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Dynein axonemal assembly factor 10

Key assembly factor specifically required for the stability of axonemal dynein heavy chains in cytoplasm.

AlphaFold DB , UniProt , Accession A0A096MX58, Species PAPAN (Papio anubis, Olive baboon), Gene DNAAF10, Length 357 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
1M51.9Low80.3Confident185 Ų18583 Ų8391%0.91144%0.438SS*.  0128.70-77179.1-160.500108.9E5M1-E5 WeakPolarHBondContact CA-OE2 3.23Å; M1-E5 HydrophobicContact CB-CB 4.11Å; M1-E5 WeakPolarHBondContact CB-OE2 3.28Å; M1-E5 HydrophobicContact CG-CB 4.35Å; M1-E5 WeakPolarHBondContact CG-OE2 3.4Å
2S54.1Low81.6Confident61 Ų6184.4 Ų84.443%0.42744%0.44SS..  trans-61.5154.9172.969.70000109.8F4 E5S2-F4 PolarHBondContact O-N 3.11Å; S2-E5 PolarHBondContact N-OE2 3.44Å; S2-E5 PolarHBondContact O-N 2.93Å
3A57.7Low82.8Confident77 Ų7778.6 Ų78.664%0.63641%0.41SS*.THydrogen-bonded Turntrans-55.3-25.2178.700000112.7E5A3-E5 VanDerWaalsContact C-N 3.34Å; A3-E5 PolarHBondContact O-N 3.46Å
4F62.7Low83.8Confident182 Ų18280.4 Ų80.480%0.79842%0.415SS*.THydrogen-bonded Turntrans-79.7-5.9177.4-63.6-76.3000114.8S2 K353S2-F4 PolarHBondContact O-N 3.11Å; F4-K353 PolarHBondContact O-NZ 2.93Å
5E83.1Confident84.7Confident105 Ų10579 Ų7949%0.49141%0.405SS..THydrogen-bonded Turntrans-95.3-24.6176-74.4168.9169.500112.6M1 S2 A3 K353M1-E5 WeakPolarHBondContact CA-OE2 3.23Å; M1-E5 HydrophobicContact CB-CB 4.11Å; M1-E5 WeakPolarHBondContact CB-OE2 3.28Å; M1-E5 HydrophobicContact CG-CB 4.35Å; M1-E5 WeakPolarHBondContact CG-OE2 3.4Å; S2-E5 PolarHBondContact N-OE2 3.44Å; S2-E5 PolarHBondContact O-N 2.93Å; A3-E5 VanDerWaalsContact C-N 3.34Å; A3-E5 PolarHBondContact O-N 3.46Å; E5-K353 WeakPolarHBondContact O-CD 3.5Å
6K89.6Confident85.4Confident99 Ų9977.5 Ų77.543%0.4342%0.415SS..SBendtrans-65.7144.1-178.1-65.7-171.9179.4-173.10112.2Q8 K353K6-Q8 PolarHBondContact O-NE2 3.16Å; K6-K353 WeakPolarHBondContact O-CD 3.4Å; K6-K353 PolarHBondContact O-NZ 3.2Å
7P95.4Very high86Confident6 Ų674.2 Ų74.24%0.03940%0.396CS..  trans-52.6147.6169.1-25.136.8000110.8L286 L314 Q315 T352 I357P7-L286 HydrophobicContact CB-CD2 3.7Å; P7-L286 HydrophobicContact CG-CD2 3.95Å; P7-L314 HydrophobicContact CG-CB 4.3Å; P7-Q315 HydrophobicContact CB-CB 4.44Å; P7-Q315 VanDerWaalsContact O-CG 3.29Å; P7-Q315 WeakPolarHBondContact O-CG 3.48Å; P7-Q315 PolarHBondContact O-NE2 2.95Å; P7-T352 WeakPolarHBondContact CB-O 3.5Å; P7-I357 HydrophobicContact CB-CD1 4.36Å; P7-I357 HydrophobicContact CG-CD1 3.31Å; P7-I357 HydrophobicContact CG-CG1 4.14Å
8Q96.4Very high86.6Confident75 Ų7576.3 Ų76.335%0.3541%0.407SS..  trans-115.8136.6172.5-57.4-64.7-54.900108.4K6 I10 V351 T352K6-Q8 PolarHBondContact O-NE2 3.16Å; Q8-I10 HydrophobicContact CB-CD1 4.23Å; Q8-I10 HydrophobicContact CB-CG1 4.01Å; Q8-V351 VanDerWaalsContact O-CA 3.3Å; Q8-V351 WeakPolarHBondContact O-CA 3.49Å; Q8-T352 WeakPolarHBondContact CB-OG1 3.37Å; Q8-T352 PolarHBondContact N-OG1 3.17Å; Q8-T352 PolarHBondContact O-N 2.71Å; Q8-T352 PolarHBondContact O-OG1 2.75Å
9I97.9Very high87.2Confident11 Ų1172.4 Ų72.46%0.05639%0.386CS..EExtended strand (participates in β ladder)trans-103.1106.9172.1-57.9169.5000106.4L276 L284 L286 Q315 V317 L319 L349 V351I9-L276 HydrophobicContact CD1-CD2 4Å; I9-L284 HydrophobicContact CD1-CB 4.34Å; I9-L284 HydrophobicContact CG2-CD1 4.21Å; I9-L286 HydrophobicContact CD1-CB 4.23Å; I9-Q315 HydrophobicContact CD1-CB 4.35Å; I9-Q315 HydrophobicContact CD1-CG 4.06Å; I9-Q315 HydrophobicContact CG1-CG 4.03Å; I9-V317 HydrophobicContact CB-CG1 4.26Å; I9-V317 HydrophobicContact CB-CG2 3.71Å; I9-V317 HydrophobicContact CD1-CG2 4.1Å; I9-V317 HydrophobicContact CG2-CG2 3.66Å; I9-L319 HydrophobicContact CG2-CD1 4.44Å; I9-L349 HydrophobicContact CG2-CD1 4.38Å; I9-V351 HydrophobicContact CG1-CG1 4.3Å; I9-V351 HydrophobicContact CG1-CG2 4.19Å; I9-V351 HydrophobicContact CG2-CG2 4.32Å
10I97.5Very high87.7Confident79 Ų7971.2 Ų71.241%0.40538%0.381SS..EExtended strand (participates in β ladder)trans-110.5123.6-171.4-56171.2000108.5Q8 H12 L349 I350 T352Q8-I10 HydrophobicContact CB-CD1 4.23Å; Q8-I10 HydrophobicContact CB-CG1 4.01Å; I10-H12 PolarHBondContact O-N 2.8Å; I10-L349 CarbonylContact O-C 3.55Å; I10-L349 VanDerWaalsContact O-CA 3.24Å; I10-L349 WeakPolarHBondContact O-CA 3.06Å; I10-I350 PolarHBondContact N-O 3.49Å; I10-I350 PolarHBondContact O-N 2.66Å; I10-T352 HydrophobicContact CD1-CG2 3.9Å
11A96.6Very high88.2Confident33 Ų3367.8 Ų67.827%0.27336%0.363SS..EExtended strand (participates in β ladder)trans-74.4102.8167.400000109Q14 L319 L349A11-Q14 HydrophobicContact CB-CG 4.4Å; A11-L319 HydrophobicContact CB-CD2 4.27Å; A11-L349 HydrophobicContact CB-CD2 4.12Å
12H95.9Very high90.4Very high100 Ų10060.7 Ų60.746%0.46333%0.327SS..EExtended strand (participates in β ladder)trans-84.9-47.8-174.3-179.844.5000112.2I10 V348 I350I10-H12 PolarHBondContact O-N 2.8Å; H12-V348 WeakPolarHBondContact CB-O 3.47Å; H12-V348 PolarHBondContact N-O 2.88Å; H12-I350 HydrophobicContact CB-CD1 3.9Å; H12-I350 HydrophobicContact CB-CG1 4.02Å
13I96.9Very high92.6Very high9 Ų958.3 Ų58.35%0.04631%0.31CS..EExtended strand (participates in β ladder)trans-133.7140.4177.6-45.9171.2000108.4I51 G54 L56 R347 V348I13-I51 HydrophobicContact CD1-CG1 4.46Å; I13-I51 HydrophobicContact CD1-CG2 3.8Å; I13-G54 WeakPolarHBondContact CD1-O 3.28Å; I13-G54 WeakPolarHBondContact CG1-O 3.48Å; I13-L56 HydrophobicContact CB-CG 4.46Å; I13-L56 HydrophobicContact CG2-CD1 4.1Å; I13-L56 HydrophobicContact CG2-CG 3.74Å; I13-R347 CarbonylContact O-C 3.58Å; I13-R347 WeakPolarHBondContact O-CA 3.34Å; I13-V348 HydrophobicContact CB-CB 4.18Å; I13-V348 HydrophobicContact CB-CG2 4.49Å; I13-V348 PolarHBondContact N-O 2.62Å; I13-V348 PolarHBondContact O-N 3.2Å
14Q96.8Very high94.5Very high104 Ų10454.7 Ų54.749%0.48628%0.28SS..EExtended strand (participates in β ladder)trans-134.6140.2177.3-54.3-174.265.700109.5A11 T345 V346 R347A11-Q14 HydrophobicContact CB-CG 4.4Å; Q14-T345 HydrophobicContact CB-CG2 4.22Å; Q14-V346 WeakPolarHBondContact CA-O 3.37Å; Q14-R347 HydrophobicContact CB-CG 4.41Å; Q14-R347 HydrophobicContact CG-CB 4.39Å; Q14-R347 HydrophobicContact CG-CG 3.93Å
15K97.3Very high96.2Very high59 Ų5946.7 Ų46.726%0.25725%0.245SC..EExtended strand (participates in β ladder)trans-140.5127177.1-176.5160.1-171.7142.80110.7Y49 L56 T345 V346K15-Y49 HydrophobicContact CD-CD1 4.44Å; K15-Y49 HydrophobicContact CD-CE1 3.77Å; K15-L56 HydrophobicContact CB-CD1 3.74Å; K15-L56 HydrophobicContact CD-CB 3.8Å; K15-L56 HydrophobicContact CD-CD1 4.4Å; K15-L56 PolarHBondContact NZ-O 3.2Å; K15-T345 WeakPolarHBondContact O-CA 3.01Å; K15-V346 HydrophobicContact CB-CG1 4.01Å; K15-V346 PolarHBondContact N-O 2.75Å; K15-V346 PolarHBondContact O-N 3.03Å
16G97.2Very high97Very high55 Ų5542 Ų4257%0.56722%0.223SC*.EExtended strand (participates in β ladder)trans-76.8149.5172.800000111.8Q344G16-Q344 CarbonylContact C-O 3.4Å; G16-Q344 WeakPolarHBondContact CA-O 3.09Å
17F95.9Very high97.4Very high21 Ų2137.8 Ų37.89%0.09221%0.205CC..  trans-116.2166174.7-62.4-42.9000110.4Y19 V21 T35 Y49 Q344 V346F17-Y19 HydrophobicContact CB-CD1 3.75Å; F17-Y19 HydrophobicContact CB-CE1 3.58Å; F17-Y19 HydrophobicContact CB-CG 4.36Å; F17-Y19 AromaticContact CD1-CE1 3.65Å; F17-Y19 HydrophobicContact CD1-CE1 3.65Å; F17-Y19 AromaticContact CD1-CZ 3.96Å; F17-Y19 HydrophobicContact CD2-CE1 4.14Å; F17-Y19 HydrophobicContact CD2-CE2 4.35Å; F17-Y19 AromaticContact CD2-CZ 3.83Å; F17-Y19 HydrophobicContact CE1-CE1 4.35Å; F17-Y19 HydrophobicContact CG-CD1 4.22Å; F17-Y19 AromaticContact CG-CE1 3.53Å; F17-Y19 HydrophobicContact CG-CE1 3.53Å; F17-Y19 AromaticContact CG-CZ 3.71Å; F17-V21 HydrophobicContact CD2-CB 4.19Å; F17-V21 HydrophobicContact CD2-CG1 4.13Å; F17-V21 HydrophobicContact CE2-CB 4.31Å; F17-V21 HydrophobicContact CE2-CG1 4.33Å; F17-V21 HydrophobicContact CE2-CG2 4.4Å; F17-T35 HydrophobicContact CE2-CG2 3.95Å; F17-T35 HydrophobicContact CZ-CG2 3.77Å; F17-Y49 AromaticContact CE1-CE2 3.49Å; F17-Y49 HydrophobicContact CE1-CE2 3.49Å; F17-Y49 VanDerWaalsContact CE1-CE2 3.49Å; F17-Y49 AromaticContact CE1-CZ 3.6Å; F17-Y49 VanDerWaalsContact CE1-OH 3.3Å; F17-Y49 WeakPolarHBondContact CE1-OH 3.1Å; F17-Y49 AromaticContact CZ-CE2 3.84Å; F17-Y49 HydrophobicContact CZ-CE2 3.84Å; F17-Q344 HydrophobicContact CB-CB 4.35Å; F17-Q344 WeakPolarHBondContact CB-O 3.5Å; F17-Q344 PolarHBondContact N-O 2.81Å; F17-Q344 PolarHBondContact O-OE1 2.9Å; F17-V346 HydrophobicContact CE1-CG1 4.02Å; F17-V346 HydrophobicContact CE2-CB 3.61Å; F17-V346 HydrophobicContact CE2-CG1 3.82Å; F17-V346 HydrophobicContact CZ-CB 3.6Å; F17-V346 HydrophobicContact CZ-CG1 3.3Å
