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V(D)J recombination-activating protein 2

Core component of the RAG complex, a multiprotein complex that mediates the DNA cleavage phase during V(D)J recombination. V(D)J recombination assembles a diverse repertoire of immunoglobulin and T-cell receptor genes in developing B and T lymphocytes through rearrangement of different V (variable), in some cases D (diversity), and J (joining) gene segments. DNA cleavage by the RAG complex occurs in 2 steps: a first nick is introduced in the top strand immediately upstream of the heptamer, generating a 3'-hydroxyl group that can attack the phosphodiester bond on the opposite strand in a direct transesterification reaction, thereby creating 4 DNA ends: 2 hairpin coding ends and 2 blunt, 5'-phosphorylated ends. In the RAG complex, rag2 is not the catalytic component but is required for all known catalytic activities mediated by RAG1. It probably acts as a sensor of chromatin state that recruits the RAG complex to H3K4me3.

AlphaFold DB , UniProt , Accession A0A060Y8F6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rag2, Length 533 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
1M85.1Confident90.6Very high77 Ų7754.8 Ų54.838%0.37931%0.314SS..  0148.30-58.2-179.6-173.900108.2R303 E304 P306 C350 F351M1-R303 HydrophobicContact CE-CB 4.26Å; M1-R303 HydrophobicContact CE-CG 3.4Å; M1-R303 VanDerWaalsContact CE-CG 3.4Å; M1-E304 WeakPolarHBondContact CE-O 2.88Å; M1-P306 HydrophobicContact CB-CB 4.47Å; M1-C350 CarbonylContact C-O 3.57Å; M1-C350 VanDerWaalsContact CA-O 3.31Å; M1-C350 WeakPolarHBondContact CA-O 3.38Å; M1-F351 HydrophobicContact CB-CD1 4.39Å; M1-F351 HydrophobicContact CE-CD1 3.69Å; M1-F351 HydrophobicContact CE-CE1 3.9Å; M1-F351 HydrophobicContact CG-CD1 3.67Å; M1-F351 HydrophobicContact CG-CE1 4.18Å; M1-F351 HydrophobicContact SD-CD1 3.38Å; M1-F351 WeakPolarHBondContact SD-CD1 2.92Å; M1-F351 HydrophobicContact SD-CE1 3.34Å; M1-F351 WeakPolarHBondContact SD-CE1 3.42Å
2S90.3Very high89.3Confident50 Ų5051.9 Ų51.935%0.3531%0.305SS..EExtended strand (participates in β ladder)trans-125.6146.3175.758.20000111.2V349 C350S2-V349 CarbonylContact O-C 3.57Å; S2-V349 WeakPolarHBondContact O-CA 3.48Å; S2-C350 PolarHBondContact N-O 3.31Å; S2-C350 PolarHBondContact O-N 3.13Å; S2-C350 WeakPolarHBondContact OG-CB 3.34Å
3L94.6Very high88.7Confident38 Ų3854.1 Ų54.120%0.19933%0.325CS..EExtended strand (participates in β ladder)trans-117.5122.9170.4177.472.3000106.9P306 Q307 W308 T309 I312 Y347 Q348 V349L3-P306 HydrophobicContact CB-CB 4.33Å; L3-Q307 WeakPolarHBondContact CD2-O 3.42Å; L3-W308 HydrophobicContact CD1-CE3 4.39Å; L3-W308 HydrophobicContact CD1-CZ3 4.13Å; L3-W308 HydrophobicContact CD2-CE3 4.16Å; L3-T309 HydrophobicContact CD2-CG2 3.94Å; L3-I312 HydrophobicContact CD1-CD1 4.07Å; L3-I312 HydrophobicContact CD2-CD1 3.89Å; L3-Y347 HydrophobicContact CD1-CD1 4.35Å; L3-Y347 HydrophobicContact CD1-CG 4.22Å; L3-Y347 HydrophobicContact CG-CD1 4.44Å; L3-Q348 WeakPolarHBondContact CA-O 3.37Å; L3-V349 HydrophobicContact CD1-CG2 3.64Å
4Q94.8Very high88.8Confident84 Ų8452 Ų5239%0.39331%0.311SS..EExtended strand (participates in β ladder)trans-122.6122.1-180-179.6175.64.500109.6Y347 Q348Q4-Y347 CarbonylContact O-C 3.49Å; Q4-Y347 VanDerWaalsContact O-CA 3.28Å; Q4-Y347 WeakPolarHBondContact O-CA 3.28Å; Q4-Q348 PolarHBondContact N-O 3Å; Q4-Q348 PolarHBondContact O-N 3.37Å
5P95.2Very high88.9Confident86 Ų8648.9 Ų48.956%0.55829%0.292SS*.EExtended strand (participates in β ladder)trans-66.2146.617129.1-33.9000110.5Y347P5-Y347 HydrophobicContact CB-CD1 3.92Å; P5-Y347 HydrophobicContact CB-CE1 4.02Å
6L95.3Very high89.2Confident13 Ų1346.6 Ų46.67%0.06828%0.278CS..EExtended strand (participates in β ladder)trans-120.7140.7-179.5-60.8174.2000111.1L50 G53 L55 L329 F346 Q348L6-L50 HydrophobicContact CD1-CD2 3.62Å; L6-L50 HydrophobicContact CD2-CD2 4.19Å; L6-G53 CarbonylContact C-O 3.56Å; L6-G53 WeakPolarHBondContact CA-O 3.5Å; L6-L55 HydrophobicContact CB-CB 4.41Å; L6-L55 HydrophobicContact CD1-CB 4.46Å; L6-L329 HydrophobicContact CD1-CD1 3.45Å; L6-L329 VanDerWaalsContact CD1-CD1 3.45Å; L6-F346 HydrophobicContact CB-CB 4.1Å; L6-F346 HydrophobicContact CD1-CB 4.41Å; L6-F346 PolarHBondContact N-O 3.11Å; L6-Q348 HydrophobicContact CD1-CB 4.06Å; L6-Q348 HydrophobicContact CD2-CB 4.26Å; L6-Q348 HydrophobicContact CG-CB 4.26Å
7T92.6Very high89.5Confident84 Ų8448.1 Ų48.152%0.51529%0.289SS..EExtended strand (participates in β ladder)trans-94.2119.9171.7-54.20000110V9 G53 E54 L55T7-V9 PolarHBondContact O-N 3.17Å; T7-G53 PolarHBondContact N-O 3.11Å; T7-E54 WeakPolarHBondContact O-CA 3.32Å; T7-L55 PolarHBondContact O-N 3.08Å
8A91.1Very high89.8Confident10 Ų1046.4 Ų46.48%0.08328%0.283CS..EExtended strand (participates in β ladder)trans-80110.5178.300000110.6F346A8-F346 HydrophobicContact CB-CD2 4.05Å; A8-F346 HydrophobicContact CB-CE2 4.26Å
9V89.4Confident90.2Very high70 Ų7045 Ų4542%0.42428%0.275SS..SBendtrans-86.8-43.1-169.8-178.90000113.3T7 E54 L55 K56T7-V9 PolarHBondContact O-N 3.17Å; V9-E54 HydrophobicContact CG2-CB 3.86Å; V9-E54 HydrophobicContact CG2-CG 4.01Å; V9-L55 PolarHBondContact N-O 3.21Å; V9-K56 HydrophobicContact CB-CD 4.49Å; V9-K56 HydrophobicContact CB-CG 3.8Å; V9-K56 HydrophobicContact CG1-CG 4.35Å; V9-K56 HydrophobicContact CG2-CG 4.05Å
10N86.6Confident90.6Very high90 Ų9043.4 Ų43.448%0.48127%0.266SS..SBendtrans-136.616.9-175.970.9-22.5000113.3L57N10-L57 PolarHBondContact ND2-O 3.1Å; N10-L57 PolarHBondContact OD1-N 2.86Å
11C82.1Confident90.9Very high1 Ų142.5 Ų42.51%0.00726%0.259CS..  trans-130.52.9-164.959.20000115.5S13 L14 L15 L57C11-S13 PolarHBondContact O-N 2.97Å; C11-L14 PolarHBondContact O-N 3.4Å; C11-L15 HydrophobicContact CB-CD1 4.1Å; C11-L15 PolarHBondContact O-N 2.97Å; C11-L57 HydrophobicContact CB-CB 4.09Å; C11-L57 HydrophobicContact CB-CD1 3.32Å; C11-L57 HydrophobicContact CB-CG 3.43Å; C11-L57 VanDerWaalsContact CB-CG 3.43Å
12G74.7Confident91.5Very high20 Ų2038.8 Ų38.821%0.20624%0.241CC..THydrogen-bonded Turntrans-56.7-27.1-173.800000114.9
13S81.8Confident91.6Very high80 Ų8039 Ų3956%0.55924%0.236SC*.THydrogen-bonded Turntrans-98.6-8.5179.260.70000114.9C11 K34C11-S13 PolarHBondContact O-N 2.97Å; S13-K34 WeakPolarHBondContact O-CB 3.22Å
14L89.1Confident91.5Very high25 Ų2537.2 Ų37.213%0.13123%0.227CC..THydrogen-bonded Turntrans-95.1-35-173.7-66.6174.9000113C11 Q33 K34 F46 L57C11-L14 PolarHBondContact O-N 3.4Å; L14-Q33 HydrophobicContact CD2-CB 4.45Å; L14-Q33 CarbonylContact O-C 3.48Å; L14-Q33 WeakPolarHBondContact O-CA 3.15Å; L14-K34 PolarHBondContact O-N 3.18Å; L14-F46 HydrophobicContact CD1-CE1 3.91Å; L14-F46 HydrophobicContact CD1-CE2 4.28Å; L14-F46 HydrophobicContact CD1-CZ 3.74Å; L14-F46 HydrophobicContact CD2-CZ 4.44Å; L14-L57 HydrophobicContact CB-CD1 4.19Å; L14-L57 HydrophobicContact CD1-CD1 4.04Å
15L91.1Very high91Very high5 Ų536.9 Ų36.93%0.02623%0.228CC..  trans-73.9137.5177.8-76.5142.9000110.5C11 L30 L55 F346C11-L15 HydrophobicContact CB-CD1 4.1Å; C11-L15 PolarHBondContact O-N 2.97Å; L15-L30 HydrophobicContact CD2-CD1 3.65Å; L15-L30 HydrophobicContact CD2-CD2 3.8Å; L15-L30 HydrophobicContact CD2-CG 4.39Å; L15-L30 HydrophobicContact CG-CD2 3.98Å; L15-L55 HydrophobicContact CD1-CD2 3.76Å; L15-F346 HydrophobicContact CB-CE1 4.01Å; L15-F346 HydrophobicContact CB-CZ 3.56Å; L15-F346 HydrophobicContact CD1-CE1 3.84Å; L15-F346 HydrophobicContact CD1-CE2 3.95Å; L15-F346 HydrophobicContact CD1-CZ 3.5Å; L15-F346 VanDerWaalsContact CD1-CZ 3.5Å; L15-F346 HydrophobicContact CD2-CE1 4.26Å; L15-F346 HydrophobicContact CG-CE1 4.25Å; L15-F346 HydrophobicContact CG-CZ 4.03Å
16Q92.8Very high90.6Very high13 Ų1335.8 Ų35.86%0.06123%0.232CC..  trans-148.4156.5178.462.3179.1-12.600110.1G18 C19 G32 Q33 K34Q16-G18 PolarHBondContact O-N 3.31Å; Q16-C19 PolarHBondContact O-N 3.07Å; Q16-C19 PolarHBondContact O-SG 3.1Å; Q16-G32 PolarHBondContact NE2-O 3.07Å; Q16-Q33 PolarHBondContact NE2-O 2.85Å; Q16-K34 HydrophobicContact CB-CB 4.2Å; Q16-K34 VanDerWaalsContact CD-CA 3.44Å; Q16-K34 HydrophobicContact CG-CB 4.31Å
17P95.1Very high90.5Very high72 Ų7238 Ų3847%0.46824%0.244SC..THydrogen-bonded Turntrans-51.3137.4167.3-25.333.1000112F319P17-F319 HydrophobicContact CB-CB 4.27Å; P17-F319 HydrophobicContact CB-CD1 4.21Å; P17-F319 HydrophobicContact CB-CG 4.13Å; P17-F319 HydrophobicContact CG-CD1 3.68Å; P17-F319 HydrophobicContact CG-CE1 3.9Å; P17-F319 HydrophobicContact CG-CG 4.09Å; P17-F319 HydrophobicContact CG-CZ 4.49Å
18G95.3Very high90.6Very high18 Ų1834.9 Ų34.919%0.18622%0.224CC..THydrogen-bonded Turntrans85.33.8-179.400000115.7Q16 R73 C74Q16-G18 PolarHBondContact O-N 3.31Å; G18-R73 CarbonylContact O-C 3.42Å; G18-R73 WeakPolarHBondContact O-CA 3.47Å; G18-C74 WeakPolarHBondContact CA-SG 3.44Å; G18-C74 PolarHBondContact O-N 3.48Å
19C96.8Very high90.9Very high19 Ų1934.6 Ų34.613%0.12822%0.221CC..  trans-67.2160.6167.166.10000111.7Q16 L30 F31Q16-C19 PolarHBondContact O-N 3.07Å; Q16-C19 PolarHBondContact O-SG 3.1Å; C19-L30 HydrophobicContact CB-CD1 3.9Å; C19-F31 CarbonylContact C-O 3.6Å; C19-F31 WeakPolarHBondContact CA-O 3.5Å; C19-F31 WeakPolarHBondContact CB-O 3.47Å
20S98.2Very high91.3Very high13 Ų1331.3 Ų31.39%0.09120%0.201CC..EExtended strand (participates in β ladder)trans-115141.2177.5-53.20000111.3F31S20-F31 PolarHBondContact N-O 3.04Å; S20-F31 PolarHBondContact O-N 3.04Å
21L97.8Very high91.9Very high24 Ų2427 Ų2713%0.12618%0.178CC..EExtended strand (participates in β ladder)trans-106.8121.4168.8-66.9174.7000108.7I28 F29 L30 V48 S322 L323 L329L21-I28 HydrophobicContact CB-CG2 4.33Å; L21-I28 HydrophobicContact CD2-CG2 4.16Å; L21-F29 CarbonylContact C-O 3.59Å; L21-F29 WeakPolarHBondContact CA-O 3.46Å; L21-L30 HydrophobicContact CD2-CB 4.29Å; L21-L30 HydrophobicContact CD2-CD1 3.79Å; L21-V48 HydrophobicContact CD2-CG2 3.94Å; L21-S322 WeakPolarHBondContact CB-O 3.13Å; L21-L323 HydrophobicContact CD1-CD2 3.91Å; L21-L323 HydrophobicContact CD1-CG 4.42Å; L21-L329 HydrophobicContact CD1-CB 3.82Å; L21-L329 HydrophobicContact CD1-CD2 4.1Å
22L96.7Very high92.5Very high0 Ų027 Ų270%018%0.177CC..EExtended strand (participates in β ladder)trans-116.1123.5-172.6-49179.5000108.9I28 F29 F31 V77 Y90 I92 L109L22-I28 CarbonylContact O-C 3.59Å; L22-I28 WeakPolarHBondContact O-CA 3.45Å; L22-F29 HydrophobicContact CB-CB 4.35Å; L22-F29 PolarHBondContact N-O 2.79Å; L22-F29 PolarHBondContact O-N 3.12Å; L22-F31 HydrophobicContact CD1-CB 4.09Å; L22-V77 HydrophobicContact CD2-CB 4.28Å; L22-V77 HydrophobicContact CD2-CG1 4.27Å; L22-V77 HydrophobicContact CD2-CG2 4.42Å; L22-Y90 HydrophobicContact CB-CD2 3.88Å; L22-Y90 HydrophobicContact CB-CE2 3.75Å; L22-Y90 HydrophobicContact CB-CG 4.33Å; L22-Y90 HydrophobicContact CD1-CG 4.48Å; L22-Y90 HydrophobicContact CD2-CD1 3.8Å; L22-Y90 HydrophobicContact CD2-CD2 4.43Å; L22-Y90 HydrophobicContact CD2-CE1 3.96Å; L22-Y90 HydrophobicContact CD2-CG 4.05Å; L22-I92 HydrophobicContact CD1-CD1 4.19Å; L22-L109 HydrophobicContact CD1-CD2 3.7Å
23Q93.3Very high93.4Very high53 Ų5326.1 Ų26.125%0.24817%0.168CC..EExtended strand (participates in β ladder)trans-98.1109.7178.6-177.8175.332.900110.7D27 I28 Y90 G324Q23-D27 CarbonylContact C-O 3.55Å; Q23-D27 WeakPolarHBondContact CA-O 3.34Å; Q23-I28 HydrophobicContact CB-CD1 3.55Å; Q23-I28 HydrophobicContact CG-CD1 3.6Å; Q23-Y90 PolarHBondContact N-OH 2.92Å; Q23-Y90 VanDerWaalsContact O-CE2 3.32Å; Q23-Y90 WeakPolarHBondContact O-CE2 3.35Å; Q23-Y90 PolarHBondContact O-OH 2.83Å; Q23-G324 VanDerWaalsContact OE1-CA 3.25Å
24L91.3Very high93.8Very high1 Ų128.1 Ų28.11%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-128.5124.9177.9-69.6173.4000109.9G26 D27 F29 E88 Y90 L122L24-G26 PolarHBondContact O-N 2.63Å; L24-D27 PolarHBondContact N-O 3.31Å; L24-D27 PolarHBondContact O-N 3.34Å; L24-F29 HydrophobicContact CB-CD2 4.14Å; L24-F29 HydrophobicContact CB-CE2 3.83Å; L24-E88 HydrophobicContact CD2-CG 4.13Å; L24-Y90 HydrophobicContact CD1-CD2 4.06Å; L24-Y90 HydrophobicContact CD2-CD2 3.61Å; L24-Y90 HydrophobicContact CD2-CE2 3.72Å; L24-Y90 HydrophobicContact CG-CD2 3.73Å; L24-Y90 HydrophobicContact CG-CE2 3.77Å; L24-L122 HydrophobicContact CD1-CD2 4.37Å
25D85.9Confident93.6Very high78 Ų7828.2 Ų28.242%0.41717%0.174SC..THydrogen-bonded Turntrans5043.9176.4-167.129.7000112.9D27 E88 L111 R114D25-D27 PolarHBondContact O-N 3.06Å; D25-E88 WeakPolarHBondContact CA-OE1 3.38Å; D25-E88 VanDerWaalsContact CB-OE1 3.28Å; D25-E88 WeakPolarHBondContact CB-OE1 3.37Å; D25-E88 PolarHBondContact N-OE1 2.79Å; D25-L111 HydrophobicContact CB-CD2 4Å; D25-R114 VanDerWaalsContact CB-NH2 3.33Å; D25-R114 VanDerWaalsContact CG-NH2 3.27Å; D25-R114 PolarHBondContact O-NH2 2.86Å; D25-R114 IonicContact OD2-CZ 3.64Å; D25-R114 IonicContact OD2-NE 2.92Å; D25-R114 PolarHBondContact OD2-NE 2.63Å; D25-R114 IonicContact OD2-NH2 3.48Å; D25-R114 PolarHBondContact OD2-NH2 3.44Å
26G86.1Confident93.4Very high62 Ų6233.3 Ų33.364%0.63919%0.193SC*.THydrogen-bonded Turntrans76.9-11.3-178.800000115.6L24L24-G26 PolarHBondContact O-N 2.63Å
27D92.4Very high92.9Very high60 Ų6034.1 Ų34.132%0.32120%0.199SC..EExtended strand (participates in β ladder)trans-88.8152.1173.6-68.8-55.1000110.8Q23 L24 D25 F29 R114Q23-D27 CarbonylContact C-O 3.55Å; Q23-D27 WeakPolarHBondContact CA-O 3.34Å; L24-D27 PolarHBondContact N-O 3.31Å; L24-D27 PolarHBondContact O-N 3.34Å; D25-D27 PolarHBondContact O-N 3.06Å; D27-F29 HydrophobicContact CB-CE2 3.66Å; D27-F29 HydrophobicContact CB-CZ 3.73Å; D27-R114 IonicContact OD2-CZ 3.7Å; D27-R114 VanDerWaalsContact OD2-CZ 3.24Å; D27-R114 IonicContact OD2-NH1 3.66Å; D27-R114 PolarHBondContact OD2-NH1 3.3Å; D27-R114 IonicContact OD2-NH2 3.74Å; D27-R114 PolarHBondContact OD2-NH2 2.87Å
28I95.7Very high92.2Very high19 Ų1938.8 Ų38.810%0.09721%0.207CC..EExtended strand (participates in β ladder)trans-109.2134175.5-55-59000109.3L21 L22 Q23 G47 V48 L323L21-I28 HydrophobicContact CB-CG2 4.33Å; L21-I28 HydrophobicContact CD2-CG2 4.16Å; L22-I28 CarbonylContact O-C 3.59Å; L22-I28 WeakPolarHBondContact O-CA 3.45Å; Q23-I28 HydrophobicContact CB-CD1 3.55Å; Q23-I28 HydrophobicContact CG-CD1 3.6Å; I28-G47 CarbonylContact O-C 3.55Å; I28-V48 HydrophobicContact CB-CB 4.12Å; I28-V48 HydrophobicContact CG2-CB 3.99Å; I28-V48 HydrophobicContact CG2-CG2 4.1Å; I28-V48 PolarHBondContact O-N 2.88Å; I28-L323 WeakPolarHBondContact CD1-O 3.39Å; I28-L323 HydrophobicContact CG2-CD2 4.13Å
29F97.2Very high91.1Very high3 Ų346 Ų461%0.01323%0.229CC..EExtended strand (participates in β ladder)trans-119.7131.5179.6-59.4-84.7000110.8L21 L22 L24 D27 V45 F46 I60 V120 L122L21-F29 CarbonylContact C-O 3.59Å; L21-F29 WeakPolarHBondContact CA-O 3.46Å; L22-F29 HydrophobicContact CB-CB 4.35Å; L22-F29 PolarHBondContact N-O 2.79Å; L22-F29 PolarHBondContact O-N 3.12Å; L24-F29 HydrophobicContact CB-CD2 4.14Å; L24-F29 HydrophobicContact CB-CE2 3.83Å; D27-F29 HydrophobicContact CB-CE2 3.66Å; D27-F29 HydrophobicContact CB-CZ 3.73Å; F29-V45 HydrophobicContact CB-CG1 4.23Å; F29-V45 HydrophobicContact CD1-CG1 4.4Å; F29-F46 CarbonylContact C-O 3.6Å; F29-F46 WeakPolarHBondContact CA-O 3.45Å; F29-I60 HydrophobicContact CD1-CD1 4.34Å; F29-I60 HydrophobicContact CD1-CG1 3.91Å; F29-I60 HydrophobicContact CE1-CD1 3.87Å; F29-I60 HydrophobicContact CE1-CG1 3.91Å; F29-I60 HydrophobicContact CE1-CG2 4.42Å; F29-V120 HydrophobicContact CE1-CG1 4.08Å; F29-V120 HydrophobicContact CZ-CB 4.4Å; F29-V120 HydrophobicContact CZ-CG1 3.81Å; F29-L122 HydrophobicContact CD1-CD1 4.06Å; F29-L122 HydrophobicContact CE1-CD1 4.24Å; F29-L122 HydrophobicContact CE1-CD2 4.49Å; F29-L122 HydrophobicContact CG-CD1 4.42Å; F29-L122 HydrophobicContact CZ-CD2 4.33Å
30L97.9Very high90.1Very high1 Ų149.4 Ų49.41%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-87.8128.7168-178.874000109.3L15 C19 L21 V45 F46 V48 L57L15-L30 HydrophobicContact CD2-CD1 3.65Å; L15-L30 HydrophobicContact CD2-CD2 3.8Å; L15-L30 HydrophobicContact CD2-CG 4.39Å; L15-L30 HydrophobicContact CG-CD2 3.98Å; C19-L30 HydrophobicContact CB-CD1 3.9Å; L21-L30 HydrophobicContact CD2-CB 4.29Å; L21-L30 HydrophobicContact CD2-CD1 3.79Å; L30-V45 WeakPolarHBondContact O-CA 3.49Å; L30-F46 HydrophobicContact CB-CB 4.38Å; L30-F46 PolarHBondContact N-O 2.88Å; L30-F46 PolarHBondContact O-N 3.44Å; L30-V48 HydrophobicContact CB-CG2 3.75Å; L30-L57 HydrophobicContact CB-CD2 4.2Å; L30-L57 HydrophobicContact CD2-CD1 3.49Å; L30-L57 VanDerWaalsContact CD2-CD1 3.49Å; L30-L57 HydrophobicContact CD2-CD2 4Å; L30-L57 HydrophobicContact CD2-CG 4.41Å
31F98.1Very high89.4Confident0 Ų048.8 Ų48.80%025%0.249CC..EExtended strand (participates in β ladder)trans-127147.1172.6169.9-118.5000110.3C19 S20 L22 V45 L69 P70 L72 P75 I92C19-F31 CarbonylContact C-O 3.6Å; C19-F31 WeakPolarHBondContact CA-O 3.5Å; C19-F31 WeakPolarHBondContact CB-O 3.47Å; S20-F31 PolarHBondContact N-O 3.04Å; S20-F31 PolarHBondContact O-N 3.04Å; L22-F31 HydrophobicContact CD1-CB 4.09Å; F31-V45 HydrophobicContact CD2-CG2 4.05Å; F31-L69 HydrophobicContact CD2-CD2 3.9Å; F31-L69 HydrophobicContact CD2-CG 4.42Å; F31-L69 HydrophobicContact CE1-CD2 4.47Å; F31-L69 HydrophobicContact CE2-CD1 4.28Å; F31-L69 HydrophobicContact CE2-CD2 3.43Å; F31-L69 VanDerWaalsContact CE2-CD2 3.43Å; F31-L69 HydrophobicContact CE2-CG 3.51Å; F31-L69 HydrophobicContact CZ-CD1 3.93Å; F31-L69 HydrophobicContact CZ-CD2 3.74Å; F31-L69 HydrophobicContact CZ-CG 3.68Å; F31-P70 WeakPolarHBondContact CE2-O 3.41Å; F31-P70 WeakPolarHBondContact CZ-O 3.46Å; F31-L72 HydrophobicContact CE1-CB 3.95Å; F31-L72 HydrophobicContact CE1-CD1 4.33Å; F31-L72 HydrophobicContact CZ-CB 3.8Å; F31-L72 HydrophobicContact CZ-CD1 3.98Å; F31-L72 HydrophobicContact CZ-CG 4.03Å; F31-P75 HydrophobicContact CE1-CG 4.12Å; F31-I92 HydrophobicContact CD1-CD1 4.04Å; F31-I92 HydrophobicContact CE1-CD1 4.01Å; F31-I92 HydrophobicContact CE1-CG2 3.8Å
32G95.9Very high88.5Confident0 Ų050.1 Ų50.10%026%0.259CS..  trans88.145.4-17900000113.5Q16 L72Q16-G32 PolarHBondContact NE2-O 3.07Å; G32-L72 WeakPolarHBondContact CA-O 3.28Å
33Q93.3Very high88Confident2 Ų250.8 Ų50.81%0.00926%0.263CS..  trans-59.4155.8174.959.9152.472.300113.3L14 Q16 G35 W36 F46 P71L14-Q33 HydrophobicContact CD2-CB 4.45Å; L14-Q33 CarbonylContact O-C 3.48Å; L14-Q33 WeakPolarHBondContact O-CA 3.15Å; Q16-Q33 PolarHBondContact NE2-O 2.85Å; Q33-G35 PolarHBondContact NE2-O 3.18Å; Q33-G35 PolarHBondContact O-N 3.39Å; Q33-W36 PolarHBondContact NE2-O 3.3Å; Q33-W36 VanDerWaalsContact NE2-O 3.07Å; Q33-F46 HydrophobicContact CB-CE2 4.09Å; Q33-F46 HydrophobicContact CG-CE2 4.32Å; Q33-F46 VanDerWaalsContact OE1-CZ 3.31Å; Q33-P71 HydrophobicContact CG-CB 3.89Å; Q33-P71 HydrophobicContact CG-CG 4.41Å
34K89.9Confident87.8Confident123 Ų12348.2 Ų48.254%0.53525%0.251SS..SBendtrans-63.7124.4173.9-168.1175.9-179.4176.30111.4S13 L14 Q16S13-K34 WeakPolarHBondContact O-CB 3.22Å; L14-K34 PolarHBondContact O-N 3.18Å; Q16-K34 HydrophobicContact CB-CB 4.2Å; Q16-K34 VanDerWaalsContact CD-CA 3.44Å; Q16-K34 HydrophobicContact CG-CB 4.31Å
35G85.4Confident88Confident27 Ų2748.2 Ų48.228%0.27825%0.251SS..SBendtrans71.5-178.5-17900000113.6Q33 P71Q33-G35 PolarHBondContact NE2-O 3.18Å; Q33-G35 PolarHBondContact O-N 3.39Å; G35-P71 VanDerWaalsContact O-CG 3.31Å; G35-P71 WeakPolarHBondContact O-CG 3.35Å
36W85.5Confident88.5Confident112 Ų11245 Ų4542%0.42423%0.233SC..SBendtrans-67.8150.6178.1-70.597.2000112.2Q33 R38 Y68 P98 N99Q33-W36 PolarHBondContact NE2-O 3.3Å; Q33-W36 VanDerWaalsContact NE2-O 3.07Å; W36-R38 PolarHBondContact O-N 3.29Å; W36-Y68 AromaticContact CZ3-CE1 3.78Å; W36-Y68 HydrophobicContact CZ3-CE1 3.78Å; W36-Y68 AromaticContact CZ3-CZ 3.83Å; W36-Y68 WeakPolarHBondContact CZ3-OH 3.3Å; W36-P98 HydrophobicContact CD2-CB 4.26Å; W36-P98 HydrophobicContact CD2-CG 3.98Å; W36-P98 HydrophobicContact CG-CB 4.18Å; W36-P98 HydrophobicContact CG-CG 4.14Å; W36-P98 HydrophobicContact CZ2-CB 4.47Å; W36-P98 HydrophobicContact CZ2-CG 4.41Å; W36-N99 PolarHBondContact NE1-OD1 3.45Å
37P83.1Confident89Confident30 Ų3042.5 Ų42.520%0.19521%0.208CC..PPolyproline II helixtrans-54.2137.6176.1-26.137.3000112C41 P42 Y68 P71P37-C41 WeakPolarHBondContact CB-O 3.33Å; P37-P42 VanDerWaalsContact CB-O 3.26Å; P37-P42 WeakPolarHBondContact CB-O 3.28Å; P37-Y68 VanDerWaalsContact CD-OH 3.3Å; P37-Y68 WeakPolarHBondContact CD-OH 3.41Å; P37-Y68 HydrophobicContact CG-CE2 4.24Å; P37-P71 HydrophobicContact CG-CG 4.34Å
38R79.9Confident89.2Confident169 Ų16940.6 Ų40.664%0.63820%0.198SC*.BIsolated β-bridgetrans-96.4165.7178.4-64.1-173.9-179.9-158.90.7110W36 S40 C41W36-R38 PolarHBondContact O-N 3.29Å; R38-S40 PolarHBondContact O-N 3.47Å; R38-S40 VanDerWaalsContact O-N 3.13Å; R38-C41 CarbonylContact O-C 3.59Å; R38-C41 PolarHBondContact O-N 3.49Å; R38-C41 VanDerWaalsContact O-O 3.12Å
39R72.1Confident89.1Confident169 Ų16944 Ų4464%0.63821%0.21SC*.THydrogen-bonded Turntrans-54-33.2175.3-74.5-165-74.5-136.42.9113.5C41 S438R39-C41 PolarHBondContact O-N 3Å; R39-S438 PolarHBondContact NH1-OG 2.93Å; R39-S438 VanDerWaalsContact NH1-OG 3.08Å; R39-S438 PolarHBondContact NH2-OG 3.45Å
40S77Confident88.9Confident91 Ų9146.1 Ų46.164%0.63622%0.221SC*.THydrogen-bonded Turntrans-65.8-21176.854.40000114.4R38 P59R38-S40 PolarHBondContact O-N 3.47Å; R38-S40 VanDerWaalsContact O-N 3.13Å; S40-P59 WeakPolarHBondContact O-CG 3.4Å
41C83.6Confident88.6Confident1 Ų152.4 Ų52.41%0.00725%0.249CC..BIsolated β-bridgetrans-155.884.2173.7-173.60000109.1P37 R38 R39 T43 G44 V45 F46 P59P37-C41 WeakPolarHBondContact CB-O 3.33Å; R38-C41 CarbonylContact O-C 3.59Å; R38-C41 PolarHBondContact O-N 3.49Å; R38-C41 VanDerWaalsContact O-O 3.12Å; R39-C41 PolarHBondContact O-N 3Å; C41-T43 PolarHBondContact O-N 3.43Å; C41-T43 PolarHBondContact SG-OG1 3.12Å; C41-G44 PolarHBondContact O-N 2.82Å; C41-G44 VanDerWaalsContact O-N 3.16Å; C41-V45 PolarHBondContact SG-O 2.6Å; C41-F46 HydrophobicContact CB-CD1 4.36Å; C41-F46 HydrophobicContact CB-CE1 3.4Å; C41-F46 VanDerWaalsContact CB-CE1 3.4Å; C41-F46 HydrophobicContact CB-CE2 4.37Å; C41-F46 HydrophobicContact CB-CZ 3.41Å; C41-F46 VanDerWaalsContact CB-CZ 3.41Å; C41-F46 VanDerWaalsContact SG-CE1 3.55Å; C41-F46 VanDerWaalsContact SG-CZ 3.54Å; C41-P59 HydrophobicContact CB-CB 3.85Å; C41-P59 HydrophobicContact CB-CG 4.13Å
42P78.7Confident88.2Confident51 Ų5161.3 Ų61.333%0.33129%0.29SS..THydrogen-bonded Turntrans-70.8-17.8-172.527.3-34.7000113.3P37P37-P42 VanDerWaalsContact CB-O 3.26Å; P37-P42 WeakPolarHBondContact CB-O 3.28Å
43T85.4Confident88.1Confident14 Ų1462 Ų629%0.08630%0.297CS..THydrogen-bonded Turntrans-78.3-23.117560.60000112.5C41 V45 I60 F62C41-T43 PolarHBondContact O-N 3.43Å; C41-T43 PolarHBondContact SG-OG1 3.12Å; T43-V45 PolarHBondContact O-N 3.18Å; T43-V45 PolarHBondContact OG1-N 3.49Å; T43-I60 WeakPolarHBondContact CB-O 3.14Å; T43-I60 WeakPolarHBondContact CG2-O 3.38Å; T43-I60 PolarHBondContact OG1-O 3.48Å; T43-F62 HydrophobicContact CG2-CB 3.96Å; T43-F62 HydrophobicContact CG2-CD1 3.72Å; T43-F62 HydrophobicContact CG2-CD2 4.02Å; T43-F62 HydrophobicContact CG2-CE1 4.22Å; T43-F62 HydrophobicContact CG2-CE2 4.49Å; T43-F62 HydrophobicContact CG2-CG 3.61Å
44G88.7Confident88.2Confident0 Ų065.3 Ų65.30%031%0.312CS..  trans66.111.7-171.900000114.7C41C41-G44 PolarHBondContact O-N 2.82Å; C41-G44 VanDerWaalsContact O-N 3.16Å
45V95.9Very high88.4Confident0 Ų059.5 Ų59.50%029%0.287CS..  trans-110.3134.7177.2-179.50000109.5F29 L30 F31 C41 T43 I60 F62 L122F29-V45 HydrophobicContact CB-CG1 4.23Å; F29-V45 HydrophobicContact CD1-CG1 4.4Å; L30-V45 WeakPolarHBondContact O-CA 3.49Å; F31-V45 HydrophobicContact CD2-CG2 4.05Å; C41-V45 PolarHBondContact SG-O 2.6Å; T43-V45 PolarHBondContact O-N 3.18Å; T43-V45 PolarHBondContact OG1-N 3.49Å; V45-I60 HydrophobicContact CG1-CB 4.39Å; V45-I60 WeakPolarHBondContact O-CB 3.4Å; V45-I60 PolarHBondContact O-N 2.86Å; V45-F62 HydrophobicContact CB-CE1 4.25Å; V45-F62 HydrophobicContact CG2-CE1 3.95Å; V45-F62 HydrophobicContact CG2-CZ 3.77Å; V45-L122 HydrophobicContact CG1-CD1 3.85Å
46F96.6Very high88.9Confident10 Ų1062 Ų624%0.04429%0.29CS..EExtended strand (participates in β ladder)trans-128.6138-176.3-58.6-96.9000111.6L14 F29 L30 Q33 C41 L57 R58 P59L14-F46 HydrophobicContact CD1-CE1 3.91Å; L14-F46 HydrophobicContact CD1-CE2 4.28Å; L14-F46 HydrophobicContact CD1-CZ 3.74Å; L14-F46 HydrophobicContact CD2-CZ 4.44Å; F29-F46 CarbonylContact C-O 3.6Å; F29-F46 WeakPolarHBondContact CA-O 3.45Å; L30-F46 HydrophobicContact CB-CB 4.38Å; L30-F46 PolarHBondContact N-O 2.88Å; L30-F46 PolarHBondContact O-N 3.44Å; Q33-F46 HydrophobicContact CB-CE2 4.09Å; Q33-F46 HydrophobicContact CG-CE2 4.32Å; Q33-F46 VanDerWaalsContact OE1-CZ 3.31Å; C41-F46 HydrophobicContact CB-CD1 4.36Å; C41-F46 HydrophobicContact CB-CE1 3.4Å; C41-F46 VanDerWaalsContact CB-CE1 3.4Å; C41-F46 HydrophobicContact CB-CE2 4.37Å; C41-F46 HydrophobicContact CB-CZ 3.41Å; C41-F46 VanDerWaalsContact CB-CZ 3.41Å; C41-F46 VanDerWaalsContact SG-CE1 3.55Å; C41-F46 VanDerWaalsContact SG-CZ 3.54Å; F46-L57 HydrophobicContact CB-CB 3.92Å; F46-L57 HydrophobicContact CB-CD1 4.31Å; F46-L57 HydrophobicContact CB-CD2 4.05Å; F46-L57 HydrophobicContact CB-CG 4.31Å; F46-L57 HydrophobicContact CD1-CB 3.96Å; F46-L57 HydrophobicContact CG-CB 4.12Å; F46-L57 HydrophobicContact CG-CD1 4.23Å; F46-R58 CarbonylContact C-O 3.58Å; F46-R58 WeakPolarHBondContact CA-O 3.29Å; F46-P59 HydrophobicContact CD1-CG 4.45Å; F46-P59 HydrophobicContact CE1-CG 4.33Å
47G96.4Very high89.3Confident11 Ų1156.8 Ų56.811%0.11327%0.271CS..EExtended strand (participates in β ladder)trans-72.1126.7164.400000109.4I28 L57 R58I28-G47 CarbonylContact O-C 3.55Å; G47-L57 WeakPolarHBondContact O-CA 3.32Å; G47-R58 PolarHBondContact N-O 3.26Å; G47-R58 PolarHBondContact O-N 2.74Å
48V96.3Very high89.8Confident19 Ų1961.4 Ų61.412%0.11528%0.284CS..EExtended strand (participates in β ladder)trans-87.9124.1177.2-178.90000108.7L21 I28 L30 L50 L55 L57L21-V48 HydrophobicContact CD2-CG2 3.94Å; I28-V48 HydrophobicContact CB-CB 4.12Å; I28-V48 HydrophobicContact CG2-CB 3.99Å; I28-V48 HydrophobicContact CG2-CG2 4.1Å; I28-V48 PolarHBondContact O-N 2.88Å; L30-V48 HydrophobicContact CB-CG2 3.75Å; V48-L50 HydrophobicContact CG1-CG 4.35Å; V48-L55 HydrophobicContact CG1-CD1 3.64Å; V48-L57 HydrophobicContact CB-CD2 4.44Å; V48-L57 HydrophobicContact CG2-CD2 3.81Å
49R94Very high90.4Very high90 Ų9056.9 Ų56.934%0.3428%0.277SS..EExtended strand (participates in β ladder)trans-120.2120.3173.6-68.2-167.9178.3-165.43.1110K56R49-K56 HydrophobicContact CB-CB 4.39Å; R49-K56 PolarHBondContact N-O 3.36Å; R49-K56 PolarHBondContact O-N 2.84Å
50L93.2Very high91.4Very high49 Ų4949.7 Ų49.726%0.25725%0.251SS..EExtended strand (participates in β ladder)trans-107.1113.4172.8-62.9173.7000108.2L6 V48 E54 L55 L323L6-L50 HydrophobicContact CD1-CD2 3.62Å; L6-L50 HydrophobicContact CD2-CD2 4.19Å; V48-L50 HydrophobicContact CG1-CG 4.35Å; L50-E54 WeakPolarHBondContact CA-O 3.43Å; L50-L55 HydrophobicContact CD2-CB 4.03Å; L50-L55 HydrophobicContact CD2-CD1 3.6Å; L50-L55 HydrophobicContact CD2-CG 4.38Å; L50-L323 HydrophobicContact CD1-CD1 3.5Å; L50-L323 VanDerWaalsContact CD1-CD1 3.5Å; L50-L323 HydrophobicContact CD1-CD2 3.96Å; L50-L323 HydrophobicContact CD1-CG 4.36Å
51K91.1Very high92Very high132 Ų13246.6 Ų46.657%0.57423%0.229SC*.EExtended strand (participates in β ladder)trans-145.9131.9177.3-70.2-165.8175.4-165.30110.5G53 E54K51-G53 PolarHBondContact O-N 3Å; K51-E54 PolarHBondContact N-O 2.9Å; K51-E54 VanDerWaalsContact N-O 3.13Å; K51-E54 WeakPolarHBondContact O-CB 3.21Å; K51-E54 PolarHBondContact O-N 3.25Å
52H90.9Very high92.3Very high188 Ų18847.9 Ų47.987%0.8724%0.235SC*.THydrogen-bonded Turntrans51.337.3177.6-48.4111.3000113.8E54H52-E54 VanDerWaalsContact C-N 3.27Å; H52-E54 PolarHBondContact O-N 2.84Å
53G92.4Very high92.8Very high14 Ų1446.1 Ų46.114%0.14422%0.223CC..THydrogen-bonded Turntrans77.15.6-176.800000114.9L6 T7 K51L6-G53 CarbonylContact C-O 3.56Å; L6-G53 WeakPolarHBondContact CA-O 3.5Å; T7-G53 PolarHBondContact N-O 3.11Å; K51-G53 PolarHBondContact O-N 3Å
54E95.4Very high92.7Very high71 Ų7151.5 Ų51.533%0.33225%0.252SS..EExtended strand (participates in β ladder)trans-98.6137.3175.9-62.1-179164.600111.9T7 V9 L50 K51 H52 K56T7-E54 WeakPolarHBondContact O-CA 3.32Å; V9-E54 HydrophobicContact CG2-CB 3.86Å; V9-E54 HydrophobicContact CG2-CG 4.01Å; L50-E54 WeakPolarHBondContact CA-O 3.43Å; K51-E54 PolarHBondContact N-O 2.9Å; K51-E54 VanDerWaalsContact N-O 3.13Å; K51-E54 WeakPolarHBondContact O-CB 3.21Å; K51-E54 PolarHBondContact O-N 3.25Å; H52-E54 VanDerWaalsContact C-N 3.27Å; H52-E54 PolarHBondContact O-N 2.84Å; E54-K56 WeakPolarHBondContact OE2-CE 3.49Å; E54-K56 IonicContact OE2-NZ 2.77Å; E54-K56 PolarHBondContact OE2-NZ 3.49Å
