-27.200112E480 Q481 L482 E483 L506 R538E480-Q508 PolarHBondContact O-N 2.86Å; Q481-Q508 WeakPolarHBondContact CA-O 3.27Å; Q481-Q508 HydrophobicContact CB-CB 4.33Å; Q481-Q508 HydrophobicContact CG-CB 4.13Å; Q481-Q508 HydrophobicContact CG-CG 4.07Å; L482-Q508 PolarHBondContact N-O 2.82Å; E483-Q508 PolarHBondContact OE1-NE2 3.38Å; L506-Q508 WeakPolarHBondContact CD1-O 3.42Å; Q508-R538 WeakPolarHBondContact CA-O 3.35Å; Q508-R538 HydrophobicContact CB-CB 4.22Å; Q508-R538 HydrophobicContact CG-CB 4.19Å
509L97.6Very high94.2Very high0 Ų029 Ų290%018%0.181CC..EExtended strand (participates in β ladder)trans-125.2131170.1179.962.2000110.1L482 M484 L500 L506 L511 L529 L536 R538 L539 S540L482-L509 HydrophobicContact CB-CD1 4.02Å; L482-L509 HydrophobicContact CD2-CD1 4.01Å; L482-L509 HydrophobicContact CG-CD1 4.02Å; L482-L509 CarbonylContact O-C 3.55Å; L482-L509 WeakPolarHBondContact O-CA 3.37Å; M484-L509 HydrophobicContact CE-CD1 4.38Å; L500-L509 HydrophobicContact CD2-CD1 4.5Å; L500-L509 HydrophobicContact CD2-CD2 4.18Å; L506-L509 HydrophobicContact CD2-CB 4.19Å; L506-L509 HydrophobicContact CD2-CD1 4.48Å; L509-L511 HydrophobicContact CD1-CD2 3.92Å; L509-L511 HydrophobicContact CD1-CG 4.49Å; L509-L511 HydrophobicContact CG-CD2 4.31Å; L509-L511 HydrophobicContact CG-CG 4.34Å; L509-L529 HydrophobicContact CD2-CD1 4Å; L509-L529 HydrophobicContact CD2-CD2 3.83Å; L509-L536 HydrophobicContact CB-CD1 4.08Å; L509-R538 PolarHBondContact N-O 3.33Å; L509-L539 HydrophobicContact CB-CD1 3.83Å; L509-L539 HydrophobicContact CD2-CD1 3.91Å; L509-L539 HydrophobicContact CG-CD1 4.04Å; L509-L539 WeakPolarHBondContact O-CA 3.43Å; L509-S540 PolarHBondContact O-N 2.93Å
510S97.4Very high94.1Very high19 Ų1935.4 Ų35.413%0.13321%0.211CC..EExtended strand (participates in β ladder)trans-124.4123.3168.6-165.30000110.9L482 E483 M484 S540L482-S510 PolarHBondContact O-N 3.17Å; E483-S510 WeakPolarHBondContact CA-O 3.39Å; M484-S510 PolarHBondContact N-O 2.89Å; S510-S540 CarbonylContact C-O 3.21Å; S510-S540 VanDerWaalsContact CA-O 3.26Å; S510-S540 WeakPolarHBondContact CA-O 3.34Å; S510-S540 WeakPolarHBondContact OG-CB 3.3Å; S510-S540 PolarHBondContact OG-OG 3.21Å
511L96.8Very high93.9Very high1 Ų137.5 Ų37.51%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-113.2124.6170.9-52.1180000108.9M484 F486 L496 L509 A514 F516 S540 F541 H542 M544M484-L511 HydrophobicContact CB-CD2 4.48Å; M484-L511 HydrophobicContact CE-CD2 3.52Å; F486-L511 HydrophobicContact CE2-CD2 4.09Å; L496-L511 HydrophobicContact CD2-CD1 4.26Å; L509-L511 HydrophobicContact CD1-CD2 3.92Å; L509-L511 HydrophobicContact CD1-CG 4.49Å; L509-L511 HydrophobicContact CG-CD2 4.31Å; L509-L511 HydrophobicContact CG-CG 4.34Å; L511-A514 HydrophobicContact CB-CB 4.06Å; L511-F516 HydrophobicContact CD1-CZ 4.49Å; L511-S540 PolarHBondContact N-O 3.39Å; L511-F541 HydrophobicContact CB-CD1 3.95Å; L511-F541 HydrophobicContact CB-CE1 4.3Å; L511-F541 HydrophobicContact CD1-CD1 4.2Å; L511-F541 HydrophobicContact CD1-CE1 3.75Å; L511-F541 HydrophobicContact CG-CD1 4.17Å; L511-F541 HydrophobicContact CG-CE1 4.02Å; L511-F541 CarbonylContact O-C 3.44Å; L511-F541 WeakPolarHBondContact O-CA 3.31Å; L511-H542 PolarHBondContact O-N 2.93Å; L511-M544 HydrophobicContact CB-SD 3.9Å
512D95.5Very high93.8Very high23 Ų2333 Ų3312%0.12320%0.203CC..EExtended strand (participates in β ladder)trans-121126.8-177.6166.515.8000109R446 M484 G485 F486 A514 H542R446-D512 IonicContact CZ-OD2 2.63Å; R446-D512 IonicContact NE-OD2 2.7Å; R446-D512 IonicContact NH2-OD2 3.97Å; R446-D512 PolarHBondContact NH2-OD2 3.35Å; M484-D512 PolarHBondContact O-N 3.37Å; G485-D512 CarbonylContact C-O 3.57Å; G485-D512 WeakPolarHBondContact CA-O 3.32Å; F486-D512 WeakPolarHBondContact CD2-O 3.39Å; F486-D512 PolarHBondContact N-O 3.05Å; D512-A514 PolarHBondContact O-N 2.83Å; D512-A514 VanDerWaalsContact O-N 3.08Å; D512-H542 CarbonylContact C-O 3.55Å; D512-H542 HydrophobicContact CB-CB 4.11Å; D512-H542 IonicContact OD1-CD2 3.89Å; D512-H542 PolarHBondContact OD1-CD2 3Å
513S93.4Very high93.8Very high35 Ų3533.4 Ų33.425%0.24521%0.208CC..SBendtrans59.718-179.1-54.40000114.5F486 H542F486-S513 VanDerWaalsContact O-CB 3.31Å; F486-S513 WeakPolarHBondContact O-CB 3.33Å; S513-H542 PolarHBondContact N-O 3.09Å
514A92.8Very high93.7Very high2 Ų237.2 Ų37.22%0.01723%0.228CC..  trans-67.6131.4178.200000111.7F486 L511 D512 M544F486-A514 HydrophobicContact CD2-CB 3.57Å; F486-A514 HydrophobicContact CE2-CB 3.81Å; F486-A514 HydrophobicContact CG-CB 4.4Å; L511-A514 HydrophobicContact CB-CB 4.06Å; D512-A514 PolarHBondContact O-N 2.83Å; D512-A514 VanDerWaalsContact O-N 3.08Å; A514-M544 HydrophobicContact CB-CE 3.99Å; A514-M544 HydrophobicContact CB-CG 4.15Å; A514-M544 HydrophobicContact CB-SD 4.06Å; A514-M544 WeakPolarHBondContact O-CG 3.38Å
515T91.1Very high93.8Very high52 Ų5235.9 Ų35.932%0.31921%0.214SC..BIsolated β-bridgetrans-124.6138.5171.3680000110G489 A490 Q491G489-T515 PolarHBondContact O-OG1 3.24Å; A490-T515 CarbonylContact C-O 3.59Å; A490-T515 WeakPolarHBondContact CA-O 3.5Å; A490-T515 PolarHBondContact N-OG1 2.77Å; Q491-T515 PolarHBondContact N-O 3.47Å
516F90.6Very high93.7Very high35 Ų3533.2 Ų33.215%0.15420%0.195CC..  trans-110.7153.6176-63.9-74.5000109.7A493 L496 L511 S518 D521 F522 V525 M544A493-F516 HydrophobicContact CB-CD1 4.1Å; A493-F516 HydrophobicContact CB-CE1 4.23Å; L496-F516 HydrophobicContact CD2-CE1 4.13Å; L496-F516 HydrophobicContact CD2-CZ 3.9Å; L511-F516 HydrophobicContact CD1-CZ 4.49Å; F516-S518 VanDerWaalsContact C-N 3.29Å; F516-S518 PolarHBondContact O-N 3.35Å; F516-D521 HydrophobicContact CB-CB 4.1Å; F516-D521 HydrophobicContact CD1-CB 4.46Å; F516-F522 HydrophobicContact CD2-CB 3.84Å; F516-F522 AromaticContact CD2-CD2 3.79Å; F516-F522 HydrophobicContact CD2-CD2 3.79Å; F516-F522 HydrophobicContact CD2-CG 4.16Å; F516-F522 HydrophobicContact CE2-CB 4.38Å; F516-F522 AromaticContact CE2-CD2 3.53Å; F516-F522 HydrophobicContact CE2-CD2 3.53Å; F516-F522 HydrophobicContact CE2-CE2 4.26Å; F516-F522 HydrophobicContact CE2-CG 4.34Å; F516-F522 HydrophobicContact CG-CB 4.26Å; F516-F522 HydrophobicContact CZ-CD2 4.39Å; F516-V525 HydrophobicContact CE1-CG2 4.01Å; F516-V525 HydrophobicContact CZ-CG2 4.15Å; F516-M544 HydrophobicContact CD2-CE 4.25Å; F516-M544 HydrophobicContact CE2-CE 3.7Å
517A88.8Confident93.6Very high83 Ų8336.6 Ų36.669%0.68621%0.211SC*.SBendtrans-68.9-29.3-178.900000112.4A490A490-A517 HydrophobicContact CB-CB 4.47Å
518S89.3Confident93.5Very high33 Ų3333.6 Ų33.623%0.23120%0.197CC..SBendtrans-145.7160.1178.171.40000112.8F516 Q520 D521 F522F516-S518 VanDerWaalsContact C-N 3.29Å; F516-S518 PolarHBondContact O-N 3.35Å; S518-Q520 PolarHBondContact O-N 3.1Å; S518-Q520 PolarHBondContact OG-N 3.16Å; S518-Q520 PolarHBondContact OG-OE1 3.46Å; S518-D521 WeakPolarHBondContact CB-OD2 3.36Å; S518-D521 PolarHBondContact N-OD2 3.39Å; S518-D521 WeakPolarHBondContact O-CB 3.29Å; S518-D521 PolarHBondContact O-N 3.47Å; S518-D521 PolarHBondContact OG-N 3.01Å; S518-D521 VanDerWaalsContact OG-N 3.09Å; S518-D521 PolarHBondContact OG-OD2 2.67Å; S518-F522 PolarHBondContact O-N 2.83Å
519P89.9Confident93.4Very high35 Ų3532.2 Ų32.223%0.22719%0.191CC..Hα-helixtrans-59.2-31.1168.2-24.235.1000112.7D521 F522 G523 D548P519-D521 PolarHBondContact O-N 3.44Å; P519-F522 PolarHBondContact O-N 3Å; P519-G523 PolarHBondContact O-N 2.8Å; P519-D548 HydrophobicContact CG-CB 4.34Å
520Q91.8Very high93.1Very high136 Ų13635.8 Ų35.864%0.63621%0.206SC*.Hα-helixtrans-64.2-39176.9-66.477.110.800112.1S518 F522 G523 L524S518-Q520 PolarHBondContact O-N 3.1Å; S518-Q520 PolarHBondContact OG-N 3.16Å; S518-Q520 PolarHBondContact OG-OE1 3.46Å; Q520-F522 VanDerWaalsContact C-N 3.33Å; Q520-G523 PolarHBondContact O-N 2.88Å; Q520-L524 PolarHBondContact O-N 3.35Å
521D92.4Very high92.9Very high44 Ų4439.6 Ų39.624%0.23522%0.222CC..Hα-helixtrans-62.9-40.4174.3-66.6-54.7000111.7A493 F516 S518 P519 L524 V525A493-D521 HydrophobicContact CB-CB 3.76Å; A493-D521 WeakPolarHBondContact CB-O 3.32Å; F516-D521 HydrophobicContact CB-CB 4.1Å; F516-D521 HydrophobicContact CD1-CB 4.46Å; S518-D521 WeakPolarHBondContact CB-OD2 3.36Å; S518-D521 PolarHBondContact N-OD2 3.39Å; S518-D521 WeakPolarHBondContact O-CB 3.29Å; S518-D521 PolarHBondContact O-N 3.47Å; S518-D521 PolarHBondContact OG-N 3.01Å; S518-D521 VanDerWaalsContact OG-N 3.09Å; S518-D521 PolarHBondContact OG-OD2 2.67Å; P519-D521 PolarHBondContact O-N 3.44Å; D521-L524 PolarHBondContact O-N 3.04Å; D521-V525 WeakPolarHBondContact O-CG2 3.24Å; D521-V525 PolarHBondContact O-N 3.1Å