18N95.4Very high97.4Very high113 Ų11337.9 Ų37.960%0.60421%0.206SC*.SBendtrans-108.621.4172.163.1-15.8000111.9
19Y97.9Very high97.4Very high2 Ų237.6 Ų37.61%0.00821%0.211CC..SBendtrans-146.1162-176.568.9-90.9000110.3F17 V21 T35 N38 F39 V45 Q47 Q344F17-Y19 HydrophobicContact CB-CD1 3.75Å; F17-Y19 HydrophobicContact CB-CE1 3.58Å; F17-Y19 HydrophobicContact CB-CG 4.36Å; F17-Y19 AromaticContact CD1-CE1 3.65Å; F17-Y19 HydrophobicContact CD1-CE1 3.65Å; F17-Y19 AromaticContact CD1-CZ 3.96Å; F17-Y19 HydrophobicContact CD2-CE1 4.14Å; F17-Y19 HydrophobicContact CD2-CE2 4.35Å; F17-Y19 AromaticContact CD2-CZ 3.83Å; F17-Y19 HydrophobicContact CE1-CE1 4.35Å; F17-Y19 HydrophobicContact CG-CD1 4.22Å; F17-Y19 AromaticContact CG-CE1 3.53Å; F17-Y19 HydrophobicContact CG-CE1 3.53Å; F17-Y19 AromaticContact CG-CZ 3.71Å; Y19-V21 HydrophobicContact CE2-CB 4.06Å; Y19-V21 PolarHBondContact O-N 3.45Å; Y19-T35 PolarHBondContact OH-OG1 3.16Å; Y19-N38 WeakPolarHBondContact CB-O 3.49Å; Y19-F39 HydrophobicContact CD1-CE1 4.19Å; Y19-F39 HydrophobicContact CG-CE1 4.44Å; Y19-V45 HydrophobicContact CD1-CG1 4.26Å; Y19-V45 HydrophobicContact CD2-CG1 3.38Å; Y19-V45 HydrophobicContact CE1-CG1 4.47Å; Y19-V45 HydrophobicContact CE2-CG1 3.62Å; Y19-V45 HydrophobicContact CG-CG1 3.75Å; Y19-Q47 HydrophobicContact CE1-CG 4.33Å; Y19-Q47 VanDerWaalsContact CZ-OE1 3.32Å; Y19-Q47 PolarHBondContact OH-OE1 3.29Å; Y19-Q344 WeakPolarHBondContact O-CG 3.38Å
20T98.2Very high97.3Very high47 Ų4738.7 Ų38.729%0.28822%0.22SC..EExtended strand (participates in β ladder)trans-82118.7176.4-61.80000109.2F22 G37 N38 F342T20-F22 HydrophobicContact CG2-CD1 4.19Å; T20-F22 HydrophobicContact CG2-CE1 3.55Å; T20-F22 HydrophobicContact CG2-CE2 4.43Å; T20-F22 HydrophobicContact CG2-CZ 3.68Å; T20-G37 CarbonylContact O-C 3.55Å; T20-G37 WeakPolarHBondContact O-CA 3.4Å; T20-N38 PolarHBondContact N-O 2.87Å; T20-N38 PolarHBondContact O-N 2.81Å; T20-F342 HydrophobicContact CG2-CD1 4.38Å
21V98.2Very high97.2Very high0 Ų036.9 Ų36.90%022%0.217CC..EExtended strand (participates in β ladder)trans-93130.7175.859.70000110.4F17 Y19 T35 S341 F342F17-V21 HydrophobicContact CD2-CB 4.19Å; F17-V21 HydrophobicContact CD2-CG1 4.13Å; F17-V21 HydrophobicContact CE2-CB 4.31Å; F17-V21 HydrophobicContact CE2-CG1 4.33Å; F17-V21 HydrophobicContact CE2-CG2 4.4Å; Y19-V21 HydrophobicContact CE2-CB 4.06Å; Y19-V21 PolarHBondContact O-N 3.45Å; V21-T35 HydrophobicContact CG2-CG2 4.34Å; V21-S341 WeakPolarHBondContact CG1-O 3.48Å; V21-F342 WeakPolarHBondContact O-CE1 3.45Å
22F98.6Very high97.3Very high36 Ų3638.4 Ų38.416%0.15822%0.217CC..EExtended strand (participates in β ladder)trans-108.3-31.2179.1-63.4-58.6000113.3T20 M36 N38 I68 K69 F88 F342T20-F22 HydrophobicContact CG2-CD1 4.19Å; T20-F22 HydrophobicContact CG2-CE1 3.55Å; T20-F22 HydrophobicContact CG2-CE2 4.43Å; T20-F22 HydrophobicContact CG2-CZ 3.68Å; F22-M36 PolarHBondContact N-O 2.96Å; F22-N38 WeakPolarHBondContact CE2-OD1 3.42Å; F22-N38 VanDerWaalsContact CZ-OD1 3.3Å; F22-N38 WeakPolarHBondContact CZ-OD1 3.38Å; F22-I68 WeakPolarHBondContact CD2-O 3.35Å; F22-K69 HydrophobicContact CB-CD 4.2Å; F22-K69 VanDerWaalsContact CB-O 3.32Å; F22-K69 WeakPolarHBondContact CB-O 3.28Å; F22-K69 HydrophobicContact CG-CD 4.21Å; F22-F88 AromaticContact CD2-CE2 3.87Å; F22-F88 HydrophobicContact CD2-CE2 3.87Å; F22-F88 HydrophobicContact CD2-CZ 4.07Å; F22-F88 HydrophobicContact CE1-CZ 4.31Å; F22-F88 HydrophobicContact CE2-CE1 4.49Å; F22-F88 AromaticContact CE2-CE2 3.58Å; F22-F88 HydrophobicContact CE2-CE2 3.58Å; F22-F88 AromaticContact CE2-CZ 3.4Å; F22-F88 HydrophobicContact CE2-CZ 3.4Å; F22-F88 HydrophobicContact CZ-CE1 4.48Å; F22-F88 HydrophobicContact CZ-CE2 4.21Å; F22-F88 AromaticContact CZ-CZ 3.57Å; F22-F88 HydrophobicContact CZ-CZ 3.57Å; F22-F342 AromaticContact CD1-CE1 3.87Å; F22-F342 HydrophobicContact CD1-CE1 3.87Å; F22-F342 HydrophobicContact CD1-CZ 4.47Å; F22-F342 HydrophobicContact CE1-CE1 4.29Å
23D98.8Very high97.4Very high12 Ų1233.7 Ų33.76%0.06420%0.195CC..EExtended strand (participates in β ladder)trans-147.1156.9179.5-159.810.7000112.5K25 T35 M36 G71 S326D23-K25 IonicContact OD1-NZ 3.87Å; D23-K25 PolarHBondContact OD1-NZ 3.2Å; D23-K25 IonicContact OD2-NZ 2.89Å; D23-K25 PolarHBondContact OD2-NZ 3.47Å; D23-T35 WeakPolarHBondContact O-CA 3.48Å; D23-M36 HydrophobicContact CB-CG 3.83Å; D23-M36 HydrophobicContact CB-SD 4.12Å; D23-M36 PolarHBondContact N-O 2.87Å; D23-M36 PolarHBondContact O-N 3.02Å; D23-G71 PolarHBondContact OD2-N 2.89Å; D23-S326 VanDerWaalsContact OD1-CB 3.28Å; D23-S326 WeakPolarHBondContact OD1-CB 3.21Å
24C98.7Very high97.5Very high0 Ų033.2 Ų33.20%019%0.193CC..EExtended strand (participates in β ladder)trans-144.4144.6173.465.60000111V34 T35 S326 V338C24-V34 CarbonylContact C-O 3.53Å; C24-V34 WeakPolarHBondContact CA-O 3.31Å; C24-V34 WeakPolarHBondContact CB-O 3.38Å; C24-T35 HydrophobicContact CB-CG2 3.97Å; C24-S326 PolarHBondContact N-OG 2.95Å; C24-S326 PolarHBondContact SG-OG 2.89Å; C24-V338 HydrophobicContact CB-CG1 4.45Å
25K98.8Very high97.6Very high15 Ų1528.3 Ų28.37%0.06517%0.17CC..EExtended strand (participates in β ladder)trans-145.6139.1-178.3-65.8-70.5167.5-860111.6D23 F33 V34 G71 F73 D328D23-K25 IonicContact OD1-NZ 3.87Å; D23-K25 PolarHBondContact OD1-NZ 3.2Å; D23-K25 IonicContact OD2-NZ 2.89Å; D23-K25 PolarHBondContact OD2-NZ 3.47Å; K25-F33 CarbonylContact O-C 3.41Å; K25-F33 VanDerWaalsContact O-CA 3.24Å; K25-F33 WeakPolarHBondContact O-CA 3.44Å; K25-F33 VanDerWaalsContact O-CB 3.27Å; K25-F33 WeakPolarHBondContact O-CB 3.45Å; K25-V34 HydrophobicContact CB-CG2 4.06Å; K25-V34 PolarHBondContact N-O 2.91Å; K25-V34 PolarHBondContact O-N 3.19Å; K25-G71 VanDerWaalsContact CE-O 3.27Å; K25-G71 WeakPolarHBondContact CE-O 3.34Å; K25-G71 WeakPolarHBondContact CG-O 3.3Å; K25-F73 HydrophobicContact CB-CD2 4.03Å; K25-F73 HydrophobicContact CB-CE2 3.97Å; K25-D328 VanDerWaalsContact CA-OD2 3.3Å; K25-D328 WeakPolarHBondContact CA-OD2 3.22Å; K25-D328 HydrophobicContact CD-CB 4.32Å
26W98.6Very high97.7Very high6 Ų625.5 Ų25.52%0.02316%0.158CC..EExtended strand (participates in β ladder)trans-64.5136.4167.9-72.999.9000110.4P28 K32 F33 I51 F73 D328 W329 L336 V338W26-P28 WeakPolarHBondContact O-CD 3.39Å; W26-K32 VanDerWaalsContact CE3-O 3.29Å; W26-F33 HydrophobicContact CD2-CB 4.26Å; W26-F33 HydrophobicContact CE3-CB 3.97Å; W26-F33 HydrophobicContact CE3-CD1 4.39Å; W26-F33 HydrophobicContact CH2-CD1 4.02Å; W26-F33 HydrophobicContact CZ3-CB 4.28Å; W26-F33 AromaticContact CZ3-CD1 3.85Å; W26-F33 HydrophobicContact CZ3-CD1 3.85Å; W26-I51 HydrophobicContact CH2-CD1 3.57Å; W26-I51 HydrophobicContact CZ3-CD1 3.98Å; W26-F73 WeakPolarHBondContact O-CD2 3.43Å; W26-F73 WeakPolarHBondContact O-CE2 3.45Å; W26-D328 PolarHBondContact N-OD2 2.95Å; W26-D328 PolarHBondContact NE1-O 3.07Å; W26-D328 VanDerWaalsContact NE1-O 3.07Å; W26-W329 VanDerWaalsContact CD1-C 3.41Å; W26-L336 HydrophobicContact CH2-CD2 3.79Å; W26-L336 HydrophobicContact CH2-CG 4.11Å; W26-L336 HydrophobicContact CZ2-CD2 3.96Å; W26-L336 HydrophobicContact CZ2-CG 3.83Å; W26-L336 HydrophobicContact CZ3-CD2 4.4Å; W26-V338 HydrophobicContact CD2-CG1 4.46Å; W26-V338 HydrophobicContact CG-CG1 4.47Å; W26-V338 HydrophobicContact CZ2-CB 3.86Å; W26-V338 HydrophobicContact CZ2-CG1 4.3Å
27V98.3Very high97.8Very high11 Ų1122.9 Ų22.97%0.06713%0.131CC..PPolyproline II helixtrans-77.1120.3166.7176.90000107S30 K32 V34 L48 F73 R81V27-S30 WeakPolarHBondContact CB-OG 3.35Å; V27-S30 PolarHBondContact O-N 3.08Å; V27-S30 PolarHBondContact O-OG 2.77Å; V27-K32 HydrophobicContact CB-CB 4.06Å; V27-K32 WeakPolarHBondContact CB-O 3.5Å; V27-K32 HydrophobicContact CG2-CB 4.13Å; V27-K32 PolarHBondContact N-O 3.24Å; V27-V34 HydrophobicContact CG2-CG1 4.05Å; V27-L48 HydrophobicContact CG2-CD1 3.75Å; V27-F73 HydrophobicContact CB-CZ 4.46Å; V27-F73 HydrophobicContact CG2-CE2 4.09Å; V27-F73 HydrophobicContact CG2-CZ 3.79Å; V27-R81 HydrophobicContact CG1-CB 4.44Å