55L95.4Very high92.5Very high1 Ų154.6 Ų54.61%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-100.3115.2168.7173.862000109.8L6 T7 V9 L15 V48 L50 L329 F346L6-L55 HydrophobicContact CB-CB 4.41Å; L6-L55 HydrophobicContact CD1-CB 4.46Å; T7-L55 PolarHBondContact O-N 3.08Å; V9-L55 PolarHBondContact N-O 3.21Å; L15-L55 HydrophobicContact CD1-CD2 3.76Å; V48-L55 HydrophobicContact CG1-CD1 3.64Å; L50-L55 HydrophobicContact CD2-CB 4.03Å; L50-L55 HydrophobicContact CD2-CD1 3.6Å; L50-L55 HydrophobicContact CD2-CG 4.38Å; L55-L329 HydrophobicContact CD2-CD1 4.5Å; L55-L329 HydrophobicContact CD2-CD2 4.46Å; L55-F346 HydrophobicContact CD2-CB 4.28Å; L55-F346 HydrophobicContact CD2-CD1 4.29Å; L55-F346 HydrophobicContact CD2-CD2 4.15Å; L55-F346 HydrophobicContact CD2-CG 3.96Å
56K95Very high92Very high80 Ų8054.8 Ų54.835%0.34827%0.27SS..EExtended strand (participates in β ladder)trans-122.4134178.7-79.1171.2169159.70110.7V9 R49 E54V9-K56 HydrophobicContact CB-CD 4.49Å; V9-K56 HydrophobicContact CB-CG 3.8Å; V9-K56 HydrophobicContact CG1-CG 4.35Å; V9-K56 HydrophobicContact CG2-CG 4.05Å; R49-K56 HydrophobicContact CB-CB 4.39Å; R49-K56 PolarHBondContact N-O 3.36Å; R49-K56 PolarHBondContact O-N 2.84Å; E54-K56 WeakPolarHBondContact OE2-CE 3.49Å; E54-K56 IonicContact OE2-NZ 2.77Å; E54-K56 PolarHBondContact OE2-NZ 3.49Å
57L94.8Very high91.4Very high3 Ų355 Ų552%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-102.6133.1172-66.2-174.3000110.5N10 C11 L14 L30 F46 G47 V48N10-L57 PolarHBondContact ND2-O 3.1Å; N10-L57 PolarHBondContact OD1-N 2.86Å; C11-L57 HydrophobicContact CB-CB 4.09Å; C11-L57 HydrophobicContact CB-CD1 3.32Å; C11-L57 HydrophobicContact CB-CG 3.43Å; C11-L57 VanDerWaalsContact CB-CG 3.43Å; L14-L57 HydrophobicContact CB-CD1 4.19Å; L14-L57 HydrophobicContact CD1-CD1 4.04Å; L30-L57 HydrophobicContact CB-CD2 4.2Å; L30-L57 HydrophobicContact CD2-CD1 3.49Å; L30-L57 VanDerWaalsContact CD2-CD1 3.49Å; L30-L57 HydrophobicContact CD2-CD2 4Å; L30-L57 HydrophobicContact CD2-CG 4.41Å; F46-L57 HydrophobicContact CB-CB 3.92Å; F46-L57 HydrophobicContact CB-CD1 4.31Å; F46-L57 HydrophobicContact CB-CD2 4.05Å; F46-L57 HydrophobicContact CB-CG 4.31Å; F46-L57 HydrophobicContact CD1-CB 3.96Å; F46-L57 HydrophobicContact CG-CB 4.12Å; F46-L57 HydrophobicContact CG-CD1 4.23Å; G47-L57 WeakPolarHBondContact O-CA 3.32Å; V48-L57 HydrophobicContact CB-CD2 4.44Å; V48-L57 HydrophobicContact CG2-CD2 3.81Å
58R93.6Very high90.8Very high126 Ų12657.1 Ų57.148%0.47528%0.277SS..EExtended strand (participates in β ladder)trans-115.3125.7174.4-68.2-165176-158.4-4.5110.4F46 G47 I60F46-R58 CarbonylContact C-O 3.58Å; F46-R58 WeakPolarHBondContact CA-O 3.29Å; G47-R58 PolarHBondContact N-O 3.26Å; G47-R58 PolarHBondContact O-N 2.74Å; R58-I60 PolarHBondContact O-N 3.43Å
59P91.9Very high90.4Very high74 Ų7456.3 Ų56.348%0.48127%0.272SS..EExtended strand (participates in β ladder)trans-53.8138.3175.2-26.635.4000112.1S40 C41 F46S40-P59 WeakPolarHBondContact O-CG 3.4Å; C41-P59 HydrophobicContact CB-CB 3.85Å; C41-P59 HydrophobicContact CB-CG 4.13Å; F46-P59 HydrophobicContact CD1-CG 4.45Å; F46-P59 HydrophobicContact CE1-CG 4.33Å
60I93.3Very high90.1Very high18 Ų1852.5 Ų52.59%0.09226%0.259CS..  trans-114.7134.7177.8-60.2-62.5000109.8F29 T43 V45 R58 L122F29-I60 HydrophobicContact CD1-CD1 4.34Å; F29-I60 HydrophobicContact CD1-CG1 3.91Å; F29-I60 HydrophobicContact CE1-CD1 3.87Å; F29-I60 HydrophobicContact CE1-CG1 3.91Å; F29-I60 HydrophobicContact CE1-CG2 4.42Å; T43-I60 WeakPolarHBondContact CB-O 3.14Å; T43-I60 WeakPolarHBondContact CG2-O 3.38Å; T43-I60 PolarHBondContact OG1-O 3.48Å; V45-I60 HydrophobicContact CG1-CB 4.39Å; V45-I60 WeakPolarHBondContact O-CB 3.4Å; V45-I60 PolarHBondContact O-N 2.86Å; R58-I60 PolarHBondContact O-N 3.43Å; I60-L122 HydrophobicContact CG2-CB 4.41Å; I60-L122 HydrophobicContact CG2-CD1 3.7Å; I60-L122 HydrophobicContact CG2-CG 3.7Å
61S88.8Confident90.1Very high26 Ų2650.3 Ų50.318%0.18225%0.248CC..EExtended strand (participates in β ladder)trans-87.6151.4178.1-53.80000111.1T121 L122S61-T121 WeakPolarHBondContact O-CA 3.45Å; S61-L122 PolarHBondContact O-N 2.85Å
62F90.4Very high90.4Very high29 Ų2944 Ų4413%0.12722%0.22CC..EExtended strand (participates in β ladder)trans-101.9153.8170.9-78.93.6000111.1T43 V45 L69 L109 L122 C124T43-F62 HydrophobicContact CG2-CB 3.96Å; T43-F62 HydrophobicContact CG2-CD1 3.72Å; T43-F62 HydrophobicContact CG2-CD2 4.02Å; T43-F62 HydrophobicContact CG2-CE1 4.22Å; T43-F62 HydrophobicContact CG2-CE2 4.49Å; T43-F62 HydrophobicContact CG2-CG 3.61Å; V45-F62 HydrophobicContact CB-CE1 4.25Å; V45-F62 HydrophobicContact CG2-CE1 3.95Å; V45-F62 HydrophobicContact CG2-CZ 3.77Å; F62-L69 HydrophobicContact CE2-CB 4.17Å; F62-L109 HydrophobicContact CE1-CD1 4.02Å; F62-L109 HydrophobicContact CZ-CD1 3.87Å; F62-L122 CarbonylContact C-O 3.59Å; F62-L122 WeakPolarHBondContact CA-O 3.39Å; F62-L122 HydrophobicContact CD1-CB 3.87Å; F62-L122 HydrophobicContact CE1-CB 3.9Å; F62-L122 HydrophobicContact CE1-CD1 4.27Å; F62-C124 HydrophobicContact CD2-CB 4.06Å; F62-C124 HydrophobicContact CE2-CB 3.63Å; F62-C124 HydrophobicContact CZ-CB 4.09Å
63S88.3Confident90.8Very high13 Ų1337.3 Ų37.39%0.09119%0.187CC..PPolyproline II helixtrans-65.7156.6171.467.60000111.2D65 S66 L122 R123S63-D65 WeakPolarHBondContact CB-OD1 3.36Å; S63-D65 PolarHBondContact O-N 2.92Å; S63-D65 VanDerWaalsContact O-N 3.11Å; S63-D65 PolarHBondContact OG-OD1 2.86Å; S63-S66 PolarHBondContact N-OG 3.35Å; S63-S66 WeakPolarHBondContact O-CB 3.26Å; S63-S66 PolarHBondContact O-N 2.92Å; S63-S66 PolarHBondContact O-OG 2.79Å; S63-S66 PolarHBondContact OG-OG 3.24Å; S63-L122 PolarHBondContact N-O 3.26Å; S63-R123 WeakPolarHBondContact OG-CB 3.32Å; S63-R123 WeakPolarHBondContact OG-CG 3.47Å
64N83.3Confident91Very high127 Ų12738.4 Ų38.468%0.67919%0.193SC*.THydrogen-bonded Turntrans-62.6-20.9-176.9-68.8-25.2000114.6
65D84.6Confident91.2Very high66 Ų6635.6 Ų35.635%0.35318%0.181SC..THydrogen-bonded Turntrans-98.17.417974-35.4000113S63 R123S63-D65 WeakPolarHBondContact CB-OD1 3.36Å; S63-D65 PolarHBondContact O-N 2.92Å; S63-D65 VanDerWaalsContact O-N 3.11Å; S63-D65 PolarHBondContact OG-OD1 2.86Å; D65-R123 IonicContact OD1-NE 2.7Å; D65-R123 PolarHBondContact OD1-NE 2.85Å; D65-R123 IonicContact OD2-CZ 2.99Å; D65-R123 IonicContact OD2-NE 3.44Å; D65-R123 PolarHBondContact OD2-NE 2.99Å; D65-R123 IonicContact OD2-NH2 2.63Å; D65-R123 PolarHBondContact OD2-NH2 2.82Å
66S86.4Confident91.3Very high4 Ų435.8 Ų35.83%0.02818%0.182CC..PPolyproline II helixtrans-72.8144.9175.1-66.80000112.4S63 R123 C124S63-S66 PolarHBondContact N-OG 3.35Å; S63-S66 WeakPolarHBondContact O-CB 3.26Å; S63-S66 PolarHBondContact O-N 2.92Å; S63-S66 PolarHBondContact O-OG 2.79Å; S63-S66 PolarHBondContact OG-OG 3.24Å; S66-R123 VanDerWaalsContact OG-CA 3.32Å; S66-R123 WeakPolarHBondContact OG-CA 3.36Å; S66-C124 CarbonylContact C-O 3.55Å; S66-C124 WeakPolarHBondContact CA-O 3.47Å; S66-C124 PolarHBondContact OG-N 3.27Å
67C84.7Confident91.5Very high14 Ų1434.4 Ų34.410%0.09518%0.18CC..BIsolated β-bridgetrans-82.2163.6165.569.80000111C124 E126C67-C124 PolarHBondContact N-O 2.77Å; C67-C124 PolarHBondContact SG-O 2.94Å; C67-E126 PolarHBondContact SG-N 2.94Å
68Y82.5Confident91.6Very high55 Ų5535.2 Ų35.222%0.21619%0.186CC..PPolyproline II helixtrans-65135.8167.5-177.9-110.3000110.7W36 P37 P70 V420 K421W36-Y68 AromaticContact CZ3-CE1 3.78Å; W36-Y68 HydrophobicContact CZ3-CE1 3.78Å; W36-Y68 AromaticContact CZ3-CZ 3.83Å; W36-Y68 WeakPolarHBondContact CZ3-OH 3.3Å; P37-Y68 VanDerWaalsContact CD-OH 3.3Å; P37-Y68 WeakPolarHBondContact CD-OH 3.41Å; P37-Y68 HydrophobicContact CG-CE2 4.24Å; Y68-P70 HydrophobicContact CE1-CB 3.84Å; Y68-P70 HydrophobicContact CE1-CG 4.48Å; Y68-V420 VanDerWaalsContact CA-CG1 3.47Å; Y68-V420 HydrophobicContact CD2-CG1 4.24Å; Y68-V420 HydrophobicContact CG-CG1 4.38Å; Y68-V420 VanDerWaalsContact N-CG1 3.34Å; Y68-K421 PolarHBondContact N-O 2.84Å
69L88.3Confident91.5Very high2 Ų233.1 Ų33.11%0.0118%0.177CC..  trans-116.9108.3172.3-179.662.6000108.2F31 F62 L72 I92 Y107F31-L69 HydrophobicContact CD2-CD2 3.9Å; F31-L69 HydrophobicContact CD2-CG 4.42Å; F31-L69 HydrophobicContact CE1-CD2 4.47Å; F31-L69 HydrophobicContact CE2-CD1 4.28Å; F31-L69 HydrophobicContact CE2-CD2 3.43Å; F31-L69 VanDerWaalsContact CE2-CD2 3.43Å; F31-L69 HydrophobicContact CE2-CG 3.51Å; F31-L69 HydrophobicContact CZ-CD1 3.93Å; F31-L69 HydrophobicContact CZ-CD2 3.74Å; F31-L69 HydrophobicContact CZ-CG 3.68Å; F62-L69 HydrophobicContact CE2-CB 4.17Å; L69-L72 HydrophobicContact CD1-CD1 4.3Å; L69-I92 HydrophobicContact CD2-CD1 4.13Å; L69-Y107 HydrophobicContact CD1-CD1 3.73Å; L69-Y107 HydrophobicContact CD1-CD2 3.52Å; L69-Y107 HydrophobicContact CD1-CE1 4.08Å; L69-Y107 HydrophobicContact CD1-CE2 3.89Å; L69-Y107 HydrophobicContact CD1-CG 3.43Å; L69-Y107 VanDerWaalsContact CD1-CG 3.43Å
70P88.7Confident91.5Very high11 Ų1130.4 Ų30.47%0.07116%0.159CC..  trans-60.8148.2175.623.5-31.5000110.5F31 Y68 L72 T97F31-P70 WeakPolarHBondContact CE2-O 3.41Å; F31-P70 WeakPolarHBondContact CZ-O 3.46Å; Y68-P70 HydrophobicContact CE1-CB 3.84Å; Y68-P70 HydrophobicContact CE1-CG 4.48Å; P70-L72 VanDerWaalsContact C-N 3.33Å; P70-L72 HydrophobicContact CB-CD2 4.48Å; P70-L72 HydrophobicContact CG-CD1 4.46Å; P70-L72 HydrophobicContact CG-CD2 3.98Å; P70-L72 HydrophobicContact CG-CG 4.09Å; P70-L72 WeakPolarHBondContact O-CG 3.38Å; P70-L72 PolarHBondContact O-N 3.17Å; P70-T97 HydrophobicContact CB-CG2 4.43Å
71P92.8Very high91.2Very high2 Ų233.8 Ų33.81%0.01317%0.174CC..  trans-72.391.5174.328-31.6000109.4Q33 G35 P37 P98Q33-P71 HydrophobicContact CG-CB 3.89Å; Q33-P71 HydrophobicContact CG-CG 4.41Å; G35-P71 VanDerWaalsContact O-CG 3.31Å; G35-P71 WeakPolarHBondContact O-CG 3.35Å; P37-P71 HydrophobicContact CG-CG 4.34Å; P71-P98 HydrophobicContact CG-CG 3.58Å
72L97.5Very high91Very high0 Ų036.4 Ų36.40%019%0.191CC..  trans-79.8134.1-175.2-65.1161.3000110.6F31 G32 L69 P70 P75 I92 G94 R96 T97 Y107F31-L72 HydrophobicContact CE1-CB 3.95Å; F31-L72 HydrophobicContact CE1-CD1 4.33Å; F31-L72 HydrophobicContact CZ-CB 3.8Å; F31-L72 HydrophobicContact CZ-CD1 3.98Å; F31-L72 HydrophobicContact CZ-CG 4.03Å; G32-L72 WeakPolarHBondContact CA-O 3.28Å; L69-L72 HydrophobicContact CD1-CD1 4.3Å; P70-L72 VanDerWaalsContact C-N 3.33Å; P70-L72 HydrophobicContact CB-CD2 4.48Å; P70-L72 HydrophobicContact CG-CD1 4.46Å; P70-L72 HydrophobicContact CG-CD2 3.98Å; P70-L72 HydrophobicContact CG-CG 4.09Å; P70-L72 WeakPolarHBondContact O-CG 3.38Å; P70-L72 PolarHBondContact O-N 3.17Å; L72-P75 HydrophobicContact CB-CB 4.11Å; L72-P75 HydrophobicContact CB-CG 4.16Å; L72-I92 HydrophobicContact CD1-CG2 4.12Å; L72-G94 WeakPolarHBondContact CD1-O 3.35Å; L72-G94 WeakPolarHBondContact CD2-O 3.33Å; L72-R96 CarbonylContact C-O 3.55Å; L72-R96 WeakPolarHBondContact CA-O 3.35Å; L72-T97 HydrophobicContact CD2-CG2 4.23Å; L72-Y107 HydrophobicContact CD1-CD2 4.35Å; L72-Y107 HydrophobicContact CD1-CE2 4.11Å
73R97.9Very high90.5Very high47 Ų4738 Ų3818%0.17720%0.199CC..BIsolated β-bridgetrans-96.2135.4169.1-69.7-171.3-68.4-104.5-1.8111G18 P75 G95 R96 T97 N100G18-R73 CarbonylContact O-C 3.42Å; G18-R73 WeakPolarHBondContact O-CA 3.47Å; R73-P75 VanDerWaalsContact C-N 3.33Å; R73-G95 CarbonylContact O-C 3.6Å; R73-G95 VanDerWaalsContact O-CA 3.28Å; R73-G95 WeakPolarHBondContact O-CA 3.42Å; R73-R96 HydrophobicContact CB-CB 4.38Å; R73-R96 PolarHBondContact N-O 2.88Å; R73-R96 PolarHBondContact O-N 3.1Å; R73-T97 PolarHBondContact NH2-O 2.81Å; R73-N100 PolarHBondContact NH2-OD1 3.23Å
74C98.3Very high90Very high38 Ų3843.7 Ų43.726%0.25723%0.228SC..SBendtrans50.143.5-177.5-540000113.9G18 Y138 G139 F206G18-C74 WeakPolarHBondContact CA-SG 3.44Å; G18-C74 PolarHBondContact O-N 3.48Å; C74-Y138 HydrophobicContact CB-CD2 3.98Å; C74-G139 PolarHBondContact O-N 3.3Å; C74-F206 HydrophobicContact CB-CE1 4.27Å
75P98.6Very high89.5Confident12 Ų1241.7 Ų41.78%0.07824%0.237CC..  trans-69159169.334.3-35.1000109.6F31 L72 R73 V77 I92F31-P75 HydrophobicContact CE1-CG 4.12Å; L72-P75 HydrophobicContact CB-CB 4.11Å; L72-P75 HydrophobicContact CB-CG 4.16Å; R73-P75 VanDerWaalsContact C-N 3.33Å; P75-V77 HydrophobicContact CB-CG1 4.47Å; P75-V77 HydrophobicContact CG-CG1 4.01Å; P75-I92 HydrophobicContact CB-CG2 3.77Å; P75-I92 HydrophobicContact CG-CG2 4.16Å
76A98.7Very high89.2Confident4 Ų445 Ų453%0.03325%0.25CS..EExtended strand (participates in β ladder)trans-82.3131.8163.200000109.3I92 H93 H140 L142A76-I92 WeakPolarHBondContact O-CA 3.32Å; A76-H93 PolarHBondContact N-O 3.06Å; A76-H93 PolarHBondContact O-N 3Å; A76-H140 WeakPolarHBondContact CB-CD2 3.22Å; A76-H140 WeakPolarHBondContact CB-NE2 3.21Å; A76-H140 WeakPolarHBondContact CB-O 3.38Å; A76-L142 HydrophobicContact CB-CB 3.56Å
77V97.9Very high89.1Confident51 Ų5148.1 Ų48.131%0.30927%0.27SS..EExtended strand (participates in β ladder)trans-126.9138.7-178.5-60.20000110L22 P75 Y90 L91 I92L22-V77 HydrophobicContact CD2-CB 4.28Å; L22-V77 HydrophobicContact CD2-CG1 4.27Å; L22-V77 HydrophobicContact CD2-CG2 4.42Å; P75-V77 HydrophobicContact CB-CG1 4.47Å; P75-V77 HydrophobicContact CG-CG1 4.01Å; V77-Y90 HydrophobicContact CB-CD1 4.46Å; V77-L91 VanDerWaalsContact CA-O 3.31Å; V77-L91 WeakPolarHBondContact CA-O 3.19Å; V77-I92 HydrophobicContact CG1-CG1 4.17Å; V77-I92 HydrophobicContact CG1-CG2 4.28Å
78T96.3Very high89.4Confident21 Ų2148.7 Ų48.713%0.12927%0.271CS..EExtended strand (participates in β ladder)trans-141.2141173.7-153.20000110.8Y90 L91 L142 M144T78-Y90 VanDerWaalsContact O-CA 3.31Å; T78-Y90 WeakPolarHBondContact O-CA 3.22Å; T78-Y90 VanDerWaalsContact O-CD1 3.31Å; T78-Y90 WeakPolarHBondContact O-CD1 3.23Å; T78-L91 HydrophobicContact CG2-CB 4.03Å; T78-L91 HydrophobicContact CG2-CD1 4.26Å; T78-L91 PolarHBondContact N-O 3.32Å; T78-L91 PolarHBondContact O-N 3.14Å; T78-L142 WeakPolarHBondContact CB-O 3.32Å; T78-L142 HydrophobicContact CG2-CD2 3.75Å; T78-L142 HydrophobicContact CG2-CG 3.7Å; T78-L142 PolarHBondContact OG1-O 3.24Å; T78-M144 HydrophobicContact CG2-CG 3.73Å; T78-M144 HydrophobicContact CG2-SD 4.16Å
79R93.1Very high90Very high81 Ų8146 Ų4631%0.30626%0.261SS..EExtended strand (participates in β ladder)trans-79.8134.7178.6-172179.6-179-172.40.4109.5E81 E88 Y90R79-E81 IonicContact CZ-OE1 3.79Å; R79-E81 IonicContact NE-OE1 2.7Å; R79-E81 IonicContact NH1-OE1 2.95Å; R79-E88 IonicContact CZ-OE2 3.39Å; R79-E88 IonicContact NE-OE2 4Å; R79-E88 IonicContact NH2-OE2 3.43Å; R79-E88 PolarHBondContact NH2-OE2 2.8Å; R79-Y90 HydrophobicContact CB-CD1 4.37Å; R79-Y90 HydrophobicContact CB-CE1 3.83Å; R79-Y90 HydrophobicContact CG-CE1 4.46Å; R79-Y90 HydrophobicContact CG-CE2 4.27Å
80L91.1Very high90.5Very high17 Ų1747.1 Ų47.19%0.08927%0.265CS..EExtended strand (participates in β ladder)trans-96.8112.4167.1-69.1173.8000108.6E88 G89 L91 L108 M144 L187L80-E88 WeakPolarHBondContact O-CA 3.4Å; L80-E88 WeakPolarHBondContact O-CB 3.35Å; L80-G89 PolarHBondContact N-O 3Å; L80-G89 PolarHBondContact O-N 2.93Å; L80-L91 HydrophobicContact CD1-CD1 4.09Å; L80-L91 HydrophobicContact CD1-CD2 4.17Å; L80-L91 HydrophobicContact CD1-CG 3.71Å; L80-L91 HydrophobicContact CD2-CD1 3.86Å; L80-L91 HydrophobicContact CD2-CG 4.31Å; L80-L91 HydrophobicContact CG-CD1 4.13Å; L80-L91 HydrophobicContact CG-CG 4.02Å; L80-L108 HydrophobicContact CD1-CD1 3.34Å; L80-M144 HydrophobicContact CD2-CE 3.73Å; L80-M144 HydrophobicContact CD2-CG 3.75Å; L80-M144 HydrophobicContact CD2-SD 3.35Å; L80-M144 WeakPolarHBondContact CD2-SD 3.38Å; L80-L187 HydrophobicContact CD2-CD1 3.98Å
81E87Confident90.9Very high90 Ų9046.8 Ų46.842%0.42126%0.263SS..  trans-64.8146.3166.7-63.4-60.8153.400110.2R79 R151R79-E81 IonicContact CZ-OE1 3.79Å; R79-E81 IonicContact NE-OE1 2.7Å; R79-E81 IonicContact NH1-OE1 2.95Å; E81-R151 PolarHBondContact O-NH2 2.87Å
82P84.9Confident91.2Very high80 Ų8046.7 Ų46.752%0.51926%0.262SS..  trans-64.3137.4-178.926.7-30.1000110.2E88P82-E88 HydrophobicContact CB-CB 4.28Å; P82-E88 HydrophobicContact CG-CB 4.37Å
83H79.7Confident91.2Very high64 Ų6446.7 Ų46.730%0.29626%0.262SS..BIsolated β-bridgetrans-158.6141.7-173.1-173.559.9000112.2G85 H86H83-G85 PolarHBondContact O-N 3.17Å; H83-H86 PolarHBondContact N-O 3.48Å; H83-H86 VanDerWaalsContact N-O 3.12Å; H83-H86 WeakPolarHBondContact O-CA 3.43Å; H83-H86 VanDerWaalsContact O-CB 3.28Å; H83-H86 WeakPolarHBondContact O-CB 3.45Å; H83-H86 PolarHBondContact O-N 3.36Å
84D77.8Confident91.2Very high132 Ų13244.4 Ų44.471%0.70625%0.254SS*.THydrogen-bonded Turntrans48.138.5173.6-67.7-8.6000114.7H86D84-H86 PolarHBondContact O-N 2.77Å
85G72.4Confident91.2Very high85 Ų8542.6 Ų42.688%0.87624%0.241SC*.THydrogen-bonded Turntrans78.2-3.1-178.100000114.8H83H83-G85 PolarHBondContact O-N 3.17Å
86H79.4Confident91.1Very high135 Ų13543.3 Ų43.363%0.62524%0.242SC*.BIsolated β-bridgetrans-78.5134.2166.9-65.4-76.7000110.6H83 D84H83-H86 PolarHBondContact N-O 3.48Å; H83-H86 VanDerWaalsContact N-O 3.12Å; H83-H86 WeakPolarHBondContact O-CA 3.43Å; H83-H86 VanDerWaalsContact O-CB 3.28Å; H83-H86 WeakPolarHBondContact O-CB 3.45Å; H83-H86 PolarHBondContact O-N 3.36Å; D84-H86 PolarHBondContact O-N 2.77Å
87P84.6Confident90.7Very high69 Ų6943.6 Ų43.645%0.44824%0.244SC..PPolyproline II helixtrans-66.8163.1176.530.9-35.6000110.5T110P87-T110 HydrophobicContact CG-CG2 4.26Å
88E91Very high90.2Very high26 Ų2642.2 Ų42.212%0.12124%0.236CC..PPolyproline II helixtrans-62.3157.4166.567176165.200111.4L24 D25 R79 L80 P82L24-E88 HydrophobicContact CD2-CG 4.13Å; D25-E88 WeakPolarHBondContact CA-OE1 3.38Å; D25-E88 VanDerWaalsContact CB-OE1 3.28Å; D25-E88 WeakPolarHBondContact CB-OE1 3.37Å; D25-E88 PolarHBondContact N-OE1 2.79Å; R79-E88 IonicContact CZ-OE2 3.39Å; R79-E88 IonicContact NE-OE2 4Å; R79-E88 IonicContact NH2-OE2 3.43Å; R79-E88 PolarHBondContact NH2-OE2 2.8Å; L80-E88 WeakPolarHBondContact O-CA 3.4Å; L80-E88 WeakPolarHBondContact O-CB 3.35Å; P82-E88 HydrophobicContact CB-CB 4.28Å; P82-E88 HydrophobicContact CG-CB 4.37Å
89G94.7Very high89.7Confident0 Ų045.6 Ų45.60%025%0.253CS..EExtended strand (participates in β ladder)trans-168.2-170.7-17700000113L80 L109L80-G89 PolarHBondContact N-O 3Å; L80-G89 PolarHBondContact O-N 2.93Å; G89-L109 CarbonylContact C-O 3.57Å; G89-L109 WeakPolarHBondContact CA-O 3.36Å
90Y97.3Very high89.3Confident25 Ų2544.4 Ų44.410%0.09825%0.253CS..EExtended strand (participates in β ladder)trans-127.5140.6169.6-83.9-92000110.1L22 Q23 L24 V77 T78 R79 L108 L109L22-Y90 HydrophobicContact CB-CD2 3.88Å; L22-Y90 HydrophobicContact CB-CE2 3.75Å; L22-Y90 HydrophobicContact CB-CG 4.33Å; L22-Y90 HydrophobicContact CD1-CG 4.48Å; L22-Y90 HydrophobicContact CD2-CD1 3.8Å; L22-Y90 HydrophobicContact CD2-CD2 4.43Å; L22-Y90 HydrophobicContact CD2-CE1 3.96Å; L22-Y90 HydrophobicContact CD2-CG 4.05Å; Q23-Y90 PolarHBondContact N-OH 2.92Å; Q23-Y90 VanDerWaalsContact O-CE2 3.32Å; Q23-Y90 WeakPolarHBondContact O-CE2 3.35Å; Q23-Y90 PolarHBondContact O-OH 2.83Å; L24-Y90 HydrophobicContact CD1-CD2 4.06Å; L24-Y90 HydrophobicContact CD2-CD2 3.61Å; L24-Y90 HydrophobicContact CD2-CE2 3.72Å; L24-Y90 HydrophobicContact CG-CD2 3.73Å; L24-Y90 HydrophobicContact CG-CE2 3.77Å; V77-Y90 HydrophobicContact CB-CD1 4.46Å; T78-Y90 VanDerWaalsContact O-CA 3.31Å; T78-Y90 WeakPolarHBondContact O-CA 3.22Å; T78-Y90 VanDerWaalsContact O-CD1 3.31Å; T78-Y90 WeakPolarHBondContact O-CD1 3.23Å; R79-Y90 HydrophobicContact CB-CD1 4.37Å; R79-Y90 HydrophobicContact CB-CE1 3.83Å; R79-Y90 HydrophobicContact CG-CE1 4.46Å; R79-Y90 HydrophobicContact CG-CE2 4.27Å; Y90-L108 WeakPolarHBondContact O-CA 3.33Å; Y90-L109 PolarHBondContact N-O 3Å; Y90-L109 PolarHBondContact O-N 3.31Å
91L97.6Very high89.2Confident3 Ų348.5 Ų48.52%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-95.4138.3159.9-66.7166000109.1V77 T78 L80 L106 Y107 L108 L142 M144 C153 L187V77-L91 VanDerWaalsContact CA-O 3.31Å; V77-L91 WeakPolarHBondContact CA-O 3.19Å; T78-L91 HydrophobicContact CG2-CB 4.03Å; T78-L91 HydrophobicContact CG2-CD1 4.26Å; T78-L91 PolarHBondContact N-O 3.32Å; T78-L91 PolarHBondContact O-N 3.14Å; L80-L91 HydrophobicContact CD1-CD1 4.09Å; L80-L91 HydrophobicContact CD1-CD2 4.17Å; L80-L91 HydrophobicContact CD1-CG 3.71Å; L80-L91 HydrophobicContact CD2-CD1 3.86Å; L80-L91 HydrophobicContact CD2-CG 4.31Å; L80-L91 HydrophobicContact CG-CD1 4.13Å; L80-L91 HydrophobicContact CG-CG 4.02Å; L91-L106 HydrophobicContact CB-CD1 4.2Å; L91-L106 HydrophobicContact CD2-CD1 4.31Å; L91-L106 HydrophobicContact CD2-CD2 4.4Å; L91-L106 HydrophobicContact CD2-CG 4.35Å; L91-Y107 CarbonylContact C-O 3.56Å; L91-Y107 VanDerWaalsContact CA-O 3.31Å; L91-Y107 WeakPolarHBondContact CA-O 3.32Å; L91-L108 HydrophobicContact CD2-CB 4.14Å; L91-L108 HydrophobicContact CD2-CD1 3.98Å; L91-L142 HydrophobicContact CB-CD2 3.62Å; L91-M144 HydrophobicContact CD1-SD 3.92Å; L91-C153 WeakPolarHBondContact CD1-SG 3.24Å; L91-L187 HydrophobicContact CD1-CD1 3.75Å; L91-L187 HydrophobicContact CD1-CD2 3.66Å; L91-L187 HydrophobicContact CD1-CG 4.32Å; L91-L187 HydrophobicContact CD2-CD2 4.26Å
92I98.6Very high89.4Confident0 Ų045.4 Ų45.40%026%0.258CS..EExtended strand (participates in β ladder)trans-130116.1-177.7-54.1176.2000107L22 F31 L69 L72 P75 A76 V77 L106 Y107 L109L22-I92 HydrophobicContact CD1-CD1 4.19Å; F31-I92 HydrophobicContact CD1-CD1 4.04Å; F31-I92 HydrophobicContact CE1-CD1 4.01Å; F31-I92 HydrophobicContact CE1-CG2 3.8Å; L69-I92 HydrophobicContact CD2-CD1 4.13Å; L72-I92 HydrophobicContact CD1-CG2 4.12Å; P75-I92 HydrophobicContact CB-CG2 3.77Å; P75-I92 HydrophobicContact CG-CG2 4.16Å; A76-I92 WeakPolarHBondContact O-CA 3.32Å; V77-I92 HydrophobicContact CG1-CG1 4.17Å; V77-I92 HydrophobicContact CG1-CG2 4.28Å; I92-L106 CarbonylContact O-C 3.59Å; I92-L106 WeakPolarHBondContact O-CA 3.29Å; I92-Y107 PolarHBondContact N-O 3.38Å; I92-Y107 PolarHBondContact O-N 2.82Å; I92-L109 HydrophobicContact CD1-CB 4.31Å; I92-L109 HydrophobicContact CD1-CD2 4.37Å
93H98.6Very high89.8Confident0 Ų042.2 Ų42.20%024%0.237CC..EExtended strand (participates in β ladder)trans-120.4136.5179.7180-105.3000111.3A76 S104 L106 H140 L142A76-H93 PolarHBondContact N-O 3.06Å; A76-H93 PolarHBondContact O-N 3Å; H93-S104 PolarHBondContact NE2-O 2.95Å; H93-L106 HydrophobicContact CB-CD1 3.82Å; H93-H140 AromaticContact CE1-NE2 3.9Å; H93-H140 AromaticContact CG-NE2 3.73Å; H93-H140 AromaticContact ND1-CD2 3.58Å; H93-H140 AromaticContact ND1-CE1 3.77Å; H93-H140 AromaticContact ND1-NE2 2.91Å; H93-H140 PolarHBondContact ND1-NE2 2.94Å; H93-H140 PolarHBondContact O-CE1 3.35Å; H93-H140 PolarHBondContact O-NE2 3.39Å; H93-L142 HydrophobicContact CB-CD2 4.27Å
94G98.2Very high90.5Very high0 Ų041.6 Ų41.60%024%0.24CC..  trans66.9-144171.800000114L72 S103 S105 R137L72-G94 WeakPolarHBondContact CD1-O 3.35Å; L72-G94 WeakPolarHBondContact CD2-O 3.33Å; G94-S103 VanDerWaalsContact CA-O 3.23Å; G94-S103 WeakPolarHBondContact CA-O 3.4Å; G94-S105 PolarHBondContact N-O 3.4Å; G94-R137 CarbonylContact C-O 3.53Å; G94-R137 WeakPolarHBondContact CA-O 3.13Å
95G98.1Very high91.3Very high0 Ų036.3 Ų36.30%021%0.214CC..  trans89.3164.4-175.700000113.5R73 I102 S103 R137R73-G95 CarbonylContact O-C 3.6Å; R73-G95 VanDerWaalsContact O-CA 3.28Å; R73-G95 WeakPolarHBondContact O-CA 3.42Å; G95-I102 WeakPolarHBondContact O-CA 3.38Å; G95-S103 PolarHBondContact O-N 2.83Å; G95-R137 PolarHBondContact N-O 2.82Å
96R95.6Very high92.5Very high26 Ų2632.4 Ų32.410%0.09817%0.173CC..BIsolated β-bridgetrans-92.6131.4-179.4-70.4170.671178.91.7110.8L72 R73 N100 E101 I102 Y138 E384L72-R96 CarbonylContact C-O 3.55Å; L72-R96 WeakPolarHBondContact CA-O 3.35Å; R73-R96 HydrophobicContact CB-CB 4.38Å; R73-R96 PolarHBondContact N-O 2.88Å; R73-R96 PolarHBondContact O-N 3.1Å; R96-N100 PolarHBondContact NH2-OD1 3.25Å; R96-E101 CarbonylContact C-O 3.59Å; R96-E101 VanDerWaalsContact CA-O 3.31Å; R96-E101 WeakPolarHBondContact CA-O 3.48Å; R96-I102 HydrophobicContact CG-CG1 4.06Å; R96-Y138 HydrophobicContact CG-CD1 3.92Å; R96-Y138 HydrophobicContact CG-CD2 4.33Å; R96-Y138 HydrophobicContact CG-CE1 4.38Å; R96-Y138 HydrophobicContact CG-CG 3.9Å; R96-E384 IonicContact CZ-OE1 3.24Å; R96-E384 IonicContact NH1-OE1 3.12Å; R96-E384 PolarHBondContact NH1-OE1 2.86Å
97T91.9Very high93.3Very high11 Ų1126.2 Ų26.27%0.06714%0.144CC..  trans-72.4169.2171.673.90000110.6P70 L72 R73 N99 N100 E101P70-T97 HydrophobicContact CB-CG2 4.43Å; L72-T97 HydrophobicContact CD2-CG2 4.23Å; R73-T97 PolarHBondContact NH2-O 2.81Å; T97-N99 PolarHBondContact O-N 3.06Å; T97-N99 VanDerWaalsContact O-N 3.16Å; T97-N99 PolarHBondContact OG1-N 3.02Å; T97-N100 WeakPolarHBondContact O-CA 3.41Å; T97-N100 PolarHBondContact O-N 3.24Å; T97-E101 HydrophobicContact CG2-CB 4.3Å; T97-E101 PolarHBondContact N-O 3.06Å; T97-E101 PolarHBondContact OG1-N 2.79Å; T97-E101 PolarHBondContact OG1-O 3.1Å
98P86.3Confident93.9Very high21 Ų2123.8 Ų23.814%0.13613%0.127CC..THydrogen-bonded Turntrans-56.3-29.3172.7-2937.8000114W36 P71 N100W36-P98 HydrophobicContact CD2-CB 4.26Å; W36-P98 HydrophobicContact CD2-CG 3.98Å; W36-P98 HydrophobicContact CG-CB 4.18Å; W36-P98 HydrophobicContact CG-CG 4.14Å; W36-P98 HydrophobicContact CZ2-CB 4.47Å; W36-P98 HydrophobicContact CZ2-CG 4.41Å; P71-P98 HydrophobicContact CG-CG 3.58Å; P98-N100 PolarHBondContact O-N 2.82Å
99N85.9Confident94.2Very high93 Ų9322.5 Ų22.550%0.49712%0.121SC..THydrogen-bonded Turntrans-81.35.5176.5-66.5-5.2000113.1W36 T97 E101W36-N99 PolarHBondContact NE1-OD1 3.45Å; T97-N99 PolarHBondContact O-N 3.06Å; T97-N99 VanDerWaalsContact O-N 3.16Å; T97-N99 PolarHBondContact OG1-N 3.02Å; N99-E101 PolarHBondContact O-N 3.1Å
100N84.4Confident94.2Very high56 Ų5623.1 Ų23.130%0.29913%0.125SC..SBendtrans66.95.1-174.2-64.5-54.6000115.5R73 R96 T97 P98 Y161R73-N100 PolarHBondContact NH2-OD1 3.23Å; R96-N100 PolarHBondContact NH2-OD1 3.25Å; T97-N100 WeakPolarHBondContact O-CA 3.41Å; T97-N100 PolarHBondContact O-N 3.24Å; P98-N100 PolarHBondContact O-N 2.82Å; N100-Y161 WeakPolarHBondContact O-CE2 3.34Å; N100-Y161 PolarHBondContact O-OH 3.34Å
101E88.9Confident94Very high103 Ų10323.6 Ų23.648%0.48113%0.129SC..PPolyproline II helixtrans-63148.2167.2-64.9161.1-172.700109.9R96 T97 N99R96-E101 CarbonylContact C-O 3.59Å; R96-E101 VanDerWaalsContact CA-O 3.31Å; R96-E101 WeakPolarHBondContact CA-O 3.48Å; T97-E101 HydrophobicContact CG2-CB 4.3Å; T97-E101 PolarHBondContact N-O 3.06Å; T97-E101 PolarHBondContact OG1-N 2.79Å; T97-E101 PolarHBondContact OG1-O 3.1Å; N99-E101 PolarHBondContact O-N 3.1Å
102I91.3Very high93.7Very high24 Ų2427 Ų2712%0.12315%0.147CC..BIsolated β-bridgetrans-100124.9177.5-56171.5000107.7G95 R96 P136 R137 Y138 Y161G95-I102 WeakPolarHBondContact O-CA 3.38Å; R96-I102 HydrophobicContact CG-CG1 4.06Å; I102-P136 HydrophobicContact CB-CB 3.91Å; I102-P136 VanDerWaalsContact CG2-C 3.41Å; I102-P136 HydrophobicContact CG2-CB 3.75Å; I102-P136 WeakPolarHBondContact O-CB 3.31Å; I102-R137 VanDerWaalsContact CG2-C 3.49Å; I102-Y138 HydrophobicContact CD1-CD1 3.91Å; I102-Y138 HydrophobicContact CD1-CE1 4.14Å; I102-Y138 HydrophobicContact CG1-CD1 4.32Å; I102-Y161 HydrophobicContact CD1-CD2 3.48Å; I102-Y161 VanDerWaalsContact CD1-CD2 3.48Å; I102-Y161 HydrophobicContact CD1-CE2 3.64Å; I102-Y161 HydrophobicContact CD1-CG 4.03Å; I102-Y161 HydrophobicContact CG1-CD2 3.88Å; I102-Y161 HydrophobicContact CG1-CE2 3.62Å
103S93Very high93.2Very high13 Ų1329.3 Ų29.39%0.09116%0.163CC..PPolyproline II helixtrans-71.8146.5174.4178.30000110.3G94 G95 S105 P136G94-S103 VanDerWaalsContact CA-O 3.23Å; G94-S103 WeakPolarHBondContact CA-O 3.4Å; G95-S103 PolarHBondContact O-N 2.83Å; S103-S105 PolarHBondContact OG-N 3.46Å; S103-S105 VanDerWaalsContact OG-N 3.1Å; S103-P136 WeakPolarHBondContact O-CA 3.05Å
104S94.4Very high92.6Very high51 Ų5133.8 Ų33.836%0.35718%0.18SC..  trans-112.21.4162.954.20000112.6H93H93-S104 PolarHBondContact NE2-O 2.95Å
105S95.2Very high91.5Very high22 Ų2235.8 Ų35.815%0.15420%0.2CC..  trans-74.9148.2-177.6-61.70000111.6G94 S103 Y107 E126G94-S105 PolarHBondContact N-O 3.4Å; S103-S105 PolarHBondContact OG-N 3.46Å; S103-S105 VanDerWaalsContact OG-N 3.1Å; S105-Y107 VanDerWaalsContact CB-CE2 3.45Å; S105-Y107 WeakPolarHBondContact CB-OH 3.41Å; S105-E126 VanDerWaalsContact CB-OE1 3.23Å; S105-E126 WeakPolarHBondContact CB-OE1 3.42Å; S105-E126 PolarHBondContact OG-OE1 2.8Å
106L97.2Very high90.2Very high2 Ų241.3 Ų41.31%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-104.4126.8168-179.468.9000109L91 I92 H93 E126 R127 L129 L142 I185 L187L91-L106 HydrophobicContact CB-CD1 4.2Å; L91-L106 HydrophobicContact CD2-CD1 4.31Å; L91-L106 HydrophobicContact CD2-CD2 4.4Å; L91-L106 HydrophobicContact CD2-CG 4.35Å; I92-L106 CarbonylContact O-C 3.59Å; I92-L106 WeakPolarHBondContact O-CA 3.29Å; H93-L106 HydrophobicContact CB-CD1 3.82Å; L106-E126 WeakPolarHBondContact O-CA 3.23Å; L106-R127 HydrophobicContact CB-CB 4.35Å; L106-R127 HydrophobicContact CD2-CB 4.09Å; L106-R127 HydrophobicContact CG-CB 4.26Å; L106-R127 PolarHBondContact O-N 2.81Å; L106-L129 HydrophobicContact CB-CD1 4.01Å; L106-L129 HydrophobicContact CB-CD2 4.37Å; L106-L129 HydrophobicContact CB-CG 4.21Å; L106-L129 HydrophobicContact CD2-CD2 3.79Å; L106-L142 HydrophobicContact CD1-CD2 4.35Å; L106-I185 HydrophobicContact CD2-CG2 4.46Å; L106-L187 HydrophobicContact CD2-CD2 4.42Å