522F93.2Very high92.8Very high0 Ų044.4 Ų44.40%024%0.241CC..Hα-helixtrans-68-42.1174.2-179.4-125000111.5F516 S518 P519 Q520 L524 V525 L526 F541 M544 L546 C549 E552F516-F522 HydrophobicContact CD2-CB 3.84Å; F516-F522 AromaticContact CD2-CD2 3.79Å; F516-F522 HydrophobicContact CD2-CD2 3.79Å; F516-F522 HydrophobicContact CD2-CG 4.16Å; F516-F522 HydrophobicContact CE2-CB 4.38Å; F516-F522 AromaticContact CE2-CD2 3.53Å; F516-F522 HydrophobicContact CE2-CD2 3.53Å; F516-F522 HydrophobicContact CE2-CE2 4.26Å; F516-F522 HydrophobicContact CE2-CG 4.34Å; F516-F522 HydrophobicContact CG-CB 4.26Å; F516-F522 HydrophobicContact CZ-CD2 4.39Å; S518-F522 PolarHBondContact O-N 2.83Å; P519-F522 PolarHBondContact O-N 3Å; Q520-F522 VanDerWaalsContact C-N 3.33Å; F522-L524 VanDerWaalsContact C-N 3.3Å; F522-L524 PolarHBondContact O-N 2.84Å; F522-V525 WeakPolarHBondContact O-CB 3.35Å; F522-V525 PolarHBondContact O-N 3.08Å; F522-V525 VanDerWaalsContact O-N 3.11Å; F522-L526 HydrophobicContact CD1-CD1 4.23Å; F522-L526 HydrophobicContact CE1-CD1 3.8Å; F522-L526 HydrophobicContact CE1-CG 4.35Å; F522-L526 HydrophobicContact CE2-CD2 4.02Å; F522-L526 HydrophobicContact CE2-CG 4.21Å; F522-L526 HydrophobicContact CZ-CD1 3.96Å; F522-L526 HydrophobicContact CZ-CD2 3.99Å; F522-L526 HydrophobicContact CZ-CG 4.13Å; F522-L526 WeakPolarHBondContact O-CG 3.41Å; F522-L526 PolarHBondContact O-N 3.44Å; F522-F541 HydrophobicContact CE2-CE2 4.07Å; F522-F541 AromaticContact CE2-CZ 3.97Å; F522-F541 HydrophobicContact CE2-CZ 3.97Å; F522-F541 HydrophobicContact CZ-CD2 4.43Å; F522-F541 AromaticContact CZ-CE2 3.71Å; F522-F541 HydrophobicContact CZ-CE2 3.71Å; F522-F541 HydrophobicContact CZ-CZ 4.07Å; F522-M544 HydrophobicContact CD2-CE 4.43Å; F522-M544 HydrophobicContact CE2-CE 4.06Å; F522-L546 HydrophobicContact CD1-CD2 4.33Å; F522-L546 HydrophobicContact CE1-CD2 3.84Å; F522-L546 HydrophobicContact CZ-CD2 3.97Å; F522-C549 HydrophobicContact CD1-CB 3.77Å; F522-C549 HydrophobicContact CE1-CB 4.03Å; F522-E552 HydrophobicContact CD1-CB 3.58Å; F522-E552 HydrophobicContact CD1-CG 3.97Å; F522-E552 HydrophobicContact CE1-CB 3.75Å
523G93.5Very high92.7Very high20 Ų2043.4 Ų43.421%0.20624%0.236CC..Hα-helixtrans-57.2-39.9173.100000113P519 Q520 V525 L526 Q527P519-G523 PolarHBondContact O-N 2.8Å; Q520-G523 PolarHBondContact O-N 2.88Å; G523-V525 PolarHBondContact O-N 2.77Å; G523-L526 PolarHBondContact O-N 2.9Å; G523-Q527 WeakPolarHBondContact O-CB 3.18Å; G523-Q527 PolarHBondContact O-N 2.83Å
524L94.4Very high92.6Very high81 Ų8147.9 Ų47.942%0.42426%0.256SS..Hα-helixtrans-61.9-40.5174.3-179.667.2000112.4Q520 D521 F522 T528Q520-L524 PolarHBondContact O-N 3.35Å; D521-L524 PolarHBondContact O-N 3.04Å; F522-L524 VanDerWaalsContact C-N 3.3Å; F522-L524 PolarHBondContact O-N 2.84Å; L524-T528 WeakPolarHBondContact O-CB 3.49Å; L524-T528 PolarHBondContact O-N 3.26Å; L524-T528 PolarHBondContact O-OG1 3.16Å
525V95.1Very high92.5Very high2 Ų249.7 Ų49.71%0.01227%0.271CS..Hα-helixtrans-63.4-46.7174.4174.40000110.2A493 L496 L500 F516 D521 F522 G523 Q527 T528 L529A493-V525 HydrophobicContact CB-CG2 3.95Å; L496-V525 HydrophobicContact CD2-CG1 3.86Å; L496-V525 HydrophobicContact CD2-CG2 3.95Å; L496-V525 HydrophobicContact CG-CG1 4.35Å; L496-V525 HydrophobicContact CG-CG2 4.37Å; L500-V525 HydrophobicContact CD1-CG1 3.87Å; F516-V525 HydrophobicContact CE1-CG2 4.01Å; F516-V525 HydrophobicContact CZ-CG2 4.15Å; D521-V525 WeakPolarHBondContact O-CG2 3.24Å; D521-V525 PolarHBondContact O-N 3.1Å; F522-V525 WeakPolarHBondContact O-CB 3.35Å; F522-V525 PolarHBondContact O-N 3.08Å; F522-V525 VanDerWaalsContact O-N 3.11Å; G523-V525 PolarHBondContact O-N 2.77Å; V525-Q527 PolarHBondContact O-N 3.02Å; V525-T528 WeakPolarHBondContact O-CB 3.22Å; V525-T528 PolarHBondContact O-N 3.2Å; V525-L529 WeakPolarHBondContact O-CG 3.44Å; V525-L529 PolarHBondContact O-N 2.96Å
526L94.4Very high92.6Very high0 Ų047.4 Ų47.40%026%0.257CS..Hα-helixtrans-65.3-38.6178.9-62.2-177.1000113.3F522 G523 T528 L529 K530 F541 E552 F555 L556F522-L526 HydrophobicContact CD1-CD1 4.23Å; F522-L526 HydrophobicContact CE1-CD1 3.8Å; F522-L526 HydrophobicContact CE1-CG 4.35Å; F522-L526 HydrophobicContact CE2-CD2 4.02Å; F522-L526 HydrophobicContact CE2-CG 4.21Å; F522-L526 HydrophobicContact CZ-CD1 3.96Å; F522-L526 HydrophobicContact CZ-CD2 3.99Å; F522-L526 HydrophobicContact CZ-CG 4.13Å; F522-L526 WeakPolarHBondContact O-CG 3.41Å; F522-L526 PolarHBondContact O-N 3.44Å; G523-L526 PolarHBondContact O-N 2.9Å; L526-T528 VanDerWaalsContact C-N 3.33Å; L526-L529 HydrophobicContact CD2-CD1 4.16Å; L526-L529 PolarHBondContact O-N 3.46Å; L526-K530 PolarHBondContact O-N 3.26Å; L526-F541 HydrophobicContact CD2-CZ 4.35Å; L526-E552 HydrophobicContact CD1-CB 3.74Å; L526-E552 WeakPolarHBondContact CD1-O 3.23Å; L526-F555 HydrophobicContact CB-CD1 4Å; L526-F555 HydrophobicContact CB-CE1 3.93Å; L526-F555 HydrophobicContact CD1-CD1 4.33Å; L526-L556 HydrophobicContact CD1-CB 4.18Å; L526-L556 HydrophobicContact CD1-CD1 4.48Å; L526-L556 HydrophobicContact CD2-CD1 3.95Å; L526-L556 HydrophobicContact CD2-CG 4.48Å
527Q93.6Very high92.8Very high70 Ų7049.7 Ų49.733%0.32727%0.267SS..Hα-helixtrans-63-41.8173.5-175.565.620.800110.6G523 V525 L529 K530 E531 F555G523-Q527 WeakPolarHBondContact O-CB 3.18Å; G523-Q527 PolarHBondContact O-N 2.83Å; V525-Q527 PolarHBondContact O-N 3.02Å; Q527-L529 PolarHBondContact O-N 3.37Å; Q527-K530 WeakPolarHBondContact O-CB 3.4Å; Q527-K530 PolarHBondContact O-N 2.95Å; Q527-E531 WeakPolarHBondContact CG-OE1 3.35Å; Q527-E531 PolarHBondContact NE2-OE1 2.86Å; Q527-E531 WeakPolarHBondContact O-CG 3.39Å; Q527-E531 PolarHBondContact O-N 2.79Å; Q527-F555 VanDerWaalsContact OE1-CZ 3.23Å
528T95Very high93.1Very high4 Ų451.2 Ų51.23%0.02526%0.255CS..Hα-helixtrans-61.4-42.9174.6-58.90000111.6C497 L500 K501 L524 V525 L526 K530 E531 Y532C497-T528 HydrophobicContact CB-CG2 4.19Å; C497-T528 PolarHBondContact SG-OG1 3Å; L500-T528 HydrophobicContact CB-CG2 4.02Å; K501-T528 HydrophobicContact CD-CG2 4.46Å; K501-T528 HydrophobicContact CG-CG2 3.7Å; L524-T528 WeakPolarHBondContact O-CB 3.49Å; L524-T528 PolarHBondContact O-N 3.26Å; L524-T528 PolarHBondContact O-OG1 3.16Å; V525-T528 WeakPolarHBondContact O-CB 3.22Å; V525-T528 PolarHBondContact O-N 3.2Å; L526-T528 VanDerWaalsContact C-N 3.33Å; T528-K530 VanDerWaalsContact C-N 3.31Å; T528-K530 PolarHBondContact O-N 3.24Å; T528-E531 PolarHBondContact O-N 3.1Å; T528-Y532 HydrophobicContact CG2-CD2 3.99Å; T528-Y532 WeakPolarHBondContact O-CD2 3.48Å; T528-Y532 PolarHBondContact O-N 3.19Å
529L94.7Very high93.4Very high2 Ų249.9 Ų49.91%0.0125%0.245CC..Hα-helixtrans-59.7-41174.4-66.5176000112.1L500 L509 V525 L526 Q527 N533 L536L500-L529 HydrophobicContact CD1-CD2 3.68Å; L500-L529 HydrophobicContact CD1-CG 4.19Å; L500-L529 HydrophobicContact CD2-CD2 3.71Å; L500-L529 HydrophobicContact CG-CD2 4.2Å; L509-L529 HydrophobicContact CD2-CD1 4Å; L509-L529 HydrophobicContact CD2-CD2 3.83Å; V525-L529 WeakPolarHBondContact O-CG 3.44Å; V525-L529 PolarHBondContact O-N 2.96Å; L526-L529 HydrophobicContact CD2-CD1 4.16Å; L526-L529 PolarHBondContact O-N 3.46Å; Q527-L529 PolarHBondContact O-N 3.37Å; L529-N533 HydrophobicContact CD2-CB 4.31Å; L529-N533 WeakPolarHBondContact CD2-OD1 3.5Å; L529-N533 PolarHBondContact O-N 3.3Å; L529-N533 VanDerWaalsContact O-N 3.1Å; L529-L536 HydrophobicContact CD1-CD2 4.32Å; L529-L536 HydrophobicContact CD2-CD2 4.23Å
530K92.3Very high93.7Very high74 Ų7449.7 Ų49.732%0.32224%0.244SC..Hα-helixtrans-64.5-38.7177.9-172.4179.8178.6-179.30112.8L526 Q527 T528 L534 F555 N559 L560L526-K530 PolarHBondContact O-N 3.26Å; Q527-K530 WeakPolarHBondContact O-CB 3.4Å; Q527-K530 PolarHBondContact O-N 2.95Å; T528-K530 VanDerWaalsContact C-N 3.31Å; T528-K530 PolarHBondContact O-N 3.24Å; K530-L534 VanDerWaalsContact O-CD2 3.27Å; K530-L534 WeakPolarHBondContact O-CD2 3.31Å; K530-F555 HydrophobicContact CB-CZ 4.35Å; K530-F555 HydrophobicContact CD-CE1 4.4Å; K530-F555 HydrophobicContact CD-CE2 4.16Å; K530-F555 HydrophobicContact CD-CZ 3.56Å; K530-N559 HydrophobicContact CD-CB 3.94Å; K530-N559 PolarHBondContact NZ-OD1 2.94Å; K530-L560 VanDerWaalsContact CA-CD2 3.48Å; K530-L560 HydrophobicContact CB-CD2 3.6Å; K530-L560 HydrophobicContact CG-CD2 4.02Å
531E93.6Very high94Very high99 Ų9943.3 Ų43.346%0.46322%0.215SC..Hα-helixtrans-82.2-41.6-175.3-73.3172.6-174.400113Q527 T528Q527-E531 WeakPolarHBondContact CG-OE1 3.35Å; Q527-E531 PolarHBondContact NE2-OE1 2.86Å; Q527-E531 WeakPolarHBondContact O-CG 3.39Å; Q527-E531 PolarHBondContact O-N 2.79Å; T528-E531 PolarHBondContact O-N 3.1Å