28P96Very high97.9Very high7 Ų723.2 Ų23.25%0.04513%0.133CC..THydrogen-bonded Turntrans-58.6140.9-172.5-26.234.4000113.9W26 S30 F73 L78 R81 L123W26-P28 WeakPolarHBondContact O-CD 3.39Å; P28-S30 VanDerWaalsContact C-N 3.35Å; P28-S30 PolarHBondContact O-N 3.37Å; P28-F73 HydrophobicContact CG-CB 3.77Å; P28-F73 HydrophobicContact CG-CG 4.12Å; P28-L78 HydrophobicContact CB-CD2 4.39Å; P28-R81 WeakPolarHBondContact O-CD 3.44Å; P28-R81 PolarHBondContact O-NE 2.89Å; P28-L123 HydrophobicContact CB-CD1 4.03Å; P28-L123 HydrophobicContact CB-CD2 3.75Å; P28-L123 HydrophobicContact CG-CD1 3.51Å; P28-L123 HydrophobicContact CG-CD2 3.71Å; P28-L123 HydrophobicContact CG-CG 4.28Å
29C95.6Very high98Very high70 Ų7018.2 Ų18.247%0.47311%0.106SC..THydrogen-bonded Turntrans56.145.7-179.3-58.90000112.7D332C29-D332 WeakPolarHBondContact CA-OD1 3.32Å; C29-D332 WeakPolarHBondContact CA-OD2 3.42Å; C29-D332 PolarHBondContact N-OD1 3.33Å; C29-D332 PolarHBondContact N-OD2 2.73Å
30S96.2Very high98Very high33 Ų3323.2 Ų23.223%0.23115%0.148CC..SBendtrans-154.9168.1-179.383.20000112.8V27 P28 K32 D332V27-S30 WeakPolarHBondContact CB-OG 3.35Å; V27-S30 PolarHBondContact O-N 3.08Å; V27-S30 PolarHBondContact O-OG 2.77Å; P28-S30 VanDerWaalsContact C-N 3.35Å; P28-S30 PolarHBondContact O-N 3.37Å; S30-K32 WeakPolarHBondContact OG-CB 3.49Å; S30-K32 PolarHBondContact OG-N 2.74Å; S30-K32 PolarHBondContact OG-O 2.7Å; S30-D332 PolarHBondContact N-OD2 2.79Å
31A96.4Very high97.9Very high41 Ų4128.6 Ų28.634%0.33916%0.163SC..SBendtrans-89.719.5167.900000112.6I51A31-I51 PolarHBondContact O-N 3Å
32K98.1Very high97.7Very high66 Ų6630.3 Ų30.329%0.28718%0.181SC..EExtended strand (participates in β ladder)trans-110.6150.9-172.4-56.2175.6-177.8174.30111.3W26 V27 S30 L48 Y49 E50 L59W26-K32 VanDerWaalsContact CE3-O 3.29Å; V27-K32 HydrophobicContact CB-CB 4.06Å; V27-K32 WeakPolarHBondContact CB-O 3.5Å; V27-K32 HydrophobicContact CG2-CB 4.13Å; V27-K32 PolarHBondContact N-O 3.24Å; S30-K32 WeakPolarHBondContact OG-CB 3.49Å; S30-K32 PolarHBondContact OG-N 2.74Å; S30-K32 PolarHBondContact OG-O 2.7Å; K32-L48 HydrophobicContact CB-CD1 4.03Å; K32-Y49 CarbonylContact C-O 3.57Å; K32-Y49 WeakPolarHBondContact CA-O 3.46Å; K32-Y49 WeakPolarHBondContact CB-O 2.88Å; K32-E50 VanDerWaalsContact CE-CD 3.46Å; K32-E50 WeakPolarHBondContact CE-OE1 3.49Å; K32-E50 HydrophobicContact CG-CB 3.87Å; K32-E50 HydrophobicContact CG-CG 3.83Å; K32-L59 HydrophobicContact CD-CD1 3.89Å; K32-L59 HydrophobicContact CG-CD1 4.38Å
33F98.6Very high97.7Very high0 Ų030 Ų300%018%0.182CC..EExtended strand (participates in β ladder)trans-141.5158.417063.1-94.1000110K25 W26 T35 Y49 L56 V338 V346 V348K25-F33 CarbonylContact O-C 3.41Å; K25-F33 VanDerWaalsContact O-CA 3.24Å; K25-F33 WeakPolarHBondContact O-CA 3.44Å; K25-F33 VanDerWaalsContact O-CB 3.27Å; K25-F33 WeakPolarHBondContact O-CB 3.45Å; W26-F33 HydrophobicContact CD2-CB 4.26Å; W26-F33 HydrophobicContact CE3-CB 3.97Å; W26-F33 HydrophobicContact CE3-CD1 4.39Å; W26-F33 HydrophobicContact CH2-CD1 4.02Å; W26-F33 HydrophobicContact CZ3-CB 4.28Å; W26-F33 AromaticContact CZ3-CD1 3.85Å; W26-F33 HydrophobicContact CZ3-CD1 3.85Å; F33-T35 HydrophobicContact CD2-CG2 4.13Å; F33-T35 HydrophobicContact CE2-CG2 3.96Å; F33-Y49 AromaticContact CE2-CD2 3.89Å; F33-Y49 HydrophobicContact CE2-CD2 3.89Å; F33-Y49 HydrophobicContact CE2-CG 4.06Å; F33-Y49 HydrophobicContact CZ-CD2 4.35Å; F33-Y49 HydrophobicContact CZ-CG 4.08Å; F33-Y49 PolarHBondContact N-O 3Å; F33-Y49 PolarHBondContact O-N 2.8Å; F33-L56 HydrophobicContact CE1-CD1 4.39Å; F33-L56 HydrophobicContact CE1-CD2 3.46Å; F33-L56 VanDerWaalsContact CE1-CD2 3.46Å; F33-L56 HydrophobicContact CZ-CD1 3.81Å; F33-L56 HydrophobicContact CZ-CD2 3.69Å; F33-L56 HydrophobicContact CZ-CG 4.33Å; F33-V338 HydrophobicContact CD1-CG2 4.4Å; F33-V338 HydrophobicContact CD2-CG2 4.03Å; F33-V338 HydrophobicContact CE1-CG2 4.46Å; F33-V338 HydrophobicContact CE2-CG2 4.12Å; F33-V338 HydrophobicContact CG-CG2 4.18Å; F33-V338 HydrophobicContact CZ-CG2 4.32Å; F33-V346 HydrophobicContact CE2-CG1 4.29Å; F33-V346 HydrophobicContact CE2-CG2 3.71Å; F33-V346 HydrophobicContact CZ-CG1 4.32Å; F33-V346 HydrophobicContact CZ-CG2 4.09Å; F33-V348 HydrophobicContact CE1-CG2 3.91Å; F33-V348 HydrophobicContact CZ-CG2 4.41Å
34V98.8Very high97.7Very high0 Ų029.5 Ų29.50%018%0.179CC..EExtended strand (participates in β ladder)trans-106.6148.2172.9-63.70000110.6C24 K25 V27 M36 I46 Q47 L48 F73 L83 L97C24-V34 CarbonylContact C-O 3.53Å; C24-V34 WeakPolarHBondContact CA-O 3.31Å; C24-V34 WeakPolarHBondContact CB-O 3.38Å; K25-V34 HydrophobicContact CB-CG2 4.06Å; K25-V34 PolarHBondContact N-O 2.91Å; K25-V34 PolarHBondContact O-N 3.19Å; V27-V34 HydrophobicContact CG2-CG1 4.05Å; V34-M36 HydrophobicContact CG2-CE 3.8Å; V34-I46 HydrophobicContact CB-CG2 4.22Å; V34-I46 HydrophobicContact CG1-CG2 4.32Å; V34-Q47 CarbonylContact C-O 3.51Å; V34-Q47 WeakPolarHBondContact CA-O 3.28Å; V34-L48 HydrophobicContact CG1-CD1 3.81Å; V34-F73 HydrophobicContact CG1-CZ 4.23Å; V34-F73 HydrophobicContact CG2-CE2 3.86Å; V34-F73 HydrophobicContact CG2-CZ 4.06Å; V34-L83 HydrophobicContact CG2-CD1 4.17Å; V34-L83 HydrophobicContact CG2-CD2 4.04Å; V34-L97 HydrophobicContact CG1-CD1 3.75Å
35T98.8Very high97.7Very high0 Ų029.5 Ų29.50%018%0.179CC..EExtended strand (participates in β ladder)trans-120148.2163.453.50000108.7F17 Y19 V21 D23 C24 F33 I46 Q47 V346F17-T35 HydrophobicContact CE2-CG2 3.95Å; F17-T35 HydrophobicContact CZ-CG2 3.77Å; Y19-T35 PolarHBondContact OH-OG1 3.16Å; V21-T35 HydrophobicContact CG2-CG2 4.34Å; D23-T35 WeakPolarHBondContact O-CA 3.48Å; C24-T35 HydrophobicContact CB-CG2 3.97Å; F33-T35 HydrophobicContact CD2-CG2 4.13Å; F33-T35 HydrophobicContact CE2-CG2 3.96Å; T35-I46 CarbonylContact O-C 3.58Å; T35-I46 VanDerWaalsContact O-CA 3.31Å; T35-I46 WeakPolarHBondContact O-CA 3.41Å; T35-Q47 PolarHBondContact N-O 3.26Å; T35-Q47 PolarHBondContact O-N 2.92Å; T35-V346 HydrophobicContact CG2-CB 4.32Å; T35-V346 HydrophobicContact CG2-CG2 4.04Å
36M98.8Very high97.7Very high0 Ų028.8 Ų28.80%018%0.176CC..EExtended strand (participates in β ladder)trans-142146.2-179.664.1-16077.500112.1F22 D23 V34 V45 I46 I68 G71 L83 T85F22-M36 PolarHBondContact N-O 2.96Å; D23-M36 HydrophobicContact CB-CG 3.83Å; D23-M36 HydrophobicContact CB-SD 4.12Å; D23-M36 PolarHBondContact N-O 2.87Å; D23-M36 PolarHBondContact O-N 3.02Å; V34-M36 HydrophobicContact CG2-CE 3.8Å; M36-V45 VanDerWaalsContact CA-O 3.25Å; M36-V45 WeakPolarHBondContact CA-O 3.27Å; M36-I46 HydrophobicContact CB-CG1 4.3Å; M36-I68 HydrophobicContact CB-CB 4.18Å; M36-I68 HydrophobicContact CB-CG2 3.78Å; M36-I68 HydrophobicContact CG-CG2 3.92Å; M36-I68 HydrophobicContact SD-CG2 3.85Å; M36-G71 PolarHBondContact SD-N 2.92Å; M36-L83 HydrophobicContact CE-CD1 4.13Å; M36-L83 HydrophobicContact CE-CD2 3.93Å; M36-T85 HydrophobicContact SD-CG2 4.28Å
37G98.6Very high97.7Very high0 Ų028.8 Ų28.80%018%0.176CC..EExtended strand (participates in β ladder)trans179-149-165.900000113.9T20 G44 V45 I68T20-G37 CarbonylContact O-C 3.55Å; T20-G37 WeakPolarHBondContact O-CA 3.4Å; G37-G44 VanDerWaalsContact O-CA 3.3Å; G37-G44 WeakPolarHBondContact O-CA 3.26Å; G37-V45 PolarHBondContact N-O 3.25Å; G37-V45 PolarHBondContact O-N 2.9Å; G37-I68 PolarHBondContact N-O 2.83Å; G37-I68 PolarHBondContact O-N 3.41Å
38N98.6Very high97.7Very high28 Ų2829 Ų2915%0.1518%0.177CC..EExtended strand (participates in β ladder)trans-149.7146.317471.4-63.3000114.3Y19 T20 F22 T43 P67Y19-N38 WeakPolarHBondContact CB-O 3.49Å; T20-N38 PolarHBondContact N-O 2.87Å; T20-N38 PolarHBondContact O-N 2.81Å; F22-N38 WeakPolarHBondContact CE2-OD1 3.42Å; F22-N38 VanDerWaalsContact CZ-OD1 3.3Å; F22-N38 WeakPolarHBondContact CZ-OD1 3.38Å; N38-T43 CarbonylContact C-O 3.58Å; N38-T43 WeakPolarHBondContact CA-O 3.45Å; N38-T43 VanDerWaalsContact CB-O 3.27Å; N38-T43 WeakPolarHBondContact CB-O 3.38Å; N38-P67 HydrophobicContact CB-CB 3.59Å; N38-P67 HydrophobicContact CB-CG 3.72Å