107Y97.3Very high89.1Confident6 Ų647.8 Ų47.82%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-116137.6177.9-56.8-89.4000110.3L69 L72 L91 I92 S105 Q125 E126L69-Y107 HydrophobicContact CD1-CD1 3.73Å; L69-Y107 HydrophobicContact CD1-CD2 3.52Å; L69-Y107 HydrophobicContact CD1-CE1 4.08Å; L69-Y107 HydrophobicContact CD1-CE2 3.89Å; L69-Y107 HydrophobicContact CD1-CG 3.43Å; L69-Y107 VanDerWaalsContact CD1-CG 3.43Å; L72-Y107 HydrophobicContact CD1-CD2 4.35Å; L72-Y107 HydrophobicContact CD1-CE2 4.11Å; L91-Y107 CarbonylContact C-O 3.56Å; L91-Y107 VanDerWaalsContact CA-O 3.31Å; L91-Y107 WeakPolarHBondContact CA-O 3.32Å; I92-Y107 PolarHBondContact N-O 3.38Å; I92-Y107 PolarHBondContact O-N 2.82Å; S105-Y107 VanDerWaalsContact CB-CE2 3.45Å; S105-Y107 WeakPolarHBondContact CB-OH 3.41Å; Y107-Q125 CarbonylContact C-O 3.49Å; Y107-Q125 WeakPolarHBondContact CA-O 3.48Å; Y107-E126 HydrophobicContact CD1-CB 4.06Å; Y107-E126 HydrophobicContact CD1-CG 4.36Å; Y107-E126 HydrophobicContact CE1-CB 4.08Å; Y107-E126 HydrophobicContact CE1-CG 4.14Å
108L96.4Very high88.2Confident17 Ų1757.1 Ų57.19%0.08931%0.308CS..EExtended strand (participates in β ladder)trans-101.4115.5168174.464.2000108.9L80 Y90 L91 T110 C124 Q125 R127L80-L108 HydrophobicContact CD1-CD1 3.34Å; Y90-L108 WeakPolarHBondContact O-CA 3.33Å; L91-L108 HydrophobicContact CD2-CB 4.14Å; L91-L108 HydrophobicContact CD2-CD1 3.98Å; L108-T110 HydrophobicContact CD1-CG2 3.84Å; L108-T110 HydrophobicContact CD2-CG2 4.22Å; L108-T110 HydrophobicContact CG-CG2 3.88Å; L108-C124 CarbonylContact O-C 3.54Å; L108-C124 WeakPolarHBondContact O-CA 3.3Å; L108-Q125 PolarHBondContact N-O 2.94Å; L108-Q125 PolarHBondContact O-N 3.28Å; L108-R127 HydrophobicContact CB-CG 4.27Å
109L97.3Very high88.1Confident0 Ų062 Ų620%033%0.327CS..EExtended strand (participates in β ladder)trans-106.1120.2174.1-169.172.2000109.3L22 F62 G89 Y90 I92 L122 R123 C124L22-L109 HydrophobicContact CD1-CD2 3.7Å; F62-L109 HydrophobicContact CE1-CD1 4.02Å; F62-L109 HydrophobicContact CZ-CD1 3.87Å; G89-L109 CarbonylContact C-O 3.57Å; G89-L109 WeakPolarHBondContact CA-O 3.36Å; Y90-L109 PolarHBondContact N-O 3Å; Y90-L109 PolarHBondContact O-N 3.31Å; I92-L109 HydrophobicContact CD1-CB 4.31Å; I92-L109 HydrophobicContact CD1-CD2 4.37Å; L109-L122 HydrophobicContact CD1-CB 4.23Å; L109-L122 HydrophobicContact CD1-CD1 4.4Å; L109-L122 HydrophobicContact CD2-CD1 4.27Å; L109-L122 HydrophobicContact CG-CD1 4.47Å; L109-R123 CarbonylContact C-O 3.54Å; L109-R123 WeakPolarHBondContact CA-O 3.43Å; L109-C124 HydrophobicContact CD1-CB 3.85Å
110T95.6Very high88.3Confident12 Ų1258 Ų587%0.07431%0.307CS..EExtended strand (participates in β ladder)trans-129.3160.1-177.448.70000110.9P87 L108 L122 R123P87-T110 HydrophobicContact CG-CG2 4.26Å; L108-T110 HydrophobicContact CD1-CG2 3.84Å; L108-T110 HydrophobicContact CD2-CG2 4.22Å; L108-T110 HydrophobicContact CG-CG2 3.88Å; T110-L122 CarbonylContact O-C 3.5Å; T110-L122 WeakPolarHBondContact O-CA 3.48Å; T110-R123 PolarHBondContact N-O 3.46Å; T110-R123 PolarHBondContact O-N 3.31Å; T110-R123 PolarHBondContact OG1-O 3.12Å
111L92.4Very high88.7Confident35 Ų3556.5 Ų56.518%0.18330%0.3CS..EExtended strand (participates in β ladder)trans-72.7126.6166.4-176.967.2000108.9D25 R114 V120 L122D25-L111 HydrophobicContact CB-CD2 4Å; L111-R114 HydrophobicContact CD1-CG 4.41Å; L111-R114 HydrophobicContact CD2-CG 4.37Å; L111-V120 HydrophobicContact CD1-CG1 3.4Å; L111-V120 VanDerWaalsContact CD1-CG1 3.4Å; L111-L122 HydrophobicContact CD1-CD2 4.24Å
112D90.8Very high89Confident74 Ų7451.6 Ų51.640%0.39628%0.277SS..EExtended strand (participates in β ladder)trans-94.6-57.2178.1-17765.3000111T121 R123D112-T121 HydrophobicContact CB-CG2 4.29Å; D112-T121 WeakPolarHBondContact CB-O 3.39Å; D112-T121 PolarHBondContact N-O 3.04Å; D112-R123 HydrophobicContact CB-CB 3.9Å
113S87.5Confident89.2Confident50 Ų5054.1 Ų54.135%0.3529%0.285SS..EExtended strand (participates in β ladder)trans-153.2153.2-17653.10000111.8T121S113-T121 PolarHBondContact N-O 3.2Å; S113-T121 PolarHBondContact O-N 2.77Å
114R86.9Confident89.3Confident94 Ų9453.5 Ų53.536%0.35528%0.28SS..EExtended strand (participates in β ladder)trans-113.5107.3167.5-71.2-174.2176-91.48.1108D25 D27 L111 K119 V120D25-R114 VanDerWaalsContact CB-NH2 3.33Å; D25-R114 VanDerWaalsContact CG-NH2 3.27Å; D25-R114 PolarHBondContact O-NH2 2.86Å; D25-R114 IonicContact OD2-CZ 3.64Å; D25-R114 IonicContact OD2-NE 2.92Å; D25-R114 PolarHBondContact OD2-NE 2.63Å; D25-R114 IonicContact OD2-NH2 3.48Å; D25-R114 PolarHBondContact OD2-NH2 3.44Å; D27-R114 IonicContact OD2-CZ 3.7Å; D27-R114 VanDerWaalsContact OD2-CZ 3.24Å; D27-R114 IonicContact OD2-NH1 3.66Å; D27-R114 PolarHBondContact OD2-NH1 3.3Å; D27-R114 IonicContact OD2-NH2 3.74Å; D27-R114 PolarHBondContact OD2-NH2 2.87Å; L111-R114 HydrophobicContact CD1-CG 4.41Å; L111-R114 HydrophobicContact CD2-CG 4.37Å; R114-K119 CarbonylContact C-O 3.56Å; R114-K119 WeakPolarHBondContact CA-O 3.49Å; R114-V120 HydrophobicContact CG-CG2 4.41Å; R114-V120 VanDerWaalsContact NH1-CG2 3.3Å
115G76.1Confident89.2Confident41 Ų4153.4 Ų53.442%0.42327%0.274SS..  trans-75.6-177.7177.100000113R118 K119G115-R118 PolarHBondContact O-N 3.49Å; G115-K119 PolarHBondContact N-O 2.83Å
116C69.9Low89.2Confident117 Ų11754 Ų5479%0.79127%0.274SS*.G310 helixtrans-54.1148.7169.9-61.70000110.3R118 K119C116-R118 VanDerWaalsContact C-N 3.3Å; C116-R118 PolarHBondContact O-N 2.82Å; C116-K119 PolarHBondContact O-N 2.99Å
117N73Confident89Confident162 Ų16258.4 Ų58.487%0.86629%0.291SS*.G310 helixtrans62.624.4-177.4-57.8-29.1000116.2K119N117-K119 PolarHBondContact O-N 2.77Å
118R73.4Confident88.7Confident206 Ų20664.7 Ų64.778%0.77732%0.321SS*.G310 helixtrans60.927-178.4-51-179.5177.4-175.5-1.5113.1G115 C116 V120G115-R118 PolarHBondContact O-N 3.49Å; C116-R118 VanDerWaalsContact C-N 3.3Å; C116-R118 PolarHBondContact O-N 2.82Å; R118-V120 PolarHBondContact O-N 2.85Å
119K83.6Confident88.6Confident123 Ų12364.5 Ų64.554%0.53532%0.32SS..  trans-67.3119171.4-173.6175.9-179.51770108.3R114 G115 C116 N117R114-K119 CarbonylContact C-O 3.56Å; R114-K119 WeakPolarHBondContact CA-O 3.49Å; G115-K119 PolarHBondContact N-O 2.83Å; C116-K119 PolarHBondContact O-N 2.99Å; N117-K119 PolarHBondContact O-N 2.77Å
120V90.7Very high88.4Confident10 Ų1067.3 Ų67.36%0.06134%0.336CS..EExtended strand (participates in β ladder)trans-92.6130.1178.5173.90000109.1F29 L111 R114 R118 L122F29-V120 HydrophobicContact CE1-CG1 4.08Å; F29-V120 HydrophobicContact CZ-CB 4.4Å; F29-V120 HydrophobicContact CZ-CG1 3.81Å; L111-V120 HydrophobicContact CD1-CG1 3.4Å; L111-V120 VanDerWaalsContact CD1-CG1 3.4Å; R114-V120 HydrophobicContact CG-CG2 4.41Å; R114-V120 VanDerWaalsContact NH1-CG2 3.3Å; R118-V120 PolarHBondContact O-N 2.85Å; V120-L122 HydrophobicContact CG1-CD2 3.89Å; V120-L122 HydrophobicContact CG1-CG 4.29Å
121T92.1Very high88.4Confident25 Ų2569.7 Ų69.715%0.15336%0.363CS..EExtended strand (participates in β ladder)trans-110.3130.2166.4-60.10000108.3S61 D112 S113S61-T121 WeakPolarHBondContact O-CA 3.45Å; D112-T121 HydrophobicContact CB-CG2 4.29Å; D112-T121 WeakPolarHBondContact CB-O 3.39Å; D112-T121 PolarHBondContact N-O 3.04Å; S113-T121 PolarHBondContact N-O 3.2Å; S113-T121 PolarHBondContact O-N 2.77Å
122L95Very high88.6Confident0 Ų073.6 Ų73.60%038%0.381CS..EExtended strand (participates in β ladder)trans-100160.2175.8-61.3176.8000110.7L24 F29 V45 I60 S61 F62 S63 L109 T110 L111 V120L24-L122 HydrophobicContact CD1-CD2 4.37Å; F29-L122 HydrophobicContact CD1-CD1 4.06Å; F29-L122 HydrophobicContact CE1-CD1 4.24Å; F29-L122 HydrophobicContact CE1-CD2 4.49Å; F29-L122 HydrophobicContact CG-CD1 4.42Å; F29-L122 HydrophobicContact CZ-CD2 4.33Å; V45-L122 HydrophobicContact CG1-CD1 3.85Å; I60-L122 HydrophobicContact CG2-CB 4.41Å; I60-L122 HydrophobicContact CG2-CD1 3.7Å; I60-L122 HydrophobicContact CG2-CG 3.7Å; S61-L122 PolarHBondContact O-N 2.85Å; F62-L122 CarbonylContact C-O 3.59Å; F62-L122 WeakPolarHBondContact CA-O 3.39Å; F62-L122 HydrophobicContact CD1-CB 3.87Å; F62-L122 HydrophobicContact CE1-CB 3.9Å; F62-L122 HydrophobicContact CE1-CD1 4.27Å; S63-L122 PolarHBondContact N-O 3.26Å; L109-L122 HydrophobicContact CD1-CB 4.23Å; L109-L122 HydrophobicContact CD1-CD1 4.4Å; L109-L122 HydrophobicContact CD2-CD1 4.27Å; L109-L122 HydrophobicContact CG-CD1 4.47Å; T110-L122 CarbonylContact O-C 3.5Å; T110-L122 WeakPolarHBondContact O-CA 3.48Å; L111-L122 HydrophobicContact CD1-CD2 4.24Å; V120-L122 HydrophobicContact CG1-CD2 3.89Å; V120-L122 HydrophobicContact CG1-CG 4.29Å
123R94.7Very high88.8Confident77 Ų7774.4 Ų74.429%0.29138%0.382SS..EExtended strand (participates in β ladder)trans-122.8123.6172.2177.5176.8-172.2-159.64.1110.2S63 D65 S66 L109 T110 D112 Q125S63-R123 WeakPolarHBondContact OG-CB 3.32Å; S63-R123 WeakPolarHBondContact OG-CG 3.47Å; D65-R123 IonicContact OD1-NE 2.7Å; D65-R123 PolarHBondContact OD1-NE 2.85Å; D65-R123 IonicContact OD2-CZ 2.99Å; D65-R123 IonicContact OD2-NE 3.44Å; D65-R123 PolarHBondContact OD2-NE 2.99Å; D65-R123 IonicContact OD2-NH2 2.63Å; D65-R123 PolarHBondContact OD2-NH2 2.82Å; S66-R123 VanDerWaalsContact OG-CA 3.32Å; S66-R123 WeakPolarHBondContact OG-CA 3.36Å; L109-R123 CarbonylContact C-O 3.54Å; L109-R123 WeakPolarHBondContact CA-O 3.43Å; T110-R123 PolarHBondContact N-O 3.46Å; T110-R123 PolarHBondContact O-N 3.31Å; T110-R123 PolarHBondContact OG1-O 3.12Å; D112-R123 HydrophobicContact CB-CB 3.9Å; R123-Q125 HydrophobicContact CG-CG 4.18Å
124C95.5Very high89.2Confident0 Ų072.1 Ų72.10%037%0.366CS..EExtended strand (participates in β ladder)trans-110.9125.4176.8-170.70000110.8F62 S66 C67 L108 L109F62-C124 HydrophobicContact CD2-CB 4.06Å; F62-C124 HydrophobicContact CE2-CB 3.63Å; F62-C124 HydrophobicContact CZ-CB 4.09Å; S66-C124 CarbonylContact C-O 3.55Å; S66-C124 WeakPolarHBondContact CA-O 3.47Å; S66-C124 PolarHBondContact OG-N 3.27Å; C67-C124 PolarHBondContact N-O 2.77Å; C67-C124 PolarHBondContact SG-O 2.94Å; L108-C124 CarbonylContact O-C 3.54Å; L108-C124 WeakPolarHBondContact O-CA 3.3Å; L109-C124 HydrophobicContact CD1-CB 3.85Å
125Q93.8Very high89.4Confident48 Ų4869.2 Ų69.222%0.22437%0.366CS..EExtended strand (participates in β ladder)trans-126.1124.5177-58.3-173-59.100109.9Y107 L108 R123Y107-Q125 CarbonylContact C-O 3.49Å; Y107-Q125 WeakPolarHBondContact CA-O 3.48Å; L108-Q125 PolarHBondContact N-O 2.94Å; L108-Q125 PolarHBondContact O-N 3.28Å; R123-Q125 HydrophobicContact CG-CG 4.18Å
126E94.4Very high90.4Very high34 Ų3470 Ų7016%0.15936%0.364CS..EExtended strand (participates in β ladder)trans-71.6131167-171.8176.4-153.300108.9C67 S105 L106 Y107 C423 L424C67-E126 PolarHBondContact SG-N 2.94Å; S105-E126 VanDerWaalsContact CB-OE1 3.23Å; S105-E126 WeakPolarHBondContact CB-OE1 3.42Å; S105-E126 PolarHBondContact OG-OE1 2.8Å; L106-E126 WeakPolarHBondContact O-CA 3.23Å; Y107-E126 HydrophobicContact CD1-CB 4.06Å; Y107-E126 HydrophobicContact CD1-CG 4.36Å; Y107-E126 HydrophobicContact CE1-CB 4.08Å; Y107-E126 HydrophobicContact CE1-CG 4.14Å; E126-C423 WeakPolarHBondContact OE2-CA 3.46Å; E126-C423 WeakPolarHBondContact OE2-CB 3.22Å; E126-L424 PolarHBondContact OE2-N 2.61Å
127R92.7Very high91.7Very high96 Ų9665 Ų6536%0.36233%0.328SS..EExtended strand (participates in β ladder)trans-99.7124.1176.9-66.5-64.6-177.3163-2.9108.4L106 L108 L129L106-R127 HydrophobicContact CB-CB 4.35Å; L106-R127 HydrophobicContact CD2-CB 4.09Å; L106-R127 HydrophobicContact CG-CB 4.26Å; L106-R127 PolarHBondContact O-N 2.81Å; L108-R127 HydrophobicContact CB-CG 4.27Å; R127-L129 PolarHBondContact O-N 2.92Å
128E90.9Very high93Very high138 Ų13857.7 Ų57.765%0.64529%0.288SS*.PPolyproline II helixtrans-68.4130.4171.5-171.7174.4-175.500109.1V130 L424E128-V130 HydrophobicContact CG-CG1 4.41Å; E128-L424 HydrophobicContact CB-CD1 4.43Å
129L94.2Very high94.1Very high13 Ų1348.3 Ų48.37%0.06826%0.255CS..  trans-107.3142.5174-63.2-175.3000108.8L106 R127 Q133 I185 G190L106-L129 HydrophobicContact CB-CD1 4.01Å; L106-L129 HydrophobicContact CB-CD2 4.37Å; L106-L129 HydrophobicContact CB-CG 4.21Å; L106-L129 HydrophobicContact CD2-CD2 3.79Å; R127-L129 PolarHBondContact O-N 2.92Å; L129-Q133 HydrophobicContact CB-CG 3.88Å; L129-Q133 PolarHBondContact O-NE2 3.31Å; L129-Q133 PolarHBondContact O-OE1 2.7Å; L129-I185 HydrophobicContact CD1-CD1 4.26Å; L129-I185 HydrophobicContact CD2-CG2 3.66Å; L129-G190 WeakPolarHBondContact CA-O 3.19Å
130V93.9Very high94.9Very high58 Ų5842.8 Ų42.835%0.35223%0.232SC..EExtended strand (participates in β ladder)trans-135.2161.2179-620000110.6E128 G190 C192E128-V130 HydrophobicContact CG-CG1 4.41Å; V130-G190 PolarHBondContact N-O 2.91Å; V130-C192 WeakPolarHBondContact O-CB 3.34Å; V130-C192 PolarHBondContact O-N 3.26Å
131G94.5Very high95.2Very high62 Ų6243.1 Ų43.164%0.63923%0.233SC*.EExtended strand (participates in β ladder)trans84-141.3-177.400000113Q133G131-Q133 PolarHBondContact O-N 2.85Å; G131-Q133 VanDerWaalsContact O-N 3.1Å
132E96.3Very high95.5Very high117 Ų11742.2 Ų42.255%0.54723%0.227SC..SBendtrans-86.178.4-176.1-62.9-179.8123.600110.4F183 C192 A194E132-F183 WeakPolarHBondContact O-CD1 3.28Å; E132-C192 PolarHBondContact N-O 3.05Å; E132-C192 VanDerWaalsContact O-CB 3.26Å; E132-C192 WeakPolarHBondContact O-CB 3.41Å; E132-A194 HydrophobicContact CB-CB 3.86Å; E132-A194 PolarHBondContact OE2-N 3.09Å
133Q95.2Very high95.7Very high91 Ų9142.4 Ų42.443%0.42523%0.229SC..PPolyproline II helixtrans-76.2146-172.4-56.8172.542.200112.1L129 G131 G135 C192L129-Q133 HydrophobicContact CB-CG 3.88Å; L129-Q133 PolarHBondContact O-NE2 3.31Å; L129-Q133 PolarHBondContact O-OE1 2.7Å; G131-Q133 PolarHBondContact O-N 2.85Å; G131-Q133 VanDerWaalsContact O-N 3.1Å; Q133-G135 PolarHBondContact O-N 2.81Å; Q133-C192 HydrophobicContact CG-CB 4.28Å
134P95.5Very high95.7Very high2 Ų239.9 Ų39.91%0.01322%0.221CC..PPolyproline II helixtrans-62.7124.2165.327.3-32.5000109.3V155 F183P134-V155 HydrophobicContact CB-CG1 4.2Å; P134-V155 HydrophobicContact CG-CG1 4.42Å; P134-F183 HydrophobicContact CB-CD1 4.06Å; P134-F183 HydrophobicContact CB-CD2 3.95Å; P134-F183 HydrophobicContact CB-CE1 4.2Å; P134-F183 HydrophobicContact CB-CE2 4.13Å; P134-F183 HydrophobicContact CB-CG 3.93Å; P134-F183 HydrophobicContact CB-CZ 4.25Å; P134-F183 HydrophobicContact CG-CD1 4.48Å; P134-F183 HydrophobicContact CG-CG 4.37Å
135G93Very high95.7Very high34 Ų3440.1 Ų40.135%0.35122%0.222SC..PPolyproline II helixtrans-62.4170171.500000113.1Q133 R137Q133-G135 PolarHBondContact O-N 2.81Å; G135-R137 WeakPolarHBondContact O-CG 3.43Å; G135-R137 PolarHBondContact O-N 2.88Å; G135-R137 PolarHBondContact O-NE 3.19Å
136P95.8Very high95.6Very high58 Ų5842 Ų4238%0.37723%0.231SC..SBendtrans-54.5124.7-179.3-17.624.3000112.3I102 S103 S160I102-P136 HydrophobicContact CB-CB 3.91Å; I102-P136 VanDerWaalsContact CG2-C 3.41Å; I102-P136 HydrophobicContact CG2-CB 3.75Å; I102-P136 WeakPolarHBondContact O-CB 3.31Å; S103-P136 WeakPolarHBondContact O-CA 3.05Å; P136-S160 WeakPolarHBondContact O-CB 3.32Å
137R98.1Very high95.6Very high12 Ų1240.8 Ų40.85%0.04523%0.226CC..  trans-152.5159.5-17758.2-175.772.3-152.63.2113.4G94 G95 I102 G135 H140 G157 R159G94-R137 CarbonylContact C-O 3.53Å; G94-R137 WeakPolarHBondContact CA-O 3.13Å; G95-R137 PolarHBondContact N-O 2.82Å; I102-R137 VanDerWaalsContact CG2-C 3.49Å; G135-R137 WeakPolarHBondContact O-CG 3.43Å; G135-R137 PolarHBondContact O-N 2.88Å; G135-R137 PolarHBondContact O-NE 3.19Å; R137-H140 HydrophobicContact CG-CB 4.35Å; R137-H140 PolarHBondContact O-CE1 3.41Å; R137-G157 WeakPolarHBondContact CD-O 3.47Å; R137-G157 PolarHBondContact NH1-O 3.44Å; R137-R159 CarbonylContact C-O 3.56Å; R137-R159 WeakPolarHBondContact CA-O 3.19Å
138Y98.7Very high95.5Very high8 Ų842.3 Ų42.33%0.03124%0.241CC..BIsolated β-bridgetrans-138.8159.5172.474.2-77.8000111C74 R96 I102 H140 G158 R159 V175 F206C74-Y138 HydrophobicContact CB-CD2 3.98Å; R96-Y138 HydrophobicContact CG-CD1 3.92Å; R96-Y138 HydrophobicContact CG-CD2 4.33Å; R96-Y138 HydrophobicContact CG-CE1 4.38Å; R96-Y138 HydrophobicContact CG-CG 3.9Å; I102-Y138 HydrophobicContact CD1-CD1 3.91Å; I102-Y138 HydrophobicContact CD1-CE1 4.14Å; I102-Y138 HydrophobicContact CG1-CD1 4.32Å; Y138-H140 PolarHBondContact O-N 3.28Å; Y138-G158 CarbonylContact O-C 3.53Å; Y138-G158 VanDerWaalsContact O-CA 3.28Å; Y138-G158 WeakPolarHBondContact O-CA 3.31Å; Y138-R159 HydrophobicContact CD1-CB 4.23Å; Y138-R159 VanDerWaalsContact CD1-O 3.31Å; Y138-R159 WeakPolarHBondContact CD1-O 3.49Å; Y138-R159 HydrophobicContact CE1-CB 3.69Å; Y138-R159 PolarHBondContact N-O 2.96Å; Y138-R159 PolarHBondContact O-N 2.64Å; Y138-V175 HydrophobicContact CE1-CG1 4.18Å; Y138-F206 HydrophobicContact CD2-CZ 4.17Å; Y138-F206 AromaticContact CE2-CZ 3.84Å; Y138-F206 HydrophobicContact CE2-CZ 3.84Å
139G98.4Very high95.3Very high8 Ų838.5 Ų38.58%0.08224%0.239CC..SBendtrans66.814.5-17600000113.8C74 S205 F206C74-G139 PolarHBondContact O-N 3.3Å; G139-S205 CarbonylContact O-C 3.55Å; G139-F206 PolarHBondContact O-N 3.1Å
140H98.8Very high95.1Very high8 Ų842.4 Ų42.44%0.03726%0.256CS..  trans-82.8173.5166.658.7-64.1000110.6A76 H93 R137 Y138 F156 G157A76-H140 WeakPolarHBondContact CB-CD2 3.22Å; A76-H140 WeakPolarHBondContact CB-NE2 3.21Å; A76-H140 WeakPolarHBondContact CB-O 3.38Å; H93-H140 AromaticContact CE1-NE2 3.9Å; H93-H140 AromaticContact CG-NE2 3.73Å; H93-H140 AromaticContact ND1-CD2 3.58Å; H93-H140 AromaticContact ND1-CE1 3.77Å; H93-H140 AromaticContact ND1-NE2 2.91Å; H93-H140 PolarHBondContact ND1-NE2 2.94Å; H93-H140 PolarHBondContact O-CE1 3.35Å; H93-H140 PolarHBondContact O-NE2 3.39Å; R137-H140 HydrophobicContact CG-CB 4.35Å; R137-H140 PolarHBondContact O-CE1 3.41Å; Y138-H140 PolarHBondContact O-N 3.28Å; H140-F156 VanDerWaalsContact CB-O 3.31Å; H140-F156 WeakPolarHBondContact CB-O 3.31Å; H140-G157 VanDerWaalsContact CB-O 3.25Å; H140-G157 WeakPolarHBondContact CB-O 3.44Å
141T98.8Very high95Very high16 Ų1642.6 Ų42.610%0.09825%0.25CC..EExtended strand (participates in β ladder)trans-112.4157172.859.70000111.6V155 F156 H207 A209T141-V155 WeakPolarHBondContact O-CA 3.31Å; T141-F156 PolarHBondContact N-O 2.82Å; T141-F156 PolarHBondContact O-N 2.87Å; T141-H207 VanDerWaalsContact CG2-CD2 3.46Å; T141-H207 WeakPolarHBondContact CG2-CD2 3.33Å; T141-H207 VanDerWaalsContact CG2-NE2 3.34Å; T141-H207 WeakPolarHBondContact CG2-NE2 3.17Å; T141-H207 WeakPolarHBondContact CG2-O 3.31Å; T141-H207 PolarHBondContact OG1-NE2 3.1Å; T141-A209 HydrophobicContact CG2-CB 3.74Å
142L98.3Very high95Very high6 Ų639.8 Ų39.83%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-135.7127.2176.317972.2000106.2A76 T78 L91 H93 L106 C153 V154 V155A76-L142 HydrophobicContact CB-CB 3.56Å; T78-L142 WeakPolarHBondContact CB-O 3.32Å; T78-L142 HydrophobicContact CG2-CD2 3.75Å; T78-L142 HydrophobicContact CG2-CG 3.7Å; T78-L142 PolarHBondContact OG1-O 3.24Å; L91-L142 HydrophobicContact CB-CD2 3.62Å; H93-L142 HydrophobicContact CB-CD2 4.27Å; L106-L142 HydrophobicContact CD1-CD2 4.35Å; L142-C153 HydrophobicContact CD1-CB 3.71Å; L142-V154 CarbonylContact C-O 3.58Å; L142-V154 VanDerWaalsContact CA-O 3.32Å; L142-V154 WeakPolarHBondContact CA-O 3.35Å; L142-V155 HydrophobicContact CD1-CG2 3.29Å
143S97.9Very high95Very high5 Ų534.2 Ų34.24%0.03520%0.195CC..EExtended strand (participates in β ladder)trans-135.9133.4-175.2-72.20000110.8C153 V154 A209S143-C153 CarbonylContact O-C 3.57Å; S143-C153 WeakPolarHBondContact O-CA 3.47Å; S143-V154 PolarHBondContact N-O 2.77Å; S143-V154 PolarHBondContact O-N 3.45Å; S143-A209 WeakPolarHBondContact OG-CB 3.26Å
144M95.6Very high95.2Very high24 Ų2429.9 Ų29.912%0.11817%0.174CC..EExtended strand (participates in β ladder)trans-78.4132.4169.5-71.5-55.6-55.100110.7T78 L80 L91 R151 C153 L187 A211T78-M144 HydrophobicContact CG2-CG 3.73Å; T78-M144 HydrophobicContact CG2-SD 4.16Å; L80-M144 HydrophobicContact CD2-CE 3.73Å; L80-M144 HydrophobicContact CD2-CG 3.75Å; L80-M144 HydrophobicContact CD2-SD 3.35Å; L80-M144 WeakPolarHBondContact CD2-SD 3.38Å; L91-M144 HydrophobicContact CD1-SD 3.92Å; M144-R151 HydrophobicContact CE-CB 4.1Å; M144-C153 HydrophobicContact SD-CB 4.48Å; M144-C153 PolarHBondContact SD-SG 2.81Å; M144-L187 HydrophobicContact CE-CD1 3.65Å; M144-L187 HydrophobicContact SD-CD1 3.89Å; M144-A211 WeakPolarHBondContact O-CB 3.21Å
145V95.3Very high95.3Very high4 Ų429.8 Ų29.82%0.02417%0.174CC..EExtended strand (participates in β ladder)trans-120.8150.3168.7-65.90000110.4R151 A152 V154 D213 V216 V238V145-R151 WeakPolarHBondContact O-CA 3.32Å; V145-A152 HydrophobicContact CG2-CB 4.18Å; V145-A152 WeakPolarHBondContact CG2-O 3.36Å; V145-A152 PolarHBondContact N-O 3.29Å; V145-A152 PolarHBondContact O-N 3.31Å; V145-A152 VanDerWaalsContact O-N 3.1Å; V145-V154 HydrophobicContact CG1-CG2 3.75Å; V145-V154 HydrophobicContact CG2-CG2 3.91Å; V145-D213 CarbonylContact C-O 3.44Å; V145-D213 WeakPolarHBondContact CA-O 3.39Å; V145-V216 HydrophobicContact CG1-CG2 3.33Å; V145-V238 HydrophobicContact CG1-CG2 4.4Å; V145-V238 HydrophobicContact CG2-CB 4.14Å; V145-V238 HydrophobicContact CG2-CG1 4.06Å; V145-V238 HydrophobicContact CG2-CG2 4.49Å
146Q92.6Very high95.6Very high87 Ų8728.2 Ų28.241%0.40716%0.157SC..EExtended strand (participates in β ladder)trans-129.3125173.9-173.7173.11100109.7K150 R151 D213 D214Q146-K150 CarbonylContact C-O 3.56Å; Q146-K150 VanDerWaalsContact CA-O 3.28Å; Q146-K150 WeakPolarHBondContact CA-O 3.41Å; Q146-K150 WeakPolarHBondContact CG-O 3.4Å; Q146-R151 HydrophobicContact CB-CG 4.36Å; Q146-R151 HydrophobicContact CG-CG 4.12Å; Q146-D213 PolarHBondContact N-O 3.34Å; Q146-D213 CarbonylContact O-C 3.2Å; Q146-D214 PolarHBondContact O-N 3.13Å
147S93.6Very high95.7Very high9 Ų925.5 Ų25.56%0.06314%0.139CC..EExtended strand (participates in β ladder)trans-143.7130.1-178.8-177.60000109.7G149 K150 V238 E239 L240S147-G149 PolarHBondContact O-N 3.47Å; S147-G149 VanDerWaalsContact O-N 3.12Å; S147-K150 PolarHBondContact N-O 3.39Å; S147-K150 PolarHBondContact O-N 3.45Å; S147-V238 VanDerWaalsContact CB-O 3.28Å; S147-V238 WeakPolarHBondContact CB-O 3.16Å; S147-V238 PolarHBondContact OG-O 2.89Å; S147-E239 WeakPolarHBondContact OG-CA 3.49Å; S147-L240 PolarHBondContact OG-N 2.84Å
148L90.6Very high95.7Very high128 Ų12824.9 Ų24.967%0.6714%0.137SC*.THydrogen-bonded Turntrans51.836.1178.9-56174.5000113.8K150 L241L148-K150 PolarHBondContact O-N 3.22Å; L148-L241 HydrophobicContact CD1-CD2 3.89Å
149G87.3Confident95.7Very high59 Ų5926.2 Ų26.261%0.60814%0.142SC*.THydrogen-bonded Turntrans78.5-3.1-17800000115.1S147S147-G149 PolarHBondContact O-N 3.47Å; S147-G149 VanDerWaalsContact O-N 3.12Å
150K90Very high95.6Very high95 Ų9527.2 Ų27.241%0.41315%0.148SC..EExtended strand (participates in β ladder)trans-97157.4174-58.2-177.9-166.4158.60110.9Q146 S147 L148 L240 L241Q146-K150 CarbonylContact C-O 3.56Å; Q146-K150 VanDerWaalsContact CA-O 3.28Å; Q146-K150 WeakPolarHBondContact CA-O 3.41Å; Q146-K150 WeakPolarHBondContact CG-O 3.4Å; S147-K150 PolarHBondContact N-O 3.39Å; S147-K150 PolarHBondContact O-N 3.45Å; L148-K150 PolarHBondContact O-N 3.22Å; K150-L240 HydrophobicContact CB-CB 4.02Å; K150-L240 HydrophobicContact CB-CD1 3.81Å; K150-L240 HydrophobicContact CD-CB 4.19Å; K150-L240 WeakPolarHBondContact CD-O 3.07Å; K150-L240 PolarHBondContact NZ-O 3.44Å; K150-L241 VanDerWaalsContact NZ-C 3.35Å; K150-L241 PolarHBondContact NZ-O 3.33Å
151R91.1Very high95.3Very high62 Ų6228.2 Ų28.223%0.23415%0.152CC..EExtended strand (participates in β ladder)trans-125.1143.3178.4-62.6174.570.1-172.87.7110.1E81 M144 V145 Q146E81-R151 PolarHBondContact O-NH2 2.87Å; M144-R151 HydrophobicContact CE-CB 4.1Å; V145-R151 WeakPolarHBondContact O-CA 3.32Å; Q146-R151 HydrophobicContact CB-CG 4.36Å; Q146-R151 HydrophobicContact CG-CG 4.12Å
152A94.8Very high94.8Very high3 Ų329.4 Ų29.43%0.02516%0.156CC..EExtended strand (participates in β ladder)trans-145.5163.8172.300000109.7V145 I184 I185 L240V145-A152 HydrophobicContact CG2-CB 4.18Å; V145-A152 WeakPolarHBondContact CG2-O 3.36Å; V145-A152 PolarHBondContact N-O 3.29Å; V145-A152 PolarHBondContact O-N 3.31Å; V145-A152 VanDerWaalsContact O-N 3.1Å; A152-I184 HydrophobicContact CB-CG2 3.79Å; A152-I185 WeakPolarHBondContact CA-O 3.44Å; A152-L240 HydrophobicContact CB-CD1 3.85Å; A152-L240 HydrophobicContact CB-CD2 3.85Å
153C96.3Very high94.3Very high0 Ų032.4 Ų32.40%018%0.176CC..EExtended strand (participates in β ladder)trans-100.1140.7167.4-55.60000110.7L91 L142 S143 M144 I184 I185 L187L91-C153 WeakPolarHBondContact CD1-SG 3.24Å; L142-C153 HydrophobicContact CD1-CB 3.71Å; S143-C153 CarbonylContact O-C 3.57Å; S143-C153 WeakPolarHBondContact O-CA 3.47Å; M144-C153 HydrophobicContact SD-CB 4.48Å; M144-C153 PolarHBondContact SD-SG 2.81Å; C153-I184 CarbonylContact O-C 3.58Å; C153-I184 WeakPolarHBondContact O-CA 3.1Å; C153-I185 HydrophobicContact CB-CB 4.13Å; C153-I185 PolarHBondContact N-O 3.24Å; C153-I185 PolarHBondContact O-N 2.89Å; C153-L187 VanDerWaalsContact SG-CD2 3.54Å
154V98.5Very high93.4Very high0 Ų036.5 Ų36.50%021%0.211CC..EExtended strand (participates in β ladder)trans-102.2126168.4-178.20000108.1L142 S143 V145 V182 F183 I184 V216 F218 L236 V238L142-V154 CarbonylContact C-O 3.58Å; L142-V154 VanDerWaalsContact CA-O 3.32Å; L142-V154 WeakPolarHBondContact CA-O 3.35Å; S143-V154 PolarHBondContact N-O 2.77Å; S143-V154 PolarHBondContact O-N 3.45Å; V145-V154 HydrophobicContact CG1-CG2 3.75Å; V145-V154 HydrophobicContact CG2-CG2 3.91Å; V154-V182 HydrophobicContact CG1-CG1 3.74Å; V154-F183 CarbonylContact C-O 3.57Å; V154-F183 WeakPolarHBondContact CA-O 3.3Å; V154-I184 HydrophobicContact CG2-CD1 3.86Å; V154-V216 HydrophobicContact CB-CG2 4.26Å; V154-V216 HydrophobicContact CG2-CG2 3.97Å; V154-F218 HydrophobicContact CG1-CZ 4.02Å; V154-L236 HydrophobicContact CG1-CD2 3.62Å; V154-L236 HydrophobicContact CG2-CD2 4.42Å; V154-V238 HydrophobicContact CG2-CG2 3.88Å
155V98.7Very high92.9Very high0 Ų039.3 Ų39.30%025%0.246CC..EExtended strand (participates in β ladder)trans-113.7131.8170.21720000109.3P134 T141 L142 F183 I185P134-V155 HydrophobicContact CB-CG1 4.2Å; P134-V155 HydrophobicContact CG-CG1 4.42Å; T141-V155 WeakPolarHBondContact O-CA 3.31Å; L142-V155 HydrophobicContact CD1-CG2 3.29Å; V155-F183 HydrophobicContact CB-CB 4.14Å; V155-F183 HydrophobicContact CG1-CD2 4.49Å; V155-F183 PolarHBondContact N-O 2.94Å; V155-F183 PolarHBondContact O-N 2.87Å; V155-I185 HydrophobicContact CG2-CD1 3.85Å
156F98.7Very high92.4Very high1 Ų144.9 Ų44.90%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-145142.1179.5-178.6-120.8000113.7H140 T141 P180 V182 L200 Q204 H207 F218H140-F156 VanDerWaalsContact CB-O 3.31Å; H140-F156 WeakPolarHBondContact CB-O 3.31Å; T141-F156 PolarHBondContact N-O 2.82Å; T141-F156 PolarHBondContact O-N 2.87Å; F156-P180 HydrophobicContact CE2-CB 4.22Å; F156-V182 HydrophobicContact CD2-CG2 3.9Å; F156-V182 HydrophobicContact CE2-CG2 4.44Å; F156-L200 HydrophobicContact CD2-CD1 4.27Å; F156-L200 HydrophobicContact CE1-CD2 4.41Å; F156-L200 HydrophobicContact CE2-CB 4.46Å; F156-L200 HydrophobicContact CE2-CD1 3.65Å; F156-L200 HydrophobicContact CE2-CG 4.44Å; F156-L200 HydrophobicContact CZ-CB 4.4Å; F156-L200 HydrophobicContact CZ-CD1 3.85Å; F156-L200 HydrophobicContact CZ-CD2 3.91Å; F156-L200 HydrophobicContact CZ-CG 4.27Å; F156-Q204 HydrophobicContact CE1-CG 3.86Å; F156-Q204 HydrophobicContact CZ-CG 4.15Å; F156-H207 AromaticContact CD1-CE1 3.89Å; F156-H207 AromaticContact CD1-NE2 3.55Å; F156-H207 PolarHBondContact O-CE1 3.25Å; F156-H207 VanDerWaalsContact O-CE1 3.29Å; F156-F218 HydrophobicContact CB-CD1 4.47Å; F156-F218 HydrophobicContact CB-CE1 3.68Å; F156-F218 HydrophobicContact CB-CE2 4.23Å; F156-F218 HydrophobicContact CB-CZ 3.54Å; F156-F218 AromaticContact CD1-CD1 3.78Å; F156-F218 HydrophobicContact CD1-CD1 3.78Å; F156-F218 AromaticContact CD1-CD2 3.79Å; F156-F218 HydrophobicContact CD1-CD2 3.79Å; F156-F218 AromaticContact CD1-CE1 3.81Å; F156-F218 HydrophobicContact CD1-CE1 3.81Å; F156-F218 AromaticContact CD1-CE2 3.81Å; F156-F218 HydrophobicContact CD1-CE2 3.81Å; F156-F218 AromaticContact CD1-CG 3.77Å; F156-F218 HydrophobicContact CD1-CG 3.77Å; F156-F218 AromaticContact CD1-CZ 3.83Å; F156-F218 HydrophobicContact CD1-CZ 3.83Å; F156-F218 HydrophobicContact CE1-CD2 4.1Å; F156-F218 HydrophobicContact CE1-CE2 4.42Å; F156-F218 HydrophobicContact CE1-CG 4.19Å; F156-F218 HydrophobicContact CG-CD2 4.5Å; F156-F218 HydrophobicContact CG-CE1 4.13Å; F156-F218 HydrophobicContact CG-CE2 4.08Å; F156-F218 AromaticContact CG-CZ 3.88Å; F156-F218 HydrophobicContact CG-CZ 3.88Å