532Y92.9Very high94.1Very high103 Ų10344.5 Ų44.540%0.40422%0.219SC..Hα-helixtrans-110.1-24.8-167.7-65.6-94.3000114.3K501 T528K501-Y532 HydrophobicContact CB-CD1 4.11Å; K501-Y532 HydrophobicContact CB-CE1 4.33Å; K501-Y532 HydrophobicContact CB-CG 4.3Å; K501-Y532 HydrophobicContact CD-CD2 4.47Å; K501-Y532 HydrophobicContact CD-CE1 4.34Å; K501-Y532 HydrophobicContact CD-CE2 4.06Å; K501-Y532 HydrophobicContact CG-CD1 3.9Å; K501-Y532 HydrophobicContact CG-CD2 3.73Å; K501-Y532 HydrophobicContact CG-CE1 3.95Å; K501-Y532 HydrophobicContact CG-CE2 3.8Å; K501-Y532 HydrophobicContact CG-CG 3.79Å; T528-Y532 HydrophobicContact CG2-CD2 3.99Å; T528-Y532 WeakPolarHBondContact O-CD2 3.48Å; T528-Y532 PolarHBondContact O-N 3.19Å
533N93.9Very high94.1Very high2 Ų248 Ų481%0.01124%0.238CC..  trans-110.652-171.7-51.5106.4000111.7L500 S503 L529 A535 L536L500-N533 PolarHBondContact O-ND2 3.4Å; S503-N533 PolarHBondContact O-ND2 2.7Å; L529-N533 HydrophobicContact CD2-CB 4.31Å; L529-N533 WeakPolarHBondContact CD2-OD1 3.5Å; L529-N533 PolarHBondContact O-N 3.3Å; L529-N533 VanDerWaalsContact O-N 3.1Å; N533-A535 PolarHBondContact O-N 3.25Å; N533-A535 VanDerWaalsContact O-N 3.07Å; N533-L536 HydrophobicContact CB-CB 4.36Å; N533-L536 WeakPolarHBondContact O-CB 3.19Å; N533-L536 PolarHBondContact O-N 2.89Å
534L90.6Very high94.1Very high128 Ų12847.1 Ų47.167%0.6723%0.228SC*.THydrogen-bonded Turntrans-60.3-19.6-177.4-56.8178.4000114.2K530 L536K530-L534 VanDerWaalsContact O-CD2 3.27Å; K530-L534 WeakPolarHBondContact O-CD2 3.31Å; L534-L536 VanDerWaalsContact C-N 3.31Å
535A91.6Very high93.9Very high40 Ų4047.1 Ų47.133%0.33123%0.229SC..THydrogen-bonded Turntrans-82-4.8175.800000114.1L506 Q507 N533 K537L506-A535 CarbonylContact O-C 3.56Å; L506-A535 VanDerWaalsContact O-C 3.31Å; Q507-A535 HydrophobicContact CG-CB 4.44Å; N533-A535 PolarHBondContact O-N 3.25Å; N533-A535 VanDerWaalsContact O-N 3.07Å; A535-K537 PolarHBondContact O-N 2.85Å
536L94.2Very high93.7Very high5 Ų547.2 Ų47.23%0.02623%0.229CC..  trans-67.4120.5-173.4-169.673.4000111.3L506 L509 L529 N533 L534 L562L506-L536 HydrophobicContact CD2-CD1 4.25Å; L506-L536 HydrophobicContact CG-CD1 4.17Å; L506-L536 VanDerWaalsContact O-CA 3.28Å; L506-L536 WeakPolarHBondContact O-CA 3.21Å; L506-L536 PolarHBondContact O-N 3.04Å; L506-L536 VanDerWaalsContact O-N 3.13Å; L509-L536 HydrophobicContact CB-CD1 4.08Å; L529-L536 HydrophobicContact CD1-CD2 4.32Å; L529-L536 HydrophobicContact CD2-CD2 4.23Å; N533-L536 HydrophobicContact CB-CB 4.36Å; N533-L536 WeakPolarHBondContact O-CB 3.19Å; N533-L536 PolarHBondContact O-N 2.89Å; L534-L536 VanDerWaalsContact C-N 3.31Å; L536-L562 HydrophobicContact CB-CD2 4.43Å; L536-L562 HydrophobicContact CD2-CD2 3.85Å; L536-L562 HydrophobicContact CG-CD2 3.75Å
537K93.8Very high93.4Very high82 Ų8247.3 Ų47.336%0.35723%0.23SC..  trans-112.7-30.8-178.8-66.6164.3-166.2161.10112.6Q507 A535 Q563 E564Q507-K537 PolarHBondContact O-N 3.02Å; A535-K537 PolarHBondContact O-N 2.85Å; K537-Q563 HydrophobicContact CB-CG 4.41Å; K537-Q563 HydrophobicContact CG-CG 4.49Å; K537-Q563 PolarHBondContact O-N 2.93Å; K537-E564 PolarHBondContact O-N 2.98Å
538R95.4Very high93.2Very high116 Ų11648.1 Ų48.144%0.43824%0.236SC..EExtended strand (participates in β ladder)trans-126.5127.2-173.8-58.9-165.7-70-147.4-1.3110.9Q507 Q508 L509 E564Q507-R538 PolarHBondContact O-N 2.93Å; Q508-R538 WeakPolarHBondContact CA-O 3.35Å; Q508-R538 HydrophobicContact CB-CB 4.22Å; Q508-R538 HydrophobicContact CG-CB 4.19Å; L509-R538 PolarHBondContact N-O 3.33Å; R538-E564 WeakPolarHBondContact CA-O 3.2Å; R538-E564 WeakPolarHBondContact CD-OE2 3.32Å; R538-E564 HydrophobicContact CG-CB 4.18Å; R538-E564 HydrophobicContact CG-CG 4.47Å
539L95.9Very high93Very high4 Ų448.5 Ų48.52%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-129127.2177.7-172.457.8000110L509 F541 L556 L562 E564 I565 T566L509-L539 HydrophobicContact CB-CD1 3.83Å; L509-L539 HydrophobicContact CD2-CD1 3.91Å; L509-L539 HydrophobicContact CG-CD1 4.04Å; L509-L539 WeakPolarHBondContact O-CA 3.43Å; L539-F541 HydrophobicContact CD1-CD1 4.44Å; L539-F541 HydrophobicContact CD1-CE1 3.61Å; L539-F541 HydrophobicContact CD1-CZ 3.75Å; L539-F541 HydrophobicContact CD2-CE1 4.44Å; L539-F541 HydrophobicContact CD2-CE2 4.11Å; L539-F541 HydrophobicContact CD2-CZ 3.75Å; L539-F541 HydrophobicContact CG-CE1 4.01Å; L539-F541 HydrophobicContact CG-CE2 4.25Å; L539-F541 HydrophobicContact CG-CZ 3.79Å; L539-L556 HydrophobicContact CD2-CD1 3.64Å; L539-L556 HydrophobicContact CD2-CD2 4.21Å; L539-L556 HydrophobicContact CD2-CG 3.93Å; L539-L562 HydrophobicContact CB-CD1 4Å; L539-L562 HydrophobicContact CB-CD2 3.87Å; L539-L562 HydrophobicContact CD2-CD1 3.73Å; L539-E564 PolarHBondContact N-O 3.42Å; L539-I565 CarbonylContact O-C 3.57Å; L539-I565 WeakPolarHBondContact O-CA 3.4Å; L539-T566 PolarHBondContact O-N 2.95Å
540S96.3Very high92.8Very high31 Ų3148.9 Ų48.922%0.21724%0.241CC..EExtended strand (participates in β ladder)trans-128.9126.9-178.5177.30000110.4L509 S510 L511 T566L509-S540 PolarHBondContact O-N 2.93Å; S510-S540 CarbonylContact C-O 3.21Å; S510-S540 VanDerWaalsContact CA-O 3.26Å; S510-S540 WeakPolarHBondContact CA-O 3.34Å; S510-S540 WeakPolarHBondContact OG-CB 3.3Å; S510-S540 PolarHBondContact OG-OG 3.21Å; L511-S540 PolarHBondContact N-O 3.39Å; S540-T566 CarbonylContact C-O 3.31Å; S540-T566 WeakPolarHBondContact CA-O 3.29Å
541F96.4Very high92.8Very high2 Ų248.9 Ų48.91%0.00925%0.25CS..EExtended strand (participates in β ladder)trans-120.2133.3172.3-62.4-32000109.1L511 F522 L526 L539 M544 L546 L556 T566 F567 S568 C570L511-F541 HydrophobicContact CB-CD1 3.95Å; L511-F541 HydrophobicContact CB-CE1 4.3Å; L511-F541 HydrophobicContact CD1-CD1 4.2Å; L511-F541 HydrophobicContact CD1-CE1 3.75Å; L511-F541 HydrophobicContact CG-CD1 4.17Å; L511-F541 HydrophobicContact CG-CE1 4.02Å; L511-F541 CarbonylContact O-C 3.44Å; L511-F541 WeakPolarHBondContact O-CA 3.31Å; F522-F541 HydrophobicContact CE2-CE2 4.07Å; F522-F541 AromaticContact CE2-CZ 3.97Å; F522-F541 HydrophobicContact CE2-CZ 3.97Å; F522-F541 HydrophobicContact CZ-CD2 4.43Å; F522-F541 AromaticContact CZ-CE2 3.71Å; F522-F541 HydrophobicContact CZ-CE2 3.71Å; F522-F541 HydrophobicContact CZ-CZ 4.07Å; L526-F541 HydrophobicContact CD2-CZ 4.35Å; L539-F541 HydrophobicContact CD1-CD1 4.44Å; L539-F541 HydrophobicContact CD1-CE1 3.61Å; L539-F541 HydrophobicContact CD1-CZ 3.75Å; L539-F541 HydrophobicContact CD2-CE1 4.44Å; L539-F541 HydrophobicContact CD2-CE2 4.11Å; L539-F541 HydrophobicContact CD2-CZ 3.75Å; L539-F541 HydrophobicContact CG-CE1 4.01Å; L539-F541 HydrophobicContact CG-CE2 4.25Å; L539-F541 HydrophobicContact CG-CZ 3.79Å; F541-M544 HydrophobicContact CB-CG 4.36Å; F541-M544 HydrophobicContact CB-SD 3.58Å; F541-M544 VanDerWaalsContact CB-SD 3.58Å; F541-M544 HydrophobicContact CD1-SD 3.55Å; F541-M544 VanDerWaalsContact CD1-SD 3.55Å; F541-M544 HydrophobicContact CD2-SD 4.37Å; F541-M544 HydrophobicContact CE1-SD 4.34Å; F541-M544 HydrophobicContact CG-SD 3.58Å; F541-M544 VanDerWaalsContact CG-SD 3.58Å; F541-L546 HydrophobicContact CD2-CD1 4.16Å; F541-L556 HydrophobicContact CE2-CD1 3.59Å; F541-L556 HydrophobicContact CZ-CD1 4.23Å; F541-T566 PolarHBondContact N-O 3.14Å; F541-F567 HydrophobicContact CB-CD1 4.32Å; F541-F567 AromaticContact CD2-CD1 3.82Å; F541-F567 HydrophobicContact CD2-CD1 3.82Å; F541-F567 AromaticContact CD2-CE1 3.59Å; F541-F567 HydrophobicContact CD2-CE1 3.59Å; F541-F567 HydrophobicContact CE2-CE1 4.11Å; F541-S568 PolarHBondContact O-N 3Å; F541-C570 PolarHBondContact O-SG 3.39Å
542H95.5Very high92.8Very high70 Ų7045.6 Ų45.632%0.32424%0.235SC..EExtended strand (participates in β ladder)trans-131133.7-179.4-169.396.4000110.6L511 D512 S513 M544 S568 F569L511-H542 PolarHBondContact O-N 2.93Å; D512-H542 CarbonylContact C-O 3.55Å; D512-H542 HydrophobicContact CB-CB 4.11Å; D512-H542 IonicContact OD1-CD2 3.89Å; D512-H542 PolarHBondContact OD1-CD2 3Å; S513-H542 PolarHBondContact N-O 3.09Å; H542-M544 PolarHBondContact O-N 2.88Å; H542-S568 CarbonylContact C-O 3.16Å; H542-S568 WeakPolarHBondContact CA-O 3.49Å; H542-S568 VanDerWaalsContact ND1-CB 3.27Å; H542-S568 WeakPolarHBondContact ND1-CB 3.42Å; H542-F569 AromaticContact CE1-CD2 3.69Å; H542-F569 AromaticContact CE1-CE2 3.93Å
543D93.3Very high92.7Very high74 Ų7440.7 Ų40.740%0.39622%0.215SC..SBendtrans46.926.9-179.2-156.729.9000115.8S568D543-S568 PolarHBondContact N-O 2.96Å