39F98.4Very high97.9Very high8 Ų829 Ų294%0.03518%0.176CC..  trans-71.3161.7168.2-65.5-67.9000111.4Y19 R41 G42 T43 V45 E61 E63Y19-F39 HydrophobicContact CD1-CE1 4.19Å; Y19-F39 HydrophobicContact CG-CE1 4.44Å; F39-R41 HydrophobicContact CB-CG 3.87Å; F39-R41 PolarHBondContact O-N 3.24Å; F39-R41 VanDerWaalsContact O-N 3.15Å; F39-G42 PolarHBondContact O-N 3.12Å; F39-T43 PolarHBondContact N-O 3.19Å; F39-V45 HydrophobicContact CD2-CB 4.17Å; F39-V45 HydrophobicContact CE2-CB 3.68Å; F39-V45 HydrophobicContact CE2-CG1 4.35Å; F39-V45 HydrophobicContact CE2-CG2 3.78Å; F39-V45 HydrophobicContact CZ-CB 4.06Å; F39-V45 HydrophobicContact CZ-CG1 4.48Å; F39-V45 HydrophobicContact CZ-CG2 3.78Å; F39-E61 HydrophobicContact CZ-CG 4.48Å; F39-E63 HydrophobicContact CE2-CG 4.42Å
40A96.4Very high98Very high107 Ų10727.7 Ų27.788%0.88416%0.163SC*.THydrogen-bonded Turntrans-57.8-26.9174.800000113.4G42A40-G42 PolarHBondContact O-N 2.63Å
41R95.8Very high98Very high161 Ų16128.1 Ų28.161%0.60816%0.162SC*.THydrogen-bonded Turntrans-73.6-0.3174.863.6175.9172.5-95.81.2114.4F39 T43 E63F39-R41 HydrophobicContact CB-CG 3.87Å; F39-R41 PolarHBondContact O-N 3.24Å; F39-R41 VanDerWaalsContact O-N 3.15Å; R41-T43 HydrophobicContact CG-CG2 4.47Å; R41-T43 WeakPolarHBondContact CG-OG1 3.23Å; R41-T43 PolarHBondContact NE-OG1 3.06Å; R41-E63 IonicContact CZ-OE1 3.25Å; R41-E63 VanDerWaalsContact CZ-OE1 3.25Å; R41-E63 IonicContact CZ-OE2 3.75Å; R41-E63 IonicContact NE-OE1 2.78Å; R41-E63 PolarHBondContact NE-OE1 3.47Å; R41-E63 IonicContact NE-OE2 3.97Å; R41-E63 IonicContact NH2-OE1 2.91Å; R41-E63 PolarHBondContact NH2-OE1 2.93Å; R41-E63 IonicContact NH2-OE2 2.75Å; R41-E63 PolarHBondContact NH2-OE2 2.88Å
42G96Very high97.9Very high36 Ų3629.2 Ų29.237%0.37116%0.16SC..SBendtrans85.6217500000115.6F39 A40 P67F39-G42 PolarHBondContact O-N 3.12Å; A40-G42 PolarHBondContact O-N 2.63Å; G42-P67 VanDerWaalsContact O-CD 3.24Å; G42-P67 WeakPolarHBondContact O-CD 3.35Å; G42-P67 WeakPolarHBondContact O-CG 3.49Å
43T98.3Very high97.4Very high30 Ų3035.5 Ų35.518%0.18419%0.191CC..  trans-83.6145.8171.651.80000110.9N38 F39 R41 E63 K64N38-T43 CarbonylContact C-O 3.58Å; N38-T43 WeakPolarHBondContact CA-O 3.45Å; N38-T43 VanDerWaalsContact CB-O 3.27Å; N38-T43 WeakPolarHBondContact CB-O 3.38Å; F39-T43 PolarHBondContact N-O 3.19Å; R41-T43 HydrophobicContact CG-CG2 4.47Å; R41-T43 WeakPolarHBondContact CG-OG1 3.23Å; R41-T43 PolarHBondContact NE-OG1 3.06Å; T43-E63 WeakPolarHBondContact CB-OE1 2.99Å; T43-E63 WeakPolarHBondContact CG2-OE1 3.05Å; T43-E63 PolarHBondContact OG1-OE1 3.34Å; T43-K64 CarbonylContact C-O 3.55Å; T43-K64 WeakPolarHBondContact CA-O 3.29Å; T43-K64 WeakPolarHBondContact CB-O 3.49Å
44G98.5Very high96.9Very high0 Ų037.7 Ų37.70%021%0.213CC..EExtended strand (participates in β ladder)trans-78.2158.2176.100000112.5G37 E63 K64 K66G37-G44 VanDerWaalsContact O-CA 3.3Å; G37-G44 WeakPolarHBondContact O-CA 3.26Å; G44-E63 CarbonylContact O-C 3.5Å; G44-E63 WeakPolarHBondContact O-CA 3.17Å; G44-K64 PolarHBondContact N-O 2.9Å; G44-K64 PolarHBondContact O-N 2.82Å; G44-K66 WeakPolarHBondContact CA-O 3.15Å; G44-K66 PolarHBondContact N-O 2.72Å
45V98.7Very high96.6Very high0 Ų042.1 Ų42.10%024%0.236CC..EExtended strand (participates in β ladder)trans-141.6140.7178.8630000110.8Y19 M36 G37 F39 Q47 E61 I62Y19-V45 HydrophobicContact CD1-CG1 4.26Å; Y19-V45 HydrophobicContact CD2-CG1 3.38Å; Y19-V45 HydrophobicContact CE1-CG1 4.47Å; Y19-V45 HydrophobicContact CE2-CG1 3.62Å; Y19-V45 HydrophobicContact CG-CG1 3.75Å; M36-V45 VanDerWaalsContact CA-O 3.25Å; M36-V45 WeakPolarHBondContact CA-O 3.27Å; G37-V45 PolarHBondContact N-O 3.25Å; G37-V45 PolarHBondContact O-N 2.9Å; F39-V45 HydrophobicContact CD2-CB 4.17Å; F39-V45 HydrophobicContact CE2-CB 3.68Å; F39-V45 HydrophobicContact CE2-CG1 4.35Å; F39-V45 HydrophobicContact CE2-CG2 3.78Å; F39-V45 HydrophobicContact CZ-CB 4.06Å; F39-V45 HydrophobicContact CZ-CG1 4.48Å; F39-V45 HydrophobicContact CZ-CG2 3.78Å; V45-Q47 HydrophobicContact CG2-CG 4.01Å; V45-E61 HydrophobicContact CG2-CG 3.83Å; V45-I62 CarbonylContact C-O 3.59Å; V45-I62 VanDerWaalsContact CA-O 3.31Å; V45-I62 WeakPolarHBondContact CA-O 3.25Å
46I98.8Very high96.5Very high0 Ų042.1 Ų42.10%024%0.237CC..EExtended strand (participates in β ladder)trans-118.2127.2161-55.6163000106.9V34 T35 M36 I62 I68 L83 T85 W95 L97V34-I46 HydrophobicContact CB-CG2 4.22Å; V34-I46 HydrophobicContact CG1-CG2 4.32Å; T35-I46 CarbonylContact O-C 3.58Å; T35-I46 VanDerWaalsContact O-CA 3.31Å; T35-I46 WeakPolarHBondContact O-CA 3.41Å; M36-I46 HydrophobicContact CB-CG1 4.3Å; I46-I62 HydrophobicContact CB-CB 4.24Å; I46-I62 HydrophobicContact CB-CD1 4.45Å; I46-I62 PolarHBondContact N-O 3.02Å; I46-I62 PolarHBondContact O-N 3.46Å; I46-I68 HydrophobicContact CD1-CD1 3.78Å; I46-I68 HydrophobicContact CG1-CD1 3.43Å; I46-I68 VanDerWaalsContact CG1-CD1 3.43Å; I46-L83 HydrophobicContact CD1-CD2 4.15Å; I46-L83 HydrophobicContact CG2-CD2 4.11Å; I46-T85 HydrophobicContact CD1-CG2 4.25Å; I46-W95 HydrophobicContact CD1-CG 4.48Å; I46-L97 HydrophobicContact CG2-CD2 4.4Å
47Q98.7Very high96.5Very high6 Ų647.3 Ų47.33%0.02826%0.259CS..EExtended strand (participates in β ladder)trans-113.9135.3169.9-75-179-21.400110.2Y19 V34 T35 V45 Y49 L58 R60 E61Y19-Q47 HydrophobicContact CE1-CG 4.33Å; Y19-Q47 VanDerWaalsContact CZ-OE1 3.32Å; Y19-Q47 PolarHBondContact OH-OE1 3.29Å; V34-Q47 CarbonylContact C-O 3.51Å; V34-Q47 WeakPolarHBondContact CA-O 3.28Å; T35-Q47 PolarHBondContact N-O 3.26Å; T35-Q47 PolarHBondContact O-N 2.92Å; V45-Q47 HydrophobicContact CG2-CG 4.01Å; Q47-Y49 HydrophobicContact CB-CD2 4.17Å; Q47-Y49 HydrophobicContact CB-CE2 3.56Å; Q47-Y49 HydrophobicContact CG-CE2 4.42Å; Q47-Y49 VanDerWaalsContact OE1-CE2 3.28Å; Q47-Y49 PolarHBondContact OE1-OH 3.33Å; Q47-L58 HydrophobicContact CB-CD1 3.79Å; Q47-L58 HydrophobicContact CG-CD1 3.86Å; Q47-R60 WeakPolarHBondContact CA-O 3.4Å; Q47-E61 HydrophobicContact CG-CB 4.19Å; Q47-E61 HydrophobicContact CG-CG 4.06Å; Q47-E61 PolarHBondContact NE2-OE2 2.86Å
48L98.6Very high96.4Very high16 Ų1650.6 Ų50.68%0.08428%0.276CS..EExtended strand (participates in β ladder)trans-104.6121175.2176.664.9000109.1V27 K32 V34 L59 R60V27-L48 HydrophobicContact CG2-CD1 3.75Å; K32-L48 HydrophobicContact CB-CD1 4.03Å; V34-L48 HydrophobicContact CG1-CD1 3.81Å; L48-L59 HydrophobicContact CD2-CB 4.3Å; L48-L59 HydrophobicContact CD2-CD1 4.32Å; L48-L59 HydrophobicContact CG-CB 4.26Å; L48-L59 HydrophobicContact CG-CD1 4.37Å; L48-L59 WeakPolarHBondContact O-CB 3.24Å; L48-L59 PolarHBondContact O-N 2.84Å; L48-R60 HydrophobicContact CB-CB 4.27Å; L48-R60 PolarHBondContact N-O 2.96Å; L48-R60 PolarHBondContact O-N 3.12Å
49Y98.5Very high96.4Very high6 Ų652 Ų522%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-112.2152.1178.6-76-80.4000111.7K15 F17 K32 F33 Q47 L56 K57 L58K15-Y49 HydrophobicContact CD-CD1 4.44Å; K15-Y49 HydrophobicContact CD-CE1 3.77Å; F17-Y49 AromaticContact CE1-CE2 3.49Å; F17-Y49 HydrophobicContact CE1-CE2 3.49Å; F17-Y49 VanDerWaalsContact CE1-CE2 3.49Å; F17-Y49 AromaticContact CE1-CZ 3.6Å; F17-Y49 VanDerWaalsContact CE1-OH 3.3Å; F17-Y49 WeakPolarHBondContact CE1-OH 3.1Å; F17-Y49 AromaticContact CZ-CE2 3.84Å; F17-Y49 HydrophobicContact CZ-CE2 3.84Å; K32-Y49 CarbonylContact C-O 3.57Å; K32-Y49 WeakPolarHBondContact CA-O 3.46Å; K32-Y49 WeakPolarHBondContact CB-O 2.88Å; F33-Y49 AromaticContact CE2-CD2 3.89Å; F33-Y49 HydrophobicContact CE2-CD2 3.89Å; F33-Y49 HydrophobicContact CE2-CG 4.06Å; F33-Y49 HydrophobicContact CZ-CD2 4.35Å; F33-Y49 HydrophobicContact CZ-CG 4.08Å; F33-Y49 PolarHBondContact N-O 3Å; F33-Y49 PolarHBondContact O-N 2.8Å; Q47-Y49 HydrophobicContact CB-CD2 4.17Å; Q47-Y49 HydrophobicContact CB-CE2 3.56Å; Q47-Y49 HydrophobicContact CG-CE2 4.42Å; Q47-Y49 VanDerWaalsContact OE1-CE2 3.28Å; Q47-Y49 PolarHBondContact OE1-OH 3.33Å; Y49-L56 HydrophobicContact CD1-CB 4.05Å; Y49-K57 WeakPolarHBondContact CA-O 3.38Å; Y49-K57 WeakPolarHBondContact CD1-O 3.15Å; Y49-L58 HydrophobicContact CD1-CB 4.2Å; Y49-L58 HydrophobicContact CD1-CD1 4.44Å; Y49-L58 HydrophobicContact CE1-CB 3.59Å; Y49-L58 HydrophobicContact CE1-CD1 3.87Å; Y49-L58 HydrophobicContact CE1-CG 4.3Å; Y49-L58 HydrophobicContact CE2-CD1 4.02Å
50E97.9Very high96.3Very high43 Ų4356.4 Ų56.420%0.20130%0.3CS..EExtended strand (participates in β ladder)trans-127.4137.1168.3-171.8165.2-13500110.2K32 Q52 K57 L59K32-E50 VanDerWaalsContact CE-CD 3.46Å; K32-E50 WeakPolarHBondContact CE-OE1 3.49Å; K32-E50 HydrophobicContact CG-CB 3.87Å; K32-E50 HydrophobicContact CG-CG 3.83Å; E50-Q52 HydrophobicContact CB-CG 4.32Å; E50-Q52 HydrophobicContact CG-CG 3.92Å; E50-Q52 PolarHBondContact O-N 2.92Å; E50-Q52 PolarHBondContact OE2-NE2 3.15Å; E50-K57 PolarHBondContact N-O 2.91Å; E50-K57 PolarHBondContact O-N 3.23Å; E50-L59 HydrophobicContact CB-CD1 3.75Å; E50-L59 HydrophobicContact CB-CD2 4.27Å; E50-L59 HydrophobicContact CB-CG 4.01Å