157G98.3Very high92.2Very high0 Ų043.8 Ų43.80%026%0.264CS..  trans71.2-149.6173.300000114.9R137 H140 Q204R137-G157 WeakPolarHBondContact CD-O 3.47Å; R137-G157 PolarHBondContact NH1-O 3.44Å; H140-G157 VanDerWaalsContact CB-O 3.25Å; H140-G157 WeakPolarHBondContact CB-O 3.44Å; G157-Q204 CarbonylContact C-O 3.56Å; G157-Q204 WeakPolarHBondContact CA-O 3.23Å
158G98.4Very high91.6Very high0 Ų045.7 Ų45.70%028%0.277CS..  trans95.5176-178.200000114.1Y138 C178 Q204Y138-G158 CarbonylContact O-C 3.53Å; Y138-G158 VanDerWaalsContact O-CA 3.28Å; Y138-G158 WeakPolarHBondContact O-CA 3.31Å; G158-C178 PolarHBondContact O-N 2.74Å; G158-Q204 PolarHBondContact N-O 2.91Å
159R98.3Very high91.3Very high36 Ų3645.9 Ų45.914%0.13628%0.284CS..EExtended strand (participates in β ladder)trans-113.5150.5174.6-67.5-179.2-173178.83111.1R137 Y138 V175 V176 D177 S205 H222R137-R159 CarbonylContact C-O 3.56Å; R137-R159 WeakPolarHBondContact CA-O 3.19Å; Y138-R159 HydrophobicContact CD1-CB 4.23Å; Y138-R159 VanDerWaalsContact CD1-O 3.31Å; Y138-R159 WeakPolarHBondContact CD1-O 3.49Å; Y138-R159 HydrophobicContact CE1-CB 3.69Å; Y138-R159 PolarHBondContact N-O 2.96Å; Y138-R159 PolarHBondContact O-N 2.64Å; R159-V175 HydrophobicContact CB-CB 4.43Å; R159-V176 VanDerWaalsContact CA-O 3.26Å; R159-V176 WeakPolarHBondContact CA-O 3.13Å; R159-D177 VanDerWaalsContact CG-OD1 3.31Å; R159-D177 WeakPolarHBondContact CG-OD1 3.44Å; R159-D177 IonicContact NE-OD1 2.81Å; R159-S205 WeakPolarHBondContact CG-OG 3.19Å; R159-S205 PolarHBondContact NE-OG 2.71Å; R159-H222 PolarHBondContact NH2-CE1 3.17Å; R159-H222 VanDerWaalsContact NH2-CE1 3.32Å; R159-H222 PolarHBondContact NH2-ND1 3.21Å
160S96.6Very high91.2Very high29 Ų2951.9 Ų51.920%0.20330%0.296CS..EExtended strand (participates in β ladder)trans-130.2166.4168.863.70000109.8P136 V175 V176P136-S160 WeakPolarHBondContact O-CB 3.32Å; S160-V175 CarbonylContact O-C 3.55Å; S160-V175 WeakPolarHBondContact O-CA 3.39Å; S160-V175 WeakPolarHBondContact O-CB 3.23Å; S160-V176 PolarHBondContact N-O 3.27Å; S160-V176 PolarHBondContact O-N 2.88Å
161Y92.6Very high90.9Very high29 Ų2949.2 Ų49.211%0.11429%0.286CS..EExtended strand (participates in β ladder)trans-61.3156.2163.7-70.7-56.6000110.8N100 I102 V175N100-Y161 WeakPolarHBondContact O-CE2 3.34Å; N100-Y161 PolarHBondContact O-OH 3.34Å; I102-Y161 HydrophobicContact CD1-CD2 3.48Å; I102-Y161 VanDerWaalsContact CD1-CD2 3.48Å; I102-Y161 HydrophobicContact CD1-CE2 3.64Å; I102-Y161 HydrophobicContact CD1-CG 4.03Å; I102-Y161 HydrophobicContact CG1-CD2 3.88Å; I102-Y161 HydrophobicContact CG1-CE2 3.62Å; Y161-V175 HydrophobicContact CD1-CG1 3.82Å; Y161-V175 HydrophobicContact CE1-CG1 3.91Å
162M87.8Confident90.5Very high40 Ų4053 Ų5320%0.19730%0.3CS..PPolyproline II helixtrans-52.1150169.4-70.7-173.878.100111E166 R167 S174 V176M162-E166 HydrophobicContact CE-CB 4.01Å; M162-R167 HydrophobicContact CB-CG 3.74Å; M162-R167 WeakPolarHBondContact O-CD 3.41Å; M162-R167 WeakPolarHBondContact O-CG 3.33Å; M162-S174 PolarHBondContact N-O 3.29Å; M162-S174 VanDerWaalsContact N-O 3.12Å; M162-V176 HydrophobicContact CG-CG1 3.93Å
163P87.1Confident90Very high69 Ų6955.5 Ų55.545%0.44831%0.313SS..PPolyproline II helixtrans-55.4146.1176-25.234.8000112G165 E166 R167P163-G165 PolarHBondContact O-N 2.93Å; P163-E166 PolarHBondContact O-N 2.7Å; P163-R167 PolarHBondContact O-N 3.22Å
164A80.4Confident89.8Confident92 Ų9257.9 Ų57.976%0.7633%0.33SS*.THydrogen-bonded Turntrans-57.2-28.7-175.400000113.9E166A164-E166 VanDerWaalsContact C-N 3.28Å; A164-E166 PolarHBondContact O-N 2.69Å
165G84.9Confident89.6Confident83 Ų8359 Ų5986%0.85634%0.337SS*.THydrogen-bonded Turntrans-72.9-15.2176.200000115P163P163-G165 PolarHBondContact O-N 2.93Å
166E84.9Confident89.5Confident121 Ų12161.5 Ų61.557%0.56535%0.352SS*.THydrogen-bonded Turntrans-111.4-5.3-178.5-62.9174-158.600112.4M162 P163 A164 N171M162-E166 HydrophobicContact CE-CB 4.01Å; P163-E166 PolarHBondContact O-N 2.7Å; A164-E166 VanDerWaalsContact C-N 3.28Å; A164-E166 PolarHBondContact O-N 2.69Å; E166-N171 PolarHBondContact O-ND2 3.46Å
167R86.4Confident89.5Confident63 Ų6362.7 Ų62.724%0.23836%0.359CS..  trans-84.5129.9178.4-75.8177.672.6-172.99.2111.8M162 P163 N171 W172M162-R167 HydrophobicContact CB-CG 3.74Å; M162-R167 WeakPolarHBondContact O-CD 3.41Å; M162-R167 WeakPolarHBondContact O-CG 3.33Å; P163-R167 PolarHBondContact O-N 3.22Å; R167-N171 WeakPolarHBondContact CA-OD1 3.42Å; R167-W172 VanDerWaalsContact CZ-O 3.27Å; R167-W172 PolarHBondContact NE-O 3.19Å; R167-W172 VanDerWaalsContact NE-O 3.12Å; R167-W172 VanDerWaalsContact NH2-CD2 3.33Å; R167-W172 PolarHBondContact NH2-O 2.71Å
168S82.6Confident89.5Confident50 Ų5062.8 Ų62.835%0.3536%0.359SS..  trans-115.3176167.979.20000109.5E170 N171 W172S168-E170 PolarHBondContact O-N 3.24Å; S168-E170 PolarHBondContact OG-N 3.06Å; S168-E170 VanDerWaalsContact OG-N 3.16Å; S168-N171 PolarHBondContact N-OD1 2.9Å; S168-N171 PolarHBondContact O-OD1 2.88Å; S168-N171 PolarHBondContact OG-N 2.87Å; S168-N171 PolarHBondContact OG-OD1 2.96Å; S168-W172 VanDerWaalsContact O-CA 3.32Å; S168-W172 WeakPolarHBondContact O-CA 3.46Å; S168-W172 WeakPolarHBondContact O-CB 3.42Å; S168-W172 PolarHBondContact O-N 3.29Å; S168-W172 VanDerWaalsContact O-N 3.14Å
169T83.9Confident89.4Confident132 Ų13266.8 Ų66.881%0.8139%0.385SS*.SBendtrans-67.7-22.4172.848.80000113
170E85.8Confident89.3Confident185 Ų18566.2 Ų66.286%0.86439%0.386SS*.SBendtrans-82.5-36.7-177.9-64177.2171.500111.8S168S168-E170 PolarHBondContact O-N 3.24Å; S168-E170 PolarHBondContact OG-N 3.06Å; S168-E170 VanDerWaalsContact OG-N 3.16Å
171N82.4Confident89.3Confident39 Ų3967.9 Ų67.921%0.20939%0.391CS..SBendtrans-105.423.1177.872.23000111.9E166 R167 S168 N173 S174E166-N171 PolarHBondContact O-ND2 3.46Å; R167-N171 WeakPolarHBondContact CA-OD1 3.42Å; S168-N171 PolarHBondContact N-OD1 2.9Å; S168-N171 PolarHBondContact O-OD1 2.88Å; S168-N171 PolarHBondContact OG-N 2.87Å; S168-N171 PolarHBondContact OG-OD1 2.96Å; N171-N173 PolarHBondContact O-N 3.48Å; N171-N173 VanDerWaalsContact O-N 3.1Å; N171-S174 WeakPolarHBondContact CA-OG 3.45Å; N171-S174 WeakPolarHBondContact CB-OG 3.45Å; N171-S174 VanDerWaalsContact O-CB 3.27Å; N171-S174 WeakPolarHBondContact O-CB 3.32Å; N171-S174 PolarHBondContact O-N 3.24Å; N171-S174 PolarHBondContact O-OG 2.64Å
172W82.8Confident89.6Confident140 Ų14066.5 Ų66.553%0.5339%0.386SS..THydrogen-bonded Turntrans-56.6-35.8-170.8-175.2-101.7000112.8R167 S168R167-W172 VanDerWaalsContact CZ-O 3.27Å; R167-W172 PolarHBondContact NE-O 3.19Å; R167-W172 VanDerWaalsContact NE-O 3.12Å; R167-W172 VanDerWaalsContact NH2-CD2 3.33Å; R167-W172 PolarHBondContact NH2-O 2.71Å; S168-W172 VanDerWaalsContact O-CA 3.32Å; S168-W172 WeakPolarHBondContact O-CA 3.46Å; S168-W172 WeakPolarHBondContact O-CB 3.42Å; S168-W172 PolarHBondContact O-N 3.29Å; S168-W172 VanDerWaalsContact O-N 3.14Å
173N85.3Confident90.1Very high56 Ų5665 Ų6530%0.29938%0.378SS..THydrogen-bonded Turntrans-97.83.6179.9-65.8-34.8000113.4N171 L385N171-N173 PolarHBondContact O-N 3.48Å; N171-N173 VanDerWaalsContact O-N 3.1Å; N173-L385 VanDerWaalsContact ND2-CD2 3.34Å; N173-L385 WeakPolarHBondContact ND2-CD2 3.25Å
174S90.8Very high90.7Very high50 Ų5062.1 Ų62.135%0.3536%0.358SS..  trans-66.9136.5178.3-61.10000110.9M162 N171M162-S174 PolarHBondContact N-O 3.29Å; M162-S174 VanDerWaalsContact N-O 3.12Å; N171-S174 WeakPolarHBondContact CA-OG 3.45Å; N171-S174 WeakPolarHBondContact CB-OG 3.45Å; N171-S174 VanDerWaalsContact O-CB 3.27Å; N171-S174 WeakPolarHBondContact O-CB 3.32Å; N171-S174 PolarHBondContact O-N 3.24Å; N171-S174 PolarHBondContact O-OG 2.64Å
175V95.7Very high91.4Very high25 Ų2557.7 Ų57.715%0.15232%0.322CS..EExtended strand (participates in β ladder)trans-116.5155.7-176.7-64.60000111Y138 R159 S160 Y161 L224Y138-V175 HydrophobicContact CE1-CG1 4.18Å; R159-V175 HydrophobicContact CB-CB 4.43Å; S160-V175 CarbonylContact O-C 3.55Å; S160-V175 WeakPolarHBondContact O-CA 3.39Å; S160-V175 WeakPolarHBondContact O-CB 3.23Å; Y161-V175 HydrophobicContact CD1-CG1 3.82Å; Y161-V175 HydrophobicContact CE1-CG1 3.91Å; V175-L224 HydrophobicContact CG2-CD2 4.05Å; V175-L224 VanDerWaalsContact O-CD2 3.27Å; V175-L224 WeakPolarHBondContact O-CD2 3.31Å
176V96.6Very high91.7Very high52 Ų5256.4 Ų56.432%0.31530%0.296SS..EExtended strand (participates in β ladder)trans-129.7151.1173.2-66.40000108.5R159 S160 M162R159-V176 VanDerWaalsContact CA-O 3.26Å; R159-V176 WeakPolarHBondContact CA-O 3.13Å; S160-V176 PolarHBondContact N-O 3.27Å; S160-V176 PolarHBondContact O-N 2.88Å; M162-V176 HydrophobicContact CG-CG1 3.93Å
177D97.9Very high91.7Very high25 Ų2552.9 Ų52.913%0.13428%0.28CS..EExtended strand (participates in β ladder)trans-64.9139.6166-72.3-41.8000109.3R159 S205 L224R159-D177 VanDerWaalsContact CG-OD1 3.31Å; R159-D177 WeakPolarHBondContact CG-OD1 3.44Å; R159-D177 IonicContact NE-OD1 2.81Å; D177-S205 WeakPolarHBondContact OD1-CB 3.33Å; D177-S205 PolarHBondContact OD1-OG 3.46Å; D177-L224 VanDerWaalsContact OD2-CB 3.24Å; D177-L224 WeakPolarHBondContact OD2-CB 3.39Å; D177-L224 PolarHBondContact OD2-N 3.01Å
178C97.6Very high91.6Very high3 Ų357.3 Ų57.32%0.0230%0.304CS..PPolyproline II helixtrans-65.3151.7174.7-62.50000110.3G158 G203G158-C178 PolarHBondContact O-N 2.74Å; C178-G203 WeakPolarHBondContact O-CA 3.39Å
179P96.8Very high91.8Very high83 Ų8361.2 Ų61.254%0.53932%0.315SS..PPolyproline II helixtrans-50.8140.1171.1-26.834.9000111.3Q181P179-Q181 HydrophobicContact CB-CG 4.49Å; P179-Q181 PolarHBondContact O-N 3.17Å
180P96.4Very high92Very high25 Ų2555.3 Ų55.316%0.16228%0.281CS..SBendtrans-7754.9-172.932.9-37.4000112.8F156 L200 D202F156-P180 HydrophobicContact CE2-CB 4.22Å; P180-L200 HydrophobicContact CB-CB 4.19Å; P180-L200 WeakPolarHBondContact CB-O 3.45Å; P180-L200 VanDerWaalsContact CG-O 3.23Å; P180-L200 WeakPolarHBondContact CG-O 3.34Å; P180-D202 WeakPolarHBondContact CB-O 3.27Å
181Q97.6Very high92.4Very high64 Ų6449.4 Ų49.430%0.29926%0.259SS..EExtended strand (participates in β ladder)trans-92.5142.2173.6-62.4-175.2-62.400110.4P179 F183 H195 T196P179-Q181 HydrophobicContact CB-CG 4.49Å; P179-Q181 PolarHBondContact O-N 3.17Å; Q181-F183 HydrophobicContact CB-CE2 3.92Å; Q181-F183 HydrophobicContact CB-CZ 4.1Å; Q181-H195 WeakPolarHBondContact CA-O 3.31Å; Q181-T196 PolarHBondContact NE2-OG1 3.47Å
182V98.4Very high93.1Very high0 Ų048 Ų480%025%0.252CS..EExtended strand (participates in β ladder)trans-94.3126.4170.9176.80000108.3V154 F156 I184 H195 L197 L200 L236V154-V182 HydrophobicContact CG1-CG1 3.74Å; F156-V182 HydrophobicContact CD2-CG2 3.9Å; F156-V182 HydrophobicContact CE2-CG2 4.44Å; V182-I184 HydrophobicContact CG1-CD1 4.12Å; V182-H195 PolarHBondContact N-O 2.84Å; V182-H195 PolarHBondContact O-N 2.8Å; V182-L197 HydrophobicContact CB-CD1 4.47Å; V182-L197 HydrophobicContact CG2-CD1 3.87Å; V182-L200 HydrophobicContact CG2-CD1 3.6Å; V182-L236 HydrophobicContact CG1-CD2 3.77Å; V182-L236 HydrophobicContact CG2-CD2 4.4Å
183F98.5Very high93.8Very high8 Ų842.9 Ų42.94%0.03524%0.237CC..EExtended strand (participates in β ladder)trans-104.7132175.7-57.4-100.2000109.8E132 P134 V154 V155 Q181 S193 A194E132-F183 WeakPolarHBondContact O-CD1 3.28Å; P134-F183 HydrophobicContact CB-CD1 4.06Å; P134-F183 HydrophobicContact CB-CD2 3.95Å; P134-F183 HydrophobicContact CB-CE1 4.2Å; P134-F183 HydrophobicContact CB-CE2 4.13Å; P134-F183 HydrophobicContact CB-CG 3.93Å; P134-F183 HydrophobicContact CB-CZ 4.25Å; P134-F183 HydrophobicContact CG-CD1 4.48Å; P134-F183 HydrophobicContact CG-CG 4.37Å; V154-F183 CarbonylContact C-O 3.57Å; V154-F183 WeakPolarHBondContact CA-O 3.3Å; V155-F183 HydrophobicContact CB-CB 4.14Å; V155-F183 HydrophobicContact CG1-CD2 4.49Å; V155-F183 PolarHBondContact N-O 2.94Å; V155-F183 PolarHBondContact O-N 2.87Å; Q181-F183 HydrophobicContact CB-CE2 3.92Å; Q181-F183 HydrophobicContact CB-CZ 4.1Å; F183-S193 WeakPolarHBondContact CA-O 3.43Å; F183-A194 HydrophobicContact CD1-CB 3.8Å; F183-A194 HydrophobicContact CE1-CB 3.64Å; F183-A194 HydrophobicContact CZ-CB 4.41Å
184I97.9Very high94.4Very high8 Ų841.1 Ų41.14%0.04123%0.231CC..EExtended strand (participates in β ladder)trans-105.3121.3172.2-54.1-58.2000108.1A152 C153 V154 V182 C192 S193 V238 L240 P245 L247A152-I184 HydrophobicContact CB-CG2 3.79Å; C153-I184 CarbonylContact O-C 3.58Å; C153-I184 WeakPolarHBondContact O-CA 3.1Å; V154-I184 HydrophobicContact CG2-CD1 3.86Å; V182-I184 HydrophobicContact CG1-CD1 4.12Å; I184-C192 WeakPolarHBondContact O-CA 3.21Å; I184-S193 PolarHBondContact N-O 2.89Å; I184-S193 PolarHBondContact O-N 2.77Å; I184-V238 HydrophobicContact CD1-CG1 4.05Å; I184-V238 HydrophobicContact CD1-CG2 4.34Å; I184-L240 HydrophobicContact CG2-CD2 4.41Å; I184-P245 HydrophobicContact CG1-CG 4.3Å; I184-L247 HydrophobicContact CD1-CD2 4.08Å; I184-L247 HydrophobicContact CG1-CD1 4.36Å; I184-L247 HydrophobicContact CG1-CD2 4.33Å
185I96.4Very high94.7Very high0 Ų040.8 Ų40.80%022%0.224CC..EExtended strand (participates in β ladder)trans-110.4116.7178.5-48.9-179.2000108.9L106 L129 A152 C153 V155L106-I185 HydrophobicContact CD2-CG2 4.46Å; L129-I185 HydrophobicContact CD1-CD1 4.26Å; L129-I185 HydrophobicContact CD2-CG2 3.66Å; A152-I185 WeakPolarHBondContact CA-O 3.44Å; C153-I185 HydrophobicContact CB-CB 4.13Å; C153-I185 PolarHBondContact N-O 3.24Å; C153-I185 PolarHBondContact O-N 2.89Å; V155-I185 HydrophobicContact CG2-CD1 3.85Å
186D91.9Very high94.8Very high55 Ų5544.6 Ų44.629%0.29425%0.247SC..EExtended strand (participates in β ladder)trans-74.6123.9166.4-174.1-49.4000109.3E188 F189 G190 C191D186-E188 WeakPolarHBondContact OD1-CA 3.3Å; D186-E188 WeakPolarHBondContact OD1-CB 3.35Å; D186-E188 PolarHBondContact OD1-N 2.91Å; D186-F189 PolarHBondContact OD1-N 2.81Å; D186-G190 CarbonylContact O-C 3.6Å; D186-G190 WeakPolarHBondContact O-CA 3.33Å; D186-G190 PolarHBondContact O-N 3.07Å; D186-C191 HydrophobicContact CB-CB 4.26Å; D186-C191 PolarHBondContact N-O 2.9Å
187L84.3Confident94.8Very high47 Ų4743 Ų4325%0.24624%0.237CC..THydrogen-bonded Turntrans-82.9-18.6-177.1-68.8-179.7000114.4L80 L91 L106 M144 C153L80-L187 HydrophobicContact CD2-CD1 3.98Å; L91-L187 HydrophobicContact CD1-CD1 3.75Å; L91-L187 HydrophobicContact CD1-CD2 3.66Å; L91-L187 HydrophobicContact CD1-CG 4.32Å; L91-L187 HydrophobicContact CD2-CD2 4.26Å; L106-L187 HydrophobicContact CD2-CD2 4.42Å; M144-L187 HydrophobicContact CE-CD1 3.65Å; M144-L187 HydrophobicContact SD-CD1 3.89Å; C153-L187 VanDerWaalsContact SG-CD2 3.54Å
188E85Confident94.8Very high157 Ų15746.8 Ų46.873%0.73426%0.263SS*.THydrogen-bonded Turntrans-74.2-42.6178.3-170.2176.7177.400110D186D186-E188 WeakPolarHBondContact OD1-CA 3.3Å; D186-E188 WeakPolarHBondContact OD1-CB 3.35Å; D186-E188 PolarHBondContact OD1-N 2.91Å
189F85.6Confident94.7Very high131 Ų13150.1 Ų50.158%0.57528%0.278SS*.THydrogen-bonded Turntrans-112.9-9.5-175-54.7-71.2000114.8D186 C191D186-F189 PolarHBondContact OD1-N 2.81Å; F189-C191 PolarHBondContact O-N 3.05Å
190G89.3Confident94.7Very high9 Ų946.5 Ų46.59%0.09325%0.254CS..  trans71.814.2-174.700000113.7L129 V130 D186 C192L129-G190 WeakPolarHBondContact CA-O 3.19Å; V130-G190 PolarHBondContact N-O 2.91Å; D186-G190 CarbonylContact O-C 3.6Å; D186-G190 WeakPolarHBondContact O-CA 3.33Å; D186-G190 PolarHBondContact O-N 3.07Å; G190-C192 PolarHBondContact O-N 3.32Å
191C93.3Very high94.5Very high61 Ų6150 Ų5041%0.41228%0.275SS..EExtended strand (participates in β ladder)trans-75.3122.8-177.5-67.20000111D186 F189D186-C191 HydrophobicContact CB-CB 4.26Å; D186-C191 PolarHBondContact N-O 2.9Å; F189-C191 PolarHBondContact O-N 3.05Å
192C96.8Very high94.2Very high10 Ų1050.4 Ų50.47%0.06828%0.279CS..EExtended strand (participates in β ladder)trans-103.4138.6176.5-60.40000111.1V130 E132 Q133 I184 G190V130-C192 WeakPolarHBondContact O-CB 3.34Å; V130-C192 PolarHBondContact O-N 3.26Å; E132-C192 PolarHBondContact N-O 3.05Å; E132-C192 VanDerWaalsContact O-CB 3.26Å; E132-C192 WeakPolarHBondContact O-CB 3.41Å; Q133-C192 HydrophobicContact CG-CB 4.28Å; I184-C192 WeakPolarHBondContact O-CA 3.21Å; G190-C192 PolarHBondContact O-N 3.32Å
193S97Very high94Very high31 Ų3151 Ų5122%0.21729%0.285CS..EExtended strand (participates in β ladder)trans-129.6140.5168.355.60000110.1F183 I184 H195F183-S193 WeakPolarHBondContact CA-O 3.43Å; I184-S193 PolarHBondContact N-O 2.89Å; I184-S193 PolarHBondContact O-N 2.77Å; S193-H195 WeakPolarHBondContact CB-NE2 3.46Å; S193-H195 PolarHBondContact OG-NE2 3.23Å
194A97.9Very high93.9Very high20 Ų2050.6 Ų50.617%0.16528%0.284CS..EExtended strand (participates in β ladder)trans-107.4134.8-178.600000110.9E132 F183E132-A194 HydrophobicContact CB-CB 3.86Å; E132-A194 PolarHBondContact OE2-N 3.09Å; F183-A194 HydrophobicContact CD1-CB 3.8Å; F183-A194 HydrophobicContact CE1-CB 3.64Å; F183-A194 HydrophobicContact CZ-CB 4.41Å
195H97.9Very high93.9Very high42 Ų4250.2 Ų50.219%0.19428%0.282CS..EExtended strand (participates in β ladder)trans-131129.3-174.2-57.7-92.5000110.7Q181 V182 S193 L247Q181-H195 WeakPolarHBondContact CA-O 3.31Å; V182-H195 PolarHBondContact N-O 2.84Å; V182-H195 PolarHBondContact O-N 2.8Å; S193-H195 WeakPolarHBondContact CB-NE2 3.46Å; S193-H195 PolarHBondContact OG-NE2 3.23Å; H195-L247 HydrophobicContact CB-CD1 3.37Å
196T97.6Very high94Very high106 Ų10652.3 Ų52.365%0.6529%0.291SS*.EExtended strand (participates in β ladder)trans-99.1125.9173.6-57.20000108.6Q181Q181-T196 PolarHBondContact NE2-OG1 3.47Å
197L97.7Very high94.3Very high17 Ų1750.2 Ų50.29%0.08928%0.279CS..  trans-115.2132.9-179.3-62.1170.4000109.2V182 E199 L200 L236 L247 C249V182-L197 HydrophobicContact CB-CD1 4.47Å; V182-L197 HydrophobicContact CG2-CD1 3.87Å; L197-E199 PolarHBondContact O-N 3.06Å; L197-L200 HydrophobicContact CB-CD1 4.18Å; L197-L200 HydrophobicContact CB-CG 4.3Å; L197-L200 HydrophobicContact CD1-CD1 4.08Å; L197-L200 PolarHBondContact O-N 3.43Å; L197-L200 VanDerWaalsContact O-N 3.09Å; L197-L236 HydrophobicContact CD1-CD1 3.43Å; L197-L236 VanDerWaalsContact CD1-CD1 3.43Å; L197-L247 HydrophobicContact CD2-CB 4.07Å; L197-C249 HydrophobicContact CB-CB 4.39Å; L197-C249 HydrophobicContact CD1-CB 3.91Å
198P96.4Very high94.9Very high106 Ų10648.9 Ų48.969%0.68827%0.272SS*.THydrogen-bonded Turntrans-64.7-24.6-173.525-32.7000113.5L200P198-L200 VanDerWaalsContact C-N 3.27Å; P198-L200 PolarHBondContact O-N 3.46Å
199E96.4Very high95.5Very high73 Ų7342.7 Ų42.734%0.34125%0.248SC..THydrogen-bonded Turntrans-71.7-22.1177-5977.1-163.300112.6L197 T201 F234 C249L197-E199 PolarHBondContact O-N 3.06Å; E199-T201 PolarHBondContact O-N 3.19Å; E199-F234 VanDerWaalsContact O-CE1 3.27Å; E199-F234 WeakPolarHBondContact O-CE1 3.23Å; E199-C249 HydrophobicContact CB-CB 4.2Å; E199-C249 HydrophobicContact CG-CB 4.28Å; E199-C249 WeakPolarHBondContact CG-O 3.41Å
200L95.7Very high96.1Very high7 Ų736.8 Ų36.84%0.03722%0.222CC..  trans-100.482.6-177.8-56.2177.2000109.5F156 P180 V182 L197 P198 F234F156-L200 HydrophobicContact CD2-CD1 4.27Å; F156-L200 HydrophobicContact CE1-CD2 4.41Å; F156-L200 HydrophobicContact CE2-CB 4.46Å; F156-L200 HydrophobicContact CE2-CD1 3.65Å; F156-L200 HydrophobicContact CE2-CG 4.44Å; F156-L200 HydrophobicContact CZ-CB 4.4Å; F156-L200 HydrophobicContact CZ-CD1 3.85Å; F156-L200 HydrophobicContact CZ-CD2 3.91Å; F156-L200 HydrophobicContact CZ-CG 4.27Å; P180-L200 HydrophobicContact CB-CB 4.19Å; P180-L200 WeakPolarHBondContact CB-O 3.45Å; P180-L200 VanDerWaalsContact CG-O 3.23Å; P180-L200 WeakPolarHBondContact CG-O 3.34Å; V182-L200 HydrophobicContact CG2-CD1 3.6Å; L197-L200 HydrophobicContact CB-CD1 4.18Å; L197-L200 HydrophobicContact CB-CG 4.3Å; L197-L200 HydrophobicContact CD1-CD1 4.08Å; L197-L200 PolarHBondContact O-N 3.43Å; L197-L200 VanDerWaalsContact O-N 3.09Å; P198-L200 VanDerWaalsContact C-N 3.27Å; P198-L200 PolarHBondContact O-N 3.46Å; L200-F234 HydrophobicContact CD2-CB 4.09Å; L200-F234 HydrophobicContact CD2-CD1 3.74Å; L200-F234 HydrophobicContact CD2-CD2 3.62Å; L200-F234 HydrophobicContact CD2-CE1 3.96Å; L200-F234 HydrophobicContact CD2-CE2 3.82Å; L200-F234 HydrophobicContact CD2-CG 3.55Å; L200-F234 HydrophobicContact CD2-CZ 3.98Å
201T92.3Very high96.4Very high98 Ų9837.5 Ų37.560%0.60123%0.227SC*.  trans-83.2-36.5-173.652.70000114E199E199-T201 PolarHBondContact O-N 3.19Å
202D92Very high96.4Very high72 Ų7237 Ų3739%0.38522%0.216SC..SBendtrans-118.2142.4-172.4-58.5-73.9000111P180 T223P180-D202 WeakPolarHBondContact CB-O 3.27Å; D202-T223 HydrophobicContact CB-CG2 4.09Å
203G94.4Very high96.3Very high12 Ų1240.5 Ų40.512%0.12424%0.235CC..  trans-59.9145.8168.800000110.7C178C178-G203 WeakPolarHBondContact O-CA 3.39Å
204Q95.9Very high96.3Very high1 Ų140.2 Ų40.21%0.00523%0.231CC..  trans-147.4150.9176.264174.431.300112.1F156 G157 G158 G220 H222 R232F156-Q204 HydrophobicContact CE1-CG 3.86Å; F156-Q204 HydrophobicContact CZ-CG 4.15Å; G157-Q204 CarbonylContact C-O 3.56Å; G157-Q204 WeakPolarHBondContact CA-O 3.23Å; G158-Q204 PolarHBondContact N-O 2.91Å; Q204-G220 PolarHBondContact OE1-O 3.49Å; Q204-H222 WeakPolarHBondContact CA-O 3.27Å; Q204-R232 VanDerWaalsContact OE1-NE 3.1Å
205S98.1Very high96.2Very high0 Ų042.9 Ų42.90%024%0.237CC..BIsolated β-bridgetrans-135.9161.6-17946.70000111.4G139 R159 D177 H207 G221 H222G139-S205 CarbonylContact O-C 3.55Å; R159-S205 WeakPolarHBondContact CG-OG 3.19Å; R159-S205 PolarHBondContact NE-OG 2.71Å; D177-S205 WeakPolarHBondContact OD1-CB 3.33Å; D177-S205 PolarHBondContact OD1-OG 3.46Å; S205-H207 PolarHBondContact O-N 3.44Å; S205-H207 VanDerWaalsContact O-N 3.08Å; S205-G221 WeakPolarHBondContact O-CA 3.28Å; S205-H222 PolarHBondContact N-O 3.25Å; S205-H222 PolarHBondContact O-N 2.92Å
206F98.3Very high96.3Very high44 Ų4440.9 Ų40.919%0.19323%0.228CC..SBendtrans54.829.6179.8-53.1-73.8000114.5C74 Y138 G139 S259 S260C74-F206 HydrophobicContact CB-CE1 4.27Å; Y138-F206 HydrophobicContact CD2-CZ 4.17Å; Y138-F206 AromaticContact CE2-CZ 3.84Å; Y138-F206 HydrophobicContact CE2-CZ 3.84Å; G139-F206 PolarHBondContact O-N 3.1Å; F206-S259 CarbonylContact O-C 3.43Å; F206-S259 WeakPolarHBondContact O-CA 3.45Å; F206-S260 WeakPolarHBondContact CB-OG 3.3Å; F206-S260 PolarHBondContact O-N 3.06Å
207H98.2Very high96.3Very high10 Ų1036.2 Ų36.25%0.04620%0.198CC..  trans-82.1161.4170.758.1-83.2000110.2T141 F156 S205 F218T141-H207 VanDerWaalsContact CG2-CD2 3.46Å; T141-H207 WeakPolarHBondContact CG2-CD2 3.33Å; T141-H207 VanDerWaalsContact CG2-NE2 3.34Å; T141-H207 WeakPolarHBondContact CG2-NE2 3.17Å; T141-H207 WeakPolarHBondContact CG2-O 3.31Å; T141-H207 PolarHBondContact OG1-NE2 3.1Å; F156-H207 AromaticContact CD1-CE1 3.89Å; F156-H207 AromaticContact CD1-NE2 3.55Å; F156-H207 PolarHBondContact O-CE1 3.25Å; F156-H207 VanDerWaalsContact O-CE1 3.29Å; S205-H207 PolarHBondContact O-N 3.44Å; S205-H207 VanDerWaalsContact O-N 3.08Å; H207-F218 AromaticContact CD2-CD1 3.82Å; H207-F218 AromaticContact NE2-CD1 3.82Å
208L97.9Very high96.3Very high20 Ų2035.5 Ų35.511%0.10519%0.194CC..EExtended strand (participates in β ladder)trans-87.2148.1168.8-69.5172.4000109.8F218 L219 I258 A261 A263 I274L208-F218 CarbonylContact O-C 3.58Å; L208-F218 WeakPolarHBondContact O-CA 3.46Å; L208-L219 HydrophobicContact CB-CB 4.26Å; L208-L219 PolarHBondContact N-O 3.36Å; L208-L219 PolarHBondContact O-N 2.94Å; L208-I258 HydrophobicContact CD1-CD1 3.98Å; L208-A261 HydrophobicContact CD1-CB 3.93Å; L208-A261 HydrophobicContact CD2-CB 4.45Å; L208-A261 WeakPolarHBondContact CD2-O 3.21Å; L208-A261 HydrophobicContact CG-CB 4.27Å; L208-A263 HydrophobicContact CD2-CB 4.06Å; L208-I274 HydrophobicContact CD1-CB 4.46Å; L208-I274 HydrophobicContact CD1-CD1 3.6Å; L208-I274 HydrophobicContact CD1-CG1 3.89Å; L208-I274 HydrophobicContact CD1-CG2 3.74Å
209A98Very high96.3Very high26 Ų2630.4 Ų30.422%0.21516%0.162CC..EExtended strand (participates in β ladder)trans-127.7122167.200000109.3T141 S143 V216 Y217 F218T141-A209 HydrophobicContact CG2-CB 3.74Å; S143-A209 WeakPolarHBondContact OG-CB 3.26Å; A209-V216 HydrophobicContact CB-CG1 4.15Å; A209-Y217 VanDerWaalsContact CA-O 3.31Å; A209-Y217 WeakPolarHBondContact CA-O 3.34Å; A209-F218 HydrophobicContact CB-CD1 3.85Å; A209-F218 HydrophobicContact CB-CE1 4.02Å
210L96.9Very high96.3Very high8 Ų827 Ų274%0.04215%0.145CC..EExtended strand (participates in β ladder)trans-116.1122.7176.4-54.4177.5000108.1Y217 L219 A263 Y272 V291 L293L210-Y217 PolarHBondContact N-O 2.57Å; L210-Y217 PolarHBondContact O-N 2.98Å; L210-L219 HydrophobicContact CD1-CD1 4.23Å; L210-L219 HydrophobicContact CG-CD1 4.32Å; L210-A263 HydrophobicContact CD2-CB 4Å; L210-Y272 HydrophobicContact CD1-CD2 4.12Å; L210-Y272 HydrophobicContact CD1-CG 4.32Å; L210-Y272 HydrophobicContact CD2-CD1 4.05Å; L210-Y272 HydrophobicContact CD2-CD2 4.48Å; L210-Y272 HydrophobicContact CD2-CE1 4.2Å; L210-Y272 HydrophobicContact CD2-CG 4.2Å; L210-V291 HydrophobicContact CD1-CB 4.3Å; L210-V291 HydrophobicContact CD1-CG1 3.71Å; L210-L293 HydrophobicContact CB-CD1 3.84Å
211A95.7Very high96.3Very high23 Ų2326.6 Ų26.619%0.1914%0.144CC..EExtended strand (participates in β ladder)trans-110.4141.9-177.300000111.5M144 Y215 V216M144-A211 WeakPolarHBondContact O-CB 3.21Å; A211-Y215 VanDerWaalsContact CA-O 3.31Å; A211-Y215 WeakPolarHBondContact CA-O 3.39Å; A211-V216 HydrophobicContact CB-CG2 4.23Å
212R94.2Very high96.6Very high50 Ų5022.1 Ų22.119%0.18912%0.116CC..EExtended strand (participates in β ladder)trans-146.1121172.3177.5176.2-177.8-119.7-4107.8D214 Y215 L293 D294 D295R212-D214 PolarHBondContact O-N 2.77Å; R212-Y215 PolarHBondContact N-O 2.81Å; R212-Y215 WeakPolarHBondContact O-CB 3.31Å; R212-Y215 PolarHBondContact O-N 3.24Å; R212-L293 HydrophobicContact CB-CB 4.31Å; R212-L293 HydrophobicContact CB-CD1 3.98Å; R212-D294 VanDerWaalsContact NH1-CA 3.29Å; R212-D294 PolarHBondContact NH1-O 2.84Å; R212-D295 IonicContact CZ-OD1 3.67Å; R212-D295 VanDerWaalsContact CZ-OD1 3.27Å; R212-D295 IonicContact NH1-OD1 3.81Å; R212-D295 PolarHBondContact NH1-OD1 2.95Å; R212-D295 IonicContact NH2-OD1 2.63Å; R212-D295 PolarHBondContact NH2-OD1 2.84Å
213D93.7Very high96.8Very high84 Ų8418.8 Ų18.845%0.44910%0.098SC..THydrogen-bonded Turntrans52.3-118.4179.7-55.1-47.3000112.2V145 Q146V145-D213 CarbonylContact C-O 3.44Å; V145-D213 WeakPolarHBondContact CA-O 3.39Å; Q146-D213 PolarHBondContact N-O 3.34Å; Q146-D213 CarbonylContact O-C 3.2Å
214D96.1Very high96.9Very high26 Ų2620.9 Ų20.914%0.13911%0.106CC..THydrogen-bonded Turntrans-90.97178.362.7-40.4000113.9Q146 R212 R237 V238Q146-D214 PolarHBondContact O-N 3.13Å; R212-D214 PolarHBondContact O-N 2.77Å; D214-R237 CarbonylContact O-C 3.42Å; D214-R237 WeakPolarHBondContact O-CA 3.33Å; D214-R237 IonicContact OD2-CZ 3.27Å; D214-R237 IonicContact OD2-NE 2.71Å; D214-R237 PolarHBondContact OD2-NE 2.83Å; D214-R237 IonicContact OD2-NH2 2.74Å; D214-R237 PolarHBondContact OD2-NH2 2.93Å; D214-V238 WeakPolarHBondContact CB-O 3.4Å; D214-V238 PolarHBondContact O-N 3.04Å
215Y97.6Very high96.7Very high75 Ų7525.6 Ų25.629%0.29414%0.139SC..EExtended strand (participates in β ladder)trans-111142.5-178.5-67.8-92.6000113.1A211 R212 C235 L236 R237A211-Y215 VanDerWaalsContact CA-O 3.31Å; A211-Y215 WeakPolarHBondContact CA-O 3.39Å; R212-Y215 PolarHBondContact N-O 2.81Å; R212-Y215 WeakPolarHBondContact O-CB 3.31Å; R212-Y215 PolarHBondContact O-N 3.24Å; Y215-C235 VanDerWaalsContact CD1-SG 3.59Å; Y215-L236 CarbonylContact C-O 3.6Å; Y215-L236 VanDerWaalsContact CA-O 3.32Å; Y215-L236 WeakPolarHBondContact CA-O 3.19Å; Y215-R237 HydrophobicContact CD1-CB 3.91Å; Y215-R237 HydrophobicContact CD1-CG 4.03Å; Y215-R237 HydrophobicContact CE1-CB 3.72Å; Y215-R237 HydrophobicContact CE1-CG 3.65Å; Y215-R237 HydrophobicContact CE2-CG 4.21Å; Y215-R237 HydrophobicContact CG-CG 4.5Å; Y215-R237 WeakPolarHBondContact OH-CD 3.46Å; Y215-R237 PolarHBondContact OH-NE 3.48Å
216V98.3Very high96.5Very high0 Ų028.9 Ų28.90%016%0.162CC..EExtended strand (participates in β ladder)trans-127.9122.9168.4-172.10000109.2V145 V154 A209 A211 F218 L236V145-V216 HydrophobicContact CG1-CG2 3.33Å; V154-V216 HydrophobicContact CB-CG2 4.26Å; V154-V216 HydrophobicContact CG2-CG2 3.97Å; A209-V216 HydrophobicContact CB-CG1 4.15Å; A211-V216 HydrophobicContact CB-CG2 4.23Å; V216-F218 HydrophobicContact CB-CZ 4.34Å; V216-F218 HydrophobicContact CG1-CD1 4.08Å; V216-F218 HydrophobicContact CG1-CE1 3.56Å; V216-F218 HydrophobicContact CG1-CE2 4.48Å; V216-F218 HydrophobicContact CG1-CZ 3.79Å; V216-L236 HydrophobicContact CB-CB 4.44Å; V216-L236 PolarHBondContact N-O 2.9Å; V216-L236 PolarHBondContact O-N 2.91Å