544M92.8Very high92.6Very high1 Ų141.7 Ų41.71%0.00522%0.221CC..  trans-83.4133.2174.4-63.8-176.661.100110.7L511 A514 F516 F522 F541 H542 L546 C570L511-M544 HydrophobicContact CB-SD 3.9Å; A514-M544 HydrophobicContact CB-CE 3.99Å; A514-M544 HydrophobicContact CB-CG 4.15Å; A514-M544 HydrophobicContact CB-SD 4.06Å; A514-M544 WeakPolarHBondContact O-CG 3.38Å; F516-M544 HydrophobicContact CD2-CE 4.25Å; F516-M544 HydrophobicContact CE2-CE 3.7Å; F522-M544 HydrophobicContact CD2-CE 4.43Å; F522-M544 HydrophobicContact CE2-CE 4.06Å; F541-M544 HydrophobicContact CB-CG 4.36Å; F541-M544 HydrophobicContact CB-SD 3.58Å; F541-M544 VanDerWaalsContact CB-SD 3.58Å; F541-M544 HydrophobicContact CD1-SD 3.55Å; F541-M544 VanDerWaalsContact CD1-SD 3.55Å; F541-M544 HydrophobicContact CD2-SD 4.37Å; F541-M544 HydrophobicContact CE1-SD 4.34Å; F541-M544 HydrophobicContact CG-SD 3.58Å; F541-M544 VanDerWaalsContact CG-SD 3.58Å; H542-M544 PolarHBondContact O-N 2.88Å; M544-L546 HydrophobicContact CB-CD2 4.23Å; M544-L546 HydrophobicContact CB-CG 4.14Å; M544-L546 HydrophobicContact CE-CD2 4.2Å; M544-L546 PolarHBondContact O-N 3.14Å; M544-C570 CarbonylContact O-C 3.59Å; M544-C570 VanDerWaalsContact O-C 3.28Å; M544-C570 WeakPolarHBondContact O-CA 3.29Å; M544-C570 VanDerWaalsContact O-O 3.08Å
545N90.4Very high92.6Very high81 Ų8137.9 Ų37.943%0.43320%0.199SC..  trans-76.794.3173.5-178.719.2000111.3A547N545-A547 WeakPolarHBondContact OD1-CB 3.37Å; N545-A547 PolarHBondContact OD1-N 2.83Å
546L91.1Very high92.6Very high3 Ų336 Ų362%0.01618%0.183CC..  trans-100.411.4179.4-58.5-177.4000113.9F522 F541 M544 D548 C549 V553 F567 C570 L572F522-L546 HydrophobicContact CD1-CD2 4.33Å; F522-L546 HydrophobicContact CE1-CD2 3.84Å; F522-L546 HydrophobicContact CZ-CD2 3.97Å; F541-L546 HydrophobicContact CD2-CD1 4.16Å; M544-L546 HydrophobicContact CB-CD2 4.23Å; M544-L546 HydrophobicContact CB-CG 4.14Å; M544-L546 HydrophobicContact CE-CD2 4.2Å; M544-L546 PolarHBondContact O-N 3.14Å; L546-D548 PolarHBondContact O-N 3.48Å; L546-C549 HydrophobicContact CB-CB 4.31Å; L546-C549 HydrophobicContact CD2-CB 4.04Å; L546-C549 PolarHBondContact O-N 3.14Å; L546-V553 HydrophobicContact CB-CG2 4.49Å; L546-V553 HydrophobicContact CD1-CG2 4.06Å; L546-F567 HydrophobicContact CD1-CD1 3.65Å; L546-F567 HydrophobicContact CD1-CE1 3.75Å; L546-C570 HydrophobicContact CB-CB 4.46Å; L546-C570 WeakPolarHBondContact CB-O 3.49Å; L546-C570 HydrophobicContact CD1-CB 3.88Å; L546-C570 HydrophobicContact CG-CB 4.15Å; L546-C570 PolarHBondContact N-O 3.45Å; L546-C570 VanDerWaalsContact N-O 3.08Å; L546-L572 HydrophobicContact CB-CD2 3.78Å; L546-L572 HydrophobicContact CD1-CD2 4.03Å
547A89.1Confident92.3Very high3 Ų335.7 Ų35.73%0.02518%0.182CC..THydrogen-bonded Turntrans-60-29.1-177.100000113.7N545 R571 E574 K575N545-A547 WeakPolarHBondContact OD1-CB 3.37Å; N545-A547 PolarHBondContact OD1-N 2.83Å; A547-R571 HydrophobicContact CB-CB 4.48Å; A547-E574 HydrophobicContact CB-CB 4.32Å; A547-K575 HydrophobicContact CB-CD 4.17Å; A547-K575 HydrophobicContact CB-CG 4.32Å
548D88.6Confident92Very high87 Ų8737.3 Ų37.347%0.46519%0.19SC..THydrogen-bonded Turntrans-101.81.1176.5-68.6-65.5000113.8P519 L546 K575P519-D548 HydrophobicContact CG-CB 4.34Å; L546-D548 PolarHBondContact O-N 3.48Å; D548-K575 WeakPolarHBondContact OD1-CD 3.07Å; D548-K575 IonicContact OD1-NZ 2.7Å; D548-K575 PolarHBondContact OD1-NZ 3.13Å; D548-K575 IonicContact OD2-NZ 2.88Å; D548-K575 PolarHBondContact OD2-NZ 3Å
549C90.8Very high90.9Very high12 Ų1234.5 Ų34.58%0.08118%0.184CC..  trans-105.333.6-176.2-64.50000112.3F522 L546 E552 V553F522-C549 HydrophobicContact CD1-CB 3.77Å; F522-C549 HydrophobicContact CE1-CB 4.03Å; L546-C549 HydrophobicContact CB-CB 4.31Å; L546-C549 HydrophobicContact CD2-CB 4.04Å; L546-C549 PolarHBondContact O-N 3.14Å; C549-E552 VanDerWaalsContact CA-OE2 3.22Å; C549-E552 WeakPolarHBondContact CA-OE2 3.46Å; C549-E552 HydrophobicContact CB-CB 4.28Å; C549-E552 PolarHBondContact O-N 3.15Å; C549-V553 WeakPolarHBondContact O-CG2 3.43Å; C549-V553 PolarHBondContact O-N 3.48Å
550Q90.4Very high89.7Confident10 Ų1035 Ų355%0.04719%0.187CC..Hα-helixtrans-67.3-41.6-171.9-71.3-176.8-32.800112.3E552 V553 L554 L572 K575 F580Q550-E552 VanDerWaalsContact C-N 3.3Å; Q550-E552 PolarHBondContact O-N 2.86Å; Q550-V553 PolarHBondContact O-N 3.16Å; Q550-L554 WeakPolarHBondContact O-CG 3.42Å; Q550-L554 PolarHBondContact O-N 3.14Å; Q550-L572 PolarHBondContact NE2-O 3.19Å; Q550-K575 PolarHBondContact NE2-O 3.37Å; Q550-F580 HydrophobicContact CB-CD2 3.7Å; Q550-F580 HydrophobicContact CB-CE2 3.7Å; Q550-F580 HydrophobicContact CB-CG 4.47Å; Q550-F580 HydrophobicContact CB-CZ 4.49Å; Q550-F580 HydrophobicContact CG-CD1 4.49Å; Q550-F580 HydrophobicContact CG-CD2 3.81Å; Q550-F580 HydrophobicContact CG-CE2 3.9Å; Q550-F580 HydrophobicContact CG-CG 4.11Å; Q550-F580 HydrophobicContact CG-CZ 4.31Å
551S91.3Very high89.1Confident74 Ų7437.3 Ų37.352%0.51720%0.2SC..Hα-helixtrans-57.5-43173.219.20000112.1L554 F555S551-L554 PolarHBondContact O-N 3.19Å; S551-F555 WeakPolarHBondContact O-CB 3.5Å; S551-F555 PolarHBondContact O-N 3.35Å
552E94Very high88.7Confident29 Ų2937.3 Ų37.314%0.13620%0.2CC..Hα-helixtrans-70.1-40.1-177.9-66.967.8-150.300110.6F522 L526 C549 Q550 F555 L556F522-E552 HydrophobicContact CD1-CB 3.58Å; F522-E552 HydrophobicContact CD1-CG 3.97Å; F522-E552 HydrophobicContact CE1-CB 3.75Å; L526-E552 HydrophobicContact CD1-CB 3.74Å; L526-E552 WeakPolarHBondContact CD1-O 3.23Å; C549-E552 VanDerWaalsContact CA-OE2 3.22Å; C549-E552 WeakPolarHBondContact CA-OE2 3.46Å; C549-E552 HydrophobicContact CB-CB 4.28Å; C549-E552 PolarHBondContact O-N 3.15Å; Q550-E552 VanDerWaalsContact C-N 3.3Å; Q550-E552 PolarHBondContact O-N 2.86Å; E552-F555 WeakPolarHBondContact O-CB 3.49Å; E552-F555 PolarHBondContact O-N 2.8Å; E552-L556 WeakPolarHBondContact O-CB 3.42Å; E552-L556 PolarHBondContact O-N 3.07Å
553V92.1Very high88.5Confident0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-66.5-38.9173.1171.90000111.8L546 C549 Q550 L556 L557 F567 L572 F580L546-V553 HydrophobicContact CB-CG2 4.49Å; L546-V553 HydrophobicContact CD1-CG2 4.06Å; C549-V553 WeakPolarHBondContact O-CG2 3.43Å; C549-V553 PolarHBondContact O-N 3.48Å; Q550-V553 PolarHBondContact O-N 3.16Å; V553-L556 PolarHBondContact O-N 3.35Å; V553-L557 HydrophobicContact CG1-CD1 4.18Å; V553-L557 WeakPolarHBondContact O-CG 3.18Å; V553-L557 PolarHBondContact O-N 3.47Å; V553-L557 VanDerWaalsContact O-N 3.07Å; V553-F567 HydrophobicContact CG1-CE1 4.31Å; V553-F567 HydrophobicContact CG1-CE2 4.36Å; V553-F567 HydrophobicContact CG1-CZ 3.8Å; V553-F567 HydrophobicContact CG2-CE1 4.08Å; V553-F567 HydrophobicContact CG2-CZ 4.33Å; V553-L572 HydrophobicContact CB-CD2 4.5Å; V553-L572 HydrophobicContact CG1-CD2 4.17Å; V553-L572 HydrophobicContact CG2-CD2 3.81Å; V553-F580 HydrophobicContact CB-CZ 4.27Å; V553-F580 HydrophobicContact CG1-CZ 3.9Å
554L91.9Very high88.5Confident24 Ų2436.5 Ų36.513%0.12619%0.194CC..Hα-helixtrans-65.7-42.3172.7-67.9173.7000111.6Q550 S551 L556 L557 Q558 F580 E583 M584 A587Q550-L554 WeakPolarHBondContact O-CG 3.42Å; Q550-L554 PolarHBondContact O-N 3.14Å; S551-L554 PolarHBondContact O-N 3.19Å; L554-L556 PolarHBondContact O-N 2.86Å; L554-L557 PolarHBondContact O-N 3.46Å; L554-Q558 WeakPolarHBondContact O-CB 3.4Å; L554-Q558 VanDerWaalsContact O-CG 3.28Å; L554-Q558 WeakPolarHBondContact O-CG 3.4Å; L554-Q558 PolarHBondContact O-N 3.48Å; L554-F580 HydrophobicContact CD1-CE2 4.49Å; L554-F580 HydrophobicContact CD2-CE2 4.14Å; L554-F580 HydrophobicContact CG-CD2 4.49Å; L554-F580 HydrophobicContact CG-CE2 3.99Å; L554-E583 HydrophobicContact CD1-CB 3.97Å; L554-E583 HydrophobicContact CD2-CB 4.02Å; L554-M584 HydrophobicContact CD2-CB 4.29Å; L554-A587 HydrophobicContact CD2-CB 4.05Å
555F90.4Very high88.6Confident47 Ų4736.5 Ų36.521%0.20619%0.194CC..Hα-helixtrans-56.5-49.3174.7171.3-90.9000111.2L526 Q527 K530 S551 E552 L557 Q558 N559L526-F555 HydrophobicContact CB-CD1 4Å; L526-F555 HydrophobicContact CB-CE1 3.93Å; L526-F555 HydrophobicContact CD1-CD1 4.33Å; Q527-F555 VanDerWaalsContact OE1-CZ 3.23Å; K530-F555 HydrophobicContact CB-CZ 4.35Å; K530-F555 HydrophobicContact CD-CE1 4.4Å; K530-F555 HydrophobicContact CD-CE2 4.16Å; K530-F555 HydrophobicContact CD-CZ 3.56Å; S551-F555 WeakPolarHBondContact O-CB 3.5Å; S551-F555 PolarHBondContact O-N 3.35Å; E552-F555 WeakPolarHBondContact O-CB 3.49Å; E552-F555 PolarHBondContact O-N 2.8Å; F555-L557 VanDerWaalsContact C-N 3.34Å; F555-L557 PolarHBondContact O-N 3.24Å; F555-Q558 PolarHBondContact O-N 3.5Å; F555-Q558 VanDerWaalsContact O-N 3.16Å; F555-N559 HydrophobicContact CD2-CB 4.25Å; F555-N559 WeakPolarHBondContact CD2-ND2 3.38Å; F555-N559 HydrophobicContact CE1-CB 4.47Å; F555-N559 HydrophobicContact CE2-CB 4.08Å; F555-N559 HydrophobicContact CZ-CB 4.2Å; F555-N559 VanDerWaalsContact O-CB 3.23Å; F555-N559 WeakPolarHBondContact O-CB 3.15Å; F555-N559 PolarHBondContact O-N 3.31Å; F555-N559 PolarHBondContact O-ND2 2.91Å