51I96.8Very high96.4Very high42 Ų4255.8 Ų55.822%0.21528%0.279CS..EExtended strand (participates in β ladder)trans-76116.2170.8-61.4165.2000108.6I13 W26 A31 D55 L56 V348I13-I51 HydrophobicContact CD1-CG1 4.46Å; I13-I51 HydrophobicContact CD1-CG2 3.8Å; W26-I51 HydrophobicContact CH2-CD1 3.57Å; W26-I51 HydrophobicContact CZ3-CD1 3.98Å; A31-I51 PolarHBondContact O-N 3Å; I51-D55 WeakPolarHBondContact CA-O 3.14Å; I51-L56 HydrophobicContact CG1-CD2 3.69Å; I51-V348 HydrophobicContact CD1-CG1 4Å; I51-V348 HydrophobicContact CD1-CG2 4.15Å; I51-V348 HydrophobicContact CG1-CG2 4.43Å
52Q93.7Very high96.5Very high64 Ų6448.6 Ų48.630%0.29925%0.252SS..EExtended strand (participates in β ladder)trans-133.5128.2176.7-61.5-168.6-1.600109.7E50 G54 D55 K57E50-Q52 HydrophobicContact CB-CG 4.32Å; E50-Q52 HydrophobicContact CG-CG 3.92Å; E50-Q52 PolarHBondContact O-N 2.92Å; E50-Q52 PolarHBondContact OE2-NE2 3.15Å; Q52-G54 PolarHBondContact O-N 2.82Å; Q52-D55 PolarHBondContact N-O 3.02Å; Q52-D55 PolarHBondContact O-N 2.9Å; Q52-K57 HydrophobicContact CG-CB 4.41Å; Q52-K57 VanDerWaalsContact OE1-CD 3.26Å
53H88.4Confident96.6Very high199 Ų19950.9 Ų50.992%0.92125%0.253SS*.THydrogen-bonded Turntrans50.433.5174.5-55.2-71.8000115.5
54G87.3Confident96.6Very high45 Ų4551.3 Ų51.346%0.46425%0.252SS..THydrogen-bonded Turntrans82.19.8-179.200000115I13 Q52I13-G54 WeakPolarHBondContact CD1-O 3.28Å; I13-G54 WeakPolarHBondContact CG1-O 3.48Å; Q52-G54 PolarHBondContact O-N 2.82Å
55D93.5Very high96.5Very high93 Ų9355.4 Ų55.450%0.49729%0.286SS..EExtended strand (participates in β ladder)trans-128.8172.7174.9-165.913.1000111.5I51 Q52I51-D55 WeakPolarHBondContact CA-O 3.14Å; Q52-D55 PolarHBondContact N-O 3.02Å; Q52-D55 PolarHBondContact O-N 2.9Å
56L96.8Very high96.5Very high1 Ų160.9 Ų60.91%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-105.7104.2178.9-66.4178.4000111.3I13 K15 F33 Y49 I51 V346 V348I13-L56 HydrophobicContact CB-CG 4.46Å; I13-L56 HydrophobicContact CG2-CD1 4.1Å; I13-L56 HydrophobicContact CG2-CG 3.74Å; K15-L56 HydrophobicContact CB-CD1 3.74Å; K15-L56 HydrophobicContact CD-CB 3.8Å; K15-L56 HydrophobicContact CD-CD1 4.4Å; K15-L56 PolarHBondContact NZ-O 3.2Å; F33-L56 HydrophobicContact CE1-CD1 4.39Å; F33-L56 HydrophobicContact CE1-CD2 3.46Å; F33-L56 VanDerWaalsContact CE1-CD2 3.46Å; F33-L56 HydrophobicContact CZ-CD1 3.81Å; F33-L56 HydrophobicContact CZ-CD2 3.69Å; F33-L56 HydrophobicContact CZ-CG 4.33Å; Y49-L56 HydrophobicContact CD1-CB 4.05Å; I51-L56 HydrophobicContact CG1-CD2 3.69Å; L56-V346 HydrophobicContact CD1-CG1 3.93Å; L56-V348 HydrophobicContact CD1-CG2 4.44Å; L56-V348 HydrophobicContact CD2-CG2 4Å
57K97.5Very high96.5Very high109 Ų10961.6 Ų61.647%0.47432%0.315SS..EExtended strand (participates in β ladder)trans-82.3122.8173.2-172.9178.2179.3178.70110.2Y49 E50 Q52 L59Y49-K57 WeakPolarHBondContact CA-O 3.38Å; Y49-K57 WeakPolarHBondContact CD1-O 3.15Å; E50-K57 PolarHBondContact N-O 2.91Å; E50-K57 PolarHBondContact O-N 3.23Å; Q52-K57 HydrophobicContact CG-CB 4.41Å; Q52-K57 VanDerWaalsContact OE1-CD 3.26Å; K57-L59 HydrophobicContact CD-CD2 3.93Å; K57-L59 HydrophobicContact CG-CD2 4.04Å; K57-L59 PolarHBondContact O-N 3.32Å
58L97.8Very high96.5Very high68 Ų6861.4 Ų61.436%0.35631%0.314SS..EExtended strand (participates in β ladder)trans-71.7119.6168.6178.862.6000108.1Q47 Y49 R60Q47-L58 HydrophobicContact CB-CD1 3.79Å; Q47-L58 HydrophobicContact CG-CD1 3.86Å; Y49-L58 HydrophobicContact CD1-CB 4.2Å; Y49-L58 HydrophobicContact CD1-CD1 4.44Å; Y49-L58 HydrophobicContact CE1-CB 3.59Å; Y49-L58 HydrophobicContact CE1-CD1 3.87Å; Y49-L58 HydrophobicContact CE1-CG 4.3Å; Y49-L58 HydrophobicContact CE2-CD1 4.02Å; L58-R60 VanDerWaalsContact CD1-O 3.24Å; L58-R60 WeakPolarHBondContact CD1-O 3.22Å
59L97.7Very high96.5Very high57 Ų5763.2 Ų63.230%0.29832%0.321SS..EExtended strand (participates in β ladder)trans-94.3-41.2177.8-61.3-172.3000111.9K32 L48 E50 K57K32-L59 HydrophobicContact CD-CD1 3.89Å; K32-L59 HydrophobicContact CG-CD1 4.38Å; L48-L59 HydrophobicContact CD2-CB 4.3Å; L48-L59 HydrophobicContact CD2-CD1 4.32Å; L48-L59 HydrophobicContact CG-CB 4.26Å; L48-L59 HydrophobicContact CG-CD1 4.37Å; L48-L59 WeakPolarHBondContact O-CB 3.24Å; L48-L59 PolarHBondContact O-N 2.84Å; E50-L59 HydrophobicContact CB-CD1 3.75Å; E50-L59 HydrophobicContact CB-CD2 4.27Å; E50-L59 HydrophobicContact CB-CG 4.01Å; K57-L59 HydrophobicContact CD-CD2 3.93Å; K57-L59 HydrophobicContact CG-CD2 4.04Å; K57-L59 PolarHBondContact O-N 3.32Å
60R97.4Very high96.5Very high102 Ų10263.2 Ų63.239%0.38532%0.322SS..EExtended strand (participates in β ladder)trans-148.4145.8-179.8-67.9-172.8-178-122.510110.9Q47 L48 L58 L97 E98Q47-R60 WeakPolarHBondContact CA-O 3.4Å; L48-R60 HydrophobicContact CB-CB 4.27Å; L48-R60 PolarHBondContact N-O 2.96Å; L48-R60 PolarHBondContact O-N 3.12Å; L58-R60 VanDerWaalsContact CD1-O 3.24Å; L58-R60 WeakPolarHBondContact CD1-O 3.22Å; R60-L97 VanDerWaalsContact CD-O 3.25Å; R60-L97 WeakPolarHBondContact CD-O 3.34Å; R60-E98 VanDerWaalsContact CZ-O 3.31Å; R60-E98 PolarHBondContact NH1-O 3.35Å; R60-E98 PolarHBondContact NH2-O 3.29Å
61E98Very high96.6Very high93 Ų9361.2 Ų61.244%0.43531%0.313SS..EExtended strand (participates in β ladder)trans-122.3128.3166.3179172.3106.100107.8F39 V45 Q47F39-E61 HydrophobicContact CZ-CG 4.48Å; V45-E61 HydrophobicContact CG2-CG 3.83Å; Q47-E61 HydrophobicContact CG-CB 4.19Å; Q47-E61 HydrophobicContact CG-CG 4.06Å; Q47-E61 PolarHBondContact NE2-OE2 2.86Å
62I98.3Very high96.7Very high10 Ų1059.8 Ų59.85%0.05131%0.306CS..EExtended strand (participates in β ladder)trans-124.8105.5-173.6-56.9164.7000107.2V45 I46 K64 L97 P100V45-I62 CarbonylContact C-O 3.59Å; V45-I62 VanDerWaalsContact CA-O 3.31Å; V45-I62 WeakPolarHBondContact CA-O 3.25Å; I46-I62 HydrophobicContact CB-CB 4.24Å; I46-I62 HydrophobicContact CB-CD1 4.45Å; I46-I62 PolarHBondContact N-O 3.02Å; I46-I62 PolarHBondContact O-N 3.46Å; I62-K64 HydrophobicContact CG2-CD 4.5Å; I62-L97 HydrophobicContact CD1-CD2 4.11Å; I62-P100 HydrophobicContact CD1-CB 3.56Å; I62-P100 HydrophobicContact CD1-CG 3.81Å; I62-P100 HydrophobicContact CG1-CB 3.95Å; I62-P100 HydrophobicContact CG1-CG 3.81Å; I62-P100 HydrophobicContact CG2-CB 3.78Å; I62-P100 HydrophobicContact CG2-CG 4.19Å
63E98.1Very high96.9Very high84 Ų8457.1 Ų57.139%0.39329%0.293SS..EExtended strand (participates in β ladder)trans-84.8140.9175.7-172.1166-172.100111.3F39 R41 T43 G44F39-E63 HydrophobicContact CE2-CG 4.42Å; R41-E63 IonicContact CZ-OE1 3.25Å; R41-E63 VanDerWaalsContact CZ-OE1 3.25Å; R41-E63 IonicContact CZ-OE2 3.75Å; R41-E63 IonicContact NE-OE1 2.78Å; R41-E63 PolarHBondContact NE-OE1 3.47Å; R41-E63 IonicContact NE-OE2 3.97Å; R41-E63 IonicContact NH2-OE1 2.91Å; R41-E63 PolarHBondContact NH2-OE1 2.93Å; R41-E63 IonicContact NH2-OE2 2.75Å; R41-E63 PolarHBondContact NH2-OE2 2.88Å; T43-E63 WeakPolarHBondContact CB-OE1 2.99Å; T43-E63 WeakPolarHBondContact CG2-OE1 3.05Å; T43-E63 PolarHBondContact OG1-OE1 3.34Å; G44-E63 CarbonylContact O-C 3.5Å; G44-E63 WeakPolarHBondContact O-CA 3.17Å
64K97.8Very high97.3Very high39 Ų3948.2 Ų48.217%0.1726%0.256CS..EExtended strand (participates in β ladder)trans-132.6157.6179.2-65.5-61.8175.2-163.50111.3T43 G44 I62 K66 I68 W95 P100T43-K64 CarbonylContact C-O 3.55Å; T43-K64 WeakPolarHBondContact CA-O 3.29Å; T43-K64 WeakPolarHBondContact CB-O 3.49Å; G44-K64 PolarHBondContact N-O 2.9Å; G44-K64 PolarHBondContact O-N 2.82Å; I62-K64 HydrophobicContact CG2-CD 4.5Å; K64-K66 PolarHBondContact O-N 2.86Å; K64-I68 HydrophobicContact CB-CD1 4.27Å; K64-I68 HydrophobicContact CG-CD1 4.1Å; K64-W95 HydrophobicContact CD-CH2 3.78Å; K64-W95 HydrophobicContact CD-CZ2 4.02Å; K64-W95 HydrophobicContact CD-CZ3 4.33Å; K64-W95 VanDerWaalsContact CE-CZ3 3.41Å; K64-W95 HydrophobicContact CG-CZ2 4.46Å; K64-W95 VanDerWaalsContact NZ-CZ3 3.26Å; K64-P100 PolarHBondContact NZ-O 3.03Å
65A96.7Very high97.9Very high86 Ų8646.8 Ų46.871%0.71124%0.239SC*.SBendtrans-62.2-29.4-174.500000113.7