217Y98.1Very high96.3Very high9 Ų930.3 Ų30.34%0.03517%0.172CC..EExtended strand (participates in β ladder)trans-98.4115.7174.6-58.8-89.5000109.1A209 L210 L219 V233 F234 C235 L252 L293 G297 I298A209-Y217 VanDerWaalsContact CA-O 3.31Å; A209-Y217 WeakPolarHBondContact CA-O 3.34Å; L210-Y217 PolarHBondContact N-O 2.57Å; L210-Y217 PolarHBondContact O-N 2.98Å; Y217-L219 VanDerWaalsContact O-CD1 3.27Å; Y217-L219 WeakPolarHBondContact O-CD1 3.28Å; Y217-V233 HydrophobicContact CD1-CG1 4.37Å; Y217-F234 CarbonylContact C-O 3.59Å; Y217-F234 WeakPolarHBondContact CA-O 3.5Å; Y217-C235 HydrophobicContact CD1-CB 4.08Å; Y217-C235 HydrophobicContact CE1-CB 3.99Å; Y217-C235 WeakPolarHBondContact CE1-SG 3.18Å; Y217-L252 HydrophobicContact CE1-CD1 4.45Å; Y217-L293 HydrophobicContact CD2-CD1 3.87Å; Y217-L293 HydrophobicContact CD2-CD2 3.68Å; Y217-L293 HydrophobicContact CD2-CG 4.38Å; Y217-L293 HydrophobicContact CE2-CD1 4.13Å; Y217-L293 HydrophobicContact CE2-CD2 3.87Å; Y217-L293 HydrophobicContact CE2-CG 4.44Å; Y217-L293 HydrophobicContact CG-CD2 4.2Å; Y217-G297 WeakPolarHBondContact OH-CA 3.25Å; Y217-I298 HydrophobicContact CD1-CB 3.78Å; Y217-I298 HydrophobicContact CD1-CD1 4.18Å; Y217-I298 HydrophobicContact CD1-CG2 3.66Å; Y217-I298 HydrophobicContact CE1-CB 3.8Å; Y217-I298 HydrophobicContact CE1-CG2 3.74Å; Y217-I298 HydrophobicContact CG-CB 4.33Å; Y217-I298 HydrophobicContact CG-CD1 4.13Å
218F97.9Very high96.1Very high1 Ų131.9 Ų31.90%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-92.8117.9171-54.8-62.6000109.5V154 F156 H207 L208 A209 V216 V233 F234 L236V154-F218 HydrophobicContact CG1-CZ 4.02Å; F156-F218 HydrophobicContact CB-CD1 4.47Å; F156-F218 HydrophobicContact CB-CE1 3.68Å; F156-F218 HydrophobicContact CB-CE2 4.23Å; F156-F218 HydrophobicContact CB-CZ 3.54Å; F156-F218 AromaticContact CD1-CD1 3.78Å; F156-F218 HydrophobicContact CD1-CD1 3.78Å; F156-F218 AromaticContact CD1-CD2 3.79Å; F156-F218 HydrophobicContact CD1-CD2 3.79Å; F156-F218 AromaticContact CD1-CE1 3.81Å; F156-F218 HydrophobicContact CD1-CE1 3.81Å; F156-F218 AromaticContact CD1-CE2 3.81Å; F156-F218 HydrophobicContact CD1-CE2 3.81Å; F156-F218 AromaticContact CD1-CG 3.77Å; F156-F218 HydrophobicContact CD1-CG 3.77Å; F156-F218 AromaticContact CD1-CZ 3.83Å; F156-F218 HydrophobicContact CD1-CZ 3.83Å; F156-F218 HydrophobicContact CE1-CD2 4.1Å; F156-F218 HydrophobicContact CE1-CE2 4.42Å; F156-F218 HydrophobicContact CE1-CG 4.19Å; F156-F218 HydrophobicContact CG-CD2 4.5Å; F156-F218 HydrophobicContact CG-CE1 4.13Å; F156-F218 HydrophobicContact CG-CE2 4.08Å; F156-F218 AromaticContact CG-CZ 3.88Å; F156-F218 HydrophobicContact CG-CZ 3.88Å; H207-F218 AromaticContact CD2-CD1 3.82Å; H207-F218 AromaticContact NE2-CD1 3.82Å; L208-F218 CarbonylContact O-C 3.58Å; L208-F218 WeakPolarHBondContact O-CA 3.46Å; A209-F218 HydrophobicContact CB-CD1 3.85Å; A209-F218 HydrophobicContact CB-CE1 4.02Å; V216-F218 HydrophobicContact CB-CZ 4.34Å; V216-F218 HydrophobicContact CG1-CD1 4.08Å; V216-F218 HydrophobicContact CG1-CE1 3.56Å; V216-F218 HydrophobicContact CG1-CE2 4.48Å; V216-F218 HydrophobicContact CG1-CZ 3.79Å; F218-V233 VanDerWaalsContact O-CA 3.29Å; F218-V233 WeakPolarHBondContact O-CA 3.31Å; F218-F234 HydrophobicContact CB-CB 4.28Å; F218-F234 HydrophobicContact CD2-CB 4.15Å; F218-F234 PolarHBondContact N-O 2.8Å; F218-F234 PolarHBondContact O-N 2.82Å; F218-L236 HydrophobicContact CE2-CB 3.92Å; F218-L236 HydrophobicContact CE2-CD2 4.02Å; F218-L236 HydrophobicContact CZ-CD2 4.16Å
219L96.9Very high96Very high0 Ų032.6 Ų32.60%019%0.185CC..EExtended strand (participates in β ladder)trans-114.9130-175.9-68.377.5000111.2L208 L210 Y217 V233 I274 I298 I300L208-L219 HydrophobicContact CB-CB 4.26Å; L208-L219 PolarHBondContact N-O 3.36Å; L208-L219 PolarHBondContact O-N 2.94Å; L210-L219 HydrophobicContact CD1-CD1 4.23Å; L210-L219 HydrophobicContact CG-CD1 4.32Å; Y217-L219 VanDerWaalsContact O-CD1 3.27Å; Y217-L219 WeakPolarHBondContact O-CD1 3.28Å; L219-V233 HydrophobicContact CD1-CG1 4.35Å; L219-V233 HydrophobicContact CG-CG1 4.18Å; L219-V233 HydrophobicContact CG-CG2 4.07Å; L219-I274 HydrophobicContact CD2-CD1 3.89Å; L219-I298 HydrophobicContact CD1-CD1 3.88Å; L219-I298 HydrophobicContact CD2-CD1 3.88Å; L219-I298 HydrophobicContact CG-CD1 4.15Å; L219-I300 HydrophobicContact CD2-CD1 3.56Å
220G95.6Very high95.7Very high0 Ų032.7 Ų32.70%018%0.184CC..  trans61.7-137.3176.700000112.1Q204 R232 L256Q204-G220 PolarHBondContact OE1-O 3.49Å; G220-R232 PolarHBondContact N-O 3.31Å; G220-L256 WeakPolarHBondContact CA-O 3.47Å
221G96.6Very high95.5Very high0 Ų036.2 Ų36.20%021%0.207CC..  trans106.5167.5-172.900000112.6S205 R229 I258S205-G221 WeakPolarHBondContact O-CA 3.28Å; G221-R229 WeakPolarHBondContact O-CA 3.21Å; G221-I258 PolarHBondContact N-O 3.23Å
222H97.6Very high95.3Very high4 Ų436.3 Ų36.32%0.01920%0.202CC..BIsolated β-bridgetrans-110.6135.6171.7179.4-102.6000109.5R159 Q204 S205 D227 S228 R229R159-H222 PolarHBondContact NH2-CE1 3.17Å; R159-H222 VanDerWaalsContact NH2-CE1 3.32Å; R159-H222 PolarHBondContact NH2-ND1 3.21Å; Q204-H222 WeakPolarHBondContact CA-O 3.27Å; S205-H222 PolarHBondContact N-O 3.25Å; S205-H222 PolarHBondContact O-N 2.92Å; H222-D227 IonicContact CD2-OD1 3.54Å; H222-D227 IonicContact CE1-OD1 2.71Å; H222-D227 IonicContact NE2-OD1 2.74Å; H222-D227 PolarHBondContact NE2-OD1 3.04Å; H222-S228 WeakPolarHBondContact CA-O 3.18Å; H222-R229 HydrophobicContact CB-CG 4.28Å
223T96.9Very high95.4Very high1 Ų133.9 Ų33.91%0.00619%0.193CC..BIsolated β-bridgetrans-107110.2171.5-570000107.8D202 S225 S226 D227 S228 R232D202-T223 HydrophobicContact CB-CG2 4.09Å; T223-S225 WeakPolarHBondContact CG2-OG 3.45Å; T223-S226 WeakPolarHBondContact CG2-OG 3.31Å; T223-S226 PolarHBondContact O-N 3.3Å; T223-D227 WeakPolarHBondContact O-CA 3.44Å; T223-D227 PolarHBondContact O-N 2.73Å; T223-S228 PolarHBondContact N-O 2.77Å; T223-S228 PolarHBondContact O-N 2.79Å; T223-S228 VanDerWaalsContact O-N 3.14Å; T223-R232 PolarHBondContact OG1-NH2 2.93Å; T223-R232 VanDerWaalsContact OG1-NH2 3.07Å
224L95.7Very high95.5Very high56 Ų5630.3 Ų30.329%0.29317%0.174SC..G310 helixtrans-67-37-173.4-174.562.9000112.7V175 D177 S226 D227V175-L224 HydrophobicContact CG2-CD2 4.05Å; V175-L224 VanDerWaalsContact O-CD2 3.27Å; V175-L224 WeakPolarHBondContact O-CD2 3.31Å; D177-L224 VanDerWaalsContact OD2-CB 3.24Å; D177-L224 WeakPolarHBondContact OD2-CB 3.39Å; D177-L224 PolarHBondContact OD2-N 3.01Å; L224-S226 PolarHBondContact O-N 2.98Å; L224-D227 PolarHBondContact O-N 2.81Å
225S92.7Very high95.6Very high101 Ų10129.6 Ų29.671%0.70617%0.171SC*.G310 helixtrans-65.1-27.7-178.557.70000113.9T223T223-S225 WeakPolarHBondContact CG2-OG 3.45Å
226S93.7Very high95.6Very high68 Ų6826 Ų2648%0.47616%0.157SC..G310 helixtrans-111.80.118056.70000113.1T223 L224 S228T223-S226 WeakPolarHBondContact CG2-OG 3.31Å; T223-S226 PolarHBondContact O-N 3.3Å; L224-S226 PolarHBondContact O-N 2.98Å; S226-S228 PolarHBondContact O-N 2.98Å; S226-S228 PolarHBondContact OG-OG 3.13Å
227D94.3Very high95.6Very high74 Ų7429.8 Ų29.840%0.39617%0.171SC..THydrogen-bonded Turntrans39.752.7-167.9-17533.1000113.3H222 T223 L224H222-D227 IonicContact CD2-OD1 3.54Å; H222-D227 IonicContact CE1-OD1 2.71Å; H222-D227 IonicContact NE2-OD1 2.74Å; H222-D227 PolarHBondContact NE2-OD1 3.04Å; T223-D227 WeakPolarHBondContact O-CA 3.44Å; T223-D227 PolarHBondContact O-N 2.73Å; L224-D227 PolarHBondContact O-N 2.81Å
228S94.4Very high95.6Very high43 Ų4329.3 Ų29.330%0.30117%0.169SC..BIsolated β-bridgetrans-128152.6-173.374.20000112.8H222 T223 S226 P230H222-S228 WeakPolarHBondContact CA-O 3.18Å; T223-S228 PolarHBondContact N-O 2.77Å; T223-S228 PolarHBondContact O-N 2.79Å; T223-S228 VanDerWaalsContact O-N 3.14Å; S226-S228 PolarHBondContact O-N 2.98Å; S226-S228 PolarHBondContact OG-OG 3.13Å; S228-P230 VanDerWaalsContact C-CD 3.49Å; S228-P230 WeakPolarHBondContact O-CD 3.39Å
229R95.4Very high95.6Very high35 Ų3531.6 Ų31.613%0.13218%0.18CC..  trans-12074.1175-66.2172-175.776-4.2109.1G221 H222 S257 S259 Y278 Q279G221-R229 WeakPolarHBondContact O-CA 3.21Å; H222-R229 HydrophobicContact CB-CG 4.28Å; R229-S257 WeakPolarHBondContact O-CA 3.32Å; R229-S257 VanDerWaalsContact O-CB 3.3Å; R229-S257 WeakPolarHBondContact O-CB 3.49Å; R229-S257 PolarHBondContact O-OG 3.29Å; R229-S259 WeakPolarHBondContact CD-OG 3.41Å; R229-S259 PolarHBondContact NE-OG 2.85Å; R229-Y278 VanDerWaalsContact CD-O 3.31Å; R229-Y278 WeakPolarHBondContact CD-O 3.48Å; R229-Q279 WeakPolarHBondContact CD-O 3.26Å
230P91.8Very high95.5Very high29 Ų2932.3 Ų32.319%0.18818%0.184CC..  trans-63136.8-174.825-33.4000110.9S228 R232S228-P230 VanDerWaalsContact C-CD 3.49Å; S228-P230 WeakPolarHBondContact O-CD 3.39Å; P230-R232 HydrophobicContact CB-CG 4.19Å; P230-R232 HydrophobicContact CG-CG 4.06Å; P230-R232 VanDerWaalsContact CG-CZ 3.45Å; P230-R232 PolarHBondContact O-N 3.16Å
231P93.3Very high95.2Very high82 Ų8235.9 Ų35.953%0.53220%0.202SC..  trans-77.560.1177.634.2-36.3000111.3G255P231-G255 CarbonylContact O-C 3.52Å; P231-G255 WeakPolarHBondContact O-CA 3.41Å; P231-G255 PolarHBondContact O-N 2.83Å
232R89.5Confident94.7Very high24 Ų2445.1 Ų45.19%0.09125%0.245CC..  trans-106.8149.1-175.963.5-169.2178.5-164.8-7.9112.2Q204 G220 T223 P230 F234Q204-R232 VanDerWaalsContact OE1-NE 3.1Å; G220-R232 PolarHBondContact N-O 3.31Å; T223-R232 PolarHBondContact OG1-NH2 2.93Å; T223-R232 VanDerWaalsContact OG1-NH2 3.07Å; P230-R232 HydrophobicContact CB-CG 4.19Å; P230-R232 HydrophobicContact CG-CG 4.06Å; P230-R232 VanDerWaalsContact CG-CZ 3.45Å; P230-R232 PolarHBondContact O-N 3.16Å; R232-F234 VanDerWaalsContact CD-CE2 3.4Å; R232-F234 HydrophobicContact CG-CD2 4.44Å; R232-F234 HydrophobicContact CG-CE2 3.88Å; R232-F234 HydrophobicContact CG-CZ 4.31Å
233V96.3Very high94.1Very high0 Ų048.5 Ų48.50%028%0.281CS..EExtended strand (participates in β ladder)trans-123129.5164.3-174.90000108.6Y217 F218 L219 L252 G255 I298 I300Y217-V233 HydrophobicContact CD1-CG1 4.37Å; F218-V233 VanDerWaalsContact O-CA 3.29Å; F218-V233 WeakPolarHBondContact O-CA 3.31Å; L219-V233 HydrophobicContact CD1-CG1 4.35Å; L219-V233 HydrophobicContact CG-CG1 4.18Å; L219-V233 HydrophobicContact CG-CG2 4.07Å; V233-L252 HydrophobicContact CB-CB 4.19Å; V233-L252 HydrophobicContact CG1-CD1 4.25Å; V233-L252 PolarHBondContact N-O 2.89Å; V233-L252 PolarHBondContact O-N 2.94Å; V233-G255 VanDerWaalsContact CG2-CA 3.4Å; V233-I298 HydrophobicContact CG1-CD1 4.34Å; V233-I298 HydrophobicContact CG1-CG2 4.33Å; V233-I300 HydrophobicContact CG2-CD1 4.33Å
234F97.3Very high93.6Very high8 Ų852.7 Ų52.74%0.03531%0.311CS..EExtended strand (participates in β ladder)trans-106126.8168.5-62.3-70.2000109.4E199 L200 Y217 F218 R232 E250 H251E199-F234 VanDerWaalsContact O-CE1 3.27Å; E199-F234 WeakPolarHBondContact O-CE1 3.23Å; L200-F234 HydrophobicContact CD2-CB 4.09Å; L200-F234 HydrophobicContact CD2-CD1 3.74Å; L200-F234 HydrophobicContact CD2-CD2 3.62Å; L200-F234 HydrophobicContact CD2-CE1 3.96Å; L200-F234 HydrophobicContact CD2-CE2 3.82Å; L200-F234 HydrophobicContact CD2-CG 3.55Å; L200-F234 HydrophobicContact CD2-CZ 3.98Å; Y217-F234 CarbonylContact C-O 3.59Å; Y217-F234 WeakPolarHBondContact CA-O 3.5Å; F218-F234 HydrophobicContact CB-CB 4.28Å; F218-F234 HydrophobicContact CD2-CB 4.15Å; F218-F234 PolarHBondContact N-O 2.8Å; F218-F234 PolarHBondContact O-N 2.82Å; R232-F234 VanDerWaalsContact CD-CE2 3.4Å; R232-F234 HydrophobicContact CG-CD2 4.44Å; R232-F234 HydrophobicContact CG-CE2 3.88Å; R232-F234 HydrophobicContact CG-CZ 4.31Å; F234-E250 CarbonylContact C-O 3.5Å; F234-E250 WeakPolarHBondContact CA-O 3.43Å; F234-H251 HydrophobicContact CD1-CB 4.32Å; F234-H251 HydrophobicContact CE1-CB 4.31Å; F234-H251 AromaticContact CE1-CD2 3.72Å
235C97.8Very high93.5Very high11 Ų1151.3 Ų51.37%0.07431%0.305CS..EExtended strand (participates in β ladder)trans-99.5102.6173.7-178.20000108.3Y215 Y217 C249 E250 L252Y215-C235 VanDerWaalsContact CD1-SG 3.59Å; Y217-C235 HydrophobicContact CD1-CB 4.08Å; Y217-C235 HydrophobicContact CE1-CB 3.99Å; Y217-C235 WeakPolarHBondContact CE1-SG 3.18Å; C235-C249 CarbonylContact O-C 3.57Å; C235-C249 VanDerWaalsContact O-CA 3.3Å; C235-C249 WeakPolarHBondContact O-CA 3.5Å; C235-E250 HydrophobicContact CB-CB 4.43Å; C235-E250 PolarHBondContact N-O 3.41Å; C235-E250 PolarHBondContact O-N 3.08Å; C235-L252 HydrophobicContact CB-CD1 3.98Å; C235-L252 HydrophobicContact CB-CG 4.28Å
236L98.5Very high93.7Very high0 Ų050.8 Ų50.80%029%0.294CS..EExtended strand (participates in β ladder)trans-92127.4173.2176.873000109.2V154 V182 L197 Y215 V216 F218 V238 L247 C249V154-L236 HydrophobicContact CG1-CD2 3.62Å; V154-L236 HydrophobicContact CG2-CD2 4.42Å; V182-L236 HydrophobicContact CG1-CD2 3.77Å; V182-L236 HydrophobicContact CG2-CD2 4.4Å; L197-L236 HydrophobicContact CD1-CD1 3.43Å; L197-L236 VanDerWaalsContact CD1-CD1 3.43Å; Y215-L236 CarbonylContact C-O 3.6Å; Y215-L236 VanDerWaalsContact CA-O 3.32Å; Y215-L236 WeakPolarHBondContact CA-O 3.19Å; V216-L236 HydrophobicContact CB-CB 4.44Å; V216-L236 PolarHBondContact N-O 2.9Å; V216-L236 PolarHBondContact O-N 2.91Å; F218-L236 HydrophobicContact CE2-CB 3.92Å; F218-L236 HydrophobicContact CE2-CD2 4.02Å; F218-L236 HydrophobicContact CZ-CD2 4.16Å; L236-V238 HydrophobicContact CD2-CG2 3.86Å; L236-V238 HydrophobicContact CG-CG2 3.94Å; L236-L247 HydrophobicContact CD1-CB 4.48Å; L236-L247 HydrophobicContact CD1-CD2 4.49Å; L236-C249 HydrophobicContact CD1-CB 4.38Å
237R98Very high93.9Very high79 Ų7948.8 Ų48.830%0.29828%0.277SS..EExtended strand (participates in β ladder)trans-106.5137.1168.3-167.6-176.9-177.5-158.3-10110.5D214 Y215 E239 L247 S248D214-R237 CarbonylContact O-C 3.42Å; D214-R237 WeakPolarHBondContact O-CA 3.33Å; D214-R237 IonicContact OD2-CZ 3.27Å; D214-R237 IonicContact OD2-NE 2.71Å; D214-R237 PolarHBondContact OD2-NE 2.83Å; D214-R237 IonicContact OD2-NH2 2.74Å; D214-R237 PolarHBondContact OD2-NH2 2.93Å; Y215-R237 HydrophobicContact CD1-CB 3.91Å; Y215-R237 HydrophobicContact CD1-CG 4.03Å; Y215-R237 HydrophobicContact CE1-CB 3.72Å; Y215-R237 HydrophobicContact CE1-CG 3.65Å; Y215-R237 HydrophobicContact CE2-CG 4.21Å; Y215-R237 HydrophobicContact CG-CG 4.5Å; Y215-R237 WeakPolarHBondContact OH-CD 3.46Å; Y215-R237 PolarHBondContact OH-NE 3.48Å; R237-E239 IonicContact CZ-OE2 3.8Å; R237-E239 IonicContact NH1-OE2 3.7Å; R237-E239 IonicContact NH2-OE1 3.77Å; R237-E239 IonicContact NH2-OE2 3.57Å; R237-L247 WeakPolarHBondContact O-CA 3.32Å; R237-S248 WeakPolarHBondContact CB-OG 3.01Å; R237-S248 PolarHBondContact N-O 3.09Å; R237-S248 PolarHBondContact O-N 2.77Å
238V97.9Very high94.1Very high0 Ų047.7 Ų47.70%028%0.275CS..EExtended strand (participates in β ladder)trans-126.4102.7-175.9-1740000111.2V145 S147 V154 I184 D214 L236 L240 L247V145-V238 HydrophobicContact CG1-CG2 4.4Å; V145-V238 HydrophobicContact CG2-CB 4.14Å; V145-V238 HydrophobicContact CG2-CG1 4.06Å; V145-V238 HydrophobicContact CG2-CG2 4.49Å; S147-V238 VanDerWaalsContact CB-O 3.28Å; S147-V238 WeakPolarHBondContact CB-O 3.16Å; S147-V238 PolarHBondContact OG-O 2.89Å; V154-V238 HydrophobicContact CG2-CG2 3.88Å; I184-V238 HydrophobicContact CD1-CG1 4.05Å; I184-V238 HydrophobicContact CD1-CG2 4.34Å; D214-V238 WeakPolarHBondContact CB-O 3.4Å; D214-V238 PolarHBondContact O-N 3.04Å; L236-V238 HydrophobicContact CD2-CG2 3.86Å; L236-V238 HydrophobicContact CG-CG2 3.94Å; V238-L240 HydrophobicContact CG1-CD2 3.9Å; V238-L240 HydrophobicContact CG1-CG 4.36Å; V238-L247 HydrophobicContact CB-CD2 3.96Å; V238-L247 HydrophobicContact CG1-CD2 3.72Å; V238-L247 HydrophobicContact CG2-CD2 3.67Å
239E96.9Very high94.3Very high48 Ų4845.9 Ų45.922%0.22426%0.263CS..EExtended strand (participates in β ladder)trans-96.1113176.3-66.1-17678.900111.1S147 R237 L241 P245 L246S147-E239 WeakPolarHBondContact OG-CA 3.49Å; R237-E239 IonicContact CZ-OE2 3.8Å; R237-E239 IonicContact NH1-OE2 3.7Å; R237-E239 IonicContact NH2-OE1 3.77Å; R237-E239 IonicContact NH2-OE2 3.57Å; E239-L241 VanDerWaalsContact C-N 3.34Å; E239-L241 PolarHBondContact O-N 2.82Å; E239-P245 WeakPolarHBondContact O-CA 3.48Å; E239-L246 HydrophobicContact CB-CB 4.17Å; E239-L246 PolarHBondContact N-O 2.84Å; E239-L246 PolarHBondContact O-N 3.17Å
240L94.4Very high94.3Very high16 Ų1649.9 Ų49.98%0.08428%0.283CS..  trans-86.769.2-174.8-62.5175.7000112.2S147 K150 A152 I184 V238 P245S147-L240 PolarHBondContact OG-N 2.84Å; K150-L240 HydrophobicContact CB-CB 4.02Å; K150-L240 HydrophobicContact CB-CD1 3.81Å; K150-L240 HydrophobicContact CD-CB 4.19Å; K150-L240 WeakPolarHBondContact CD-O 3.07Å; K150-L240 PolarHBondContact NZ-O 3.44Å; A152-L240 HydrophobicContact CB-CD1 3.85Å; A152-L240 HydrophobicContact CB-CD2 3.85Å; I184-L240 HydrophobicContact CG2-CD2 4.41Å; V238-L240 HydrophobicContact CG1-CD2 3.9Å; V238-L240 HydrophobicContact CG1-CG 4.36Å; L240-P245 HydrophobicContact CD2-CB 4.22Å
241L90.8Very high94.5Very high75 Ų7552.9 Ų52.939%0.39330%0.295SS..  trans-66.2170.5178.6-56.1-179.4000112.6L148 K150 E239 G243 L246L148-L241 HydrophobicContact CD1-CD2 3.89Å; K150-L241 VanDerWaalsContact NZ-C 3.35Å; K150-L241 PolarHBondContact NZ-O 3.33Å; E239-L241 VanDerWaalsContact C-N 3.34Å; E239-L241 PolarHBondContact O-N 2.82Å; L241-G243 PolarHBondContact O-N 2.94Å; L241-L246 HydrophobicContact CD1-CB 3.98Å
242Q85.2Confident94.5Very high194 Ų19451.1 Ų51.191%0.90728%0.28SS*.SBendtrans-74.3118.9169.7-171.9172.713.200109.1
243G85.2Confident94.3Very high74 Ų7457 Ų5776%0.76331%0.314SS*.SBendtrans102.8-123.1-171.600000111L241L241-G243 PolarHBondContact O-N 2.94Å
244S87.2Confident93.7Very high90 Ų9060.6 Ų60.663%0.62934%0.336SS*.SBendtrans-82.4141.1179.955.20000112.1
245P94.1Very high93.4Very high26 Ų2661.1 Ų61.117%0.16934%0.343CS..PPolyproline II helixtrans-64.9146.9169.930.2-34.8000110.4I184 E239 L240I184-P245 HydrophobicContact CG1-CG 4.3Å; E239-P245 WeakPolarHBondContact O-CA 3.48Å; L240-P245 HydrophobicContact CD2-CB 4.22Å
246L96.8Very high93.1Very high91 Ų9162 Ų6248%0.47635%0.347SS..EExtended strand (participates in β ladder)trans-98128168.8174.867.8000108.3E239 L241E239-L246 HydrophobicContact CB-CB 4.17Å; E239-L246 PolarHBondContact N-O 2.84Å; E239-L246 PolarHBondContact O-N 3.17Å; L241-L246 HydrophobicContact CD1-CB 3.98Å
247L98Very high93Very high25 Ų2564.1 Ų64.113%0.13136%0.362CS..EExtended strand (participates in β ladder)trans-119.5137.4-179-59.6179.6000110I184 H195 L197 L236 R237 V238I184-L247 HydrophobicContact CD1-CD2 4.08Å; I184-L247 HydrophobicContact CG1-CD1 4.36Å; I184-L247 HydrophobicContact CG1-CD2 4.33Å; H195-L247 HydrophobicContact CB-CD1 3.37Å; L197-L247 HydrophobicContact CD2-CB 4.07Å; L236-L247 HydrophobicContact CD1-CB 4.48Å; L236-L247 HydrophobicContact CD1-CD2 4.49Å; R237-L247 WeakPolarHBondContact O-CA 3.32Å; V238-L247 HydrophobicContact CB-CD2 3.96Å; V238-L247 HydrophobicContact CG1-CD2 3.72Å; V238-L247 HydrophobicContact CG2-CD2 3.67Å
248S97.6Very high92.9Very high51 Ų5160.5 Ų60.536%0.35735%0.348SS..EExtended strand (participates in β ladder)trans-134.4139.316760.20000109.1R237R237-S248 WeakPolarHBondContact CB-OG 3.01Å; R237-S248 PolarHBondContact N-O 3.09Å; R237-S248 PolarHBondContact O-N 2.77Å
249C98Very high92.9Very high6 Ų660.8 Ų60.84%0.04135%0.35CS..EExtended strand (participates in β ladder)trans-123.1140.1176.2-175.10000109.6L197 E199 C235 L236L197-C249 HydrophobicContact CB-CB 4.39Å; L197-C249 HydrophobicContact CD1-CB 3.91Å; E199-C249 HydrophobicContact CB-CB 4.2Å; E199-C249 HydrophobicContact CG-CB 4.28Å; E199-C249 WeakPolarHBondContact CG-O 3.41Å; C235-C249 CarbonylContact O-C 3.57Å; C235-C249 VanDerWaalsContact O-CA 3.3Å; C235-C249 WeakPolarHBondContact O-CA 3.5Å; L236-C249 HydrophobicContact CD1-CB 4.38Å
250E96.8Very high92.9Very high119 Ų11961 Ų6156%0.55636%0.357SS*.EExtended strand (participates in β ladder)trans-126.7140.1175.1-64.2-178.6174.300109.5F234 C235F234-E250 CarbonylContact C-O 3.5Å; F234-E250 WeakPolarHBondContact CA-O 3.43Å; C235-E250 HydrophobicContact CB-CB 4.43Å; C235-E250 PolarHBondContact N-O 3.41Å; C235-E250 PolarHBondContact O-N 3.08Å
251H95.1Very high93.1Very high92 Ų9261 Ų6143%0.42636%0.36SS..EExtended strand (participates in β ladder)trans-88.6129.4169.9177.9-89.7000109.5F234 D253F234-H251 HydrophobicContact CD1-CB 4.32Å; F234-H251 HydrophobicContact CE1-CB 4.31Å; F234-H251 AromaticContact CE1-CD2 3.72Å; H251-D253 IonicContact CE1-OD1 2.72Å; H251-D253 PolarHBondContact CE1-OD1 2.85Å; H251-D253 IonicContact ND1-OD1 3.59Å; H251-D253 PolarHBondContact ND1-OD1 2.81Å
252L93.6Very high93.4Very high45 Ų4558.2 Ų58.224%0.23635%0.345CS..EExtended strand (participates in β ladder)trans-113.6138177.1-48.1175.7000110.3Y217 V233 C235 T254 I298Y217-L252 HydrophobicContact CE1-CD1 4.45Å; V233-L252 HydrophobicContact CB-CB 4.19Å; V233-L252 HydrophobicContact CG1-CD1 4.25Å; V233-L252 PolarHBondContact N-O 2.89Å; V233-L252 PolarHBondContact O-N 2.94Å; C235-L252 HydrophobicContact CB-CD1 3.98Å; C235-L252 HydrophobicContact CB-CG 4.28Å; L252-T254 PolarHBondContact O-N 2.88Å; L252-I298 HydrophobicContact CD1-CG2 3.5Å
253D84.6Confident93.9Very high147 Ų14750.3 Ų50.379%0.78631%0.313SS*.SBendtrans-81.310.7-174.6-62.1-31.8000114H251H251-D253 IonicContact CE1-OD1 2.72Å; H251-D253 PolarHBondContact CE1-OD1 2.85Å; H251-D253 IonicContact ND1-OD1 3.59Å; H251-D253 PolarHBondContact ND1-OD1 2.81Å
254T85.3Confident94.4Very high76 Ų7646.8 Ų46.847%0.46628%0.277SS..  trans-102.226.8-171.352.30000113.9L252 I300L252-T254 PolarHBondContact O-N 2.88Å; T254-I300 WeakPolarHBondContact O-CD1 3.37Å
255G89.6Confident94.6Very high18 Ų1846.3 Ų46.319%0.18626%0.261CS..  trans-85173.8-169.600000117.3P231 V233P231-G255 CarbonylContact O-C 3.52Å; P231-G255 WeakPolarHBondContact O-CA 3.41Å; P231-G255 PolarHBondContact O-N 2.83Å; V233-G255 VanDerWaalsContact CG2-CA 3.4Å
256L92.8Very high94.2Very high29 Ų2945.4 Ų45.415%0.15226%0.255CS..  trans-118.8132.2178.9-63176.2000109.5G220 I258 I274 I300G220-L256 WeakPolarHBondContact CA-O 3.47Å; L256-I258 VanDerWaalsContact C-N 3.34Å; L256-I258 HydrophobicContact CB-CD1 3.84Å; L256-I258 HydrophobicContact CB-CG1 3.9Å; L256-I258 HydrophobicContact CB-CG2 4.01Å; L256-I258 HydrophobicContact CD1-CD1 3.96Å; L256-I258 PolarHBondContact O-N 2.96Å; L256-I274 HydrophobicContact CD1-CD1 4.16Å; L256-I300 HydrophobicContact CD1-CG2 3.94Å; L256-I300 HydrophobicContact CD2-CG2 4.05Å; L256-I300 HydrophobicContact CG-CD1 4.36Å; L256-I300 HydrophobicContact CG-CG2 4.07Å
257S95.1Very high93.3Very high46 Ų4642.5 Ų42.532%0.32225%0.247SC..  trans-78.186172.8-178.60000108.9R229R229-S257 WeakPolarHBondContact O-CA 3.32Å; R229-S257 VanDerWaalsContact O-CB 3.3Å; R229-S257 WeakPolarHBondContact O-CB 3.49Å; R229-S257 PolarHBondContact O-OG 3.29Å
258I96.6Very high92.1Very high3 Ų346.5 Ų46.52%0.01528%0.275CS..  trans-145.4151.4-172.861.2177.6000112.4L208 G221 L256 A261 I274 Y278L208-I258 HydrophobicContact CD1-CD1 3.98Å; G221-I258 PolarHBondContact N-O 3.23Å; L256-I258 VanDerWaalsContact C-N 3.34Å; L256-I258 HydrophobicContact CB-CD1 3.84Å; L256-I258 HydrophobicContact CB-CG1 3.9Å; L256-I258 HydrophobicContact CB-CG2 4.01Å; L256-I258 HydrophobicContact CD1-CD1 3.96Å; L256-I258 PolarHBondContact O-N 2.96Å; I258-A261 HydrophobicContact CD1-CB 4.01Å; I258-I274 HydrophobicContact CD1-CG2 3.87Å; I258-Y278 CarbonylContact C-O 3.6Å; I258-Y278 WeakPolarHBondContact CA-O 3.29Å
259S97.8Very high91.2Very high5 Ų546.9 Ų46.94%0.03528%0.277CS..BIsolated β-bridgetrans-143.3153.416858.60000110.2F206 R229 A261 G277 Y278F206-S259 CarbonylContact O-C 3.43Å; F206-S259 WeakPolarHBondContact O-CA 3.45Å; R229-S259 WeakPolarHBondContact CD-OG 3.41Å; R229-S259 PolarHBondContact NE-OG 2.85Å; S259-A261 PolarHBondContact O-N 3.2Å; S259-A261 VanDerWaalsContact O-N 3.16Å; S259-G277 CarbonylContact O-C 3.57Å; S259-G277 WeakPolarHBondContact O-CA 3.37Å; S259-Y278 PolarHBondContact N-O 2.83Å; S259-Y278 PolarHBondContact O-N 3.29Å; S259-Y278 PolarHBondContact OG-O 3.12Å
260S97.6Very high90.8Very high54 Ų5448.9 Ų48.938%0.37829%0.286SS..SBendtrans54.233.2179.1-56.50000113.7F206 G277F206-S260 WeakPolarHBondContact CB-OG 3.3Å; F206-S260 PolarHBondContact O-N 3.06Å; S260-G277 WeakPolarHBondContact O-CA 3.43Å
261A97.6Very high90.7Very high16 Ų1645.8 Ų45.813%0.13227%0.271CS..  trans-77.6161.1177.500000111.3L208 I258 S259 I274L208-A261 HydrophobicContact CD1-CB 3.93Å; L208-A261 HydrophobicContact CD2-CB 4.45Å; L208-A261 WeakPolarHBondContact CD2-O 3.21Å; L208-A261 HydrophobicContact CG-CB 4.27Å; I258-A261 HydrophobicContact CD1-CB 4.01Å; S259-A261 PolarHBondContact O-N 3.2Å; S259-A261 VanDerWaalsContact O-N 3.16Å; A261-I274 HydrophobicContact CB-CG2 3.9Å
262I97.6Very high90.7Very high15 Ų1542.5 Ų42.58%0.07726%0.255CS..EExtended strand (participates in β ladder)trans-103.9128.1175.5-57.4165000107.2I274 L275 A328 I330I262-I274 WeakPolarHBondContact O-CA 3.31Å; I262-L275 HydrophobicContact CB-CD2 4Å; I262-L275 HydrophobicContact CB-CG 4.21Å; I262-L275 HydrophobicContact CG2-CD2 4.02Å; I262-L275 PolarHBondContact N-O 2.9Å; I262-L275 PolarHBondContact O-N 2.98Å; I262-A328 HydrophobicContact CG2-CB 4.2Å; I262-I330 HydrophobicContact CD1-CG1 4.47Å
263A96.3Very high90.8Very high29 Ų2940.4 Ų40.424%0.2424%0.244CC..EExtended strand (participates in β ladder)trans-106.1125.4168.800000109.2L208 L210 I273L208-A263 HydrophobicContact CD2-CB 4.06Å; L210-A263 HydrophobicContact CD2-CB 4Å; A263-I273 WeakPolarHBondContact CA-O 3.35Å
264T94.3Very high91.4Very high0 Ų033.4 Ų33.40%021%0.207CC..EExtended strand (participates in β ladder)trans-121.8128.5175.2-165.10000110.2Y272 I273 L275 S322 S327 F351T264-Y272 CarbonylContact O-C 3.58Å; T264-Y272 WeakPolarHBondContact O-CA 3.4Å; T264-I273 HydrophobicContact CG2-CB 4.1Å; T264-I273 PolarHBondContact N-O 2.93Å; T264-I273 PolarHBondContact O-N 3.28Å; T264-L275 HydrophobicContact CG2-CD2 4.22Å; T264-S322 WeakPolarHBondContact CB-OG 3.34Å; T264-S322 PolarHBondContact OG1-OG 3.26Å; T264-S327 PolarHBondContact OG1-O 3.34Å; T264-F351 HydrophobicContact CG2-CD2 3.8Å; T264-F351 HydrophobicContact CG2-CE2 3.89Å
265R90.9Very high92Very high79 Ų7929.8 Ų29.830%0.29818%0.184SC..EExtended strand (participates in β ladder)trans-77.3133.5-178.7-166.5179.5-176.6164.63.9110.2P268 S269 E271 Y272 G326R265-P268 PolarHBondContact NH2-O 3.44Å; R265-S269 PolarHBondContact NE-O 2.9Å; R265-S269 PolarHBondContact NH2-O 3.16Å; R265-E271 CarbonylContact C-O 3.57Å; R265-E271 WeakPolarHBondContact CA-O 3.29Å; R265-E271 WeakPolarHBondContact CG-O 3.43Å; R265-Y272 HydrophobicContact CB-CD1 3.99Å; R265-Y272 HydrophobicContact CB-CE1 4.03Å; R265-Y272 HydrophobicContact CG-CD1 4.21Å; R265-Y272 HydrophobicContact CG-CE1 4Å; R265-G326 PolarHBondContact O-N 2.86Å
266V87.3Confident92.2Very high7 Ų729 Ų294%0.04218%0.176CC..  trans-108.699.5179.8-173.80000108.8E271 I273 K353V266-E271 HydrophobicContact CB-CG 4.46Å; V266-E271 PolarHBondContact N-O 2.84Å; V266-I273 HydrophobicContact CG2-CB 4.31Å; V266-I273 HydrophobicContact CG2-CD1 3.47Å; V266-I273 VanDerWaalsContact CG2-CD1 3.47Å; V266-I273 HydrophobicContact CG2-CG1 3.62Å; V266-K353 HydrophobicContact CG1-CG 4.41Å
267G76.9Confident92.4Very high30 Ų3027.6 Ų27.631%0.30917%0.169SC..SBendtrans78.3-168.9-18000000114.9
268P72.1Confident92.5Very high110 Ų11027.3 Ų27.371%0.71416%0.161SC*.SBendtrans-81.9-19.9-17432.4-34.6000113.5R265R265-P268 PolarHBondContact NH2-O 3.44Å
269S79.1Confident92.4Very high58 Ų5829.6 Ų29.641%0.40617%0.172SC..SBendtrans-63.5160.6171.4380000110.9R265 E271R265-S269 PolarHBondContact NE-O 2.9Å; R265-S269 PolarHBondContact NH2-O 3.16Å; S269-E271 PolarHBondContact O-N 3.37Å
270H91.1Very high92.2Very high48 Ų4831 Ų3122%0.22218%0.182CC..SBendtrans-76.352.6167.7-71.7-90.9000110.4Y272 L293H270-Y272 VanDerWaalsContact C-CE2 3.45Å; H270-Y272 HydrophobicContact CB-CE2 3.97Å; H270-Y272 PolarHBondContact ND1-OH 2.97Å; H270-Y272 WeakPolarHBondContact O-CD2 3.49Å; H270-Y272 WeakPolarHBondContact O-CE2 3.41Å; H270-L293 HydrophobicContact CB-CB 3.83Å; H270-L293 HydrophobicContact CB-CG 4.42Å; H270-L293 PolarHBondContact O-N 2.78Å
271E94Very high91.8Very high54 Ų5432.9 Ų32.925%0.25219%0.185SC..EExtended strand (participates in β ladder)trans-104.6130.6174.9-177.6-178.7171.100108.9R265 V266 S269 V291 V292 R303R265-E271 CarbonylContact C-O 3.57Å; R265-E271 WeakPolarHBondContact CA-O 3.29Å; R265-E271 WeakPolarHBondContact CG-O 3.43Å; V266-E271 HydrophobicContact CB-CG 4.46Å; V266-E271 PolarHBondContact N-O 2.84Å; S269-E271 PolarHBondContact O-N 3.37Å; E271-V291 CarbonylContact C-O 3.6Å; E271-V291 WeakPolarHBondContact CA-O 3.34Å; E271-V292 HydrophobicContact CG-CG2 4.14Å; E271-R303 IonicContact OE1-NH1 3.77Å