556L90.3Very high88.9Confident0 Ų033.9 Ų33.90%018%0.181CC..Hα-helixtrans-55-46.6176.3-177.8169.5000111.8L526 L539 F541 E552 V553 L554 Q558 L560 L562 I565 F567L526-L556 HydrophobicContact CD1-CB 4.18Å; L526-L556 HydrophobicContact CD1-CD1 4.48Å; L526-L556 HydrophobicContact CD2-CD1 3.95Å; L526-L556 HydrophobicContact CD2-CG 4.48Å; L539-L556 HydrophobicContact CD2-CD1 3.64Å; L539-L556 HydrophobicContact CD2-CD2 4.21Å; L539-L556 HydrophobicContact CD2-CG 3.93Å; F541-L556 HydrophobicContact CE2-CD1 3.59Å; F541-L556 HydrophobicContact CZ-CD1 4.23Å; E552-L556 WeakPolarHBondContact O-CB 3.42Å; E552-L556 PolarHBondContact O-N 3.07Å; V553-L556 PolarHBondContact O-N 3.35Å; L554-L556 PolarHBondContact O-N 2.86Å; L556-Q558 VanDerWaalsContact C-N 3.34Å; L556-Q558 PolarHBondContact O-N 2.83Å; L556-L560 HydrophobicContact CB-CD1 4.41Å; L556-L560 HydrophobicContact CG-CD1 4.02Å; L556-L562 HydrophobicContact CD2-CD1 3.88Å; L556-L562 HydrophobicContact CG-CD1 4.36Å; L556-I565 HydrophobicContact CD2-CD1 3.47Å; L556-I565 VanDerWaalsContact CD2-CD1 3.47Å; L556-I565 HydrophobicContact CD2-CG1 4.13Å; L556-I565 HydrophobicContact CD2-CG2 4.18Å; L556-F567 HydrophobicContact CD1-CE1 4.38Å; L556-F567 HydrophobicContact CD1-CZ 4.11Å; L556-F567 HydrophobicContact CD2-CZ 4.31Å
557L89.1Confident89.1Confident0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-68.3-29.2179-72.5168.1000113.5V553 L554 F555 I565 M584 A587 M588 N591 L594V553-L557 HydrophobicContact CG1-CD1 4.18Å; V553-L557 WeakPolarHBondContact O-CG 3.18Å; V553-L557 PolarHBondContact O-N 3.47Å; V553-L557 VanDerWaalsContact O-N 3.07Å; L554-L557 PolarHBondContact O-N 3.46Å; F555-L557 VanDerWaalsContact C-N 3.34Å; F555-L557 PolarHBondContact O-N 3.24Å; L557-I565 HydrophobicContact CD2-CD1 3.72Å; L557-M584 HydrophobicContact CD1-CG 3.46Å; L557-M584 VanDerWaalsContact CD1-CG 3.46Å; L557-M584 HydrophobicContact CD1-SD 4.49Å; L557-A587 HydrophobicContact CB-CB 4.04Å; L557-M588 HydrophobicContact CD1-CG 4.5Å; L557-M588 HydrophobicContact CD2-CG 4.2Å; L557-N591 WeakPolarHBondContact O-CB 3.49Å; L557-N591 PolarHBondContact O-ND2 3.13Å; L557-L594 HydrophobicContact CD2-CD2 4.1Å
558Q86.7Confident89.3Confident115 Ų11534.3 Ų34.354%0.53718%0.184SC..Hα-helixtrans-91.6-31.9-177.2-70.7172.90.300114.2L554 F555 L556 A587L554-Q558 WeakPolarHBondContact O-CB 3.4Å; L554-Q558 VanDerWaalsContact O-CG 3.28Å; L554-Q558 WeakPolarHBondContact O-CG 3.4Å; L554-Q558 PolarHBondContact O-N 3.48Å; F555-Q558 PolarHBondContact O-N 3.5Å; F555-Q558 VanDerWaalsContact O-N 3.16Å; L556-Q558 VanDerWaalsContact C-N 3.34Å; L556-Q558 PolarHBondContact O-N 2.83Å; Q558-A587 HydrophobicContact CG-CB 3.71Å
559N72.3Confident89.5Confident58 Ų5835.3 Ų35.331%0.3118%0.184SC..Hα-helixtrans-114.2-4.5-159.1-72.3-92.5000115.8K530 F555K530-N559 HydrophobicContact CD-CB 3.94Å; K530-N559 PolarHBondContact NZ-OD1 2.94Å; F555-N559 HydrophobicContact CD2-CB 4.25Å; F555-N559 WeakPolarHBondContact CD2-ND2 3.38Å; F555-N559 HydrophobicContact CE1-CB 4.47Å; F555-N559 HydrophobicContact CE2-CB 4.08Å; F555-N559 HydrophobicContact CZ-CB 4.2Å; F555-N559 VanDerWaalsContact O-CB 3.23Å; F555-N559 WeakPolarHBondContact O-CB 3.15Å; F555-N559 PolarHBondContact O-N 3.31Å; F555-N559 PolarHBondContact O-ND2 2.91Å
560L72.1Confident89.6Confident15 Ų1534.8 Ų34.88%0.07918%0.18CC..SBendtrans-115.2142.5-175.7-59.8174.4000111K530 L556 L562 N591K530-L560 VanDerWaalsContact CA-CD2 3.48Å; K530-L560 HydrophobicContact CB-CD2 3.6Å; K530-L560 HydrophobicContact CG-CD2 4.02Å; L556-L560 HydrophobicContact CB-CD1 4.41Å; L556-L560 HydrophobicContact CG-CD1 4.02Å; L560-L562 HydrophobicContact CB-CD1 3.74Å; L560-L562 HydrophobicContact CB-CG 3.77Å; L560-L562 HydrophobicContact CD1-CD1 3.66Å; L560-L562 HydrophobicContact CD1-CG 4.42Å; L560-L562 HydrophobicContact CG-CD1 4.36Å; L560-L562 PolarHBondContact O-N 3.38Å; L560-N591 PolarHBondContact O-ND2 2.82Å
561T82.1Confident89.6Confident79 Ų7939.6 Ų39.649%0.48520%0.198SC..  trans-73.528177.647.40000113.7
562L88.2Confident89.4Confident1 Ų136 Ų361%0.00517%0.174CC..  trans-69136.8-175.2-71.5168.5000111L536 L539 L556 L560 I565 T593 L594L536-L562 HydrophobicContact CB-CD2 4.43Å; L536-L562 HydrophobicContact CD2-CD2 3.85Å; L536-L562 HydrophobicContact CG-CD2 3.75Å; L539-L562 HydrophobicContact CB-CD1 4Å; L539-L562 HydrophobicContact CB-CD2 3.87Å; L539-L562 HydrophobicContact CD2-CD1 3.73Å; L556-L562 HydrophobicContact CD2-CD1 3.88Å; L556-L562 HydrophobicContact CG-CD1 4.36Å; L560-L562 HydrophobicContact CB-CD1 3.74Å; L560-L562 HydrophobicContact CB-CG 3.77Å; L560-L562 HydrophobicContact CD1-CD1 3.66Å; L560-L562 HydrophobicContact CD1-CG 4.42Å; L560-L562 HydrophobicContact CG-CD1 4.36Å; L560-L562 PolarHBondContact O-N 3.38Å; L562-I565 HydrophobicContact CB-CD1 4.19Å; L562-I565 HydrophobicContact CB-CG1 4.03Å; L562-I565 HydrophobicContact CD1-CD1 4Å; L562-I565 HydrophobicContact CD1-CG1 3.89Å; L562-T593 CarbonylContact O-C 3.44Å; L562-T593 PolarHBondContact O-OG1 2.78Å; L562-L594 VanDerWaalsContact O-CA 3.29Å; L562-L594 WeakPolarHBondContact O-CA 3.36Å; L562-L594 PolarHBondContact O-N 3.31Å
563Q92.1Very high89.1Confident63 Ų6335 Ų3529%0.29417%0.169SC..SBendtrans-98.2-33.3175.7-59-171.532.600111.7K537 K595 G596K537-Q563 HydrophobicContact CB-CG 4.41Å; K537-Q563 HydrophobicContact CG-CG 4.49Å; K537-Q563 PolarHBondContact O-N 2.93Å; Q563-K595 HydrophobicContact CB-CD 4.5Å; Q563-K595 WeakPolarHBondContact O-CA 3.41Å; Q563-K595 WeakPolarHBondContact O-CB 3.38Å; Q563-K595 PolarHBondContact O-N 2.89Å; Q563-G596 PolarHBondContact O-N 3.12Å; Q563-G596 VanDerWaalsContact O-N 3.13Å
564E93.7Very high88.8Confident65 Ų6540.8 Ų40.830%0.30420%0.195SC..EExtended strand (participates in β ladder)trans-133.7131.4177.1-56.6-173.2133.200111K537 R538 L539 G596 R598K537-E564 PolarHBondContact O-N 2.98Å; R538-E564 WeakPolarHBondContact CA-O 3.2Å; R538-E564 WeakPolarHBondContact CD-OE2 3.32Å; R538-E564 HydrophobicContact CG-CB 4.18Å; R538-E564 HydrophobicContact CG-CG 4.47Å; L539-E564 PolarHBondContact N-O 3.42Å; E564-G596 WeakPolarHBondContact CA-O 3.02Å; E564-R598 IonicContact OE1-NH2 3.79Å
565I94.6Very high88.4Confident1 Ų143.9 Ų43.91%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-126.3132.7174.2-57.8163.5000109L539 L556 L557 L562 F567 L594 G596 L597 R598L539-I565 CarbonylContact O-C 3.57Å; L539-I565 WeakPolarHBondContact O-CA 3.4Å; L556-I565 HydrophobicContact CD2-CD1 3.47Å; L556-I565 VanDerWaalsContact CD2-CD1 3.47Å; L556-I565 HydrophobicContact CD2-CG1 4.13Å; L556-I565 HydrophobicContact CD2-CG2 4.18Å; L557-I565 HydrophobicContact CD2-CD1 3.72Å; L562-I565 HydrophobicContact CB-CD1 4.19Å; L562-I565 HydrophobicContact CB-CG1 4.03Å; L562-I565 HydrophobicContact CD1-CD1 4Å; L562-I565 HydrophobicContact CD1-CG1 3.89Å; I565-F567 HydrophobicContact CG2-CD2 3.77Å; I565-F567 HydrophobicContact CG2-CE2 3.29Å; I565-F567 HydrophobicContact CG2-CZ 3.75Å; I565-L594 HydrophobicContact CB-CD1 4.35Å; I565-L594 HydrophobicContact CD1-CD1 3.61Å; I565-L594 HydrophobicContact CD1-CD2 4.23Å; I565-L594 HydrophobicContact CG1-CD1 3.79Å; I565-G596 PolarHBondContact N-O 3.05Å; I565-L597 HydrophobicContact CB-CD1 3.83Å; I565-L597 HydrophobicContact CG2-CD1 3.93Å; I565-L597 WeakPolarHBondContact O-CA 3.38Å; I565-R598 PolarHBondContact O-N 3.21Å
566T95.3Very high87.9Confident26 Ų2648.2 Ų48.216%0.1622%0.223CC..EExtended strand (participates in β ladder)trans-125.7121.8175.4-63.20000110.2L539 S540 F541 S568 R598L539-T566 PolarHBondContact O-N 2.95Å; S540-T566 CarbonylContact C-O 3.31Å; S540-T566 WeakPolarHBondContact CA-O 3.29Å; F541-T566 PolarHBondContact N-O 3.14Å; T566-S568 WeakPolarHBondContact CG2-OG 3.48Å; T566-R598 CarbonylContact C-O 3.39Å; T566-R598 WeakPolarHBondContact CA-O 3.49Å; T566-R598 HydrophobicContact CG2-CB 4.1Å