66K98.1Very high98.1Very high115 Ų11542.8 Ų42.850%0.522%0.219SC..SBendtrans-126.3147.1-177.7-64.9-63.8-176.3-179.10111.6G44 K64 D87G44-K66 WeakPolarHBondContact CA-O 3.15Å; G44-K66 PolarHBondContact N-O 2.72Å; K64-K66 PolarHBondContact O-N 2.86Å; K66-D87 HydrophobicContact CB-CB 4.45Å
67P98.7Very high98Very high15 Ų1544.9 Ų44.910%0.09723%0.233CC..  trans-51.5139.3173-31.440.8000112.8N38 G42 D87 F88N38-P67 HydrophobicContact CB-CB 3.59Å; N38-P67 HydrophobicContact CB-CG 3.72Å; G42-P67 VanDerWaalsContact O-CD 3.24Å; G42-P67 WeakPolarHBondContact O-CD 3.35Å; G42-P67 WeakPolarHBondContact O-CG 3.49Å; P67-D87 WeakPolarHBondContact O-CA 3.31Å; P67-D87 WeakPolarHBondContact O-CB 3.45Å; P67-F88 HydrophobicContact CB-CB 4.04Å; P67-F88 HydrophobicContact CB-CD1 3.99Å; P67-F88 HydrophobicContact CB-CD2 3.5Å; P67-F88 VanDerWaalsContact CB-CD2 3.5Å; P67-F88 HydrophobicContact CB-CE1 4.3Å; P67-F88 HydrophobicContact CB-CE2 3.82Å; P67-F88 HydrophobicContact CB-CG 3.58Å; P67-F88 HydrophobicContact CB-CZ 4.22Å; P67-F88 HydrophobicContact CG-CB 4.39Å; P67-F88 HydrophobicContact CG-CD1 4.32Å; P67-F88 HydrophobicContact CG-CG 4.21Å; P67-F88 VanDerWaalsContact O-CD2 3.31Å; P67-F88 WeakPolarHBondContact O-CD2 3.17Å; P67-F88 PolarHBondContact O-N 2.79Å
68I98.8Very high97.7Very high3 Ų343.4 Ų43.42%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-105.6120.1-178.1-60.8165.5000109.2F22 M36 G37 I46 K64 T85F22-I68 WeakPolarHBondContact CD2-O 3.35Å; M36-I68 HydrophobicContact CB-CB 4.18Å; M36-I68 HydrophobicContact CB-CG2 3.78Å; M36-I68 HydrophobicContact CG-CG2 3.92Å; M36-I68 HydrophobicContact SD-CG2 3.85Å; G37-I68 PolarHBondContact N-O 2.83Å; G37-I68 PolarHBondContact O-N 3.41Å; I46-I68 HydrophobicContact CD1-CD1 3.78Å; I46-I68 HydrophobicContact CG1-CD1 3.43Å; I46-I68 VanDerWaalsContact CG1-CD1 3.43Å; K64-I68 HydrophobicContact CB-CD1 4.27Å; K64-I68 HydrophobicContact CG-CD1 4.1Å; I68-T85 HydrophobicContact CG2-CG2 3.96Å
69K98.8Very high97.4Very high54 Ų5448.6 Ų48.624%0.23525%0.253CS..EExtended strand (participates in β ladder)trans-90.8-38-168.5177.655.5-173.160.30113.6F22 G86 F88 I113 I114 N115F22-K69 HydrophobicContact CB-CD 4.2Å; F22-K69 VanDerWaalsContact CB-O 3.32Å; F22-K69 WeakPolarHBondContact CB-O 3.28Å; F22-K69 HydrophobicContact CG-CD 4.21Å; K69-G86 PolarHBondContact N-O 3.09Å; K69-F88 HydrophobicContact CB-CD2 3.87Å; K69-F88 HydrophobicContact CB-CE2 3.67Å; K69-F88 HydrophobicContact CD-CE2 3.98Å; K69-F88 HydrophobicContact CD-CZ 4.43Å; K69-F88 HydrophobicContact CG-CE2 4.27Å; K69-I113 HydrophobicContact CB-CD1 4.14Å; K69-I113 HydrophobicContact CB-CG1 4.28Å; K69-I113 HydrophobicContact CD-CD1 4.11Å; K69-I113 HydrophobicContact CG-CD1 3.92Å; K69-I113 HydrophobicContact CG-CG1 4.21Å; K69-I114 WeakPolarHBondContact CB-O 3.44Å; K69-I114 WeakPolarHBondContact CG-O 3.26Å; K69-N115 PolarHBondContact NZ-O 2.87Å
70C98.8Very high97.2Very high6 Ų650.4 Ų50.44%0.04126%0.259CS..EExtended strand (participates in β ladder)trans-158.6158.9-171.656.60000111.1T85 G86 I117C70-T85 VanDerWaalsContact O-CA 3.3Å; C70-T85 WeakPolarHBondContact O-CA 3.38Å; C70-G86 PolarHBondContact N-O 3.32Å; C70-G86 PolarHBondContact O-N 3.44Å; C70-I117 HydrophobicContact CB-CG2 3.77Å; C70-I117 VanDerWaalsContact SG-CG2 3.56Å
71G98.8Very high97.2Very high1 Ų149.8 Ų49.81%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-155.9162.7177.700000114.6D23 K25 M36 A84D23-G71 PolarHBondContact OD2-N 2.89Å; K25-G71 VanDerWaalsContact CE-O 3.27Å; K25-G71 WeakPolarHBondContact CE-O 3.34Å; K25-G71 WeakPolarHBondContact CG-O 3.3Å; M36-G71 PolarHBondContact SD-N 2.92Å; G71-A84 CarbonylContact C-O 3.55Å; G71-A84 WeakPolarHBondContact CA-O 3.38Å
72T98.9Very high97.2Very high11 Ų1147.7 Ų47.77%0.06725%0.245CC..EExtended strand (participates in β ladder)trans-150.3147.1-179.6-172.90000112.2G74 A84 I117T72-G74 PolarHBondContact OG1-N 2.89Å; T72-A84 HydrophobicContact CG2-CB 3.97Å; T72-A84 PolarHBondContact N-O 3.27Å; T72-A84 PolarHBondContact O-N 3.08Å; T72-I117 HydrophobicContact CG2-CD1 4.14Å; T72-I117 HydrophobicContact CG2-CG1 3.93Å; T72-I117 HydrophobicContact CG2-CG2 4.28Å
73F98.6Very high97.2Very high8 Ų847.2 Ų47.24%0.03524%0.243CC..  trans-102.33.8166.7-66.5-76.3000112.1K25 W26 V27 P28 V34 A75 T76 R81 Y82 L83 L97 L123K25-F73 HydrophobicContact CB-CD2 4.03Å; K25-F73 HydrophobicContact CB-CE2 3.97Å; W26-F73 WeakPolarHBondContact O-CD2 3.43Å; W26-F73 WeakPolarHBondContact O-CE2 3.45Å; V27-F73 HydrophobicContact CB-CZ 4.46Å; V27-F73 HydrophobicContact CG2-CE2 4.09Å; V27-F73 HydrophobicContact CG2-CZ 3.79Å; P28-F73 HydrophobicContact CG-CB 3.77Å; P28-F73 HydrophobicContact CG-CG 4.12Å; V34-F73 HydrophobicContact CG1-CZ 4.23Å; V34-F73 HydrophobicContact CG2-CE2 3.86Å; V34-F73 HydrophobicContact CG2-CZ 4.06Å; F73-A75 PolarHBondContact O-N 3.13Å; F73-T76 HydrophobicContact CB-CG2 3.84Å; F73-T76 HydrophobicContact CD1-CG2 3.95Å; F73-T76 HydrophobicContact CG-CG2 4.41Å; F73-T76 WeakPolarHBondContact O-CG2 3.39Å; F73-T76 PolarHBondContact O-N 3.01Å; F73-T76 VanDerWaalsContact O-N 3.16Å; F73-R81 VanDerWaalsContact CE1-O 3.3Å; F73-R81 WeakPolarHBondContact CE1-O 3.34Å; F73-Y82 VanDerWaalsContact CD1-O 3.29Å; F73-Y82 WeakPolarHBondContact CD1-O 3.25Å; F73-L83 HydrophobicContact CD1-CB 4.4Å; F73-L83 HydrophobicContact CD1-CD1 4.4Å; F73-L83 HydrophobicContact CD2-CD1 4.22Å; F73-L83 HydrophobicContact CE1-CB 3.7Å; F73-L83 HydrophobicContact CE1-CD1 4.03Å; F73-L83 HydrophobicContact CE1-CG 4.45Å; F73-L83 HydrophobicContact CE2-CD1 3.85Å; F73-L83 HydrophobicContact CG-CD1 4.48Å; F73-L83 HydrophobicContact CZ-CB 3.98Å; F73-L83 HydrophobicContact CZ-CD1 3.73Å; F73-L83 HydrophobicContact CZ-CG 4.34Å; F73-L97 HydrophobicContact CE1-CD1 4.2Å; F73-L97 HydrophobicContact CZ-CD1 4.05Å; F73-L123 HydrophobicContact CB-CD1 4.37Å; F73-L123 WeakPolarHBondContact O-CD1 3.29Å
74G97.9Very high97.3Very high13 Ų1343.4 Ų43.413%0.13423%0.226CC..THydrogen-bonded Turntrans-64-17.2-170.100000115.5T72 G119 V120 G122T72-G74 PolarHBondContact OG1-N 2.89Å; G74-G119 CarbonylContact O-C 3.16Å; G74-V120 CarbonylContact O-C 3.45Å; G74-V120 WeakPolarHBondContact O-CA 3.36Å; G74-V120 PolarHBondContact O-N 2.84Å; G74-G122 VanDerWaalsContact O-CA 3.25Å; G74-G122 WeakPolarHBondContact O-CA 3.35Å; G74-G122 PolarHBondContact O-N 3.07Å
75A97.9Very high97.3Very high14 Ų1441.6 Ų41.612%0.11622%0.218CC..THydrogen-bonded Turntrans-108.3-0.1179.800000113.9F73 P130 E131 I132F73-A75 PolarHBondContact O-N 3.13Å; A75-P130 HydrophobicContact CB-CB 4.18Å; A75-P130 VanDerWaalsContact O-CB 3.22Å; A75-P130 WeakPolarHBondContact O-CB 3.13Å; A75-E131 WeakPolarHBondContact CB-O 3.4Å; A75-I132 HydrophobicContact CB-CD1 4.23Å; A75-I132 HydrophobicContact CB-CG1 3.53Å
76T97.9Very high97.4Very high10 Ų1037.5 Ų37.56%0.06118%0.184CC..SBendtrans-89.9155.4179.61780000112F73 R81 Y82 G122 L123F73-T76 HydrophobicContact CB-CG2 3.84Å; F73-T76 HydrophobicContact CD1-CG2 3.95Å; F73-T76 HydrophobicContact CG-CG2 4.41Å; F73-T76 WeakPolarHBondContact O-CG2 3.39Å; F73-T76 PolarHBondContact O-N 3.01Å; F73-T76 VanDerWaalsContact O-N 3.16Å; T76-R81 WeakPolarHBondContact OG1-CA 3.46Å; T76-R81 PolarHBondContact OG1-N 2.94Å; T76-R81 VanDerWaalsContact OG1-N 3.14Å; T76-Y82 WeakPolarHBondContact CB-O 3.37Å; T76-Y82 VanDerWaalsContact CG2-O 3.29Å; T76-Y82 WeakPolarHBondContact CG2-O 3.34Å; T76-Y82 PolarHBondContact OG1-N 2.94Å; T76-G122 CarbonylContact O-C 3.6Å; T76-G122 WeakPolarHBondContact O-CA 3.29Å; T76-L123 HydrophobicContact CG2-CD2 4.18Å; T76-L123 WeakPolarHBondContact O-CD2 3.28Å; T76-L123 WeakPolarHBondContact O-CG 3.44Å; T76-L123 PolarHBondContact O-N 3.18Å
77S95.5Very high97.5Very high44 Ų4432.3 Ų32.331%0.30816%0.162SC..  trans-73.1159.516569.60000111.9Q79 Q80 R81S77-Q79 PolarHBondContact O-N 2.61Å; S77-Q80 PolarHBondContact O-N 2.89Å; S77-Q80 WeakPolarHBondContact OG-CB 3.29Å; S77-Q80 WeakPolarHBondContact OG-CG 3.3Å; S77-Q80 PolarHBondContact OG-N 3.08Å; S77-Q80 PolarHBondContact OG-OE1 3.49Å; S77-R81 PolarHBondContact O-N 2.8Å
78L90.2Very high97.5Very high79 Ų7935.2 Ų35.241%0.41417%0.173SC..THydrogen-bonded Turntrans-65.3-25.7174.2-71.8173000113.3P28 R81 L123P28-L78 HydrophobicContact CB-CD2 4.39Å; L78-R81 WeakPolarHBondContact O-CG 3.44Å; L78-R81 PolarHBondContact O-NE 2.94Å; L78-R81 PolarHBondContact O-NH1 3.42Å; L78-R81 PolarHBondContact O-NH2 3.24Å; L78-L123 HydrophobicContact CD2-CD2 3.71Å; L78-L123 HydrophobicContact CG-CD2 4.26Å