272Y95.4Very high91.4Very high24 Ų2438.6 Ų38.69%0.09422%0.218CC..EExtended strand (participates in β ladder)trans-130.3147.7-175.5-54.1-94.5000109.5L210 T264 R265 H270 S290 V291 L293L210-Y272 HydrophobicContact CD1-CD2 4.12Å; L210-Y272 HydrophobicContact CD1-CG 4.32Å; L210-Y272 HydrophobicContact CD2-CD1 4.05Å; L210-Y272 HydrophobicContact CD2-CD2 4.48Å; L210-Y272 HydrophobicContact CD2-CE1 4.2Å; L210-Y272 HydrophobicContact CD2-CG 4.2Å; T264-Y272 CarbonylContact O-C 3.58Å; T264-Y272 WeakPolarHBondContact O-CA 3.4Å; R265-Y272 HydrophobicContact CB-CD1 3.99Å; R265-Y272 HydrophobicContact CB-CE1 4.03Å; R265-Y272 HydrophobicContact CG-CD1 4.21Å; R265-Y272 HydrophobicContact CG-CE1 4Å; H270-Y272 VanDerWaalsContact C-CE2 3.45Å; H270-Y272 HydrophobicContact CB-CE2 3.97Å; H270-Y272 PolarHBondContact ND1-OH 2.97Å; H270-Y272 WeakPolarHBondContact O-CD2 3.49Å; H270-Y272 WeakPolarHBondContact O-CE2 3.41Å; Y272-S290 CarbonylContact O-C 3.57Å; Y272-S290 WeakPolarHBondContact O-CA 3.39Å; Y272-V291 PolarHBondContact N-O 2.97Å; Y272-V291 PolarHBondContact O-N 2.85Å; Y272-L293 HydrophobicContact CE2-CD1 3.95Å; Y272-L293 HydrophobicContact CE2-CG 4.1Å
273I96Very high91.2Very high0 Ų043 Ų430%024%0.238CC..EExtended strand (participates in β ladder)trans-106.6125.4162.6-66.5169.5000108A263 T264 V266 C288 S289 R303 F351A263-I273 WeakPolarHBondContact CA-O 3.35Å; T264-I273 HydrophobicContact CG2-CB 4.1Å; T264-I273 PolarHBondContact N-O 2.93Å; T264-I273 PolarHBondContact O-N 3.28Å; V266-I273 HydrophobicContact CG2-CB 4.31Å; V266-I273 HydrophobicContact CG2-CD1 3.47Å; V266-I273 VanDerWaalsContact CG2-CD1 3.47Å; V266-I273 HydrophobicContact CG2-CG1 3.62Å; I273-C288 HydrophobicContact CG2-CB 4.49Å; I273-S289 CarbonylContact C-O 3.59Å; I273-S289 WeakPolarHBondContact CA-O 3.45Å; I273-R303 VanDerWaalsContact CD1-NH1 3.33Å; I273-F351 HydrophobicContact CB-CD2 4.42Å; I273-F351 HydrophobicContact CB-CE2 4.47Å; I273-F351 HydrophobicContact CB-CG 4.49Å; I273-F351 HydrophobicContact CD1-CB 3.27Å; I273-F351 HydrophobicContact CD1-CD1 3.38Å; I273-F351 HydrophobicContact CD1-CD2 3.92Å; I273-F351 HydrophobicContact CD1-CE1 4.14Å; I273-F351 HydrophobicContact CD1-CG 3.25Å; I273-F351 HydrophobicContact CG1-CG 4.47Å; I273-F351 HydrophobicContact CG2-CD1 4Å; I273-F351 HydrophobicContact CG2-CD2 4.29Å; I273-F351 HydrophobicContact CG2-CE1 3.62Å; I273-F351 HydrophobicContact CG2-CE2 3.96Å; I273-F351 HydrophobicContact CG2-CG 4.32Å; I273-F351 HydrophobicContact CG2-CZ 3.6Å
274I97.1Very high91.1Very high0 Ų042.6 Ų42.60%023%0.231CC..EExtended strand (participates in β ladder)trans-95120.7169.8-59.1178000107.7L208 L219 L256 I258 A261 I262 C288 S289 V291L208-I274 HydrophobicContact CD1-CB 4.46Å; L208-I274 HydrophobicContact CD1-CD1 3.6Å; L208-I274 HydrophobicContact CD1-CG1 3.89Å; L208-I274 HydrophobicContact CD1-CG2 3.74Å; L219-I274 HydrophobicContact CD2-CD1 3.89Å; L256-I274 HydrophobicContact CD1-CD1 4.16Å; I258-I274 HydrophobicContact CD1-CG2 3.87Å; A261-I274 HydrophobicContact CB-CG2 3.9Å; I262-I274 WeakPolarHBondContact O-CA 3.31Å; I274-C288 CarbonylContact O-C 3.54Å; I274-C288 WeakPolarHBondContact O-CA 3.35Å; I274-S289 PolarHBondContact N-O 3.48Å; I274-S289 PolarHBondContact O-N 2.77Å; I274-V291 HydrophobicContact CD1-CB 4.43Å; I274-V291 HydrophobicContact CD1-CG2 3.39Å; I274-V291 HydrophobicContact CG1-CG2 3.91Å
275L96.3Very high91.2Very high0 Ų042.8 Ų42.80%023%0.232CC..EExtended strand (participates in β ladder)trans-131.5165.5172.870.7155.2000109.1I262 T264 A328 I330 V349 F351I262-L275 HydrophobicContact CB-CD2 4Å; I262-L275 HydrophobicContact CB-CG 4.21Å; I262-L275 HydrophobicContact CG2-CD2 4.02Å; I262-L275 PolarHBondContact N-O 2.9Å; I262-L275 PolarHBondContact O-N 2.98Å; T264-L275 HydrophobicContact CG2-CD2 4.22Å; L275-A328 HydrophobicContact CD1-CB 4Å; L275-A328 HydrophobicContact CD2-CB 4.11Å; L275-I330 HydrophobicContact CD1-CD1 4.03Å; L275-V349 HydrophobicContact CD1-CB 4.28Å; L275-V349 HydrophobicContact CD1-CG1 4.35Å; L275-V349 HydrophobicContact CD1-CG2 4.26Å; L275-F351 HydrophobicContact CB-CZ 4.16Å; L275-F351 HydrophobicContact CD1-CE2 4.06Å; L275-F351 HydrophobicContact CD1-CZ 3.87Å; L275-F351 HydrophobicContact CD2-CE2 3.83Å; L275-F351 HydrophobicContact CD2-CZ 4.02Å; L275-F351 HydrophobicContact CG-CE2 4.44Å; L275-F351 HydrophobicContact CG-CZ 4.22Å
276G95.3Very high91.4Very high1 Ų141.5 Ų41.51%0.0123%0.23CC..  trans82.3-173.8172.400000113.9W318G276-W318 VanDerWaalsContact C-CZ2 3.46Å
277G96.7Very high91.7Very high1 Ų146.8 Ų46.81%0.0125%0.254CS..  trans87.5-164.7174.200000114S259 S260 R285 W318S259-G277 CarbonylContact O-C 3.57Å; S259-G277 WeakPolarHBondContact O-CA 3.37Å; S260-G277 WeakPolarHBondContact O-CA 3.43Å; G277-R285 PolarHBondContact O-N 2.71Å; G277-W318 VanDerWaalsContact N-NE1 3.15Å; G277-W318 PolarHBondContact O-NE1 2.83Å
278Y97.4Very high92.6Very high39 Ų3945.4 Ų45.415%0.15324%0.24CC..BIsolated β-bridgetrans-133.7134.4-170.5-58.3-94.2000110.6R229 I258 S259 K284 T317 W318R229-Y278 VanDerWaalsContact CD-O 3.31Å; R229-Y278 WeakPolarHBondContact CD-O 3.48Å; I258-Y278 CarbonylContact C-O 3.6Å; I258-Y278 WeakPolarHBondContact CA-O 3.29Å; S259-Y278 PolarHBondContact N-O 2.83Å; S259-Y278 PolarHBondContact O-N 3.29Å; S259-Y278 PolarHBondContact OG-O 3.12Å; Y278-K284 HydrophobicContact CD1-CG 4.18Å; Y278-K284 HydrophobicContact CE1-CG 3.94Å; Y278-T317 WeakPolarHBondContact OH-CA 3.24Å; Y278-T317 WeakPolarHBondContact OH-CB 3.35Å; Y278-W318 AromaticContact CZ-CD1 3.78Å; Y278-W318 PolarHBondContact OH-N 2.77Å; Y278-W318 PolarHBondContact OH-O 3.08Å
279Q94.4Very high93.8Very high52 Ų5240.4 Ų40.424%0.24321%0.207CC..SBendtrans-88.9-32.9173.6-75.9172.9-11.500111.5R229 Q283 R285R229-Q279 WeakPolarHBondContact CD-O 3.26Å; Q279-Q283 PolarHBondContact N-O 3.12Å; Q279-R285 HydrophobicContact CG-CB 3.97Å; Q279-R285 HydrophobicContact CG-CG 4.25Å
280S92.3Very high94.5Very high34 Ų3438.2 Ų38.224%0.23819%0.192CC..SBendtrans-143.6-179.5172.573.10000109T282 Q283S280-T282 PolarHBondContact O-N 3.24Å; S280-T282 PolarHBondContact OG-N 2.89Å; S280-T282 PolarHBondContact OG-OG1 3.04Å; S280-Q283 PolarHBondContact N-O 3.37Å; S280-Q283 WeakPolarHBondContact OG-CB 3.45Å; S280-Q283 PolarHBondContact OG-N 3.26Å; S280-Q283 VanDerWaalsContact OG-N 3.07Å
281E88.9Confident94.8Very high94 Ų9436 Ų3644%0.43918%0.182SC..SBendtrans-63.9-31.4175-60-162131.500113
282T89.3Confident94.8Very high136 Ų13635.8 Ų35.883%0.83418%0.184SC*.SBendtrans-100.7-7.7-176.156.60000113.4S280S280-T282 PolarHBondContact O-N 3.24Å; S280-T282 PolarHBondContact OG-N 2.89Å; S280-T282 PolarHBondContact OG-OG1 3.04Å
283Q93.6Very high94.8Very high107 Ų10735 Ų3550%0.518%0.182SC..  trans-126.6111.8-172.6-167175.711.800112.3Q279 S280Q279-Q283 PolarHBondContact N-O 3.12Å; S280-Q283 PolarHBondContact N-O 3.37Å; S280-Q283 WeakPolarHBondContact OG-CB 3.45Å; S280-Q283 PolarHBondContact OG-N 3.26Å; S280-Q283 VanDerWaalsContact OG-N 3.07Å
284K95.9Very high94.7Very high20 Ų2038 Ų389%0.08720%0.198CC..BIsolated β-bridgetrans-66.4147.3166.4-54.4-166.1-47.3-60.50110.4Y278 M286 I312 S313 S315 W318Y278-K284 HydrophobicContact CD1-CG 4.18Å; Y278-K284 HydrophobicContact CE1-CG 3.94Å; K284-M286 HydrophobicContact CB-SD 4.22Å; K284-M286 PolarHBondContact O-N 2.88Å; K284-I312 WeakPolarHBondContact CE-O 3.39Å; K284-I312 PolarHBondContact NZ-O 2.87Å; K284-S313 PolarHBondContact NZ-O 3.3Å; K284-S313 VanDerWaalsContact NZ-O 3.15Å; K284-S315 WeakPolarHBondContact CE-O 3.27Å; K284-S315 PolarHBondContact NZ-O 2.85Å; K284-W318 HydrophobicContact CB-CZ2 4.22Å; K284-W318 HydrophobicContact CD-CB 4.38Å; K284-W318 HydrophobicContact CD-CD2 4.19Å; K284-W318 HydrophobicContact CD-CG 3.94Å
285R95.6Very high94.4Very high5 Ų545 Ų452%0.01924%0.235CC..  trans-84.5107.2173-179.3164.7178.1-118.23.8111.6G277 Q279 E287 S289 W318G277-R285 PolarHBondContact O-N 2.71Å; Q279-R285 HydrophobicContact CG-CB 3.97Å; Q279-R285 HydrophobicContact CG-CG 4.25Å; R285-E287 HydrophobicContact CG-CB 4.41Å; R285-S289 PolarHBondContact NH2-OG 2.92Å; R285-W318 WeakPolarHBondContact O-CH2 3.43Å; R285-W318 WeakPolarHBondContact O-CZ2 3.44Å
286M95.4Very high94.1Very high52 Ų5250.2 Ų50.226%0.25627%0.272SS..  trans-85.2-13-179.6-55.2-56.2-70.600113.9K284 A305 W308 I312 W318K284-M286 HydrophobicContact CB-SD 4.22Å; K284-M286 PolarHBondContact O-N 2.88Å; M286-A305 WeakPolarHBondContact O-CB 3.05Å; M286-W308 HydrophobicContact CE-CB 3.84Å; M286-W308 VanDerWaalsContact CE-CD1 3.44Å; M286-W308 HydrophobicContact CE-CD2 4.12Å; M286-W308 HydrophobicContact CE-CG 3.52Å; M286-W308 PolarHBondContact O-NE1 3.31Å; M286-I312 HydrophobicContact CE-CG2 4.23Å; M286-W318 HydrophobicContact SD-CH2 4.25Å
287E94.1Very high93.9Very high117 Ų11750.8 Ų50.855%0.54728%0.278SS..  trans-82.4152-178.9-64.6166.4-166.600112.9R285R285-E287 HydrophobicContact CG-CB 4.41Å
288C95.6Very high93.9Very high2 Ų251.8 Ų51.81%0.01428%0.282CS..EExtended strand (participates in β ladder)trans-108.2153.8170.2-65.90000110.6I273 I274 R303I273-C288 HydrophobicContact CG2-CB 4.49Å; I274-C288 CarbonylContact O-C 3.54Å; I274-C288 WeakPolarHBondContact O-CA 3.35Å; C288-R303 HydrophobicContact CB-CB 4.31Å; C288-R303 PolarHBondContact O-N 3.24Å; C288-R303 VanDerWaalsContact O-O 3.09Å
289S96.1Very high93.8Very high4 Ų452.1 Ų52.13%0.02829%0.291CS..EExtended strand (participates in β ladder)trans-132.4141.8171.7-64.10000111I273 I274 R285 E301I273-S289 CarbonylContact C-O 3.59Å; I273-S289 WeakPolarHBondContact CA-O 3.45Å; I274-S289 PolarHBondContact N-O 3.48Å; I274-S289 PolarHBondContact O-N 2.77Å; R285-S289 PolarHBondContact NH2-OG 2.92Å; S289-E301 CarbonylContact C-O 3.5Å; S289-E301 VanDerWaalsContact CA-O 3.25Å; S289-E301 WeakPolarHBondContact CA-O 3.5Å
290S95.1Very high93.9Very high13 Ų1351.2 Ų51.29%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-84138162.7-148.70000109Y272 I300 E301Y272-S290 CarbonylContact O-C 3.57Å; Y272-S290 WeakPolarHBondContact O-CA 3.39Å; S290-I300 WeakPolarHBondContact O-CA 3.32Å; S290-E301 PolarHBondContact N-O 3.16Å; S290-E301 PolarHBondContact O-N 3.01Å
291V96.2Very high94Very high0 Ų055.4 Ų55.40%030%0.303CS..EExtended strand (participates in β ladder)trans-128.2123173.1178.50000108.9L210 E271 Y272 I274 L293 I298 S299 I300L210-V291 HydrophobicContact CD1-CB 4.3Å; L210-V291 HydrophobicContact CD1-CG1 3.71Å; E271-V291 CarbonylContact C-O 3.6Å; E271-V291 WeakPolarHBondContact CA-O 3.34Å; Y272-V291 PolarHBondContact N-O 2.97Å; Y272-V291 PolarHBondContact O-N 2.85Å; I274-V291 HydrophobicContact CD1-CB 4.43Å; I274-V291 HydrophobicContact CD1-CG2 3.39Å; I274-V291 HydrophobicContact CG1-CG2 3.91Å; V291-L293 HydrophobicContact CG1-CD2 4.15Å; V291-I298 HydrophobicContact CG1-CD1 3.77Å; V291-I298 HydrophobicContact CG1-CG1 3.79Å; V291-S299 CarbonylContact C-O 3.48Å; V291-S299 VanDerWaalsContact CA-O 3.29Å; V291-S299 WeakPolarHBondContact CA-O 3.27Å; V291-I300 HydrophobicContact CG1-CG1 4.44Å; V291-I300 HydrophobicContact CG2-CB 4.43Å; V291-I300 HydrophobicContact CG2-CD1 4.32Å; V291-I300 HydrophobicContact CG2-CG1 4.01Å; V291-I300 HydrophobicContact CG2-CG2 4.12Å
292V95.4Very high94.3Very high51 Ų5156.7 Ų56.731%0.30932%0.32SS..EExtended strand (participates in β ladder)trans-114.2127.1177.4-178.40000108.2E271 S299E271-V292 HydrophobicContact CG-CG2 4.14Å; V292-S299 PolarHBondContact N-O 2.83Å; V292-S299 PolarHBondContact O-N 2.82Å
293L95.4Very high94.4Very high7 Ų753.8 Ų53.84%0.03729%0.293CS..EExtended strand (participates in β ladder)trans-103.4118.1168.5-48.1-177.9000109.1L210 R212 Y217 H270 Y272 V291 G297 I298L210-L293 HydrophobicContact CB-CD1 3.84Å; R212-L293 HydrophobicContact CB-CB 4.31Å; R212-L293 HydrophobicContact CB-CD1 3.98Å; Y217-L293 HydrophobicContact CD2-CD1 3.87Å; Y217-L293 HydrophobicContact CD2-CD2 3.68Å; Y217-L293 HydrophobicContact CD2-CG 4.38Å; Y217-L293 HydrophobicContact CE2-CD1 4.13Å; Y217-L293 HydrophobicContact CE2-CD2 3.87Å; Y217-L293 HydrophobicContact CE2-CG 4.44Å; Y217-L293 HydrophobicContact CG-CD2 4.2Å; H270-L293 HydrophobicContact CB-CB 3.83Å; H270-L293 HydrophobicContact CB-CG 4.42Å; H270-L293 PolarHBondContact O-N 2.78Å; Y272-L293 HydrophobicContact CE2-CD1 3.95Å; Y272-L293 HydrophobicContact CE2-CG 4.1Å; V291-L293 HydrophobicContact CG1-CD2 4.15Å; L293-G297 WeakPolarHBondContact CA-O 3.25Å; L293-I298 HydrophobicContact CD2-CB 3.81Å; L293-I298 HydrophobicContact CD2-CD1 3.84Å; L293-I298 HydrophobicContact CD2-CG1 3.65Å
294D92.4Very high94.2Very high63 Ų6356.4 Ų56.434%0.33731%0.306SS..EExtended strand (participates in β ladder)trans-136.6-173.5177.96925.8000110.9R212 S296 G297R212-D294 VanDerWaalsContact NH1-CA 3.29Å; R212-D294 PolarHBondContact NH1-O 2.84Å; D294-S296 PolarHBondContact O-N 2.82Å; D294-S296 WeakPolarHBondContact OD1-CA 3.44Å; D294-S296 VanDerWaalsContact OD1-CB 3.3Å; D294-S296 WeakPolarHBondContact OD1-CB 3.21Å; D294-S296 PolarHBondContact OD1-N 2.92Å; D294-S296 PolarHBondContact OD1-OG 2.93Å; D294-G297 PolarHBondContact N-O 2.86Å; D294-G297 PolarHBondContact O-N 2.78Å; D294-G297 PolarHBondContact OD1-N 2.77Å
295D90.8Very high93.9Very high147 Ų14757.1 Ų57.179%0.78632%0.315SS*.THydrogen-bonded Turntrans-68-16.3-174.4-61-22000112.7R212R212-D295 IonicContact CZ-OD1 3.67Å; R212-D295 VanDerWaalsContact CZ-OD1 3.27Å; R212-D295 IonicContact NH1-OD1 3.81Å; R212-D295 PolarHBondContact NH1-OD1 2.95Å; R212-D295 IonicContact NH2-OD1 2.63Å; R212-D295 PolarHBondContact NH2-OD1 2.84Å
296S90.3Very high93.6Very high110 Ų11057.3 Ų57.377%0.76932%0.317SS*.THydrogen-bonded Turntrans-86.6-10.7174.176.60000113.1D294D294-S296 PolarHBondContact O-N 2.82Å; D294-S296 WeakPolarHBondContact OD1-CA 3.44Å; D294-S296 VanDerWaalsContact OD1-CB 3.3Å; D294-S296 WeakPolarHBondContact OD1-CB 3.21Å; D294-S296 PolarHBondContact OD1-N 2.92Å; D294-S296 PolarHBondContact OD1-OG 2.93Å
297G92.1Very high93.5Very high13 Ų1363.5 Ų63.513%0.13435%0.345CS..EExtended strand (participates in β ladder)trans120.9-131.7176.500000112.3Y217 L293 D294Y217-G297 WeakPolarHBondContact OH-CA 3.25Å; L293-G297 WeakPolarHBondContact CA-O 3.25Å; D294-G297 PolarHBondContact N-O 2.86Å; D294-G297 PolarHBondContact O-N 2.78Å; D294-G297 PolarHBondContact OD1-N 2.77Å
298I95.8Very high93.6Very high21 Ų2159.8 Ų59.811%0.10833%0.326CS..EExtended strand (participates in β ladder)trans-111126.5-178-176.2166.8000111Y217 L219 V233 L252 V291 L293 I300Y217-I298 HydrophobicContact CD1-CB 3.78Å; Y217-I298 HydrophobicContact CD1-CD1 4.18Å; Y217-I298 HydrophobicContact CD1-CG2 3.66Å; Y217-I298 HydrophobicContact CE1-CB 3.8Å; Y217-I298 HydrophobicContact CE1-CG2 3.74Å; Y217-I298 HydrophobicContact CG-CB 4.33Å; Y217-I298 HydrophobicContact CG-CD1 4.13Å; L219-I298 HydrophobicContact CD1-CD1 3.88Å; L219-I298 HydrophobicContact CD2-CD1 3.88Å; L219-I298 HydrophobicContact CG-CD1 4.15Å; V233-I298 HydrophobicContact CG1-CD1 4.34Å; V233-I298 HydrophobicContact CG1-CG2 4.33Å; L252-I298 HydrophobicContact CD1-CG2 3.5Å; V291-I298 HydrophobicContact CG1-CD1 3.77Å; V291-I298 HydrophobicContact CG1-CG1 3.79Å; L293-I298 HydrophobicContact CD2-CB 3.81Å; L293-I298 HydrophobicContact CD2-CD1 3.84Å; L293-I298 HydrophobicContact CD2-CG1 3.65Å; I298-I300 HydrophobicContact CD1-CD1 4.15Å; I298-I300 HydrophobicContact CD1-CG1 4.24Å; I298-I300 HydrophobicContact CG1-CD1 4.46Å; I298-I300 HydrophobicContact CG1-CG1 4.02Å
299S95.2Very high93.5Very high47 Ų4762 Ų6233%0.32934%0.339SS..EExtended strand (participates in β ladder)trans-111134.2168.2-176.70000109.9V291 V292V291-S299 CarbonylContact C-O 3.48Å; V291-S299 VanDerWaalsContact CA-O 3.29Å; V291-S299 WeakPolarHBondContact CA-O 3.27Å; V292-S299 PolarHBondContact N-O 2.83Å; V292-S299 PolarHBondContact O-N 2.82Å
300I96.4Very high93.4Very high32 Ų3263.8 Ų63.816%0.16436%0.359CS..EExtended strand (participates in β ladder)trans-124.4120.4178-51.8-166.5000108.6L219 V233 T254 L256 S290 V291 I298L219-I300 HydrophobicContact CD2-CD1 3.56Å; V233-I300 HydrophobicContact CG2-CD1 4.33Å; T254-I300 WeakPolarHBondContact O-CD1 3.37Å; L256-I300 HydrophobicContact CD1-CG2 3.94Å; L256-I300 HydrophobicContact CD2-CG2 4.05Å; L256-I300 HydrophobicContact CG-CD1 4.36Å; L256-I300 HydrophobicContact CG-CG2 4.07Å; S290-I300 WeakPolarHBondContact O-CA 3.32Å; V291-I300 HydrophobicContact CG1-CG1 4.44Å; V291-I300 HydrophobicContact CG2-CB 4.43Å; V291-I300 HydrophobicContact CG2-CD1 4.32Å; V291-I300 HydrophobicContact CG2-CG1 4.01Å; V291-I300 HydrophobicContact CG2-CG2 4.12Å; I298-I300 HydrophobicContact CD1-CD1 4.15Å; I298-I300 HydrophobicContact CD1-CG1 4.24Å; I298-I300 HydrophobicContact CG1-CD1 4.46Å; I298-I300 HydrophobicContact CG1-CG1 4.02Å
301E94.9Very high93.3Very high122 Ų12268.1 Ų68.157%0.5738%0.378SS*.EExtended strand (participates in β ladder)trans-124.2136-179.7-65.6-174.217300110.5S289 S290S289-E301 CarbonylContact C-O 3.5Å; S289-E301 VanDerWaalsContact CA-O 3.25Å; S289-E301 WeakPolarHBondContact CA-O 3.5Å; S290-E301 PolarHBondContact N-O 3.16Å; S290-E301 PolarHBondContact O-N 3.01Å
302P94.4Very high93.2Very high122 Ų12268.1 Ų68.179%0.79238%0.378SS*.EExtended strand (participates in β ladder)trans-58141170.4-21.232.5000110.8
303R91.3Very high93.2Very high75 Ų7568.1 Ų68.128%0.28338%0.38SS..EExtended strand (participates in β ladder)trans-127.1143.2176.7-155.3176.8176.3145.7-5.5109.2M1 E271 I273 C288 A305M1-R303 HydrophobicContact CE-CB 4.26Å; M1-R303 HydrophobicContact CE-CG 3.4Å; M1-R303 VanDerWaalsContact CE-CG 3.4Å; E271-R303 IonicContact OE1-NH1 3.77Å; I273-R303 VanDerWaalsContact CD1-NH1 3.33Å; C288-R303 HydrophobicContact CB-CB 4.31Å; C288-R303 PolarHBondContact O-N 3.24Å; C288-R303 VanDerWaalsContact O-O 3.09Å; R303-A305 PolarHBondContact O-N 3.19Å
304E89.3Confident93Very high162 Ų16275.3 Ų75.376%0.75741%0.413SS*.PPolyproline II helixtrans-54.4129.7176.5-169.8-177.6179.700109.9M1M1-E304 WeakPolarHBondContact CE-O 2.88Å
305A90.1Very high93Very high34 Ų3472.8 Ų72.828%0.28140%0.4SS..PPolyproline II helixtrans-77.3152.6177.600000110.6M286 R303M286-A305 WeakPolarHBondContact O-CB 3.05Å; R303-A305 PolarHBondContact O-N 3.19Å
306P90.5Very high93.1Very high9 Ų972.6 Ų72.66%0.05839%0.394CS..PPolyproline II helixtrans-62.1157.9168.829.8-35.2000110.4M1 L3 W308 V349M1-P306 HydrophobicContact CB-CB 4.47Å; L3-P306 HydrophobicContact CB-CB 4.33Å; P306-W308 HydrophobicContact CG-CD2 4Å; P306-W308 HydrophobicContact CG-CE3 3.98Å; P306-W308 HydrophobicContact CG-CH2 3.45Å; P306-W308 VanDerWaalsContact CG-CH2 3.45Å; P306-W308 HydrophobicContact CG-CZ2 3.47Å; P306-W308 VanDerWaalsContact CG-CZ2 3.47Å; P306-W308 HydrophobicContact CG-CZ3 3.7Å; P306-W308 PolarHBondContact O-N 3.07Å; P306-V349 HydrophobicContact CG-CG1 4.19Å
307Q92.8Very high93.3Very high182 Ų18270.3 Ų70.385%0.8538%0.376SS*.  trans-66.294.3172.2-70.2-97.6-34.500109.2L3L3-Q307 WeakPolarHBondContact CD2-O 3.42Å
308W95.4Very high93.6Very high40 Ų4070.3 Ų70.315%0.15237%0.372CS..  trans-67.2131.3179.8-60.6116.9000111L3 M286 P306 I312 W318 I330 V349L3-W308 HydrophobicContact CD1-CE3 4.39Å; L3-W308 HydrophobicContact CD1-CZ3 4.13Å; L3-W308 HydrophobicContact CD2-CE3 4.16Å; M286-W308 HydrophobicContact CE-CB 3.84Å; M286-W308 VanDerWaalsContact CE-CD1 3.44Å; M286-W308 HydrophobicContact CE-CD2 4.12Å; M286-W308 HydrophobicContact CE-CG 3.52Å; M286-W308 PolarHBondContact O-NE1 3.31Å; P306-W308 HydrophobicContact CG-CD2 4Å; P306-W308 HydrophobicContact CG-CE3 3.98Å; P306-W308 HydrophobicContact CG-CH2 3.45Å; P306-W308 VanDerWaalsContact CG-CH2 3.45Å; P306-W308 HydrophobicContact CG-CZ2 3.47Å; P306-W308 VanDerWaalsContact CG-CZ2 3.47Å; P306-W308 HydrophobicContact CG-CZ3 3.7Å; P306-W308 PolarHBondContact O-N 3.07Å; W308-I312 HydrophobicContact CD2-CG2 4.32Å; W308-I312 HydrophobicContact CE3-CD1 3.82Å; W308-I312 HydrophobicContact CE3-CG2 3.9Å; W308-I312 HydrophobicContact CZ3-CD1 4.22Å; W308-I312 HydrophobicContact CZ3-CG2 4.49Å; W308-W318 AromaticContact CH2-CZ3 3.99Å; W308-W318 HydrophobicContact CH2-CZ3 3.99Å; W308-W318 HydrophobicContact CZ2-CH2 4.32Å; W308-W318 HydrophobicContact CZ2-CZ3 4.15Å; W308-W318 HydrophobicContact CZ3-CZ3 4.27Å; W308-I330 HydrophobicContact CH2-CD1 3.73Å; W308-I330 HydrophobicContact CZ3-CD1 3.65Å; W308-V349 HydrophobicContact CH2-CG2 4.24Å; W308-V349 HydrophobicContact CZ3-CG2 4.05Å
309T94.9Very high93.6Very high47 Ų4770.7 Ų70.729%0.28837%0.373SS..  trans-62.2159.7172.2570000111.3L3 E311 I312 S313 Y347L3-T309 HydrophobicContact CD2-CG2 3.94Å; T309-E311 PolarHBondContact O-N 2.83Å; T309-I312 PolarHBondContact O-N 2.87Å; T309-I312 WeakPolarHBondContact OG1-CG1 3.36Å; T309-I312 PolarHBondContact OG1-N 3.27Å; T309-S313 WeakPolarHBondContact O-CB 3.47Å; T309-S313 PolarHBondContact O-N 3.35Å; T309-S313 PolarHBondContact O-OG 2.82Å; T309-S313 VanDerWaalsContact O-OG 3.05Å; T309-Y347 HydrophobicContact CG2-CE1 4.16Å
310G92.8Very high93.7Very high43 Ų4369.9 Ų69.944%0.44337%0.372SS..Hα-helixtrans-55.4-39.1171.600000112.8S313 H314G310-S313 PolarHBondContact O-N 3.06Å; G310-H314 WeakPolarHBondContact O-CB 3.37Å; G310-H314 PolarHBondContact O-N 3.49Å; G310-H314 PolarHBondContact O-ND1 2.81Å
311E92.4Very high93.7Very high103 Ų10369 Ų6948%0.48137%0.37SS..Hα-helixtrans-59.5-51.6178.8-67.5169.8165.500111.9T309 S313 S315 Y347T309-E311 PolarHBondContact O-N 2.83Å; E311-S313 PolarHBondContact O-N 2.85Å; E311-S315 VanDerWaalsContact O-CB 3.23Å; E311-S315 WeakPolarHBondContact O-CB 3.34Å; E311-S315 PolarHBondContact O-N 2.99Å; E311-Y347 WeakPolarHBondContact CB-OH 3.2Å; E311-Y347 PolarHBondContact OE2-OH 3.22Å
312I94.9Very high93.7Very high0 Ų064.8 Ų64.80%035%0.354CS..Hα-helixtrans-62.9-43175.6-61.9171.3000111.9L3 K284 M286 W308 T309 W318 V332 Y347L3-I312 HydrophobicContact CD1-CD1 4.07Å; L3-I312 HydrophobicContact CD2-CD1 3.89Å; K284-I312 WeakPolarHBondContact CE-O 3.39Å; K284-I312 PolarHBondContact NZ-O 2.87Å; M286-I312 HydrophobicContact CE-CG2 4.23Å; W308-I312 HydrophobicContact CD2-CG2 4.32Å; W308-I312 HydrophobicContact CE3-CD1 3.82Å; W308-I312 HydrophobicContact CE3-CG2 3.9Å; W308-I312 HydrophobicContact CZ3-CD1 4.22Å; W308-I312 HydrophobicContact CZ3-CG2 4.49Å; T309-I312 PolarHBondContact O-N 2.87Å; T309-I312 WeakPolarHBondContact OG1-CG1 3.36Å; T309-I312 PolarHBondContact OG1-N 3.27Å; I312-W318 HydrophobicContact CG2-CE3 3.95Å; I312-W318 HydrophobicContact CG2-CZ3 4Å; I312-V332 HydrophobicContact CG1-CG1 4.09Å; I312-Y347 HydrophobicContact CD1-CD1 4.09Å; I312-Y347 HydrophobicContact CD1-CD2 3.69Å; I312-Y347 HydrophobicContact CD1-CE1 4.27Å; I312-Y347 HydrophobicContact CD1-CE2 3.87Å; I312-Y347 HydrophobicContact CD1-CG 3.81Å; I312-Y347 HydrophobicContact CG1-CD2 3.94Å; I312-Y347 HydrophobicContact CG1-CE2 3.65Å
313S94.3Very high93.7Very high52 Ų5259.6 Ų59.636%0.36432%0.32SS..Hα-helixtrans-64.6-46-175.8-63.50000111.9K284 T309 G310 E311K284-S313 PolarHBondContact NZ-O 3.3Å; K284-S313 VanDerWaalsContact NZ-O 3.15Å; T309-S313 WeakPolarHBondContact O-CB 3.47Å; T309-S313 PolarHBondContact O-N 3.35Å; T309-S313 PolarHBondContact O-OG 2.82Å; T309-S313 VanDerWaalsContact O-OG 3.05Å; G310-S313 PolarHBondContact O-N 3.06Å; E311-S313 PolarHBondContact O-N 2.85Å
314H92.1Very high93.6Very high158 Ų15856.4 Ų56.473%0.73131%0.31SS*.Hα-helixtrans-85.2-19-176.9-60.795.3000114G310 H316G310-H314 WeakPolarHBondContact O-CB 3.37Å; G310-H314 PolarHBondContact O-N 3.49Å; G310-H314 PolarHBondContact O-ND1 2.81Å; H314-H316 PolarHBondContact O-N 3.39Å
315S93.6Very high93.4Very high9 Ų951.8 Ų51.86%0.06331%0.306CS..  trans-60.1138.3177.8-174.70000111.6K284 E311 T317 P333K284-S315 WeakPolarHBondContact CE-O 3.27Å; K284-S315 PolarHBondContact NZ-O 2.85Å; E311-S315 VanDerWaalsContact O-CB 3.23Å; E311-S315 WeakPolarHBondContact O-CB 3.34Å; E311-S315 PolarHBondContact O-N 2.99Å; S315-T317 VanDerWaalsContact C-N 3.31Å; S315-T317 PolarHBondContact O-N 3.43Å; S315-T317 PolarHBondContact OG-O 3.08Å; S315-P333 WeakPolarHBondContact OG-CD 3.33Å
316H92.1Very high93.4Very high143 Ų14350.2 Ų50.266%0.66229%0.293SS*.SBendtrans-68.5-30.9177.6-72-69.5000113H314H314-H316 PolarHBondContact O-N 3.39Å
317T94.8Very high93.5Very high62 Ų6250.7 Ų50.738%0.3830%0.297SS..  trans-134.2158.6-174.3620000112.3Y278 S315 P333Y278-T317 WeakPolarHBondContact OH-CA 3.24Å; Y278-T317 WeakPolarHBondContact OH-CB 3.35Å; S315-T317 VanDerWaalsContact C-N 3.31Å; S315-T317 PolarHBondContact O-N 3.43Å; S315-T317 PolarHBondContact OG-O 3.08Å; T317-P333 WeakPolarHBondContact O-CD 3.34Å
318W96.8Very high93.7Very high13 Ų1342 Ų425%0.04926%0.256CS..  trans-148.9161.6168.263.4-7.1000110.3G276 G277 Y278 K284 R285 M286 W308 I312 I330 G331 V332G276-W318 VanDerWaalsContact C-CZ2 3.46Å; G277-W318 VanDerWaalsContact N-NE1 3.15Å; G277-W318 PolarHBondContact O-NE1 2.83Å; Y278-W318 AromaticContact CZ-CD1 3.78Å; Y278-W318 PolarHBondContact OH-N 2.77Å; Y278-W318 PolarHBondContact OH-O 3.08Å; K284-W318 HydrophobicContact CB-CZ2 4.22Å; K284-W318 HydrophobicContact CD-CB 4.38Å; K284-W318 HydrophobicContact CD-CD2 4.19Å; K284-W318 HydrophobicContact CD-CG 3.94Å; R285-W318 WeakPolarHBondContact O-CH2 3.43Å; R285-W318 WeakPolarHBondContact O-CZ2 3.44Å; M286-W318 HydrophobicContact SD-CH2 4.25Å; W308-W318 AromaticContact CH2-CZ3 3.99Å; W308-W318 HydrophobicContact CH2-CZ3 3.99Å; W308-W318 HydrophobicContact CZ2-CH2 4.32Å; W308-W318 HydrophobicContact CZ2-CZ3 4.15Å; W308-W318 HydrophobicContact CZ3-CZ3 4.27Å; I312-W318 HydrophobicContact CG2-CE3 3.95Å; I312-W318 HydrophobicContact CG2-CZ3 4Å; W318-I330 HydrophobicContact CB-CG2 4.31Å; W318-I330 HydrophobicContact CE3-CD1 4.26Å; W318-I330 HydrophobicContact CE3-CG2 3.97Å; W318-I330 HydrophobicContact CZ3-CD1 4.23Å; W318-G331 WeakPolarHBondContact CA-O 3.36Å; W318-V332 HydrophobicContact CB-CG1 4.01Å
319F96.9Very high93.8Very high30 Ų3040.5 Ų40.513%0.13225%0.251CS..EExtended strand (participates in β ladder)trans-148.1170.7171.365-82.3000109.2P17 I330 G331 H344 F346P17-F319 HydrophobicContact CB-CB 4.27Å; P17-F319 HydrophobicContact CB-CD1 4.21Å; P17-F319 HydrophobicContact CB-CG 4.13Å; P17-F319 HydrophobicContact CG-CD1 3.68Å; P17-F319 HydrophobicContact CG-CE1 3.9Å; P17-F319 HydrophobicContact CG-CG 4.09Å; P17-F319 HydrophobicContact CG-CZ 4.49Å; F319-I330 CarbonylContact O-C 3.47Å; F319-I330 WeakPolarHBondContact O-CA 3.43Å; F319-G331 PolarHBondContact N-O 3.14Å; F319-G331 PolarHBondContact O-N 3.1Å; F319-H344 AromaticContact CE1-CD2 3.48Å; F319-H344 VanDerWaalsContact CE1-CD2 3.48Å; F319-H344 WeakPolarHBondContact CE1-CD2 3.31Å; F319-H344 AromaticContact CE1-NE2 3.64Å; F319-H344 AromaticContact CZ-CD2 3.89Å; F319-H344 AromaticContact CZ-NE2 3.99Å; F319-F346 HydrophobicContact CZ-CE1 4.28Å
320G96.5Very high93.9Very high30 Ų3038.3 Ų38.331%0.30924%0.237SC..EExtended strand (participates in β ladder)trans171-168.6-18000000113.1L329G320-L329 CarbonylContact C-O 2.99Å; G320-L329 WeakPolarHBondContact CA-O 3.38Å
321G96.6Very high94Very high12 Ų1236.3 Ų36.312%0.12422%0.217CC..EExtended strand (participates in β ladder)trans-162.7165.3177.500000111.6A328 L329G321-A328 WeakPolarHBondContact O-CA 3.4Å; G321-L329 PolarHBondContact N-O 3.07Å; G321-L329 VanDerWaalsContact N-O 3.1Å; G321-L329 PolarHBondContact O-N 2.7Å
322S95.8Very high94.2Very high34 Ų3431.5 Ų31.524%0.23820%0.195CC..EExtended strand (participates in β ladder)trans-68.7135.6174.2178.40000110.2L21 T264 G324L21-S322 WeakPolarHBondContact CB-O 3.13Å; T264-S322 WeakPolarHBondContact CB-OG 3.34Å; T264-S322 PolarHBondContact OG1-OG 3.26Å; S322-G324 VanDerWaalsContact C-N 3.28Å; S322-G324 PolarHBondContact OG-N 2.92Å
323L94.2Very high94Very high14 Ų1433.2 Ų33.27%0.07321%0.206CC..EExtended strand (participates in β ladder)trans-92.38.5168.9-68.9167.2000111.4L21 I28 L50 S327 L329 Q348L21-L323 HydrophobicContact CD1-CD2 3.91Å; L21-L323 HydrophobicContact CD1-CG 4.42Å; I28-L323 WeakPolarHBondContact CD1-O 3.39Å; I28-L323 HydrophobicContact CG2-CD2 4.13Å; L50-L323 HydrophobicContact CD1-CD1 3.5Å; L50-L323 VanDerWaalsContact CD1-CD1 3.5Å; L50-L323 HydrophobicContact CD1-CD2 3.96Å; L50-L323 HydrophobicContact CD1-CG 4.36Å; L323-S327 PolarHBondContact N-O 2.95Å; L323-L329 HydrophobicContact CD1-CB 4.02Å; L323-L329 HydrophobicContact CD2-CB 4.13Å; L323-L329 HydrophobicContact CG-CB 4Å; L323-Q348 HydrophobicContact CD1-CG 3.95Å
324G88.1Confident93.6Very high7 Ų731.8 Ų31.87%0.07220%0.196CC..EExtended strand (participates in β ladder)trans70174-169.300000113.1Q23 S322 G326 S327Q23-G324 VanDerWaalsContact OE1-CA 3.25Å; S322-G324 VanDerWaalsContact C-N 3.28Å; S322-G324 PolarHBondContact OG-N 2.92Å; G324-G326 VanDerWaalsContact C-N 3.28Å; G324-G326 PolarHBondContact O-N 3.45Å; G324-G326 VanDerWaalsContact O-N 3.16Å; G324-S327 PolarHBondContact O-N 3.35Å
325G85.2Confident92.8Very high65 Ų6530.8 Ų30.867%0.6719%0.192SC*.THydrogen-bonded Turntrans54.638.6171.900000114.7S327G325-S327 VanDerWaalsContact C-N 3.28Å; G325-S327 PolarHBondContact O-N 2.83Å
326G90.1Very high91.5Very high2 Ų232.4 Ų32.42%0.02121%0.21CC..THydrogen-bonded Turntrans66.425.5-177.300000114.2R265 G324 F351R265-G326 PolarHBondContact O-N 2.86Å; G324-G326 VanDerWaalsContact C-N 3.28Å; G324-G326 PolarHBondContact O-N 3.45Å; G324-G326 VanDerWaalsContact O-N 3.16Å; G326-F351 WeakPolarHBondContact O-CB 3.45Å; G326-F351 VanDerWaalsContact O-CD2 3.25Å; G326-F351 WeakPolarHBondContact O-CD2 3.29Å; G326-F351 PolarHBondContact O-N 2.82Å