567F95.3Very high87.6Confident0 Ų050.5 Ų50.50%024%0.238CC..EExtended strand (participates in β ladder)trans-113.6101.9169.7-61.5-85.1000108.6F541 L546 V553 L556 I565 C570 L572 L597 R598 L599 P600 N602F541-F567 HydrophobicContact CB-CD1 4.32Å; F541-F567 AromaticContact CD2-CD1 3.82Å; F541-F567 HydrophobicContact CD2-CD1 3.82Å; F541-F567 AromaticContact CD2-CE1 3.59Å; F541-F567 HydrophobicContact CD2-CE1 3.59Å; F541-F567 HydrophobicContact CE2-CE1 4.11Å; L546-F567 HydrophobicContact CD1-CD1 3.65Å; L546-F567 HydrophobicContact CD1-CE1 3.75Å; V553-F567 HydrophobicContact CG1-CE1 4.31Å; V553-F567 HydrophobicContact CG1-CE2 4.36Å; V553-F567 HydrophobicContact CG1-CZ 3.8Å; V553-F567 HydrophobicContact CG2-CE1 4.08Å; V553-F567 HydrophobicContact CG2-CZ 4.33Å; L556-F567 HydrophobicContact CD1-CE1 4.38Å; L556-F567 HydrophobicContact CD1-CZ 4.11Å; L556-F567 HydrophobicContact CD2-CZ 4.31Å; I565-F567 HydrophobicContact CG2-CD2 3.77Å; I565-F567 HydrophobicContact CG2-CE2 3.29Å; I565-F567 HydrophobicContact CG2-CZ 3.75Å; F567-C570 HydrophobicContact CB-CB 4.11Å; F567-C570 HydrophobicContact CD1-CB 4.48Å; F567-L572 HydrophobicContact CB-CD1 3.68Å; F567-L572 HydrophobicContact CD1-CD1 4.17Å; F567-L572 HydrophobicContact CD1-CD2 4.44Å; F567-L572 HydrophobicContact CD2-CD1 4.06Å; F567-L572 HydrophobicContact CG-CD1 3.75Å; F567-L597 HydrophobicContact CD2-CD1 3.87Å; F567-L597 HydrophobicContact CE2-CD1 3.89Å; F567-R598 PolarHBondContact N-O 3.21Å; F567-L599 HydrophobicContact CB-CD2 3.97Å; F567-L599 HydrophobicContact CD2-CD2 3.69Å; F567-L599 HydrophobicContact CG-CD2 4.28Å; F567-L599 CarbonylContact O-C 3.37Å; F567-L599 WeakPolarHBondContact O-CA 3.5Å; F567-P600 WeakPolarHBondContact O-CD 3.21Å; F567-N602 PolarHBondContact O-ND2 3.45Å
568S94.1Very high87.3Confident15 Ų1554.8 Ų54.811%0.10527%0.273CS..EExtended strand (participates in β ladder)trans-100.4118.7-179.4-57.60000110.8F541 H542 D543 T566 C570 P600F541-S568 PolarHBondContact O-N 3Å; H542-S568 CarbonylContact C-O 3.16Å; H542-S568 WeakPolarHBondContact CA-O 3.49Å; H542-S568 VanDerWaalsContact ND1-CB 3.27Å; H542-S568 WeakPolarHBondContact ND1-CB 3.42Å; D543-S568 PolarHBondContact N-O 2.96Å; T566-S568 WeakPolarHBondContact CG2-OG 3.48Å; S568-C570 PolarHBondContact N-SG 3.34Å; S568-C570 VanDerWaalsContact N-SG 3.43Å; S568-C570 PolarHBondContact O-N 3.13Å; S568-C570 VanDerWaalsContact O-N 3.15Å; S568-C570 PolarHBondContact O-SG 3.33Å; S568-P600 WeakPolarHBondContact CA-O 3.48Å; S568-P600 WeakPolarHBondContact OG-CG 3.28Å
569F92.8Very high87.3Confident108 Ų10854.3 Ų54.347%0.47427%0.271SS..SBendtrans58.522.2178.8-52.9-83.8000114.8H542 R571 P600H542-F569 AromaticContact CE1-CD2 3.69Å; H542-F569 AromaticContact CE1-CE2 3.93Å; F569-R571 VanDerWaalsContact C-N 3.27Å; F569-R571 PolarHBondContact O-N 2.85Å; F569-R571 VanDerWaalsContact O-N 3.11Å; F569-P600 PolarHBondContact N-O 2.57Å
570C92.1Very high88.1Confident0 Ų051.5 Ų51.50%026%0.256CS..  trans-78.810-169-60.80000116.9F541 M544 L546 F567 S568 L572 N602F541-C570 PolarHBondContact O-SG 3.39Å; M544-C570 CarbonylContact O-C 3.59Å; M544-C570 VanDerWaalsContact O-C 3.28Å; M544-C570 WeakPolarHBondContact O-CA 3.29Å; M544-C570 VanDerWaalsContact O-O 3.08Å; L546-C570 HydrophobicContact CB-CB 4.46Å; L546-C570 WeakPolarHBondContact CB-O 3.49Å; L546-C570 HydrophobicContact CD1-CB 3.88Å; L546-C570 HydrophobicContact CG-CB 4.15Å; L546-C570 PolarHBondContact N-O 3.45Å; L546-C570 VanDerWaalsContact N-O 3.08Å; F567-C570 HydrophobicContact CB-CB 4.11Å; F567-C570 HydrophobicContact CD1-CB 4.48Å; S568-C570 PolarHBondContact N-SG 3.34Å; S568-C570 VanDerWaalsContact N-SG 3.43Å; S568-C570 PolarHBondContact O-N 3.13Å; S568-C570 VanDerWaalsContact O-N 3.15Å; S568-C570 PolarHBondContact O-SG 3.33Å; C570-L572 HydrophobicContact CB-CG 4.12Å; C570-L572 PolarHBondContact O-N 3.46Å; C570-N602 PolarHBondContact N-OD1 3.45Å; C570-N602 VanDerWaalsContact N-OD1 3.1Å
571R90.6Very high89Confident111 Ų11153.9 Ų53.942%0.41927%0.268SS..  trans56.518.6176.8-54.1-171.7-164.5-1624.4116.2A547 F569 F573 E574 N602A547-R571 HydrophobicContact CB-CB 4.48Å; F569-R571 VanDerWaalsContact C-N 3.27Å; F569-R571 PolarHBondContact O-N 2.85Å; F569-R571 VanDerWaalsContact O-N 3.11Å; R571-F573 PolarHBondContact O-N 3Å; R571-E574 HydrophobicContact CB-CG 4.04Å; R571-E574 WeakPolarHBondContact CD-OE1 3.38Å; R571-E574 WeakPolarHBondContact CG-OE1 3.48Å; R571-E574 PolarHBondContact O-N 3.22Å; R571-E574 VanDerWaalsContact O-N 3.1Å; R571-N602 PolarHBondContact N-OD1 3.31Å
572L87.8Confident89.4Confident0 Ų053.7 Ų53.70%027%0.268CS..THydrogen-bonded Turntrans-50.4-34-171.8-72.3170000115.3L546 Q550 V553 F567 C570 F580 L599L546-L572 HydrophobicContact CB-CD2 3.78Å; L546-L572 HydrophobicContact CD1-CD2 4.03Å; Q550-L572 PolarHBondContact NE2-O 3.19Å; V553-L572 HydrophobicContact CB-CD2 4.5Å; V553-L572 HydrophobicContact CG1-CD2 4.17Å; V553-L572 HydrophobicContact CG2-CD2 3.81Å; F567-L572 HydrophobicContact CB-CD1 3.68Å; F567-L572 HydrophobicContact CD1-CD1 4.17Å; F567-L572 HydrophobicContact CD1-CD2 4.44Å; F567-L572 HydrophobicContact CD2-CD1 4.06Å; F567-L572 HydrophobicContact CG-CD1 3.75Å; C570-L572 HydrophobicContact CB-CG 4.12Å; C570-L572 PolarHBondContact O-N 3.46Å; L572-F580 HydrophobicContact CB-CE1 4.32Å; L572-L599 HydrophobicContact CD1-CD2 3.97Å
573F88.1Confident89.6Confident8 Ų857.9 Ų57.94%0.03529%0.288CS..THydrogen-bonded Turntrans-104.38.8-171.7-53.5-60.9000114R571 K575 P577 F580 L581 M584 L599 N602 L604R571-F573 PolarHBondContact O-N 3Å; F573-K575 VanDerWaalsContact C-N 3.32Å; F573-K575 PolarHBondContact O-N 3.05Å; F573-P577 HydrophobicContact CB-CB 4.24Å; F573-F580 AromaticContact CD1-CD1 3.93Å; F573-F580 HydrophobicContact CD1-CD1 3.93Å; F573-F580 HydrophobicContact CD1-CE1 4.2Å; F573-F580 AromaticContact CE1-CD1 3.93Å; F573-F580 HydrophobicContact CE1-CD1 3.93Å; F573-F580 AromaticContact CE1-CE1 3.9Å; F573-F580 HydrophobicContact CE1-CE1 3.9Å; F573-L581 HydrophobicContact CE1-CD1 4.47Å; F573-M584 HydrophobicContact CE1-CE 4.21Å; F573-M584 HydrophobicContact CE1-SD 4.14Å; F573-M584 HydrophobicContact CZ-CE 3.96Å; F573-M584 HydrophobicContact CZ-SD 4.09Å; F573-L599 HydrophobicContact CE2-CD1 4.29Å; F573-L599 HydrophobicContact CZ-CD1 4.08Å; F573-N602 HydrophobicContact CD2-CB 3.85Å; F573-N602 HydrophobicContact CE2-CB 3.91Å; F573-L604 HydrophobicContact CB-CD2 4.11Å; F573-L604 HydrophobicContact CD1-CD2 3.85Å; F573-L604 HydrophobicContact CD2-CD2 3.46Å; F573-L604 VanDerWaalsContact CD2-CD2 3.46Å; F573-L604 HydrophobicContact CD2-CG 3.97Å; F573-L604 HydrophobicContact CE1-CD2 4.14Å; F573-L604 HydrophobicContact CE2-CD2 3.76Å; F573-L604 HydrophobicContact CE2-CG 4.27Å; F573-L604 HydrophobicContact CG-CD2 3.52Å; F573-L604 HydrophobicContact CG-CG 4.43Å; F573-L604 HydrophobicContact CZ-CD2 4.1Å
574E86.4Confident89.5Confident120 Ų12055.2 Ų55.256%0.56128%0.276SS*.SBendtrans-69.3-28.7178.5-70-173.9177.200112.7A547 R571A547-E574 HydrophobicContact CB-CB 4.32Å; R571-E574 HydrophobicContact CB-CG 4.04Å; R571-E574 WeakPolarHBondContact CD-OE1 3.38Å; R571-E574 WeakPolarHBondContact CG-OE1 3.48Å; R571-E574 PolarHBondContact O-N 3.22Å; R571-E574 VanDerWaalsContact O-N 3.1Å
575K82.4Confident89.4Confident89 Ų8954.7 Ų54.739%0.38728%0.277SS..SBendtrans-113.8132.5178.6-70179.3173.4177.30111.1A547 D548 Q550 F573 P577A547-K575 HydrophobicContact CB-CD 4.17Å; A547-K575 HydrophobicContact CB-CG 4.32Å; D548-K575 WeakPolarHBondContact OD1-CD 3.07Å; D548-K575 IonicContact OD1-NZ 2.7Å; D548-K575 PolarHBondContact OD1-NZ 3.13Å; D548-K575 IonicContact OD2-NZ 2.88Å; D548-K575 PolarHBondContact OD2-NZ 3Å; Q550-K575 PolarHBondContact NE2-O 3.37Å; F573-K575 VanDerWaalsContact C-N 3.32Å; F573-K575 PolarHBondContact O-N 3.05Å; K575-P577 VanDerWaalsContact C-CD 3.41Å; K575-P577 VanDerWaalsContact O-N 3.14Å
576R81Confident89.2Confident138 Ų13857.6 Ų57.652%0.52130%0.301SS..  trans42.645.9173.6-56.5-178.2-61.1120.51.7115.8A578 Q579 F580R576-A578 VanDerWaalsContact C-N 3.25Å; R576-A578 PolarHBondContact O-N 2.9Å; R576-A578 VanDerWaalsContact O-N 3.13Å; R576-Q579 PolarHBondContact O-N 2.91Å; R576-F580 PolarHBondContact O-N 3.23Å; R576-F580 VanDerWaalsContact O-N 3.12Å
577P83.6Confident88.9Confident49 Ų4956.6 Ų56.632%0.31830%0.295SS..Hα-helixtrans-59.5-32.1-172.423.9-34.8000114.1F573 K575 Q579 L581F573-P577 HydrophobicContact CB-CB 4.24Å; K575-P577 VanDerWaalsContact C-CD 3.41Å; K575-P577 VanDerWaalsContact O-N 3.14Å; P577-Q579 VanDerWaalsContact C-N 3.26Å; P577-Q579 PolarHBondContact O-N 3.11Å; P577-L581 VanDerWaalsContact O-CB 3.29Å; P577-L581 WeakPolarHBondContact O-CB 3.47Å; P577-L581 PolarHBondContact O-N 3.06Å
578A83.3Confident88.6Confident89 Ų8958.6 Ų58.674%0.73631%0.305SS*.Hα-helixtrans-66.8-22.1178.800000114.3R576 P582R576-A578 VanDerWaalsContact C-N 3.25Å; R576-A578 PolarHBondContact O-N 2.9Å; R576-A578 VanDerWaalsContact O-N 3.13Å; A578-P582 WeakPolarHBondContact O-CD 3.34Å; A578-P582 WeakPolarHBondContact O-CG 3.44Å