79Q91.9Very high97.4Very high177 Ų17735.8 Ų35.883%0.82718%0.179SC*.THydrogen-bonded Turntrans-75.5-45.4178.1-171.8179.11700111.1S77S77-Q79 PolarHBondContact O-N 2.61Å
80Q94.6Very high97.4Very high94 Ų9433.2 Ų33.244%0.43917%0.168SC..THydrogen-bonded Turntrans-82.5-41.3-173.8-70.9168.5-39.300113.1S77 Y82S77-Q80 PolarHBondContact O-N 2.89Å; S77-Q80 WeakPolarHBondContact OG-CB 3.29Å; S77-Q80 WeakPolarHBondContact OG-CG 3.3Å; S77-Q80 PolarHBondContact OG-N 3.08Å; S77-Q80 PolarHBondContact OG-OE1 3.49Å; Q80-Y82 HydrophobicContact CB-CD1 3.88Å; Q80-Y82 HydrophobicContact CB-CD2 3.89Å; Q80-Y82 HydrophobicContact CB-CE1 3.77Å; Q80-Y82 HydrophobicContact CB-CE2 3.78Å; Q80-Y82 HydrophobicContact CB-CG 3.94Å; Q80-Y82 HydrophobicContact CG-CD2 4.35Å; Q80-Y82 HydrophobicContact CG-CE1 4.27Å; Q80-Y82 HydrophobicContact CG-CE2 3.8Å; Q80-Y82 WeakPolarHBondContact O-CD1 3.45Å; Q80-Y82 WeakPolarHBondContact O-CE1 3.31Å; Q80-Y82 PolarHBondContact O-N 2.73Å
81R96.6Very high97.4Very high90 Ų9034.5 Ų34.534%0.3418%0.175SC..  trans47.942.8-175.2-55.4-174.2-175.986.3-0.2113.4V27 P28 F73 T76 S77 L78V27-R81 HydrophobicContact CG1-CB 4.44Å; P28-R81 WeakPolarHBondContact O-CD 3.44Å; P28-R81 PolarHBondContact O-NE 2.89Å; F73-R81 VanDerWaalsContact CE1-O 3.3Å; F73-R81 WeakPolarHBondContact CE1-O 3.34Å; T76-R81 WeakPolarHBondContact OG1-CA 3.46Å; T76-R81 PolarHBondContact OG1-N 2.94Å; T76-R81 VanDerWaalsContact OG1-N 3.14Å; S77-R81 PolarHBondContact O-N 2.8Å; L78-R81 WeakPolarHBondContact O-CG 3.44Å; L78-R81 PolarHBondContact O-NE 2.94Å; L78-R81 PolarHBondContact O-NH1 3.42Å; L78-R81 PolarHBondContact O-NH2 3.24Å
82Y98.5Very high97.4Very high48 Ų4834.4 Ų34.419%0.18817%0.174CC..PPolyproline II helixtrans-75139.2179.3-62-21.2000111.8F73 T76 Q80 I94 W95 N96 V104F73-Y82 VanDerWaalsContact CD1-O 3.29Å; F73-Y82 WeakPolarHBondContact CD1-O 3.25Å; T76-Y82 WeakPolarHBondContact CB-O 3.37Å; T76-Y82 VanDerWaalsContact CG2-O 3.29Å; T76-Y82 WeakPolarHBondContact CG2-O 3.34Å; T76-Y82 PolarHBondContact OG1-N 2.94Å; Q80-Y82 HydrophobicContact CB-CD1 3.88Å; Q80-Y82 HydrophobicContact CB-CD2 3.89Å; Q80-Y82 HydrophobicContact CB-CE1 3.77Å; Q80-Y82 HydrophobicContact CB-CE2 3.78Å; Q80-Y82 HydrophobicContact CB-CG 3.94Å; Q80-Y82 HydrophobicContact CG-CD2 4.35Å; Q80-Y82 HydrophobicContact CG-CE1 4.27Å; Q80-Y82 HydrophobicContact CG-CE2 3.8Å; Q80-Y82 WeakPolarHBondContact O-CD1 3.45Å; Q80-Y82 WeakPolarHBondContact O-CE1 3.31Å; Q80-Y82 PolarHBondContact O-N 2.73Å; Y82-I94 HydrophobicContact CD2-CG2 4.21Å; Y82-I94 HydrophobicContact CG-CG2 4.28Å; Y82-W95 VanDerWaalsContact CA-O 3.23Å; Y82-W95 WeakPolarHBondContact CA-O 3.5Å; Y82-W95 WeakPolarHBondContact CB-O 3.29Å; Y82-N96 HydrophobicContact CD1-CB 3.88Å; Y82-N96 HydrophobicContact CE1-CB 3.51Å; Y82-V104 HydrophobicContact CD2-CB 4.44Å; Y82-V104 HydrophobicContact CD2-CG1 4.22Å; Y82-V104 HydrophobicContact CD2-CG2 4.08Å; Y82-V104 HydrophobicContact CE2-CB 4.42Å; Y82-V104 HydrophobicContact CE2-CG1 3.95Å; Y82-V104 HydrophobicContact CE2-CG2 3.86Å
83L98.8Very high97.4Very high0 Ų035.2 Ų35.20%018%0.177CC..EExtended strand (participates in β ladder)trans-93.2116.5178.5179.166.7000109.5V34 M36 I46 F73 T85 I94 W95 L97V34-L83 HydrophobicContact CG2-CD1 4.17Å; V34-L83 HydrophobicContact CG2-CD2 4.04Å; M36-L83 HydrophobicContact CE-CD1 4.13Å; M36-L83 HydrophobicContact CE-CD2 3.93Å; I46-L83 HydrophobicContact CD1-CD2 4.15Å; I46-L83 HydrophobicContact CG2-CD2 4.11Å; F73-L83 HydrophobicContact CD1-CB 4.4Å; F73-L83 HydrophobicContact CD1-CD1 4.4Å; F73-L83 HydrophobicContact CD2-CD1 4.22Å; F73-L83 HydrophobicContact CE1-CB 3.7Å; F73-L83 HydrophobicContact CE1-CD1 4.03Å; F73-L83 HydrophobicContact CE1-CG 4.45Å; F73-L83 HydrophobicContact CE2-CD1 3.85Å; F73-L83 HydrophobicContact CG-CD1 4.48Å; F73-L83 HydrophobicContact CZ-CB 3.98Å; F73-L83 HydrophobicContact CZ-CD1 3.73Å; F73-L83 HydrophobicContact CZ-CG 4.34Å; L83-T85 HydrophobicContact CD2-CG2 3.69Å; L83-T85 HydrophobicContact CG-CG2 3.73Å; L83-I94 WeakPolarHBondContact O-CA 3.41Å; L83-W95 PolarHBondContact N-O 2.88Å; L83-W95 PolarHBondContact O-N 3.09Å; L83-L97 HydrophobicContact CB-CD1 4.47Å; L83-L97 HydrophobicContact CB-CD2 4.16Å; L83-L97 HydrophobicContact CB-CG 4.41Å; L83-L97 HydrophobicContact CD2-CD2 4.29Å
84A98.9Very high97.4Very high4 Ų435.5 Ų35.53%0.03318%0.179CC..EExtended strand (participates in β ladder)trans-80.6136.4165.200000109.7G71 T72 L92 H93 I94 I117 I132G71-A84 CarbonylContact C-O 3.55Å; G71-A84 WeakPolarHBondContact CA-O 3.38Å; T72-A84 HydrophobicContact CG2-CB 3.97Å; T72-A84 PolarHBondContact N-O 3.27Å; T72-A84 PolarHBondContact O-N 3.08Å; A84-L92 HydrophobicContact CB-CD1 4.48Å; A84-H93 CarbonylContact C-O 3.51Å; A84-H93 VanDerWaalsContact CA-O 3.29Å; A84-H93 WeakPolarHBondContact CA-O 3.33Å; A84-I94 HydrophobicContact CB-CG1 4.17Å; A84-I117 HydrophobicContact CB-CD1 4.03Å; A84-I132 HydrophobicContact CB-CD1 3.6Å; A84-I132 HydrophobicContact CB-CG1 4.31Å
85T98.9Very high97.5Very high1 Ų135.3 Ų35.31%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-136.3141.6-178.358.70000111.8M36 I46 I68 C70 L83 L92 H93 W95M36-T85 HydrophobicContact SD-CG2 4.28Å; I46-T85 HydrophobicContact CD1-CG2 4.25Å; I68-T85 HydrophobicContact CG2-CG2 3.96Å; C70-T85 VanDerWaalsContact O-CA 3.3Å; C70-T85 WeakPolarHBondContact O-CA 3.38Å; L83-T85 HydrophobicContact CD2-CG2 3.69Å; L83-T85 HydrophobicContact CG-CG2 3.73Å; T85-L92 WeakPolarHBondContact O-CA 3.16Å; T85-H93 PolarHBondContact N-O 3.28Å; T85-H93 PolarHBondContact O-N 2.7Å; T85-H93 PolarHBondContact OG1-O 2.94Å; T85-W95 PolarHBondContact OG1-NE1 3.46Å
86G98.9Very high97.4Very high0 Ų036.3 Ų36.30%018%0.177CC..EExtended strand (participates in β ladder)trans-104.6132.7165.500000111K69 C70K69-G86 PolarHBondContact N-O 3.09Å; C70-G86 PolarHBondContact N-O 3.32Å; C70-G86 PolarHBondContact O-N 3.44Å
87D98.8Very high97.4Very high7 Ų736.4 Ų36.44%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-107.3174-178.685.11.9000113.4K66 P67 G89 G90 N91 I114K66-D87 HydrophobicContact CB-CB 4.45Å; P67-D87 WeakPolarHBondContact O-CA 3.31Å; P67-D87 WeakPolarHBondContact O-CB 3.45Å; D87-G89 PolarHBondContact O-N 2.83Å; D87-G89 WeakPolarHBondContact OD1-CA 3.16Å; D87-G89 PolarHBondContact OD1-N 3.06Å; D87-G90 PolarHBondContact O-N 2.86Å; D87-G90 VanDerWaalsContact O-N 3.16Å; D87-G90 PolarHBondContact OD1-N 2.78Å; D87-N91 PolarHBondContact N-O 2.86Å; D87-N91 VanDerWaalsContact N-O 3.11Å; D87-N91 PolarHBondContact OD1-N 3.12Å; D87-N91 PolarHBondContact OD1-ND2 2.96Å; D87-N91 PolarHBondContact OD2-ND2 2.98Å; D87-I114 PolarHBondContact O-N 2.75Å; D87-I114 VanDerWaalsContact O-N 3.12Å
88F98.6Very high97.3Very high76 Ų7641.5 Ų41.533%0.33320%0.196SC..THydrogen-bonded Turntrans-71.2-15.2178.6-83-133.3000113.4F22 P67 K69 G90 I113F22-F88 AromaticContact CD2-CE2 3.87Å; F22-F88 HydrophobicContact CD2-CE2 3.87Å; F22-F88 HydrophobicContact CD2-CZ 4.07Å; F22-F88 HydrophobicContact CE1-CZ 4.31Å; F22-F88 HydrophobicContact CE2-CE1 4.49Å; F22-F88 AromaticContact CE2-CE2 3.58Å; F22-F88 HydrophobicContact CE2-CE2 3.58Å; F22-F88 AromaticContact CE2-CZ 3.4Å; F22-F88 HydrophobicContact CE2-CZ 3.4Å; F22-F88 HydrophobicContact CZ-CE1 4.48Å; F22-F88 HydrophobicContact CZ-CE2 4.21Å; F22-F88 AromaticContact CZ-CZ 3.57Å; F22-F88 HydrophobicContact CZ-CZ 3.57Å; P67-F88 HydrophobicContact CB-CB 4.04Å; P67-F88 HydrophobicContact CB-CD1 3.99Å; P67-F88 HydrophobicContact CB-CD2 3.5Å; P67-F88 VanDerWaalsContact CB-CD2 3.5Å; P67-F88 HydrophobicContact CB-CE1 4.3Å; P67-F88 HydrophobicContact CB-CE2 3.82Å; P67-F88 HydrophobicContact CB-CG 3.58Å; P67-F88 HydrophobicContact CB-CZ 4.22Å; P67-F88 HydrophobicContact CG-CB 4.39Å; P67-F88 HydrophobicContact CG-CD1 4.32Å; P67-F88 HydrophobicContact CG-CG 4.21Å; P67-F88 VanDerWaalsContact O-CD2 3.31Å; P67-F88 WeakPolarHBondContact O-CD2 3.17Å; P67-F88 PolarHBondContact O-N 2.79Å; K69-F88 HydrophobicContact CB-CD2 3.87Å; K69-F88 HydrophobicContact CB-CE2 3.67Å; K69-F88 HydrophobicContact CD-CE2 3.98Å; K69-F88 HydrophobicContact CD-CZ 4.43Å; K69-F88 HydrophobicContact CG-CE2 4.27Å; F88-G90 VanDerWaalsContact C-N 3.35Å; F88-I113 HydrophobicContact CB-CD1 4.43Å; F88-I113 HydrophobicContact CD1-CD1 3.83Å; F88-I113 HydrophobicContact CD2-CD1 3.49Å; F88-I113 VanDerWaalsContact CD2-CD1 3.49Å; F88-I113 HydrophobicContact CD2-CG1 4.12Å; F88-I113 HydrophobicContact CE1-CD1 3.9Å; F88-I113 HydrophobicContact CE2-CD1 3.59Å; F88-I113 HydrophobicContact CG-CD1 3.63Å; F88-I113 HydrophobicContact CG-CG1 4.22Å; F88-I113 HydrophobicContact CZ-CD1 3.78Å