327S93.9Very high89.9Confident19 Ų1937.7 Ų37.713%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-121.7157.6175.3-61.80000111.9T264 L323 G324 G325 V349T264-S327 PolarHBondContact OG1-O 3.34Å; L323-S327 PolarHBondContact N-O 2.95Å; G324-S327 PolarHBondContact O-N 3.35Å; G325-S327 VanDerWaalsContact C-N 3.28Å; G325-S327 PolarHBondContact O-N 2.83Å; S327-V349 CarbonylContact C-O 3.56Å; S327-V349 WeakPolarHBondContact CA-O 3.05Å
328A96.5Very high88.8Confident0 Ų040.6 Ų40.60%024%0.243CC..EExtended strand (participates in β ladder)trans-144.1149.1176.200000111.2I262 L275 G321 Q348 V349I262-A328 HydrophobicContact CG2-CB 4.2Å; L275-A328 HydrophobicContact CD1-CB 4Å; L275-A328 HydrophobicContact CD2-CB 4.11Å; G321-A328 WeakPolarHBondContact O-CA 3.4Å; A328-Q348 WeakPolarHBondContact O-CA 3.49Å; A328-V349 PolarHBondContact N-O 2.97Å; A328-V349 PolarHBondContact O-N 2.78Å
329L97.2Very high87.3Confident7 Ų744.1 Ų44.14%0.03728%0.276CS..EExtended strand (participates in β ladder)trans-99.5133.6170.7-176.870.4000108.5L6 L21 L55 G320 G321 L323 F346 Y347L6-L329 HydrophobicContact CD1-CD1 3.45Å; L6-L329 VanDerWaalsContact CD1-CD1 3.45Å; L21-L329 HydrophobicContact CD1-CB 3.82Å; L21-L329 HydrophobicContact CD1-CD2 4.1Å; L55-L329 HydrophobicContact CD2-CD1 4.5Å; L55-L329 HydrophobicContact CD2-CD2 4.46Å; G320-L329 CarbonylContact C-O 2.99Å; G320-L329 WeakPolarHBondContact CA-O 3.38Å; G321-L329 PolarHBondContact N-O 3.07Å; G321-L329 VanDerWaalsContact N-O 3.1Å; G321-L329 PolarHBondContact O-N 2.7Å; L323-L329 HydrophobicContact CD1-CB 4.02Å; L323-L329 HydrophobicContact CD2-CB 4.13Å; L323-L329 HydrophobicContact CG-CB 4Å; L329-F346 HydrophobicContact CD1-CB 4.31Å; L329-F346 HydrophobicContact CD1-CD1 4.4Å; L329-F346 HydrophobicContact CD2-CD1 4.41Å; L329-F346 HydrophobicContact CG-CD1 4.42Å; L329-Y347 CarbonylContact C-O 3.57Å; L329-Y347 WeakPolarHBondContact CA-O 3.21Å
330I97.1Very high85.9Confident1 Ų144.6 Ų44.61%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-120.6134.5173.8-62.6178.9000108.6I262 L275 W308 W318 F319 V332 F346 Y347 V349I262-I330 HydrophobicContact CD1-CG1 4.47Å; L275-I330 HydrophobicContact CD1-CD1 4.03Å; W308-I330 HydrophobicContact CH2-CD1 3.73Å; W308-I330 HydrophobicContact CZ3-CD1 3.65Å; W318-I330 HydrophobicContact CB-CG2 4.31Å; W318-I330 HydrophobicContact CE3-CD1 4.26Å; W318-I330 HydrophobicContact CE3-CG2 3.97Å; W318-I330 HydrophobicContact CZ3-CD1 4.23Å; F319-I330 CarbonylContact O-C 3.47Å; F319-I330 WeakPolarHBondContact O-CA 3.43Å; I330-V332 HydrophobicContact CG2-CG1 4.36Å; I330-F346 CarbonylContact O-C 3.52Å; I330-F346 VanDerWaalsContact O-CA 3.29Å; I330-F346 WeakPolarHBondContact O-CA 3.46Å; I330-Y347 PolarHBondContact N-O 3.34Å; I330-Y347 PolarHBondContact O-N 2.69Å; I330-V349 HydrophobicContact CD1-CG2 3.56Å; I330-V349 HydrophobicContact CG1-CG2 4.23Å
331G95.6Very high84.5Confident1 Ų149.8 Ų49.81%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-116137.6169.200000110.7W318 F319 Y345W318-G331 WeakPolarHBondContact CA-O 3.36Å; F319-G331 PolarHBondContact N-O 3.14Å; F319-G331 PolarHBondContact O-N 3.1Å; G331-Y345 WeakPolarHBondContact CA-O 3.43Å
332V95.1Very high83.4Confident2 Ų252.2 Ų52.21%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-125.2142.3171.2-59.80000109.3I312 W318 I330 H344 Y345 Y347I312-V332 HydrophobicContact CG1-CG1 4.09Å; W318-V332 HydrophobicContact CB-CG1 4.01Å; I330-V332 HydrophobicContact CG2-CG1 4.36Å; V332-H344 CarbonylContact O-C 3.21Å; V332-H344 WeakPolarHBondContact O-CA 3.36Å; V332-H344 WeakPolarHBondContact O-CB 3.5Å; V332-Y345 HydrophobicContact CG2-CD2 4.32Å; V332-Y345 PolarHBondContact N-O 3.2Å; V332-Y345 PolarHBondContact O-N 3.22Å; V332-Y347 HydrophobicContact CG2-CE2 3.83Å
333P91.8Very high82.8Confident37 Ų3752.8 Ų52.824%0.2433%0.325CS..EExtended strand (participates in β ladder)trans-61.3141.6176.727.2-35.2000110.8S315 T317S315-P333 WeakPolarHBondContact OG-CD 3.33Å; T317-P333 WeakPolarHBondContact O-CD 3.34Å
334S85.9Confident82.7Confident21 Ų2153.4 Ų53.415%0.14733%0.327CS..PPolyproline II helixtrans-84.6125.2171.759.60000109.9P340 E342 A343S334-P340 WeakPolarHBondContact OG-CG 3.42Å; S334-E342 WeakPolarHBondContact CB-O 3.49Å; S334-E342 PolarHBondContact OG-O 3.34Å; S334-A343 PolarHBondContact N-O 3.4Å; S334-A343 WeakPolarHBondContact OG-CA 3.21Å; S334-A343 PolarHBondContact OG-O 3.16Å
335E75.4Confident82.9Confident138 Ų13856.9 Ų56.965%0.64534%0.339SS*.PPolyproline II helixtrans-103.8135174.9-64.8-175.3-173.200110.7
336G65.8Low83.4Confident43 Ų4354 Ų5444%0.44331%0.308SS..  trans177.7149.1178.200000114.4P338G336-P338 CarbonylContact C-O 3.55Å; G336-P338 CarbonylContact O-C 3.42Å
337R58.1Low83.7Confident254 Ų25454 Ų5496%0.95831%0.307SS*.SBendtrans-125.2112.8168.4-71-172.9-178.4-174.81.9109
338P71.9Confident83.8Confident122 Ų12254.8 Ų54.879%0.79231%0.309SS*.SBendcis-68.41633.330.6-35.6000113.1G336G336-P338 CarbonylContact C-O 3.55Å; G336-P338 CarbonylContact O-C 3.42Å
339A64.9Low83.8Confident88 Ų8854.8 Ų54.873%0.72731%0.309SS*.PPolyproline II helixtrans-57.1125.8179.700000109.8
340P68.6Low83.6Confident39 Ų3955.6 Ų55.625%0.25332%0.315SS..PPolyproline II helixtrans-62.2152.1176.423.2-30.7000110.9S334 E342S334-P340 WeakPolarHBondContact OG-CG 3.42Å; P340-E342 PolarHBondContact O-N 2.92Å
341P66.6Low83.2Confident139 Ų13956 Ų5690%0.90332%0.316SS*.SBendtrans-67-27.6-178.926.6-34000112.7
342E73.7Confident81.9Confident63 Ų6362.2 Ų62.229%0.29435%0.345SS..SBendtrans-96130172.8-65.8-179.6-176.800108.8S334 P340S334-E342 WeakPolarHBondContact CB-O 3.49Å; S334-E342 PolarHBondContact OG-O 3.34Å; P340-E342 PolarHBondContact O-N 2.92Å
343A83.9Confident80.1Confident47 Ų4767.5 Ų67.539%0.38837%0.368SS..SBendtrans-81-17-17900000113.7S334S334-A343 PolarHBondContact N-O 3.4Å; S334-A343 WeakPolarHBondContact OG-CA 3.21Å; S334-A343 PolarHBondContact OG-O 3.16Å
344H90.9Very high77.6Confident27 Ų2775.6 Ų75.613%0.12540%0.403CS..EExtended strand (participates in β ladder)trans-147.5143-176.7-55.895.5000110.8F319 V332 F346F319-H344 AromaticContact CE1-CD2 3.48Å; F319-H344 VanDerWaalsContact CE1-CD2 3.48Å; F319-H344 WeakPolarHBondContact CE1-CD2 3.31Å; F319-H344 AromaticContact CE1-NE2 3.64Å; F319-H344 AromaticContact CZ-CD2 3.89Å; F319-H344 AromaticContact CZ-NE2 3.99Å; V332-H344 CarbonylContact O-C 3.21Å; V332-H344 WeakPolarHBondContact O-CA 3.36Å; V332-H344 WeakPolarHBondContact O-CB 3.5Å; H344-F346 HydrophobicContact CB-CE1 4.35Å; H344-F346 HydrophobicContact CB-CE2 3.84Å; H344-F346 HydrophobicContact CB-CZ 3.69Å
345Y92.8Very high75.4Confident80 Ų8078.2 Ų78.231%0.31443%0.433SS..EExtended strand (participates in β ladder)trans-90.2138.3164.6-58.1-66.2000109.7G331 V332G331-Y345 WeakPolarHBondContact CA-O 3.43Å; V332-Y345 HydrophobicContact CG2-CD2 4.32Å; V332-Y345 PolarHBondContact N-O 3.2Å; V332-Y345 PolarHBondContact O-N 3.22Å
346F95.3Very high73.6Confident4 Ų480.2 Ų80.22%0.01844%0.443CS..EExtended strand (participates in β ladder)trans-115.1144.3-177.8-66.5-78.7000111.6L6 A8 L15 L55 F319 L329 I330 H344L6-F346 HydrophobicContact CB-CB 4.1Å; L6-F346 HydrophobicContact CD1-CB 4.41Å; L6-F346 PolarHBondContact N-O 3.11Å; A8-F346 HydrophobicContact CB-CD2 4.05Å; A8-F346 HydrophobicContact CB-CE2 4.26Å; L15-F346 HydrophobicContact CB-CE1 4.01Å; L15-F346 HydrophobicContact CB-CZ 3.56Å; L15-F346 HydrophobicContact CD1-CE1 3.84Å; L15-F346 HydrophobicContact CD1-CE2 3.95Å; L15-F346 HydrophobicContact CD1-CZ 3.5Å; L15-F346 VanDerWaalsContact CD1-CZ 3.5Å; L15-F346 HydrophobicContact CD2-CE1 4.26Å; L15-F346 HydrophobicContact CG-CE1 4.25Å; L15-F346 HydrophobicContact CG-CZ 4.03Å; L55-F346 HydrophobicContact CD2-CB 4.28Å; L55-F346 HydrophobicContact CD2-CD1 4.29Å; L55-F346 HydrophobicContact CD2-CD2 4.15Å; L55-F346 HydrophobicContact CD2-CG 3.96Å; F319-F346 HydrophobicContact CZ-CE1 4.28Å; L329-F346 HydrophobicContact CD1-CB 4.31Å; L329-F346 HydrophobicContact CD1-CD1 4.4Å; L329-F346 HydrophobicContact CD2-CD1 4.41Å; L329-F346 HydrophobicContact CG-CD1 4.42Å; I330-F346 CarbonylContact O-C 3.52Å; I330-F346 VanDerWaalsContact O-CA 3.29Å; I330-F346 WeakPolarHBondContact O-CA 3.46Å; H344-F346 HydrophobicContact CB-CE1 4.35Å; H344-F346 HydrophobicContact CB-CE2 3.84Å; H344-F346 HydrophobicContact CB-CZ 3.69Å
347Y96.6Very high71.9Confident3 Ų381.3 Ų81.31%0.01245%0.454CS..EExtended strand (participates in β ladder)trans-137.6143.2177.1-49.6-100.1000110.4L3 Q4 P5 T309 E311 I312 L329 I330 V332L3-Y347 HydrophobicContact CD1-CD1 4.35Å; L3-Y347 HydrophobicContact CD1-CG 4.22Å; L3-Y347 HydrophobicContact CG-CD1 4.44Å; Q4-Y347 CarbonylContact O-C 3.49Å; Q4-Y347 VanDerWaalsContact O-CA 3.28Å; Q4-Y347 WeakPolarHBondContact O-CA 3.28Å; P5-Y347 HydrophobicContact CB-CD1 3.92Å; P5-Y347 HydrophobicContact CB-CE1 4.02Å; T309-Y347 HydrophobicContact CG2-CE1 4.16Å; E311-Y347 WeakPolarHBondContact CB-OH 3.2Å; E311-Y347 PolarHBondContact OE2-OH 3.22Å; I312-Y347 HydrophobicContact CD1-CD1 4.09Å; I312-Y347 HydrophobicContact CD1-CD2 3.69Å; I312-Y347 HydrophobicContact CD1-CE1 4.27Å; I312-Y347 HydrophobicContact CD1-CE2 3.87Å; I312-Y347 HydrophobicContact CD1-CG 3.81Å; I312-Y347 HydrophobicContact CG1-CD2 3.94Å; I312-Y347 HydrophobicContact CG1-CE2 3.65Å; L329-Y347 CarbonylContact C-O 3.57Å; L329-Y347 WeakPolarHBondContact CA-O 3.21Å; I330-Y347 PolarHBondContact N-O 3.34Å; I330-Y347 PolarHBondContact O-N 2.69Å; V332-Y347 HydrophobicContact CG2-CE2 3.83Å
348Q96.4Very high70.7Confident35 Ų3579.1 Ų79.116%0.16445%0.454CS..EExtended strand (participates in β ladder)trans-98126.4167.9-176.2175.9-600109.3L3 Q4 L6 L323 A328 C350L3-Q348 WeakPolarHBondContact CA-O 3.37Å; Q4-Q348 PolarHBondContact N-O 3Å; Q4-Q348 PolarHBondContact O-N 3.37Å; L6-Q348 HydrophobicContact CD1-CB 4.06Å; L6-Q348 HydrophobicContact CD2-CB 4.26Å; L6-Q348 HydrophobicContact CG-CB 4.26Å; L323-Q348 HydrophobicContact CD1-CG 3.95Å; A328-Q348 WeakPolarHBondContact O-CA 3.49Å; Q348-C350 PolarHBondContact NE2-SG 2.63Å
349V95.4Very high68.6Low0 Ų076.5 Ų76.50%045%0.45CS..EExtended strand (participates in β ladder)trans-102.4128.4168.8-173.90000108.4S2 L3 L275 P306 W308 S327 A328 I330 F351S2-V349 CarbonylContact O-C 3.57Å; S2-V349 WeakPolarHBondContact O-CA 3.48Å; L3-V349 HydrophobicContact CD1-CG2 3.64Å; L275-V349 HydrophobicContact CD1-CB 4.28Å; L275-V349 HydrophobicContact CD1-CG1 4.35Å; L275-V349 HydrophobicContact CD1-CG2 4.26Å; P306-V349 HydrophobicContact CG-CG1 4.19Å; W308-V349 HydrophobicContact CH2-CG2 4.24Å; W308-V349 HydrophobicContact CZ3-CG2 4.05Å; S327-V349 CarbonylContact C-O 3.56Å; S327-V349 WeakPolarHBondContact CA-O 3.05Å; A328-V349 PolarHBondContact N-O 2.97Å; A328-V349 PolarHBondContact O-N 2.78Å; I330-V349 HydrophobicContact CD1-CG2 3.56Å; I330-V349 HydrophobicContact CG1-CG2 4.23Å; V349-F351 HydrophobicContact CB-CE2 4.38Å; V349-F351 HydrophobicContact CG1-CD2 4.37Å; V349-F351 HydrophobicContact CG1-CE1 4.04Å; V349-F351 HydrophobicContact CG1-CE2 3.68Å; V349-F351 HydrophobicContact CG1-CZ 3.51Å
350C93.6Very high66.9Low24 Ų2481.2 Ų81.216%0.16246%0.457CS..EExtended strand (participates in β ladder)trans-119.6130.1175.6-57.60000111.3M1 S2 Q348M1-C350 CarbonylContact C-O 3.57Å; M1-C350 VanDerWaalsContact CA-O 3.31Å; M1-C350 WeakPolarHBondContact CA-O 3.38Å; S2-C350 PolarHBondContact N-O 3.31Å; S2-C350 PolarHBondContact O-N 3.13Å; S2-C350 WeakPolarHBondContact OG-CB 3.34Å; Q348-C350 PolarHBondContact NE2-SG 2.63Å
351F88.6Confident65.1Low8 Ų886.9 Ų86.94%0.03549%0.485CS..  trans-105.794.9176-56.3-82.3000108.6M1 T264 I273 L275 G326 V349M1-F351 HydrophobicContact CB-CD1 4.39Å; M1-F351 HydrophobicContact CE-CD1 3.69Å; M1-F351 HydrophobicContact CE-CE1 3.9Å; M1-F351 HydrophobicContact CG-CD1 3.67Å; M1-F351 HydrophobicContact CG-CE1 4.18Å; M1-F351 HydrophobicContact SD-CD1 3.38Å; M1-F351 WeakPolarHBondContact SD-CD1 2.92Å; M1-F351 HydrophobicContact SD-CE1 3.34Å; M1-F351 WeakPolarHBondContact SD-CE1 3.42Å; T264-F351 HydrophobicContact CG2-CD2 3.8Å; T264-F351 HydrophobicContact CG2-CE2 3.89Å; I273-F351 HydrophobicContact CB-CD2 4.42Å; I273-F351 HydrophobicContact CB-CE2 4.47Å; I273-F351 HydrophobicContact CB-CG 4.49Å; I273-F351 HydrophobicContact CD1-CB 3.27Å; I273-F351 HydrophobicContact CD1-CD1 3.38Å; I273-F351 HydrophobicContact CD1-CD2 3.92Å; I273-F351 HydrophobicContact CD1-CE1 4.14Å; I273-F351 HydrophobicContact CD1-CG 3.25Å; I273-F351 HydrophobicContact CG1-CG 4.47Å; I273-F351 HydrophobicContact CG2-CD1 4Å; I273-F351 HydrophobicContact CG2-CD2 4.29Å; I273-F351 HydrophobicContact CG2-CE1 3.62Å; I273-F351 HydrophobicContact CG2-CE2 3.96Å; I273-F351 HydrophobicContact CG2-CG 4.32Å; I273-F351 HydrophobicContact CG2-CZ 3.6Å; L275-F351 HydrophobicContact CB-CZ 4.16Å; L275-F351 HydrophobicContact CD1-CE2 4.06Å; L275-F351 HydrophobicContact CD1-CZ 3.87Å; L275-F351 HydrophobicContact CD2-CE2 3.83Å; L275-F351 HydrophobicContact CD2-CZ 4.02Å; L275-F351 HydrophobicContact CG-CE2 4.44Å; L275-F351 HydrophobicContact CG-CZ 4.22Å; G326-F351 WeakPolarHBondContact O-CB 3.45Å; G326-F351 VanDerWaalsContact O-CD2 3.25Å; G326-F351 WeakPolarHBondContact O-CD2 3.29Å; G326-F351 PolarHBondContact O-N 2.82Å; V349-F351 HydrophobicContact CB-CE2 4.38Å; V349-F351 HydrophobicContact CG1-CD2 4.37Å; V349-F351 HydrophobicContact CG1-CE1 4.04Å; V349-F351 HydrophobicContact CG1-CE2 3.68Å; V349-F351 HydrophobicContact CG1-CZ 3.51Å
352Q69.1Low63.2Low133 Ų13383.6 Ų83.662%0.62148%0.476SS*.  trans-61.1140.9177.6-71.4174.8-21.800110.9
353K57.6Low61Low113 Ų11388.1 Ų88.149%0.49150%0.502SS..  trans-69.5135.3158.4-90.3-178170.9-177.30108.5V266 G355V266-K353 HydrophobicContact CG1-CG 4.41Å; K353-G355 PolarHBondContact O-N 3.01Å
354E38.7Very low58.3Low207 Ų20794.6 Ų94.697%0.96753%0.525SS*.THydrogen-bonded Turntrans-57.8108.5159.7-74.9-179.2152.400107.6
355G38.6Very low55.2Low76 Ų7696.3 Ų96.378%0.78455%0.55SS*.THydrogen-bonded Turntrans138.3-10.9173.200000118.3K353K353-G355 PolarHBondContact O-N 3.01Å
356E37.9Very low52Low180 Ų18098.7 Ų98.784%0.84158%0.577SS**  trans-124.853.5178.4-72.4-177.1174.300112
357G31.1Very low48.8Very low66 Ų66103.1 Ų103.168%0.6861%0.608SS**  trans-12095.5169.500000109.9
358E32.7Very low45.7Very low207 Ų207111 Ų11197%0.96765%0.645SS**  trans-157.6110152.1-109.5175.5-154.100109.2
359G27.3Very low42.3Very low68 Ų68116.4 Ų116.470%0.70167%0.67SS**SBendtrans158.768.8174.800000114.3
360E30.4Very low39.1Very low187 Ų187121.1 Ų121.187%0.87470%0.703SS**  trans59.8131.8149.7-57.7173.8162.900117.7
361D30.3Very low35.8Very low158 Ų158125.2 Ų125.285%0.84573%0.727SS**  cis-161.5141.24.9-103.9-27.1000103.3
362G26.8Very low32.7Very low70 Ų70131 Ų13172%0.72276%0.759SS**  117.178.973.500000112.1
363N26.5Very low30.9Very low157 Ų157132.9 Ų132.984%0.8477%0.765SS**  trans57.4152.6137.4-148.420.5000124
364Q28.6Very low29.5Very low183 Ų183135.4 Ų135.486%0.85578%0.779SS**  trans90.3126.4166.6-63.3-177.7-29.300116.8
365G24.2Very low29Very low63 Ų63132.7 Ų132.765%0.64977%0.771SS**  cis142.71274.500000110.8
366C26.6Very low28.7Very low130 Ų130134.2 Ų134.288%0.87877%0.77SS**  trans78.8152160.2-47.70000119
367S27.3Very low28.3Very low97 Ų97129.3 Ų129.368%0.67876%0.76SS**  cis173.1143.9-23.7-84.40000107.6
368Q31.8Very low28.3Very low169 Ų169132.2 Ų132.279%0.7977%0.767SS**  trans70.3149150.1-74-179.5-59.600120
369E25.8Very low28.4Very low149 Ų149129.8 Ų129.870%0.69676%0.76SS**  cis-170150.7-10.2-137.3177.1122.300108.3
370S26.7Very low28.6Very low98 Ų98135.4 Ų135.469%0.68577%0.768SS**  trans60.7154.8141.8810000121.4
371T24.5Very low28.6Very low110 Ų110133.1 Ų133.168%0.67576%0.761SS**  cis-159.614921.240.10000111.9
372D25Very low29.1Very low130 Ų130130 Ų13070%0.69575%0.752SS**  trans65.7118.4131-60.2-18.6000126.4
373F30Very low29.7Very low173 Ų173135.4 Ų135.476%0.75976%0.759SS**  76.5128.3123.7-84.9-91.6000124.5
374E28.8Very low30.3Very low166 Ų166133.2 Ų133.278%0.77674%0.743SS**  trans87.8112.4133.4-103.9168.1-156.600122.2
375D27.3Very low30.4Very low149 Ų149130.9 Ų130.980%0.79774%0.736SS**  122.5138.5112-148.213.8000116.2
376S32.1Very low30.6Very low109 Ų109137.7 Ų137.776%0.76274%0.743SS**  trans-90.2153.8-152.6-42.70000112.1
377A30Very low30.7Very low77 Ų77141.7 Ų141.764%0.63675%0.746SS**  trans-137.2138146.800000108.6L379A377-L379 PolarHBondContact O-N 2.93Å
378P31.3Very low30.7Very low127 Ų127139.6 Ų139.683%0.82574%0.74SS**  trans-78.4117.1-17531.4-29.2000108.2
379L34.7Very low30.8Very low156 Ų156141.3 Ų141.382%0.81774%0.739SS**  trans-138141.1178.7-69.3176.7000112.1A377A377-L379 PolarHBondContact O-N 2.93Å
380E31Very low30.8Very low185 Ų185142.6 Ų142.686%0.86475%0.745SS**  trans-53.2132.4-168.6-68.5161.2140.600113.9S382E380-S382 PolarHBondContact O-N 2.85Å
381D32Very low31Very low139 Ų139142.8 Ų142.874%0.74374%0.744SS**  trans-2.7101.1159.3-58.1-5.9000116.2E383D381-E383 PolarHBondContact O-N 2.92Å
382S39.7Very low31.2Very low93 Ų93145.9 Ų145.965%0.6575%0.75SS**  trans13.779.2134.7-45.50000116.7E380 E384E380-S382 PolarHBondContact O-N 2.85Å; S382-E384 PolarHBondContact O-N 2.88Å
383E38.9Very low31.6Very low184 Ų184148.9 Ų148.986%0.8676%0.76SS**  trans25.365.4141.556.2-169.7151.200118.8D381D381-E383 PolarHBondContact O-N 2.92Å
384E41Very low31.8Very low110 Ų110148.7 Ų148.751%0.51477%0.766SS.*  trans-110.9106.4137.9-70.8-157.9153.800107.7R96 S382R96-E384 IonicContact CZ-OE1 3.24Å; R96-E384 IonicContact NH1-OE1 3.12Å; R96-E384 PolarHBondContact NH1-OE1 2.86Å; S382-E384 PolarHBondContact O-N 2.88Å
385L30.2Very low31.8Very low134 Ų134150 Ų15070%0.70277%0.772SS**  trans157.3146145-80.9166.4000113.3N173N173-L385 VanDerWaalsContact ND2-CD2 3.34Å; N173-L385 WeakPolarHBondContact ND2-CD2 3.25Å
386Y28.3Very low31.9Very low206 Ų206150 Ų15081%0.80877%0.772SS**  trans84.797.3165.5-108.2-97.7000120
387F27.5Very low31.8Very low214 Ų214151 Ų15194%0.93978%0.78SS**  trans-107.586.8144.2-73-77.8000108.5R389F387-R389 PolarHBondContact O-N 2.93Å
388G28.4Very low31.9Very low53 Ų53152 Ų15255%0.54678%0.782SS.*  trans-69.1120.9159.800000108.4E390G388-E390 PolarHBondContact O-N 3Å
389R32.8Very low32Very low206 Ų206155.3 Ų155.378%0.77779%0.786SS**  trans-73.6114179.6-161-179.1-168.4-177.23108.8F387F387-R389 PolarHBondContact O-N 2.93Å
390E26.4Very low31.8Very low176 Ų176151.7 Ų151.782%0.82279%0.787SS**  trans-109.5145.3164.3-80.1-168.9163.700111.4G388G388-E390 PolarHBondContact O-N 3Å
391P31.1Very low32.1Very low101 Ų101152.5 Ų152.566%0.65679%0.79SS**SBendtrans-112.970.8-148.531.8-13.9000111.6
392H29.2Very low32.1Very low175 Ų175149.1 Ų149.181%0.8179%0.789SS**  trans-142.931.1174.7-62.9-59.4000114.8
393E32.9Very low31.8Very low194 Ų194152.5 Ų152.591%0.90780%0.8SS**  trans-108.866.8167.9-67.4-170.7176.500110.6
394L34Very low31.6Very low168 Ų168150.9 Ų150.988%0.8880%0.802SS**  trans-139.989.7161.2-76.4176.2000106.5
395E28.4Very low31.6Very low194 Ų194154.6 Ų154.691%0.90781%0.813SS**  trans-166.2115.4151.5-110.1164.8-160.200110.9
396D30.7Very low31.9Very low148 Ų148152.4 Ų152.479%0.79180%0.802SS**  trans18131.2156.6-73.2-23.7000121.2
397S29.8Very low32.5Very low132 Ų132150 Ų15092%0.92380%0.798SS**  trans-149.1100.9137-66.30000109.5
398S32.4Very low33Very low97 Ų97148 Ų14868%0.67879%0.792SS**  trans-88147.4174.358.70000111.9
399E33Very low33.7Very low196 Ų196152 Ų15292%0.91680%0.801SS**  trans92.9127.2155.6-53.3-168.7176.400120
400G30.6Very low34.3Very low80 Ų80147 Ų14783%0.82579%0.786SS**  trans158.774.8164.100000113.9
401E36.2Very low35Very low202 Ų202146.5 Ų146.594%0.94478%0.784SS**  trans-55.8157.7-178.9-67.5178.1142.300116.4
402G33Very low35.3Very low69 Ų69146.2 Ų146.271%0.71178%0.777SS**  trans158.543.9149.500000119.1
403D33.2Very low35.7Very low164 Ų164144.6 Ų144.688%0.87777%0.77SS**  trans-159.9108.1151.6-98-24.5000109.6Y405D403-Y405 PolarHBondContact O-N 3.1Å
404T34Very low35.9Very low149 Ų149140.9 Ų140.991%0.91476%0.76SS**  trans-63.1102.5-175.6-18.70000110.3
405Y41.2Very low35.7Very low188 Ų188140.9 Ų140.974%0.73776%0.756SS**  trans-64.8127.7167.2-153.2-101.2000108.2D403 E407D403-Y405 PolarHBondContact O-N 3.1Å; Y405-E407 HydrophobicContact CD1-CG 4.46Å; Y405-E407 PolarHBondContact O-N 2.9Å
406N36.7Very low36Very low89 Ų89134.1 Ų134.148%0.47673%0.728SS.*  trans-87.194.2178.1-164.833.1000108.9E408 D409N406-E408 PolarHBondContact O-N 2.88Å; N406-D409 PolarHBondContact ND2-OD2 2.9Å
407E41.1Very low36.1Very low154 Ų154128.5 Ų128.572%0.7270%0.704SS**G310 helixtrans-67.4-11.1177.1-64-173.717800112.8Y405 D409 E410Y405-E407 HydrophobicContact CD1-CG 4.46Å; Y405-E407 PolarHBondContact O-N 2.9Å; E407-D409 VanDerWaalsContact C-N 3.26Å; E407-D409 PolarHBondContact O-N 2.82Å; E407-E410 WeakPolarHBondContact O-CB 3.39Å; E407-E410 PolarHBondContact O-N 3.01Å
408E38.3Very low36.4Very low173 Ų173128.9 Ų128.981%0.80869%0.687SS**G310 helixtrans-75.9-8.6-179.8-63-171.9170.800114.2N406N406-E408 PolarHBondContact O-N 2.88Å
409D43.7Very low36.5Very low137 Ų137129.5 Ų129.573%0.73367%0.674SS**G310 helixtrans-93.82.8173.5-71.3-41.1000113N406 E407 E411N406-D409 PolarHBondContact ND2-OD2 2.9Å; E407-D409 VanDerWaalsContact C-N 3.26Å; E407-D409 PolarHBondContact O-N 2.82Å; D409-E411 PolarHBondContact O-N 2.79Å
410E45.3Very low36.6Very low102 Ų102123.8 Ų123.848%0.47765%0.652SS.*SBendtrans-72.9107.8167.2-64.7-80.2163.700108.1E407 D412E407-E410 WeakPolarHBondContact O-CB 3.39Å; E407-E410 PolarHBondContact O-N 3.01Å; E410-D412 PolarHBondContact O-N 3.06Å
411E40.7Very low36.8Very low164 Ų164126.4 Ų126.477%0.76664%0.641SS**  trans-56.2134.1160.8-81.1-178.9166.900108.1D409 E413D409-E411 PolarHBondContact O-N 2.79Å; E411-E413 PolarHBondContact O-N 3.02Å
412D36.7Very low37Very low96 Ų96120.8 Ų120.851%0.51362%0.623SS.*  trans-34.4101.8179.7-168.3-8000111.9E410 T414 Q415E410-D412 PolarHBondContact O-N 3.06Å; D412-T414 PolarHBondContact O-N 2.82Å; D412-T414 VanDerWaalsContact OD1-CB 3.32Å; D412-T414 WeakPolarHBondContact OD1-CB 3.34Å; D412-T414 VanDerWaalsContact OD1-CG2 3.23Å; D412-T414 WeakPolarHBondContact OD1-CG2 3.33Å; D412-T414 PolarHBondContact OD1-N 3.48Å; D412-T414 PolarHBondContact OD1-OG1 3.43Å; D412-T414 PolarHBondContact OD2-OG1 3.16Å; D412-T414 VanDerWaalsContact OD2-OG1 3.12Å; D412-Q415 PolarHBondContact O-N 2.93Å
413E38.4Very low37.5Very low141 Ų141118.9 Ų118.966%0.65960%0.599SS**THydrogen-bonded Turntrans-57.7-11.5-178.6-69.6-167142.700112.2E411 Q415E411-E413 PolarHBondContact O-N 3.02Å; E413-Q415 PolarHBondContact O-N 3.04Å
414T36Very low37.7Very low115 Ų115117.6 Ų117.671%0.70659%0.591SS**THydrogen-bonded Turntrans-70.8-17.117271.40000113.6D412D412-T414 PolarHBondContact O-N 2.82Å; D412-T414 VanDerWaalsContact OD1-CB 3.32Å; D412-T414 WeakPolarHBondContact OD1-CB 3.34Å; D412-T414 VanDerWaalsContact OD1-CG2 3.23Å; D412-T414 WeakPolarHBondContact OD1-CG2 3.33Å; D412-T414 PolarHBondContact OD1-N 3.48Å; D412-T414 PolarHBondContact OD1-OG1 3.43Å; D412-T414 PolarHBondContact OD2-OG1 3.16Å; D412-T414 VanDerWaalsContact OD2-OG1 3.12Å
415Q30.5Very low38.1Very low168 Ų168112.8 Ų112.879%0.78557%0.571SS**THydrogen-bonded Turntrans-100.7-20.8176.8-62.3-162.814.100113.9D412 E413 G417D412-Q415 PolarHBondContact O-N 2.93Å; E413-Q415 PolarHBondContact O-N 3.04Å; Q415-G417 PolarHBondContact O-N 2.77Å
416T35.7Very low38.2Very low53 Ų53107.2 Ų107.233%0.32556%0.559SS.*  trans-102.762.9176.760.50000111.5Y418T416-Y418 WeakPolarHBondContact O-CD2 3.01Å; T416-Y418 PolarHBondContact O-N 3.5Å
417G32.1Very low38.4Very low29 Ų29111.5 Ų111.530%0.29958%0.576SS.*  trans-63.7120.3161.400000108.9Q415 W419Q415-G417 PolarHBondContact O-N 2.77Å; G417-W419 PolarHBondContact O-N 3.01Å; G417-W419 PolarHBondContact O-NE1 2.84Å
418Y35.3Very low38.2Very low141 Ų141108.6 Ų108.655%0.55357%0.569SS**  trans-81104.6175.4-65.4-85.9000108.6T416T416-Y418 WeakPolarHBondContact O-CD2 3.01Å; T416-Y418 PolarHBondContact O-N 3.5Å
419W36.1Very low38.2Very low109 Ų109103.9 Ų103.941%0.41355%0.549SS..  trans-99.3107.9-177.6-43.9100000109.6G417 H459 Q461G417-W419 PolarHBondContact O-N 3.01Å; G417-W419 PolarHBondContact O-NE1 2.84Å; W419-H459 AromaticContact CE3-CE1 3.68Å; W419-H459 AromaticContact CE3-ND1 3.53Å; W419-H459 AromaticContact CZ3-CE1 3.21Å; W419-H459 WeakPolarHBondContact CZ3-CE1 3.48Å; W419-H459 AromaticContact CZ3-ND1 3.32Å; W419-H459 VanDerWaalsContact CZ3-ND1 3.32Å; W419-H459 WeakPolarHBondContact CZ3-ND1 3.38Å; W419-Q461 HydrophobicContact CH2-CG 4.32Å; W419-Q461 HydrophobicContact CZ3-CB 4.21Å; W419-Q461 HydrophobicContact CZ3-CG 4.2Å
420V33.8Very low37.7Very low76 Ų76101.1 Ų101.146%0.46154%0.538SS..  trans-104.1124.2173.7-173.60000108.9Y68Y68-V420 VanDerWaalsContact CA-CG1 3.47Å; Y68-V420 HydrophobicContact CD2-CG1 4.24Å; Y68-V420 HydrophobicContact CG-CG1 4.38Å; Y68-V420 VanDerWaalsContact N-CG1 3.34Å
421K35.3Very low37.2Very low136 Ų136103 Ų10359%0.59155%0.552SS**BIsolated β-bridgetrans-77.5142.5175.5-65.9-179.9-177.4177.40110.3Y68Y68-K421 PolarHBondContact N-O 2.84Å
422C39.7Very low37Very low84 Ų84100.3 Ų100.357%0.56855%0.547SS*.PPolyproline II helixtrans-61.9146.9175.8-166.10000111.1
423C43Very low36.8Very low29 Ų29103.8 Ų103.820%0.19655%0.553CS.*PPolyproline II helixtrans-81.7159.5175.155.70000112.1E126 G425E126-C423 WeakPolarHBondContact OE2-CA 3.46Å; E126-C423 WeakPolarHBondContact OE2-CB 3.22Å; C423-G425 PolarHBondContact O-N 3.32Å
424L38.2Very low36.3Very low136 Ų136104.5 Ų104.571%0.71256%0.556SS**THydrogen-bonded Turntrans-66.5-19.1-172.8-70.3167.7000113.5E126 E128E126-L424 PolarHBondContact OE2-N 2.61Å; E128-L424 HydrophobicContact CB-CD1 4.43Å
425G43.3Very low36.1Very low48 Ų48101.2 Ų101.250%0.49554%0.537SS..THydrogen-bonded Turntrans-118.821.2-173.300000116.5C423 Q427C423-G425 PolarHBondContact O-N 3.32Å; G425-Q427 PolarHBondContact O-N 2.74Å; G425-Q427 VanDerWaalsContact O-N 3.1Å
426C43.5Very low36Very low71 Ų71102.7 Ų102.748%0.4854%0.537SS..  trans-63.9109.2-176.3-173.10000112.7
427Q39.5Very low36.1Very low179 Ų179106.8 Ų106.884%0.83655%0.547SS*.  trans-114.753.7177.7-65.2-169.213.200112.5G425 D429G425-Q427 PolarHBondContact O-N 2.74Å; G425-Q427 VanDerWaalsContact O-N 3.1Å; Q427-D429 PolarHBondContact O-N 2.87Å
428V37.7Very low36.1Very low93 Ų93106.9 Ų106.956%0.56454%0.543SS*.  trans-74.9125.1175.7177.30000110.2
429D37.8Very low36Very low75 Ų75107 Ų10740%0.40156%0.559SS.*  trans-63.7125.2179.616330.8000111.8Q427 N431 T432Q427-D429 PolarHBondContact O-N 2.87Å; D429-N431 PolarHBondContact O-N 3.14Å; D429-N431 PolarHBondContact OD1-N 3.26Å; D429-N431 PolarHBondContact OD1-ND2 2.77Å; D429-T432 WeakPolarHBondContact CB-OG1 3.46Å; D429-T432 PolarHBondContact O-N 2.99Å; D429-T432 PolarHBondContact O-OG1 2.72Å; D429-T432 PolarHBondContact OD2-N 3.46Å; D429-T432 PolarHBondContact OD2-OG1 3.35Å
430P33.1Very low36Very low78 Ų78109.2 Ų109.251%0.50657%0.574SS.*THydrogen-bonded Turntrans-68-11.1-178.925.6-33.8000114.8
431N34.2Very low36.3Very low142 Ų142110.1 Ų110.176%0.75958%0.576SS**THydrogen-bonded Turntrans-99.8-13.2-179.8-60.9-62.6000114.3D429 W433D429-N431 PolarHBondContact O-N 3.14Å; D429-N431 PolarHBondContact OD1-N 3.26Å; D429-N431 PolarHBondContact OD1-ND2 2.77Å; N431-W433 PolarHBondContact O-N 3.3Å
432T36.8Very low36.4Very low107 Ų107111.2 Ų111.266%0.65659%0.587SS**  trans-85.463.6170.120.80000109.6D429D429-T432 WeakPolarHBondContact CB-OG1 3.46Å; D429-T432 PolarHBondContact O-N 2.99Å; D429-T432 PolarHBondContact O-OG1 2.72Å; D429-T432 PolarHBondContact OD2-N 3.46Å; D429-T432 PolarHBondContact OD2-OG1 3.35Å
433W34Very low36.5Very low169 Ų169114.8 Ų114.864%0.6459%0.589SS**  trans-89.5101.3175.7-171.981.8000109.9N431 P435N431-W433 PolarHBondContact O-N 3.3Å; W433-P435 HydrophobicContact CD2-CG 3.87Å; W433-P435 HydrophobicContact CE3-CG 4.22Å; W433-P435 HydrophobicContact CH2-CG 3.62Å; W433-P435 HydrophobicContact CZ2-CG 3.17Å; W433-P435 HydrophobicContact CZ3-CG 4.11Å
434E26.1Very low36.5Very low157 Ų157116.1 Ų116.173%0.73460%0.597SS**  trans-122.4110.2146.1-78.5-164.9168.800107.6Y436E434-Y436 PolarHBondContact O-N 3.19Å
435P32.7Very low36.9Very low46 Ų46112.3 Ų112.330%0.29959%0.585SS.*  trans-65.9119.9163.6-6.122.3000106.2W433 Y437W433-P435 HydrophobicContact CD2-CG 3.87Å; W433-P435 HydrophobicContact CE3-CG 4.22Å; W433-P435 HydrophobicContact CH2-CG 3.62Å; W433-P435 HydrophobicContact CZ2-CG 3.17Å; W433-P435 HydrophobicContact CZ3-CG 4.11Å; P435-Y437 HydrophobicContact CB-CD2 3.81Å; P435-Y437 HydrophobicContact CB-CE1 4.4Å; P435-Y437 HydrophobicContact CB-CE2 3.47Å; P435-Y437 VanDerWaalsContact CB-CE2 3.47Å; P435-Y437 HydrophobicContact CB-CG 4.42Å; P435-Y437 HydrophobicContact CG-CD2 4.25Å; P435-Y437 HydrophobicContact CG-CE2 3.49Å; P435-Y437 VanDerWaalsContact CG-CE2 3.49Å; P435-Y437 WeakPolarHBondContact O-CD2 3.31Å; P435-Y437 PolarHBondContact O-N 3.41Å
436Y29.3Very low37Very low199 Ų199114.2 Ų114.278%0.7858%0.582SS**  trans-71.685.8159.7-135-89.7000107.2E434 S438E434-Y436 PolarHBondContact O-N 3.19Å; Y436-S438 PolarHBondContact O-N 2.88Å; Y436-S438 VanDerWaalsContact O-N 3.09Å