579Q85.7Confident88.2Confident105 Ų10566.2 Ų66.249%0.49134%0.336SS..Hα-helixtrans-94.4-47.5175.2-66.7173.5-10.900110.6R576 P577 P582 E583R576-Q579 PolarHBondContact O-N 2.91Å; P577-Q579 VanDerWaalsContact C-N 3.26Å; P577-Q579 PolarHBondContact O-N 3.11Å; Q579-P582 WeakPolarHBondContact O-CD 3.46Å; Q579-E583 WeakPolarHBondContact O-CG 3.43Å; Q579-E583 PolarHBondContact O-N 2.99Å
580F89.6Confident87.8Confident0 Ų064.3 Ų64.30%035%0.347CS..Hα-helixtrans-67.9-37.3-174.5177.9-115.2000113.8Q550 V553 L554 L572 F573 R576 E583 M584Q550-F580 HydrophobicContact CB-CD2 3.7Å; Q550-F580 HydrophobicContact CB-CE2 3.7Å; Q550-F580 HydrophobicContact CB-CG 4.47Å; Q550-F580 HydrophobicContact CB-CZ 4.49Å; Q550-F580 HydrophobicContact CG-CD1 4.49Å; Q550-F580 HydrophobicContact CG-CD2 3.81Å; Q550-F580 HydrophobicContact CG-CE2 3.9Å; Q550-F580 HydrophobicContact CG-CG 4.11Å; Q550-F580 HydrophobicContact CG-CZ 4.31Å; V553-F580 HydrophobicContact CB-CZ 4.27Å; V553-F580 HydrophobicContact CG1-CZ 3.9Å; L554-F580 HydrophobicContact CD1-CE2 4.49Å; L554-F580 HydrophobicContact CD2-CE2 4.14Å; L554-F580 HydrophobicContact CG-CD2 4.49Å; L554-F580 HydrophobicContact CG-CE2 3.99Å; L572-F580 HydrophobicContact CB-CE1 4.32Å; F573-F580 AromaticContact CD1-CD1 3.93Å; F573-F580 HydrophobicContact CD1-CD1 3.93Å; F573-F580 HydrophobicContact CD1-CE1 4.2Å; F573-F580 AromaticContact CE1-CD1 3.93Å; F573-F580 HydrophobicContact CE1-CD1 3.93Å; F573-F580 AromaticContact CE1-CE1 3.9Å; F573-F580 HydrophobicContact CE1-CE1 3.9Å; R576-F580 PolarHBondContact O-N 3.23Å; R576-F580 VanDerWaalsContact O-N 3.12Å; F580-E583 PolarHBondContact O-N 3.15Å; F580-M584 HydrophobicContact CE1-SD 4.18Å; F580-M584 HydrophobicContact CZ-SD 4.39Å; F580-M584 WeakPolarHBondContact O-CB 3.27Å; F580-M584 PolarHBondContact O-N 3.48Å
581L90.3Very high87.5Confident64 Ų6465.3 Ų65.334%0.33535%0.353SS..Hα-helixtrans-66.1-44.7-177.3-174.7150.9000113F573 P577 E583 M584 V585 L604F573-L581 HydrophobicContact CE1-CD1 4.47Å; P577-L581 VanDerWaalsContact O-CB 3.29Å; P577-L581 WeakPolarHBondContact O-CB 3.47Å; P577-L581 PolarHBondContact O-N 3.06Å; L581-E583 PolarHBondContact O-N 3.2Å; L581-M584 PolarHBondContact O-N 3.47Å; L581-V585 HydrophobicContact CD2-CG2 4.26Å; L581-V585 WeakPolarHBondContact O-CG2 3.25Å; L581-V585 PolarHBondContact O-N 2.95Å; L581-L604 HydrophobicContact CD1-CD2 3.57Å
582P90.3Very high87.2Confident75 Ų7565.9 Ų65.949%0.48737%0.373SS..Hα-helixtrans-56-44.1169.2-28.835.4000114A578 Q579 V585 A586A578-P582 WeakPolarHBondContact O-CD 3.34Å; A578-P582 WeakPolarHBondContact O-CG 3.44Å; Q579-P582 WeakPolarHBondContact O-CD 3.46Å; P582-V585 PolarHBondContact O-N 2.78Å; P582-A586 WeakPolarHBondContact O-CB 3.49Å; P582-A586 PolarHBondContact O-N 3.35Å
583E92.4Very high87.2Confident89 Ų8968.4 Ų68.442%0.41639%0.389SS..Hα-helixtrans-63.1-42.8177.8-69.2169.4-176.900111.7L554 Q579 F580 L581 A586 A587L554-E583 HydrophobicContact CD1-CB 3.97Å; L554-E583 HydrophobicContact CD2-CB 4.02Å; Q579-E583 WeakPolarHBondContact O-CG 3.43Å; Q579-E583 PolarHBondContact O-N 2.99Å; F580-E583 PolarHBondContact O-N 3.15Å; L581-E583 PolarHBondContact O-N 3.2Å; E583-A586 PolarHBondContact O-N 3.2Å; E583-A587 WeakPolarHBondContact O-CB 3.23Å; E583-A587 PolarHBondContact O-N 3.09Å
584M91.3Very high87.3Confident8 Ų868.6 Ų68.64%0.03939%0.39CS..Hα-helixtrans-63.1-43.6176.8-166.1-171.573.600111.5L554 L557 F573 F580 L581 A587 M588 L597 L599L554-M584 HydrophobicContact CD2-CB 4.29Å; L557-M584 HydrophobicContact CD1-CG 3.46Å; L557-M584 VanDerWaalsContact CD1-CG 3.46Å; L557-M584 HydrophobicContact CD1-SD 4.49Å; F573-M584 HydrophobicContact CE1-CE 4.21Å; F573-M584 HydrophobicContact CE1-SD 4.14Å; F573-M584 HydrophobicContact CZ-CE 3.96Å; F573-M584 HydrophobicContact CZ-SD 4.09Å; F580-M584 HydrophobicContact CE1-SD 4.18Å; F580-M584 HydrophobicContact CZ-SD 4.39Å; F580-M584 WeakPolarHBondContact O-CB 3.27Å; F580-M584 PolarHBondContact O-N 3.48Å; L581-M584 PolarHBondContact O-N 3.47Å; M584-A587 PolarHBondContact O-N 2.94Å; M584-M588 HydrophobicContact CE-SD 4.36Å; M584-M588 VanDerWaalsContact O-CG 3.25Å; M584-M588 WeakPolarHBondContact O-CG 3.47Å; M584-M588 PolarHBondContact O-N 3.18Å; M584-L597 HydrophobicContact CE-CD2 4.5Å; M584-L599 HydrophobicContact CE-CD1 4.06Å
585V89.6Confident87.4Confident54 Ų5469.6 Ų69.633%0.32739%0.393SS..Hα-helixtrans-65.8-37.3175.51710000111.6L581 P582 K589L581-V585 HydrophobicContact CD2-CG2 4.26Å; L581-V585 WeakPolarHBondContact O-CG2 3.25Å; L581-V585 PolarHBondContact O-N 2.95Å; P582-V585 PolarHBondContact O-N 2.78Å; V585-K589 HydrophobicContact CG1-CD 4.21Å; V585-K589 WeakPolarHBondContact O-CB 3.23Å; V585-K589 VanDerWaalsContact O-CG 3.32Å; V585-K589 WeakPolarHBondContact O-CG 3.19Å; V585-K589 PolarHBondContact O-N 2.86Å
586A90.9Very high87.7Confident62 Ų6266 Ų6651%0.51238%0.382SS..Hα-helixtrans-66.2-44.5174.900000111.8P582 E583 M588 K589 G590P582-A586 WeakPolarHBondContact O-CB 3.49Å; P582-A586 PolarHBondContact O-N 3.35Å; E583-A586 PolarHBondContact O-N 3.2Å; A586-M588 PolarHBondContact O-N 3.16Å; A586-K589 PolarHBondContact O-N 2.99Å; A586-G590 PolarHBondContact O-N 3.19Å; A586-G590 VanDerWaalsContact O-N 3.09Å
587A90.3Very high88.2Confident5 Ų560.1 Ų60.14%0.04136%0.36CS..Hα-helixtrans-58.2-46.8173.900000112L554 L557 Q558 E583 M584 G590 N591L554-A587 HydrophobicContact CD2-CB 4.05Å; L557-A587 HydrophobicContact CB-CB 4.04Å; Q558-A587 HydrophobicContact CG-CB 3.71Å; E583-A587 WeakPolarHBondContact O-CB 3.23Å; E583-A587 PolarHBondContact O-N 3.09Å; M584-A587 PolarHBondContact O-N 2.94Å; A587-G590 PolarHBondContact O-N 3.2Å; A587-N591 PolarHBondContact O-N 3.45Å
588M88.2Confident88.6Confident41 Ų4164.6 Ų64.620%0.20237%0.371CS..Hα-helixtrans-60.5-44.9176-71.8171.670.400112.5L557 M584 A586 G590 N591 L594 L597L557-M588 HydrophobicContact CD1-CG 4.5Å; L557-M588 HydrophobicContact CD2-CG 4.2Å; M584-M588 HydrophobicContact CE-SD 4.36Å; M584-M588 VanDerWaalsContact O-CG 3.25Å; M584-M588 WeakPolarHBondContact O-CG 3.47Å; M584-M588 PolarHBondContact O-N 3.18Å; A586-M588 PolarHBondContact O-N 3.16Å; M588-G590 PolarHBondContact O-N 2.99Å; M588-N591 PolarHBondContact O-N 2.97Å; M588-L594 HydrophobicContact CG-CD2 4.42Å; M588-L597 HydrophobicContact CE-CB 4.01Å; M588-L597 HydrophobicContact CE-CD2 3.51Å; M588-L597 HydrophobicContact CE-CG 4.41Å; M588-L597 HydrophobicContact CG-CD2 4.36Å; M588-L597 HydrophobicContact SD-CD2 3.39Å; M588-L597 WeakPolarHBondContact SD-CD2 3.27Å
589K86.4Confident89Confident176 Ų17662.5 Ų62.577%0.76535%0.347SS*.Hα-helixtrans-63.6-25.5177.3-75.4175.3178.5-177.80113.2V585 A586V585-K589 HydrophobicContact CG1-CD 4.21Å; V585-K589 WeakPolarHBondContact O-CB 3.23Å; V585-K589 VanDerWaalsContact O-CG 3.32Å; V585-K589 WeakPolarHBondContact O-CG 3.19Å; V585-K589 PolarHBondContact O-N 2.86Å; A586-K589 PolarHBondContact O-N 2.99Å
590G84.4Confident89.3Confident68 Ų6860.4 Ų60.470%0.70134%0.342SS*.Hα-helixtrans-79-18172.800000114.3A586 A587 M588A586-G590 PolarHBondContact O-N 3.19Å; A586-G590 VanDerWaalsContact O-N 3.09Å; A587-G590 PolarHBondContact O-N 3.2Å; M588-G590 PolarHBondContact O-N 2.99Å
591N85.2Confident89.1Confident21 Ų2162.4 Ų62.411%0.11236%0.363CS..  trans-95.6110.4-178.7-169.5-34.7000111.3L557 L560 A587 M588 T593 L594L557-N591 WeakPolarHBondContact O-CB 3.49Å; L557-N591 PolarHBondContact O-ND2 3.13Å; L560-N591 PolarHBondContact O-ND2 2.82Å; A587-N591 PolarHBondContact O-N 3.45Å; M588-N591 PolarHBondContact O-N 2.97Å; N591-T593 WeakPolarHBondContact OD1-CA 3.44Å; N591-T593 PolarHBondContact OD1-N 3.17Å; N591-T593 PolarHBondContact OD1-OG1 2.93Å; N591-L594 HydrophobicContact CB-CB 4.4Å; N591-L594 PolarHBondContact OD1-N 3.23Å
592S84.6Confident88.9Confident122 Ų12260.3 Ų60.385%0.85335%0.352SS*.SBendtrans-86.2-6.8178.656.30000114.9
593T87.9Confident88.4Confident53 Ų5367.2 Ų67.233%0.32537%0.369SS..SBendtrans-95.8-25.8-178.663.10000113.5L562 N591 K595L562-T593 CarbonylContact O-C 3.44Å; L562-T593 PolarHBondContact O-OG1 2.78Å; N591-T593 WeakPolarHBondContact OD1-CA 3.44Å; N591-T593 PolarHBondContact OD1-N 3.17Å; N591-T593 PolarHBondContact OD1-OG1 2.93Å; T593-K595 PolarHBondContact O-N 2.82Å
594L89.5Confident87.3Confident12 Ų1268 Ų686%0.06338%0.375CS..  trans-68.5125.4179.5-172.462.4000110.3L557 L562 I565 M588 N591 L620L557-L594 HydrophobicContact CD2-CD2 4.1Å; L562-L594 VanDerWaalsContact O-CA 3.29Å; L562-L594 WeakPolarHBondContact O-CA 3.36Å; L562-L594 PolarHBondContact O-N 3.31Å; I565-L594 HydrophobicContact CB-CD1 4.35Å; I565-L594 HydrophobicContact CD1-CD1 3.61Å; I565-L594 HydrophobicContact CD1-CD2 4.23Å; I565-L594 HydrophobicContact CG1-CD1 3.79Å; M588-L594 HydrophobicContact CG-CD2 4.42Å; N591-L594 HydrophobicContact CB-CB 4.4Å; N591-L594 PolarHBondContact OD1-N 3.23Å; L594-L620 WeakPolarHBondContact O-CD1 3.13Å
595K89.5Confident85.5Confident141 Ų14170.2 Ų70.261%0.61340%0.4SS*.  trans-112.6-17179.7-64.6176.7-177.4165.20113.6Q563 T593Q563-K595 HydrophobicContact CB-CD 4.5Å; Q563-K595 WeakPolarHBondContact O-CA 3.41Å; Q563-K595 WeakPolarHBondContact O-CB 3.38Å; Q563-K595 PolarHBondContact O-N 2.89Å; T593-K595 PolarHBondContact O-N 2.82Å
596G87.9Confident83.3Confident15 Ų1572 Ų7216%0.15543%0.429CS..EExtended strand (participates in β ladder)trans-157.7129.3177.400000112.9Q563 E564 I565Q563-G596 PolarHBondContact O-N 3.12Å; Q563-G596 VanDerWaalsContact O-N 3.13Å; E564-G596 WeakPolarHBondContact CA-O 3.02Å; I565-G596 PolarHBondContact N-O 3.05Å
597L91.3Very high80.7Confident14 Ų1472.1 Ų72.17%0.07344%0.436CS..EExtended strand (participates in β ladder)trans-117.3121.3169.4-179.566.4000109.4I565 F567 M584 M588 L599I565-L597 HydrophobicContact CB-CD1 3.83Å; I565-L597 HydrophobicContact CG2-CD1 3.93Å; I565-L597 WeakPolarHBondContact O-CA 3.38Å; F567-L597 HydrophobicContact CD2-CD1 3.87Å; F567-L597 HydrophobicContact CE2-CD1 3.89Å; M584-L597 HydrophobicContact CE-CD2 4.5Å; M588-L597 HydrophobicContact CE-CB 4.01Å; M588-L597 HydrophobicContact CE-CD2 3.51Å; M588-L597 HydrophobicContact CE-CG 4.41Å; M588-L597 HydrophobicContact CG-CD2 4.36Å; M588-L597 HydrophobicContact SD-CD2 3.39Å; M588-L597 WeakPolarHBondContact SD-CD2 3.27Å; L597-L599 HydrophobicContact CD1-CD2 4.04Å; L597-L599 HydrophobicContact CD2-CD1 4.15Å; L597-L599 HydrophobicContact CD2-CD2 4.17Å; L597-L599 HydrophobicContact CD2-CG 4.23Å; L597-L599 HydrophobicContact CG-CD2 4Å; L597-L599 HydrophobicContact CG-CG 4.08Å
598R92.5Very high78.2Confident143 Ų14380.7 Ų80.754%0.5448%0.476SS..EExtended strand (participates in β ladder)trans-111.8125.6178-50.4-175.9-161.7-160.96.8109.4E564 I565 T566 F567 P600E564-R598 IonicContact OE1-NH2 3.79Å; I565-R598 PolarHBondContact O-N 3.21Å; T566-R598 CarbonylContact C-O 3.39Å; T566-R598 WeakPolarHBondContact CA-O 3.49Å; T566-R598 HydrophobicContact CG2-CB 4.1Å; F567-R598 PolarHBondContact N-O 3.21Å; R598-P600 WeakPolarHBondContact O-CD 3.46Å
599L92.2Very high75.8Confident45 Ų4585.4 Ų85.424%0.23651%0.507CS..  trans-119.338-177.6-58.1177.2000114.1F567 L572 F573 M584 L597 G601 N602F567-L599 HydrophobicContact CB-CD2 3.97Å; F567-L599 HydrophobicContact CD2-CD2 3.69Å; F567-L599 HydrophobicContact CG-CD2 4.28Å; F567-L599 CarbonylContact O-C 3.37Å; F567-L599 WeakPolarHBondContact O-CA 3.5Å; L572-L599 HydrophobicContact CD1-CD2 3.97Å; F573-L599 HydrophobicContact CE2-CD1 4.29Å; F573-L599 HydrophobicContact CZ-CD1 4.08Å; M584-L599 HydrophobicContact CE-CD1 4.06Å; L597-L599 HydrophobicContact CD1-CD2 4.04Å; L597-L599 HydrophobicContact CD2-CD1 4.15Å; L597-L599 HydrophobicContact CD2-CD2 4.17Å; L597-L599 HydrophobicContact CD2-CG 4.23Å; L597-L599 HydrophobicContact CG-CD2 4Å; L597-L599 HydrophobicContact CG-CG 4.08Å; L599-G601 PolarHBondContact O-N 2.71Å; L599-N602 VanDerWaalsContact C-ND2 3.27Å; L599-N602 PolarHBondContact O-N 3.4Å; L599-N602 PolarHBondContact O-ND2 3.37Å
600P91.1Very high73.3Confident61 Ų6185.5 Ų85.540%0.39652%0.515SS..THydrogen-bonded Turntrans-60.2140.3-172.628.1-35.1000112.1F567 S568 F569 R598 N602F567-P600 WeakPolarHBondContact O-CD 3.21Å; S568-P600 WeakPolarHBondContact CA-O 3.48Å; S568-P600 WeakPolarHBondContact OG-CG 3.28Å; F569-P600 PolarHBondContact N-O 2.57Å; R598-P600 WeakPolarHBondContact O-CD 3.46Å; P600-N602 PolarHBondContact O-N 2.94Å; P600-N602 PolarHBondContact O-ND2 3.38Å
601G84.8Confident70.7Confident42 Ų4285.6 Ų85.643%0.43352%0.516SS..THydrogen-bonded Turntrans75.7-6.9176.100000116.5L599 R603L599-G601 PolarHBondContact O-N 2.71Å; G601-R603 PolarHBondContact O-N 2.98Å
602N86.4Confident68.2Low20 Ų2096.1 Ų96.111%0.10755%0.554CS.*  trans-77.1115.8175.4-61-83.5000110.3F567 C570 R571 F573 L599 P600 L604F567-N602 PolarHBondContact O-ND2 3.45Å; C570-N602 PolarHBondContact N-OD1 3.45Å; C570-N602 VanDerWaalsContact N-OD1 3.1Å; R571-N602 PolarHBondContact N-OD1 3.31Å; F573-N602 HydrophobicContact CD2-CB 3.85Å; F573-N602 HydrophobicContact CE2-CB 3.91Å; L599-N602 VanDerWaalsContact C-ND2 3.27Å; L599-N602 PolarHBondContact O-N 3.4Å; L599-N602 PolarHBondContact O-ND2 3.37Å; P600-N602 PolarHBondContact O-N 2.94Å; P600-N602 PolarHBondContact O-ND2 3.38Å; N602-L604 PolarHBondContact O-N 3.13Å
603R80.1Confident65.6Low220 Ų22097.2 Ų97.283%0.8355%0.545SS*.  trans-79.6106.8-179.8-62.9-179.7-176.4-178.61.5110.4G601 G605G601-R603 PolarHBondContact O-N 2.98Å; R603-G605 PolarHBondContact O-N 3.06Å
604L69.4Low62.8Low105 Ų105106.1 Ų106.155%0.5557%0.573SS.*  trans-67.6112.7160.2-67.7166.4000107.5F573 L581 N602 G606F573-L604 HydrophobicContact CB-CD2 4.11Å; F573-L604 HydrophobicContact CD1-CD2 3.85Å; F573-L604 HydrophobicContact CD2-CD2 3.46Å; F573-L604 VanDerWaalsContact CD2-CD2 3.46Å; F573-L604 HydrophobicContact CD2-CG 3.97Å; F573-L604 HydrophobicContact CE1-CD2 4.14Å; F573-L604 HydrophobicContact CE2-CD2 3.76Å; F573-L604 HydrophobicContact CE2-CG 4.27Å; F573-L604 HydrophobicContact CG-CD2 3.52Å; F573-L604 HydrophobicContact CG-CG 4.43Å; F573-L604 HydrophobicContact CZ-CD2 4.1Å; L581-L604 HydrophobicContact CD1-CD2 3.57Å; N602-L604 PolarHBondContact O-N 3.13Å; L604-G606 PolarHBondContact O-N 3.2Å
605G54.2Low60.2Low55 Ų55109.4 Ų109.457%0.56761%0.61SS**  trans-55.5136.9-175.800000112.3R603 G607R603-G605 PolarHBondContact O-N 3.06Å; G605-G607 VanDerWaalsContact C-N 3.29Å; G605-G607 PolarHBondContact O-N 3.14Å
606G43.4Very low57.3Low91 Ų91109.6 Ų109.694%0.93861%0.611SS**  trans-70.575.4-175.900000113.8L604L604-G606 PolarHBondContact O-N 3.2Å
607G35.6Very low54.6Low64 Ų64117.9 Ų117.966%0.6665%0.645SS**  trans-84.5132.3159.500000110G605G605-G607 VanDerWaalsContact C-N 3.29Å; G605-G607 PolarHBondContact O-N 3.14Å
608Q37.9Very low52Low186 Ų186123.6 Ų123.687%0.86968%0.675SS**SBendtrans-61.5151.8174.6-60.5177.813.400110.4
609T37.9Very low49Very low139 Ų139120 Ų12085%0.85368%0.683SS**  trans7868179.969.50000118.1
610L33.5Very low46.2Very low179 Ų179126.2 Ų126.294%0.93772%0.716SS**SBend-147.8126.7129.1-109.7156.2000109.3R612L610-R612 PolarHBondContact O-N 3.14Å
611G29.3Very low43.9Very low70 Ų70129.5 Ų129.572%0.72273%0.732SS**  trans-76.3114.3-164.600000114.1E613G611-E613 PolarHBondContact O-N 3.46Å
612R32.9Very low41.8Very low241 Ų241134.1 Ų134.191%0.90975%0.747SS**  trans38.466.1136-159.4-173.3-170.4172.63.4117.2L610L610-R612 PolarHBondContact O-N 3.14Å
613E29.5Very low39.3Very low145 Ų145140.4 Ų140.468%0.67878%0.783SS**  trans-116.5111.5143.8-74.6-151.9136.700109.3G611 K616G611-E613 PolarHBondContact O-N 3.46Å; E613-K616 IonicContact OE1-NZ 2.69Å; E613-K616 PolarHBondContact OE1-NZ 3.41Å; E613-K616 WeakPolarHBondContact OE2-CE 3.48Å; E613-K616 IonicContact OE2-NZ 3.73Å; E613-K616 PolarHBondContact OE2-NZ 2.67Å
614R30.8Very low36.9Very low241 Ų241135.8 Ų135.891%0.90978%0.78SS**  trans-82.9134.9168.6-72.1-177.3178.2-177.3-1108.2
615G33.9Very low34.9Very low81 Ų81137.7 Ų137.784%0.83579%0.794SS**  trans61.666.3157.100000115.2
616K28.1Very low33.6Very low144 Ų144143.2 Ų143.263%0.62681%0.81SS**  trans-109.7131.9147.7-72177.2-173.4158.80107.7E613 L618E613-K616 IonicContact OE1-NZ 2.69Å; E613-K616 PolarHBondContact OE1-NZ 3.41Å; E613-K616 WeakPolarHBondContact OE2-CE 3.48Å; E613-K616 IonicContact OE2-NZ 3.73Å; E613-K616 PolarHBondContact OE2-NZ 2.67Å; K616-L618 PolarHBondContact O-N 3.39Å
617E31.8Very low32.9Very low189 Ų189146.9 Ų146.988%0.88380%0.8SS**  trans-54.2134.8154.2-65.9175.4123.800107.1G619E617-G619 PolarHBondContact O-N 2.92Å
618L36.3Very low32.7Very low134 Ų134153.3 Ų153.370%0.70281%0.811SS**  trans-75.269.5166.6-78.1163.8000108K616K616-L618 PolarHBondContact O-N 3.39Å
619G30.1Very low32.3Very low68 Ų68150.6 Ų150.670%0.70181%0.806SS**BIsolated β-bridgetrans-65.7132.2162.400000108.8E617E617-G619 PolarHBondContact O-N 2.92Å
620L33.2Very low31.8Very low176 Ų176151.6 Ų151.692%0.92180%0.802SS**  trans-80.70170.3-79.2159.8000110.6L594L594-L620 WeakPolarHBondContact O-CD1 3.13Å

Retrieved 620 of 620 residues in 177.5 ms (Link to these results)

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