437Y36.5Very low37.4Very low138 Ų138111.6 Ų111.654%0.54156%0.563SS.*  trans-64.3104.6158.2-61.4-81.2000105.4P435 T439P435-Y437 HydrophobicContact CB-CD2 3.81Å; P435-Y437 HydrophobicContact CB-CE1 4.4Å; P435-Y437 HydrophobicContact CB-CE2 3.47Å; P435-Y437 VanDerWaalsContact CB-CE2 3.47Å; P435-Y437 HydrophobicContact CB-CG 4.42Å; P435-Y437 HydrophobicContact CG-CD2 4.25Å; P435-Y437 HydrophobicContact CG-CE2 3.49Å; P435-Y437 VanDerWaalsContact CG-CE2 3.49Å; P435-Y437 WeakPolarHBondContact O-CD2 3.31Å; P435-Y437 PolarHBondContact O-N 3.41Å; Y437-T439 PolarHBondContact O-N 3.41Å; Y437-T439 VanDerWaalsContact O-N 3.08Å
438S31.6Very low38Very low32 Ų32106.9 Ų106.922%0.22454%0.538CS..  trans-57.8121.8157.668.80000105.2R39 Y436 E440 L441R39-S438 PolarHBondContact NH1-OG 2.93Å; R39-S438 VanDerWaalsContact NH1-OG 3.08Å; R39-S438 PolarHBondContact NH2-OG 3.45Å; Y436-S438 PolarHBondContact O-N 2.88Å; Y436-S438 VanDerWaalsContact O-N 3.09Å; S438-E440 PolarHBondContact O-N 2.96Å; S438-L441 PolarHBondContact O-N 2.84Å; S438-L441 VanDerWaalsContact O-N 3.17Å
439T32.8Very low38.8Very low144 Ų144102.5 Ų102.588%0.88351%0.511SS*.THydrogen-bonded Turntrans-54.7-2.9-179.235.30000114.1Y437Y437-T439 PolarHBondContact O-N 3.41Å; Y437-T439 VanDerWaalsContact O-N 3.08Å
440E38Very low39.4Very low154 Ų154100.6 Ų100.672%0.7250%0.504SS*.THydrogen-bonded Turntrans-100.7-13.3-178.3-68.6174.5169.300115.3S438S438-E440 PolarHBondContact O-N 2.96Å
441L39Very low40Very low96 Ų96101.9 Ų101.950%0.50350%0.502SS..THydrogen-bonded Turntrans-136.7-3.2-170.3-75.5175.5000120.2S438 R443S438-L441 PolarHBondContact O-N 2.84Å; S438-L441 VanDerWaalsContact O-N 3.17Å; L441-R443 VanDerWaalsContact O-CG 3.23Å; L441-R443 WeakPolarHBondContact O-CG 3.3Å; L441-R443 PolarHBondContact O-N 2.85Å
442L36.6Very low40.8Very low159 Ų15998.2 Ų98.283%0.83250%0.498SS*.  trans40.334.1166.1-75.3168.4000117.6
443R42.5Very low40.8Very low159 Ų159103.3 Ų103.360%0.651%0.514SS*.  trans-129.1132.4-175.1-74.1172.1-160.4-160.616.1112.7L441 E467L441-R443 VanDerWaalsContact O-CG 3.23Å; L441-R443 WeakPolarHBondContact O-CG 3.3Å; L441-R443 PolarHBondContact O-N 2.85Å; R443-E467 VanDerWaalsContact CD-OE1 3.3Å; R443-E467 WeakPolarHBondContact CD-OE1 3.39Å; R443-E467 IonicContact CZ-OE1 3.44Å; R443-E467 VanDerWaalsContact CZ-OE1 3.31Å; R443-E467 IonicContact NE-OE1 3.31Å; R443-E467 PolarHBondContact NE-OE1 2.88Å; R443-E467 IonicContact NH1-OE1 3.98Å; R443-E467 PolarHBondContact NH1-OE1 2.8Å; R443-E467 IonicContact NH1-OE2 2.88Å
444P43.1Very low41.6Very low57 Ų5798 Ų9837%0.3751%0.511SS..  trans-83.1123.7172.630-29.2000111.4
445A46.1Very low42.7Very low55 Ų5591.8 Ų91.846%0.45549%0.489SS..  trans-97.4-17.4176.900000113.8H459 A460A445-H459 PolarHBondContact O-CD2 2.8Å; A445-A460 PolarHBondContact O-N 3.03Å
446M46.2Very low43.5Very low88 Ų8892.7 Ų92.743%0.43349%0.489SS..EExtended strand (participates in β ladder)trans-126.3143.8-173.1-60.5-67.9-6800111.5W457 H459M446-W457 HydrophobicContact CB-CE3 4.01Å; M446-W457 HydrophobicContact CE-CB 3.59Å; M446-H459 HydrophobicContact SD-CB 4.04Å; M446-H459 VanDerWaalsContact SD-CD2 3.53Å
447I51.2Low44.7Very low17 Ų1788.4 Ų88.49%0.08747%0.472CS..EExtended strand (participates in β ladder)trans-124.9139.5175-158.8166.6000110.2V458 M463 L473 Y480I447-V458 HydrophobicContact CG2-CB 4.35Å; I447-V458 PolarHBondContact N-O 2.74Å; I447-V458 PolarHBondContact O-N 2.85Å; I447-M463 HydrophobicContact CG2-SD 3.85Å; I447-L473 HydrophobicContact CD1-CD1 4.27Å; I447-Y480 HydrophobicContact CD1-CD1 3.96Å; I447-Y480 HydrophobicContact CD1-CD2 3.31Å; I447-Y480 HydrophobicContact CD1-CE1 4.44Å; I447-Y480 HydrophobicContact CD1-CE2 3.83Å; I447-Y480 HydrophobicContact CD1-CG 3.37Å; I447-Y480 HydrophobicContact CG1-CD2 3.6Å; I447-Y480 HydrophobicContact CG1-CE2 4.29Å; I447-Y480 HydrophobicContact CG1-CG 3.99Å
448Y52.2Low45.3Very low79 Ų7982.5 Ų82.531%0.3145%0.45SS..EExtended strand (participates in β ladder)trans-83.7123.3-179-179.8-102.4000111.3G454 G455 W457Y448-G454 PolarHBondContact OH-O 2.89Å; Y448-G455 WeakPolarHBondContact OH-CA 3.49Å; Y448-W457 HydrophobicContact CD2-CD2 4.36Å
449C55.3Low46.1Very low1 Ų183.9 Ų83.91%0.00745%0.453CS..EExtended strand (participates in β ladder)trans-90.7120.6172.8177.90000110.4G455 H456 V458 Y480C449-G455 WeakPolarHBondContact O-CA 3.36Å; C449-H456 PolarHBondContact N-O 2.82Å; C449-H456 PolarHBondContact O-N 2.88Å; C449-H456 VanDerWaalsContact O-N 3.1Å; C449-V458 HydrophobicContact CB-CG2 3.65Å; C449-Y480 WeakPolarHBondContact CA-O 3.39Å
450S49.7Very low46.7Very low35 Ų3577.3 Ų77.325%0.24541%0.413CS..  trans-98.914.7-168.764.30000115.7Y480S450-Y480 PolarHBondContact N-O 3.33Å
451K46Very low46.9Very low106 Ų10675.7 Ų75.746%0.46141%0.406SS..  trans-97.1131.1179.1-156.1-179.7178.9-174.70110F481 H485K451-F481 HydrophobicContact CB-CD1 3.98Å; K451-F481 HydrophobicContact CB-CE1 4.19Å; K451-F481 HydrophobicContact CD-CD1 4.49Å; K451-H485 HydrophobicContact CD-CB 4.19Å; K451-H485 PolarHBondContact NZ-O 2.55Å; K451-H485 VanDerWaalsContact NZ-O 3.08Å
452G51.2Low47.1Very low65 Ų6574.8 Ų74.867%0.6741%0.406SS*.SBendtrans105.9165.6-177.500000113.7G454G452-G454 PolarHBondContact O-N 2.83Å
453E36.3Very low47.5Very low214 Ų21468.3 Ų68.3100%137%0.372SS*.SBendtrans-7599.9169.2-70-165.6164.100108.7
454G51Low48Very low57 Ų5768.6 Ų68.659%0.58838%0.381SS*.SBendtrans128-36.2174.800000115Y448 G452Y448-G454 PolarHBondContact OH-O 2.89Å; G452-G454 PolarHBondContact O-N 2.83Å
455G49.6Very low48.4Very low26 Ų2667.4 Ų67.427%0.26837%0.371SS..  trans57.8165-173.300000113.9Y448 C449Y448-G455 WeakPolarHBondContact OH-CA 3.49Å; C449-G455 WeakPolarHBondContact O-CA 3.36Å
456H50.3Low48.7Very low65 Ų6569 Ų6930%0.30138%0.375SS..EExtended strand (participates in β ladder)trans-151158.9-174.860.4-81000111.9C449 V458 H485C449-H456 PolarHBondContact N-O 2.82Å; C449-H456 PolarHBondContact O-N 2.88Å; C449-H456 VanDerWaalsContact O-N 3.1Å; H456-V458 WeakPolarHBondContact CD2-CG2 3.36Å; H456-V458 VanDerWaalsContact NE2-CG2 3.34Å; H456-V458 WeakPolarHBondContact NE2-CG2 3.28Å; H456-H485 AromaticContact CE1-CE1 3.47Å; H456-H485 PolarHBondContact CE1-CE1 3Å; H456-H485 VanDerWaalsContact CE1-CE1 3.47Å; H456-H485 AromaticContact CE1-ND1 3.92Å
457W53.9Low48.8Very low109 Ų10969.9 Ų69.941%0.41338%0.378SS..EExtended strand (participates in β ladder)trans-85.4131.8176.8-66.798.8000111M446 Y448M446-W457 HydrophobicContact CB-CE3 4.01Å; M446-W457 HydrophobicContact CE-CB 3.59Å; Y448-W457 HydrophobicContact CD2-CD2 4.36Å
458V49.2Very low48.9Very low14 Ų1471.1 Ų71.19%0.08540%0.395CS..EExtended strand (participates in β ladder)trans-121.6136.7-177.7-172.50000109.2I447 C449 H456 C462 M463 C482I447-V458 HydrophobicContact CG2-CB 4.35Å; I447-V458 PolarHBondContact N-O 2.74Å; I447-V458 PolarHBondContact O-N 2.85Å; C449-V458 HydrophobicContact CB-CG2 3.65Å; H456-V458 WeakPolarHBondContact CD2-CG2 3.36Å; H456-V458 VanDerWaalsContact NE2-CG2 3.34Å; H456-V458 WeakPolarHBondContact NE2-CG2 3.28Å; V458-C462 HydrophobicContact CG1-CB 3.97Å; V458-M463 HydrophobicContact CG1-CG 4.12Å; V458-C482 HydrophobicContact CG1-CB 3.97Å; V458-C482 HydrophobicContact CG2-CB 4.07Å
459H47.7Very low48.9Very low62 Ų6270.4 Ų70.429%0.28740%0.397SS..EExtended strand (participates in β ladder)trans-71.6139.5175-158.2-134.7000110.4W419 A445 M446 Q461 C462W419-H459 AromaticContact CE3-CE1 3.68Å; W419-H459 AromaticContact CE3-ND1 3.53Å; W419-H459 AromaticContact CZ3-CE1 3.21Å; W419-H459 WeakPolarHBondContact CZ3-CE1 3.48Å; W419-H459 AromaticContact CZ3-ND1 3.32Å; W419-H459 VanDerWaalsContact CZ3-ND1 3.32Å; W419-H459 WeakPolarHBondContact CZ3-ND1 3.38Å; A445-H459 PolarHBondContact O-CD2 2.8Å; M446-H459 HydrophobicContact SD-CB 4.04Å; M446-H459 VanDerWaalsContact SD-CD2 3.53Å; H459-Q461 VanDerWaalsContact C-N 3.25Å; H459-Q461 PolarHBondContact O-N 2.97Å; H459-Q461 VanDerWaalsContact O-N 3.17Å; H459-C462 WeakPolarHBondContact O-CB 3.34Å; H459-C462 PolarHBondContact O-N 2.91Å
460A46.3Very low48.7Very low6 Ų671.4 Ų71.45%0.0540%0.402CS..G310 helixtrans-59.8-31.5-172.200000115A445 M463 L465 L470A445-A460 PolarHBondContact O-N 3.03Å; A460-M463 PolarHBondContact O-N 2.83Å; A460-L465 PolarHBondContact O-N 3.41Å; A460-L470 HydrophobicContact CB-CD1 3.19Å; A460-L470 HydrophobicContact CB-CD2 3.4Å; A460-L470 VanDerWaalsContact CB-CD2 3.4Å; A460-L470 HydrophobicContact CB-CG 3.81Å
461Q41.8Very low48.7Very low120 Ų12072.7 Ų72.756%0.56141%0.408SS*.G310 helixtrans-72.1-26.5176.4-76.7-166.50.700113.5W419 H459 M463 E464W419-Q461 HydrophobicContact CH2-CG 4.32Å; W419-Q461 HydrophobicContact CZ3-CB 4.21Å; W419-Q461 HydrophobicContact CZ3-CG 4.2Å; H459-Q461 VanDerWaalsContact C-N 3.25Å; H459-Q461 PolarHBondContact O-N 2.97Å; H459-Q461 VanDerWaalsContact O-N 3.17Å; Q461-M463 PolarHBondContact O-N 2.92Å; Q461-E464 PolarHBondContact O-N 2.88Å
462C42.6Very low49Very low76 Ų7675.8 Ų75.851%0.51442%0.417SS..G310 helixtrans-68.7-4173.8-57.40000112.8V458 H459V458-C462 HydrophobicContact CG1-CB 3.97Å; H459-C462 WeakPolarHBondContact O-CB 3.34Å; H459-C462 PolarHBondContact O-N 2.91Å
463M46.3Very low49Very low24 Ų2474.6 Ų74.612%0.11840%0.395CS..G310 helixtrans-115.38.9174.6-70.8-161.352.200113.1I447 V458 A460 Q461 L465 F481 C482I447-M463 HydrophobicContact CG2-SD 3.85Å; V458-M463 HydrophobicContact CG1-CG 4.12Å; A460-M463 PolarHBondContact O-N 2.83Å; Q461-M463 PolarHBondContact O-N 2.92Å; M463-L465 HydrophobicContact CB-CD1 3.82Å; M463-L465 HydrophobicContact CB-CG 3.69Å; M463-L465 HydrophobicContact CE-CD1 4.1Å; M463-L465 PolarHBondContact O-N 3.4Å; M463-L465 HydrophobicContact SD-CD1 4.31Å; M463-F481 WeakPolarHBondContact CE-O 3.23Å; M463-C482 HydrophobicContact CG-CB 4.24Å; M463-C482 HydrophobicContact SD-CB 4.46Å
464E52.3Low49.6Very low165 Ų16568 Ų6877%0.77137%0.373SS*.THydrogen-bonded Turntrans55.728.6-175.2-59.3179.5178.100113.6Q461 L483Q461-E464 PolarHBondContact O-N 2.88Å; E464-L483 HydrophobicContact CG-CD1 4.11Å
465L51.4Low49.4Very low32 Ų3272.6 Ų72.617%0.16838%0.379CS..  trans-88.6130.2-177.8-59.5176.8000111.1A460 M463 L469 L470 L473A460-L465 PolarHBondContact O-N 3.41Å; M463-L465 HydrophobicContact CB-CD1 3.82Å; M463-L465 HydrophobicContact CB-CG 3.69Å; M463-L465 HydrophobicContact CE-CD1 4.1Å; M463-L465 PolarHBondContact O-N 3.4Å; M463-L465 HydrophobicContact SD-CD1 4.31Å; L465-L469 HydrophobicContact CD2-CD2 3.72Å; L465-L470 HydrophobicContact CB-CD2 4.44Å; L465-L470 HydrophobicContact CB-CG 4.34Å; L465-L470 HydrophobicContact CD1-CD2 4.22Å; L465-L473 HydrophobicContact CD1-CD1 3.96Å
466T52.8Low49.2Very low88 Ų8873 Ų7354%0.5438%0.383SS..  trans-75.2153172.759.50000111.4G468 L469 L470T466-G468 VanDerWaalsContact C-N 3.27Å; T466-G468 PolarHBondContact O-N 3.28Å; T466-L469 WeakPolarHBondContact O-CA 3.12Å; T466-L469 VanDerWaalsContact O-CB 3.29Å; T466-L469 WeakPolarHBondContact O-CB 3.12Å; T466-L469 PolarHBondContact O-N 3Å; T466-L470 PolarHBondContact O-N 3.39Å
467E48.6Very low49Very low106 Ų10677.7 Ų77.750%0.49541%0.41SS..Hα-helixtrans-55-41.6179.3-171.2177-169.100112.6R443 L469 L470 V471R443-E467 VanDerWaalsContact CD-OE1 3.3Å; R443-E467 WeakPolarHBondContact CD-OE1 3.39Å; R443-E467 IonicContact CZ-OE1 3.44Å; R443-E467 VanDerWaalsContact CZ-OE1 3.31Å; R443-E467 IonicContact NE-OE1 3.31Å; R443-E467 PolarHBondContact NE-OE1 2.88Å; R443-E467 IonicContact NH1-OE1 3.98Å; R443-E467 PolarHBondContact NH1-OE1 2.8Å; R443-E467 IonicContact NH1-OE2 2.88Å; E467-L469 PolarHBondContact O-N 3.49Å; E467-L470 PolarHBondContact O-N 3.46Å; E467-V471 WeakPolarHBondContact O-CG2 3.42Å; E467-V471 PolarHBondContact O-N 2.78Å
468G51.8Low48.7Very low44 Ų4474.5 Ų74.545%0.45441%0.411SS..Hα-helixtrans-69.1-16.8175.400000114.7T466 R472T466-G468 VanDerWaalsContact C-N 3.27Å; T466-G468 PolarHBondContact O-N 3.28Å; G468-R472 PolarHBondContact O-NE 3.44Å; G468-R472 VanDerWaalsContact O-NE 3.14Å
469L53.3Low48.5Very low64 Ų6478.9 Ų78.934%0.33543%0.429SS..Hα-helixtrans-81.2-45.3169.6-130.291.7000110.2L465 T466 E467 V471 R472 L473L465-L469 HydrophobicContact CD2-CD2 3.72Å; T466-L469 WeakPolarHBondContact O-CA 3.12Å; T466-L469 VanDerWaalsContact O-CB 3.29Å; T466-L469 WeakPolarHBondContact O-CB 3.12Å; T466-L469 PolarHBondContact O-N 3Å; E467-L469 PolarHBondContact O-N 3.49Å; L469-V471 VanDerWaalsContact C-N 3.33Å; L469-V471 PolarHBondContact O-N 3.44Å; L469-R472 CarbonylContact O-C 3.57Å; L469-R472 WeakPolarHBondContact O-CA 3.34Å; L469-R472 WeakPolarHBondContact O-CB 3.37Å; L469-R472 PolarHBondContact O-N 3.03Å; L469-L473 HydrophobicContact CD2-CD1 4.43Å; L469-L473 VanDerWaalsContact O-CG 3.3Å; L469-L473 WeakPolarHBondContact O-CG 3.42Å; L469-L473 PolarHBondContact O-N 2.82Å
470L51.3Low48.6Very low21 Ų2177.6 Ų77.611%0.1142%0.422CS..Hα-helixtrans-56.6-44.3179.9-72.8159.9000112.9A460 L465 T466 E467 R472 L473 S474A460-L470 HydrophobicContact CB-CD1 3.19Å; A460-L470 HydrophobicContact CB-CD2 3.4Å; A460-L470 VanDerWaalsContact CB-CD2 3.4Å; A460-L470 HydrophobicContact CB-CG 3.81Å; L465-L470 HydrophobicContact CB-CD2 4.44Å; L465-L470 HydrophobicContact CB-CG 4.34Å; L465-L470 HydrophobicContact CD1-CD2 4.22Å; T466-L470 PolarHBondContact O-N 3.39Å; E467-L470 PolarHBondContact O-N 3.46Å; L470-R472 PolarHBondContact O-N 3.06Å; L470-L473 PolarHBondContact O-N 3.38Å; L470-L473 VanDerWaalsContact O-N 3.1Å; L470-S474 WeakPolarHBondContact O-CB 3.37Å; L470-S474 PolarHBondContact O-N 2.87Å; L470-S474 PolarHBondContact O-OG 2.95Å
471V48.7Very low48.8Very low63 Ų6379.2 Ų79.238%0.38243%0.428SS..Hα-helixtrans-62.5-32.4177.3174.70000111.7E467 L469 S474 Q475E467-V471 WeakPolarHBondContact O-CG2 3.42Å; E467-V471 PolarHBondContact O-N 2.78Å; L469-V471 VanDerWaalsContact C-N 3.33Å; L469-V471 PolarHBondContact O-N 3.44Å; V471-S474 PolarHBondContact O-OG 2.76Å; V471-S474 VanDerWaalsContact O-OG 3.13Å; V471-Q475 VanDerWaalsContact O-CD 3.27Å; V471-Q475 VanDerWaalsContact O-CG 3.22Å; V471-Q475 WeakPolarHBondContact O-CG 3.19Å; V471-Q475 PolarHBondContact O-NE2 3.35Å
472R51.8Low49.1Very low170 Ų17073.7 Ų73.764%0.64240%0.403SS*.Hα-helixtrans-75.5-36.5173.1-81.7-175-81174.4-7.6112.2G468 L469 L470 Q475G468-R472 PolarHBondContact O-NE 3.44Å; G468-R472 VanDerWaalsContact O-NE 3.14Å; L469-R472 CarbonylContact O-C 3.57Å; L469-R472 WeakPolarHBondContact O-CA 3.34Å; L469-R472 WeakPolarHBondContact O-CB 3.37Å; L469-R472 PolarHBondContact O-N 3.03Å; L470-R472 PolarHBondContact O-N 3.06Å; R472-Q475 PolarHBondContact O-N 2.98Å
473L51.5Low49.5Very low40 Ų4074.7 Ų74.721%0.20940%0.402CS..Hα-helixtrans-72-34.9179.9-67-173.6000112.5I447 L465 L469 L470 Q475 G476 Y480I447-L473 HydrophobicContact CD1-CD1 4.27Å; L465-L473 HydrophobicContact CD1-CD1 3.96Å; L469-L473 HydrophobicContact CD2-CD1 4.43Å; L469-L473 VanDerWaalsContact O-CG 3.3Å; L469-L473 WeakPolarHBondContact O-CG 3.42Å; L469-L473 PolarHBondContact O-N 2.82Å; L470-L473 PolarHBondContact O-N 3.38Å; L470-L473 VanDerWaalsContact O-N 3.1Å; L473-Q475 PolarHBondContact O-N 3.15Å; L473-G476 PolarHBondContact O-N 2.64Å; L473-Y480 WeakPolarHBondContact CA-OH 3.39Å; L473-Y480 HydrophobicContact CB-CE1 4.03Å; L473-Y480 HydrophobicContact CB-CE2 4.46Å; L473-Y480 WeakPolarHBondContact CB-OH 3.19Å; L473-Y480 HydrophobicContact CD1-CD1 4.1Å; L473-Y480 HydrophobicContact CD1-CE1 3.74Å; L473-Y480 HydrophobicContact CD2-CE1 3.53Å; L473-Y480 HydrophobicContact CG-CE1 3.93Å; L473-Y480 PolarHBondContact O-OH 3.38Å
474S48.6Very low49.5Very low77 Ų7780.9 Ų80.954%0.53844%0.436SS..THydrogen-bonded Turntrans-70.2-17.3176.369.90000113.3L470 V471L470-S474 WeakPolarHBondContact O-CB 3.37Å; L470-S474 PolarHBondContact O-N 2.87Å; L470-S474 PolarHBondContact O-OG 2.95Å; V471-S474 PolarHBondContact O-OG 2.76Å; V471-S474 VanDerWaalsContact O-OG 3.13Å
475Q46.9Very low49.4Very low152 Ų15277 Ų7771%0.7142%0.417SS*.THydrogen-bonded Turntrans-87.4-5.7176.7-69.3171.97.100112.9V471 R472 L473V471-Q475 VanDerWaalsContact O-CD 3.27Å; V471-Q475 VanDerWaalsContact O-CG 3.22Å; V471-Q475 WeakPolarHBondContact O-CG 3.19Å; V471-Q475 PolarHBondContact O-NE2 3.35Å; R472-Q475 PolarHBondContact O-N 2.98Å; L473-Q475 PolarHBondContact O-N 3.15Å
476G45.3Very low49.1Very low35 Ų3579 Ų7936%0.36145%0.446SS..SBendtrans-118.6149-178.300000113.3L473 G478L473-G476 PolarHBondContact O-N 2.64Å; G476-G478 PolarHBondContact O-N 3.07Å
477N47.6Very low48.9Very low163 Ų16376.4 Ų76.487%0.87244%0.437SS*.  trans-84.645.5176.5-69.1-16.5000112.4
478G46.6Very low48.8Very low42 Ų4278.1 Ų78.143%0.43345%0.449SS..  trans-88.3155.8-179.500000113.3G476 Y480G476-G478 PolarHBondContact O-N 3.07Å; G478-Y480 VanDerWaalsContact O-CE2 3.22Å; G478-Y480 WeakPolarHBondContact O-CE2 3.48Å
479K44.7Very low48.5Very low107 Ų10781 Ų8147%0.46546%0.459SS..  trans-95.5140.5167.6-72-176.7177.2-171.40109.9F481K479-F481 HydrophobicContact CB-CZ 4.38Å
480Y50.8Low48Very low35 Ų3587.7 Ų87.714%0.13748%0.48CS..BIsolated β-bridgetrans-124.9155.2-175.8-53.3-74.5000111.4I447 C449 S450 L473 G478I447-Y480 HydrophobicContact CD1-CD1 3.96Å; I447-Y480 HydrophobicContact CD1-CD2 3.31Å; I447-Y480 HydrophobicContact CD1-CE1 4.44Å; I447-Y480 HydrophobicContact CD1-CE2 3.83Å; I447-Y480 HydrophobicContact CD1-CG 3.37Å; I447-Y480 HydrophobicContact CG1-CD2 3.6Å; I447-Y480 HydrophobicContact CG1-CE2 4.29Å; I447-Y480 HydrophobicContact CG1-CG 3.99Å; C449-Y480 WeakPolarHBondContact CA-O 3.39Å; S450-Y480 PolarHBondContact N-O 3.33Å; L473-Y480 WeakPolarHBondContact CA-OH 3.39Å; L473-Y480 HydrophobicContact CB-CE1 4.03Å; L473-Y480 HydrophobicContact CB-CE2 4.46Å; L473-Y480 WeakPolarHBondContact CB-OH 3.19Å; L473-Y480 HydrophobicContact CD1-CD1 4.1Å; L473-Y480 HydrophobicContact CD1-CE1 3.74Å; L473-Y480 HydrophobicContact CD2-CE1 3.53Å; L473-Y480 HydrophobicContact CG-CE1 3.93Å; L473-Y480 PolarHBondContact O-OH 3.38Å; G478-Y480 VanDerWaalsContact O-CE2 3.22Å; G478-Y480 WeakPolarHBondContact O-CE2 3.48Å
481F50.8Low47.4Very low40 Ų4093.8 Ų93.818%0.17551%0.508CS..  trans-140.4132.1-171.2-54.3-72.5000111.4K451 M463 K479K451-F481 HydrophobicContact CB-CD1 3.98Å; K451-F481 HydrophobicContact CB-CE1 4.19Å; K451-F481 HydrophobicContact CD-CD1 4.49Å; M463-F481 WeakPolarHBondContact CE-O 3.23Å; K479-F481 HydrophobicContact CB-CZ 4.38Å
482C47.8Very low46.9Very low4 Ų499.4 Ų99.43%0.02753%0.53CS..  trans-82.1165.4-179.170.80000114.4V458 M463 D484 H485V458-C482 HydrophobicContact CG1-CB 3.97Å; V458-C482 HydrophobicContact CG2-CB 4.07Å; M463-C482 HydrophobicContact CG-CB 4.24Å; M463-C482 HydrophobicContact SD-CB 4.46Å; C482-D484 PolarHBondContact O-N 3.03Å; C482-H485 PolarHBondContact O-N 3.3Å; C482-H485 PolarHBondContact SG-ND1 3.36Å
483L50.5Low46.2Very low96 Ų9699.1 Ų99.150%0.50354%0.538SS..G310 helixtrans-67.1-32.5-176.2-66.8172.4000113.2E464 H485 G486E464-L483 HydrophobicContact CG-CD1 4.11Å; L483-H485 PolarHBondContact O-N 3.41Å; L483-H485 VanDerWaalsContact O-N 3.1Å; L483-G486 PolarHBondContact O-N 3.34Å; L483-G486 VanDerWaalsContact O-N 3.11Å
484D45.6Very low45.3Very low155 Ų155100.9 Ų100.983%0.82955%0.551SS**G310 helixtrans-63.8-15.8177.8-64.7-33.4000113.4C482C482-D484 PolarHBondContact O-N 3.03Å
485H51.8Low44.4Very low82 Ų82102.5 Ų102.538%0.3856%0.56SS.*G310 helixtrans-105.69.8178.4-65.8114.5000114.6K451 H456 C482 L483 G487K451-H485 HydrophobicContact CD-CB 4.19Å; K451-H485 PolarHBondContact NZ-O 2.55Å; K451-H485 VanDerWaalsContact NZ-O 3.08Å; H456-H485 AromaticContact CE1-CE1 3.47Å; H456-H485 PolarHBondContact CE1-CE1 3Å; H456-H485 VanDerWaalsContact CE1-CE1 3.47Å; H456-H485 AromaticContact CE1-ND1 3.92Å; C482-H485 PolarHBondContact O-N 3.3Å; C482-H485 PolarHBondContact SG-ND1 3.36Å; L483-H485 PolarHBondContact O-N 3.41Å; L483-H485 VanDerWaalsContact O-N 3.1Å; H485-G487 VanDerWaalsContact C-N 3.31Å; H485-G487 PolarHBondContact O-N 3.3Å; H485-G487 VanDerWaalsContact O-N 3.17Å
486G43.3Very low43.7Very low74 Ų74101.3 Ų101.376%0.76357%0.565SS**THydrogen-bonded Turntrans61.524.216600000116.8L483L483-G486 PolarHBondContact O-N 3.34Å; L483-G486 VanDerWaalsContact O-N 3.11Å
487G50.3Low43.1Very low35 Ų35111.1 Ų111.136%0.36159%0.591SS.*  trans-98.3150.3-179.300000114H485H485-G487 VanDerWaalsContact C-N 3.31Å; H485-G487 PolarHBondContact O-N 3.3Å; H485-G487 VanDerWaalsContact O-N 3.17Å
488L46.5Very low42.4Very low142 Ų142112.3 Ų112.374%0.74359%0.591SS**  trans-67150168.3-77.3168.1000110.8R490L488-R490 PolarHBondContact O-N 3.05Å
489P44.8Very low41.8Very low103 Ų103117 Ų11767%0.66961%0.611SS**SBendtrans-61.7-4.5-167.9-23.632.6000117.1
490R42.8Very low41.2Very low206 Ų206119.6 Ų119.678%0.77763%0.629SS**  trans-157.2120.6-176.5-164.2179-176.8-1450111.3L488L488-R490 PolarHBondContact O-N 3.05Å
491Q38.3Very low40.2Very low149 Ų149123.2 Ų123.270%0.69666%0.66SS**  trans-146.9121.9159.9-122.8169.7-1.300111.5
492E38.7Very low39.3Very low180 Ų180129.3 Ų129.384%0.84169%0.693SS**  trans63.2140168.5-63.6-175.2168.700120.4
493M37.4Very low38.6Very low164 Ų164138.9 Ų138.981%0.80873%0.734SS**PPolyproline II helixtrans-90.6132.6-178.6-63.7-158.373.900111.1
494T32.2Very low37.8Very low77 Ų77145.9 Ų145.947%0.47275%0.754SS.*PPolyproline II helixtrans-68.5141167.211.50000111.1
495P30.8Very low37.2Very low112 Ų112143.7 Ų143.773%0.72775%0.751SS**PPolyproline II helixtrans-63.8148.9177.5-14.327.4000111.4R497P495-R497 PolarHBondContact O-N 2.93Å
496P31.3Very low36.2Very low126 Ų126146 Ų14682%0.81877%0.773SS**PPolyproline II helixtrans-65.2134.1-178.325.1-31.5000111.8
497R32.9Very low35.6Very low242 Ų242151.5 Ų151.591%0.91378%0.781SS**PPolyproline II helixtrans-69125.9176.2-154.1176-173.9-178.82.1109.3P495 V499P495-R497 PolarHBondContact O-N 2.93Å; R497-V499 PolarHBondContact O-N 3.31Å
498Q32.7Very low35Very low188 Ų188159.2 Ų159.288%0.87981%0.805SS**PPolyproline II helixtrans-64.5117.8171.3-77.1-178.6-4.100109.3L500Q498-L500 PolarHBondContact O-N 3.49Å
499V33.2Very low34.2Very low139 Ų139158.6 Ų158.684%0.84281%0.809SS**  trans-77.4113.1176-179.40000108.3R497R497-V499 PolarHBondContact O-N 3.31Å
500L33.9Very low33.8Very low162 Ų162162.9 Ų162.985%0.84882%0.82SS**  trans-73.7128.1164.1-81165.2000109Q498 L502Q498-L500 PolarHBondContact O-N 3.49Å; L500-L502 PolarHBondContact O-N 2.95Å
501S27.9Very low33.5Very low112 Ų112162.1 Ų162.178%0.78383%0.825SS**  trans-68.5114.2-178.960.10000111.4K503S501-K503 PolarHBondContact O-N 3.01Å
502L33.2Very low33.3Very low167 Ų167166.7 Ų166.787%0.87484%0.836SS**  trans-71.3116164.9-80.3158.5000109.4L500 R504L500-L502 PolarHBondContact O-N 2.95Å; L502-R504 PolarHBondContact O-N 2.75Å
503K32.6Very low33.2Very low206 Ų206168.1 Ų168.190%0.89684%0.839SS**  trans-65.1112.8167.3-80.7-179.2176.5176.80108.7S501S501-K503 PolarHBondContact O-N 3.01Å
504R32.8Very low33.5Very low243 Ų243163.1 Ų163.192%0.91783%0.83SS**PPolyproline II helixtrans-82.2124.5169.8-75.7-178.7174.9178.5-2110.1L502L502-R504 PolarHBondContact O-N 2.75Å
505S32.9Very low33.6Very low109 Ų109165.7 Ų165.776%0.76285%0.848SS**PPolyproline II helixtrans-73.3134.1160.5-43.60000109M507S505-M507 PolarHBondContact O-N 3.48Å
506P31.2Very low33.9Very low131 Ų131169.4 Ų169.485%0.85186%0.858SS**PPolyproline II helixtrans-78.6122.1-177.428.7-30.2000111.5
507M31.9Very low34.3Very low189 Ų189171.4 Ų171.493%0.93186%0.859SS**PPolyproline II helixtrans-84.3141.6165-78.7179.564.100110.9S505S505-M507 PolarHBondContact O-N 3.48Å
508K36.6Very low34.8Very low197 Ų197165.3 Ų165.386%0.85785%0.85SS**PPolyproline II helixtrans-61.6148.4-177.9-74.9175.7176.6174.80112.9
509P31.3Very low35.3Very low128 Ų128166.5 Ų166.583%0.83185%0.853SS**PPolyproline II helixtrans-74.8127.3-179.229.3-32.5000112.1
510Q35.5Very low36.1Very low193 Ų193164 Ų16490%0.90283%0.833SS**PPolyproline II helixtrans-84.1136.2163.2-78.4-175.4-11.700110.4
511H35.5Very low37.5Very low190 Ų190160.2 Ų160.288%0.8882%0.817SS**PPolyproline II helixtrans-61.6129.8-179-108-96000112.8K513H511-K513 PolarHBondContact O-N 3.33Å
512R35.6Very low38.8Very low246 Ų246160.2 Ų160.293%0.92881%0.814SS**PPolyproline II helixtrans-64.3121.8166.5-83.3178168.1174.4-4.5110.5
513K36.6Very low39.7Very low209 Ų209156 Ų15691%0.90980%0.803SS**PPolyproline II helixtrans-79.3132.4161.9-74.7-179.8178.6174.40109.1H511H511-K513 PolarHBondContact O-N 3.33Å
514G42.8Very low40.7Very low60 Ų60152.4 Ų152.462%0.61979%0.787SS**  trans-78-178.7176.800000113.7
515P35.2Very low41.9Very low131 Ų131147.6 Ų147.685%0.85177%0.773SS**PPolyproline II helixtrans-67.8137.2-172-6.420.5000111.7M517P515-M517 PolarHBondContact O-N 3.43Å
516M36.7Very low42.7Very low190 Ų190151.5 Ų151.594%0.93677%0.771SS**PPolyproline II helixtrans-73.3119.8176.2-74-178.471.700111.2
517M38.6Very low43.9Very low168 Ų168152 Ų15283%0.82876%0.76SS**PPolyproline II helixtrans-88.1131167.5-75.4-79.6-72.300109.9P515 K519P515-M517 PolarHBondContact O-N 3.43Å; M517-K519 PolarHBondContact O-N 3.22Å
518P43.8Very low45Very low113 Ų113148.4 Ų148.473%0.73474%0.739SS**PPolyproline II helixtrans-72.1126176.426.6-30.2000111M520P518-M520 PolarHBondContact O-N 3.36Å
519K42.7Very low45.7Very low214 Ų214149 Ų14993%0.9374%0.736SS**  trans-80.1104.7175.8-73-178.2178.7176.60110.2M517M517-K519 PolarHBondContact O-N 3.22Å
520M50.6Low46.8Very low87 Ų87152.1 Ų152.143%0.42973%0.732SS.*  trans-88.2140.1168.4-71.117777.300111.6P518 K524 F528P518-M520 PolarHBondContact O-N 3.36Å; M520-K524 HydrophobicContact CE-CB 3.8Å; M520-K524 HydrophobicContact CE-CD 4.43Å; M520-F528 HydrophobicContact CE-CD2 3.64Å; M520-F528 HydrophobicContact CE-CE2 3.63Å
521T62.6Low47.5Very low82 Ų82147.6 Ų147.650%0.50371%0.713SS.*  trans-72.4155.1177.5560000112.5A523 K524 K525T521-A523 PolarHBondContact O-N 3.26Å; T521-K524 PolarHBondContact O-N 3.47Å; T521-K525 PolarHBondContact O-N 3.21Å
522P55.5Low48.4Very low112 Ų112147 Ų14773%0.72771%0.708SS**Hα-helixtrans-57.3-31.1-178.7-25.134.1000114.2K525 R526P522-K525 PolarHBondContact O-N 3.46Å; P522-R526 PolarHBondContact O-N 3.45Å
523A53.5Low48.8Very low78 Ų78146 Ų14665%0.64571%0.714SS**Hα-helixtrans-66.9-41.3175.600000112.4T521 K525 R526 F527T521-A523 PolarHBondContact O-N 3.26Å; A523-K525 PolarHBondContact O-N 3.29Å; A523-R526 PolarHBondContact O-N 3.29Å; A523-F527 PolarHBondContact O-N 3.31Å
524K53.3Low49.4Very low130 Ų130142.9 Ų142.957%0.56571%0.705SS**Hα-helixtrans-67.2-34.4175.8-86-177.2171.4178.80112.1M520 T521 R526 F527 F528M520-K524 HydrophobicContact CE-CB 3.8Å; M520-K524 HydrophobicContact CE-CD 4.43Å; T521-K524 PolarHBondContact O-N 3.47Å; K524-R526 VanDerWaalsContact C-N 3.34Å; K524-R526 PolarHBondContact O-N 3.45Å; K524-F527 PolarHBondContact O-N 3.5Å; K524-F528 WeakPolarHBondContact O-CD2 3.46Å; K524-F528 PolarHBondContact O-N 3.29Å
525K57.7Low49.7Very low143 Ų143147.3 Ų147.362%0.62271%0.709SS**Hα-helixtrans-66.5-31.8174.9-74.8-175.7178.4-179.70113.5T521 P522 A523T521-K525 PolarHBondContact O-N 3.21Å; P522-K525 PolarHBondContact O-N 3.46Å; A523-K525 PolarHBondContact O-N 3.29Å
526R50.3Low50.6Low191 Ų191148.2 Ų148.272%0.72170%0.701SS**Hα-helixtrans-78.7-28.3179.5-146.3178.4-171.8-171.82.7112.8P522 A523 K524P522-R526 PolarHBondContact O-N 3.45Å; A523-R526 PolarHBondContact O-N 3.29Å; K524-R526 VanDerWaalsContact C-N 3.34Å; K524-R526 PolarHBondContact O-N 3.45Å
527F56.3Low51.4Low140 Ų140145.7 Ų145.761%0.61469%0.688SS**Hα-helixtrans-71.5-46.2175.2-174.1-101.7000112.1A523 K524 R529 R530 L531A523-F527 PolarHBondContact O-N 3.31Å; K524-F527 PolarHBondContact O-N 3.5Å; F527-R529 PolarHBondContact O-N 3.05Å; F527-R530 PolarHBondContact O-N 3.17Å; F527-L531 HydrophobicContact CD1-CD1 3.81Å; F527-L531 HydrophobicContact CE1-CD1 3.34Å; F527-L531 HydrophobicContact CE2-CD1 4.5Å; F527-L531 HydrophobicContact CZ-CD1 3.74Å
528F53.8Low52.2Low114 Ų114144.3 Ų144.350%0.568%0.679SS.*Hα-helixtrans-65-25.4177.9-87.6-78.3000113.9M520 K524 R530M520-F528 HydrophobicContact CE-CD2 3.64Å; M520-F528 HydrophobicContact CE-CE2 3.63Å; K524-F528 WeakPolarHBondContact O-CD2 3.46Å; K524-F528 PolarHBondContact O-N 3.29Å; F528-R530 VanDerWaalsContact C-N 3.34Å
529R52.2Low52.7Low210 Ų210146.4 Ų146.479%0.79268%0.675SS**THydrogen-bonded Turntrans-76.2-18.4178.3-138.8-177-152-175.75114.1F527F527-R529 PolarHBondContact O-N 3.05Å
530R54.3Low53.5Low193 Ų193141.6 Ų141.673%0.72866%0.657SS**THydrogen-bonded Turntrans-96-5.7177.1-77.6-174.4-179.5177.2-1.5113.9F527 F528F527-R530 PolarHBondContact O-N 3.17Å; F528-R530 VanDerWaalsContact C-N 3.34Å
531L49.4Very low53.7Low98 Ų98145.8 Ų145.851%0.51367%0.674SS.*SBendtrans-92.1-5.7-179.8-108141.6000112.7F527F527-L531 HydrophobicContact CD1-CD1 3.81Å; F527-L531 HydrophobicContact CE1-CD1 3.34Å; F527-L531 HydrophobicContact CE2-CD1 4.5Å; F527-L531 HydrophobicContact CZ-CD1 3.74Å
532F54Low52.9Low177 Ų177151.1 Ų151.178%0.77669%0.689SS**  trans-135.119.2-178-66.2-78.2000113
533E44.8Very low52.7Low227 Ų227154.6 Ų154.6100%1.06169%0.685SS**  trans-113.50151.1-80-179.9174.300106.5

Retrieved 533 of 533 residues in 1169.7 ms (Link to these results)