89G98.4Very high97.6Very high14 Ų1440 Ų4014%0.14420%0.195CC..THydrogen-bonded Turntrans-86.3-2.3172.300000113D87 N91 K108D87-G89 PolarHBondContact O-N 2.83Å; D87-G89 WeakPolarHBondContact OD1-CA 3.16Å; D87-G89 PolarHBondContact OD1-N 3.06Å; G89-N91 VanDerWaalsContact C-N 3.32Å; G89-K108 WeakPolarHBondContact O-CE 3.37Å; G89-K108 PolarHBondContact O-NZ 2.88Å
90G98.6Very high97.6Very high0 Ų032 Ų320%016%0.159CC..SBendtrans7818-174.600000114.1D87 F88 G109 H110 E112D87-G90 PolarHBondContact O-N 2.86Å; D87-G90 VanDerWaalsContact O-N 3.16Å; D87-G90 PolarHBondContact OD1-N 2.78Å; F88-G90 VanDerWaalsContact C-N 3.35Å; G90-G109 PolarHBondContact O-N 2.9Å; G90-H110 PolarHBondContact O-N 2.8Å; G90-E112 WeakPolarHBondContact CA-O 3.3Å; G90-E112 PolarHBondContact N-O 2.84Å
91N98.7Very high97.6Very high33 Ų3334.2 Ų34.218%0.17617%0.169CC..EExtended strand (participates in β ladder)trans-89.3132.5174.2-50.2-70.4000110.4D87 G89 H93 V107 K108 I114D87-N91 PolarHBondContact N-O 2.86Å; D87-N91 VanDerWaalsContact N-O 3.11Å; D87-N91 PolarHBondContact OD1-N 3.12Å; D87-N91 PolarHBondContact OD1-ND2 2.96Å; D87-N91 PolarHBondContact OD2-ND2 2.98Å; G89-N91 VanDerWaalsContact C-N 3.32Å; N91-H93 WeakPolarHBondContact CB-NE2 3.31Å; N91-V107 WeakPolarHBondContact CA-O 3.45Å; N91-K108 WeakPolarHBondContact OD1-CD 3.18Å; N91-I114 WeakPolarHBondContact O-CD1 3.46Å
92L98.9Very high97.5Very high0 Ų037.1 Ų37.10%019%0.188CC..EExtended strand (participates in β ladder)trans-94.6124.2165.1167.763.8000107.9A84 T85 Y105 S106 V107 I114 I117 I132 T134 W144A84-L92 HydrophobicContact CB-CD1 4.48Å; T85-L92 WeakPolarHBondContact O-CA 3.16Å; L92-Y105 HydrophobicContact CD2-CE1 4.11Å; L92-Y105 HydrophobicContact CG-CE1 4.36Å; L92-S106 WeakPolarHBondContact O-CA 3.17Å; L92-V107 HydrophobicContact CB-CG1 3.85Å; L92-V107 HydrophobicContact CD2-CG1 4.29Å; L92-V107 HydrophobicContact CG-CG1 4.37Å; L92-V107 PolarHBondContact N-O 3.28Å; L92-V107 PolarHBondContact O-N 2.64Å; L92-I114 HydrophobicContact CB-CD1 4.36Å; L92-I117 HydrophobicContact CD1-CD1 3.73Å; L92-I132 HydrophobicContact CD1-CG2 4.17Å; L92-I132 HydrophobicContact CD2-CG2 4.35Å; L92-T134 HydrophobicContact CD1-CG2 4.26Å; L92-T134 HydrophobicContact CD2-CG2 4.37Å; L92-W144 HydrophobicContact CD2-CB 3.95Å; L92-W144 VanDerWaalsContact CD2-CD1 3.47Å; L92-W144 HydrophobicContact CD2-CD2 3.81Å; L92-W144 HydrophobicContact CD2-CG 3.45Å; L92-W144 VanDerWaalsContact CD2-CG 3.45Å
93H98.8Very high97.4Very high28 Ų2837 Ų3713%0.1319%0.194CC..EExtended strand (participates in β ladder)trans-124147.7174.6-62.5-66.2000111.2A84 T85 N91 W95 P103 Y105 S106A84-H93 CarbonylContact C-O 3.51Å; A84-H93 VanDerWaalsContact CA-O 3.29Å; A84-H93 WeakPolarHBondContact CA-O 3.33Å; T85-H93 PolarHBondContact N-O 3.28Å; T85-H93 PolarHBondContact O-N 2.7Å; T85-H93 PolarHBondContact OG1-O 2.94Å; N91-H93 WeakPolarHBondContact CB-NE2 3.31Å; H93-W95 HydrophobicContact CB-CD2 4.36Å; H93-W95 HydrophobicContact CB-CH2 4.38Å; H93-W95 HydrophobicContact CB-CZ2 3.43Å; H93-W95 VanDerWaalsContact CB-CZ2 3.43Å; H93-W95 VanDerWaalsContact CB-NE1 3.29Å; H93-W95 AromaticContact CD2-CZ2 3.72Å; H93-W95 AromaticContact CG-CZ2 3.47Å; H93-W95 VanDerWaalsContact CG-CZ2 3.47Å; H93-P103 HydrophobicContact CB-CB 4.41Å; H93-Y105 CarbonylContact C-O 3.6Å; H93-Y105 VanDerWaalsContact CA-O 3.29Å; H93-Y105 WeakPolarHBondContact CA-O 3.44Å; H93-S106 PolarHBondContact CE1-OG 3.07Å; H93-S106 PolarHBondContact ND1-OG 2.88Å; H93-S106 VanDerWaalsContact ND1-OG 3.08Å
94I98.7Very high97.4Very high13 Ų1341 Ų417%0.06722%0.218CC..EExtended strand (participates in β ladder)trans-118.1125.5168.1-56.7177.1000108.3Y82 L83 A84 P103 V104 Y105 I132 P146Y82-I94 HydrophobicContact CD2-CG2 4.21Å; Y82-I94 HydrophobicContact CG-CG2 4.28Å; L83-I94 WeakPolarHBondContact O-CA 3.41Å; A84-I94 HydrophobicContact CB-CG1 4.17Å; I94-P103 CarbonylContact O-C 3.56Å; I94-P103 WeakPolarHBondContact O-CA 3.43Å; I94-V104 HydrophobicContact CG2-CB 4.46Å; I94-V104 PolarHBondContact O-N 3.26Å; I94-Y105 HydrophobicContact CD1-CD1 4.21Å; I94-Y105 HydrophobicContact CD1-CG 4.02Å; I94-Y105 HydrophobicContact CG1-CD1 4.27Å; I94-Y105 HydrophobicContact CG1-CG 4.33Å; I94-Y105 PolarHBondContact N-O 3.16Å; I94-Y105 PolarHBondContact O-N 2.8Å; I94-I132 HydrophobicContact CD1-CD1 3.61Å; I94-I132 HydrophobicContact CG1-CD1 4.06Å; I94-P146 HydrophobicContact CD1-CB 3.75Å; I94-P146 HydrophobicContact CD1-CG 3.9Å
95W98.5Very high97.3Very high10 Ų1041.6 Ų41.64%0.03822%0.219CC..EExtended strand (participates in β ladder)trans-114.2131.7-171.9-57.3101.3000112.1I46 K64 Y82 L83 T85 H93 L97 P100 P103I46-W95 HydrophobicContact CD1-CG 4.48Å; K64-W95 HydrophobicContact CD-CH2 3.78Å; K64-W95 HydrophobicContact CD-CZ2 4.02Å; K64-W95 HydrophobicContact CD-CZ3 4.33Å; K64-W95 VanDerWaalsContact CE-CZ3 3.41Å; K64-W95 HydrophobicContact CG-CZ2 4.46Å; K64-W95 VanDerWaalsContact NZ-CZ3 3.26Å; Y82-W95 VanDerWaalsContact CA-O 3.23Å; Y82-W95 WeakPolarHBondContact CA-O 3.5Å; Y82-W95 WeakPolarHBondContact CB-O 3.29Å; L83-W95 PolarHBondContact N-O 2.88Å; L83-W95 PolarHBondContact O-N 3.09Å; T85-W95 PolarHBondContact OG1-NE1 3.46Å; H93-W95 HydrophobicContact CB-CD2 4.36Å; H93-W95 HydrophobicContact CB-CH2 4.38Å; H93-W95 HydrophobicContact CB-CZ2 3.43Å; H93-W95 VanDerWaalsContact CB-CZ2 3.43Å; H93-W95 VanDerWaalsContact CB-NE1 3.29Å; H93-W95 AromaticContact CD2-CZ2 3.72Å; H93-W95 AromaticContact CG-CZ2 3.47Å; H93-W95 VanDerWaalsContact CG-CZ2 3.47Å; W95-L97 HydrophobicContact CB-CD2 4.47Å; W95-L97 PolarHBondContact O-N 3.27Å; W95-P100 WeakPolarHBondContact CZ3-O 3.35Å; W95-P103 HydrophobicContact CD2-CB 4.32Å; W95-P103 HydrophobicContact CE3-CB 3.83Å; W95-P103 HydrophobicContact CH2-CB 3.73Å; W95-P103 HydrophobicContact CH2-CG 3.99Å; W95-P103 HydrophobicContact CZ2-CB 4.26Å; W95-P103 HydrophobicContact CZ3-CB 3.52Å; W95-P103 HydrophobicContact CZ3-CG 3.97Å; W95-P103 VanDerWaalsContact CZ3-N 3.34Å
96N97.8Very high97.3Very high34 Ų3444.5 Ų44.518%0.18224%0.239CC..  trans-77.6112155.1-177.7-2000108.5Y82 E98 A99 P100 V104Y82-N96 HydrophobicContact CD1-CB 3.88Å; Y82-N96 HydrophobicContact CE1-CB 3.51Å; N96-E98 PolarHBondContact O-N 2.89Å; N96-E98 WeakPolarHBondContact OD1-CB 3.39Å; N96-E98 PolarHBondContact OD1-N 3.37Å; N96-A99 CarbonylContact O-C 3.42Å; N96-A99 PolarHBondContact O-N 2.82Å; N96-P100 VanDerWaalsContact O-CA 3.31Å; N96-P100 WeakPolarHBondContact O-CA 3.34Å; N96-V104 HydrophobicContact CB-CG2 4.02Å
97L96.1Very high97.3Very high13 Ų1345 Ų457%0.06824%0.243CC..THydrogen-bonded Turntrans-67.9-15.8-178.7-61.2177.4000113.2V34 I46 R60 I62 F73 L83 W95V34-L97 HydrophobicContact CG1-CD1 3.75Å; I46-L97 HydrophobicContact CG2-CD2 4.4Å; R60-L97 VanDerWaalsContact CD-O 3.25Å; R60-L97 WeakPolarHBondContact CD-O 3.34Å; I62-L97 HydrophobicContact CD1-CD2 4.11Å; F73-L97 HydrophobicContact CE1-CD1 4.2Å; F73-L97 HydrophobicContact CZ-CD1 4.05Å; L83-L97 HydrophobicContact CB-CD1 4.47Å; L83-L97 HydrophobicContact CB-CD2 4.16Å; L83-L97 HydrophobicContact CB-CG 4.41Å; L83-L97 HydrophobicContact CD2-CD2 4.29Å; W95-L97 HydrophobicContact CB-CD2 4.47Å; W95-L97 PolarHBondContact O-N 3.27Å
98E94.6Very high97.3Very high150 Ų15050.8 Ų50.870%0.70127%0.268SS*.THydrogen-bonded Turntrans-84.4-27.7176.5-59.4-175.2164.300113R60 N96R60-E98 VanDerWaalsContact CZ-O 3.31Å; R60-E98 PolarHBondContact NH1-O 3.35Å; R60-E98 PolarHBondContact NH2-O 3.29Å; N96-E98 PolarHBondContact O-N 2.89Å; N96-E98 WeakPolarHBondContact OD1-CB 3.39Å; N96-E98 PolarHBondContact OD1-N 3.37Å
99A95.2Very high97.2Very high47 Ų4747.7 Ų47.739%0.38826%0.257SS..SBendtrans-13670.3177.800000109.9N96 E101N96-A99 CarbonylContact O-C 3.42Å; N96-A99 PolarHBondContact O-N 2.82Å; A99-E101 VanDerWaalsContact C-N 3.28Å; A99-E101 WeakPolarHBondContact CA-OE2 3.29Å; A99-E101 PolarHBondContact O-N 3.19Å
100P93.9Very high97.2Very high9 Ų947.2 Ų47.26%0.05825%0.251CS..THydrogen-bonded Turntrans-83.41.5-167.935.3-37.6000113.8I62 K64 W95 N96 M102I62-P100 HydrophobicContact CD1-CB 3.56Å; I62-P100 HydrophobicContact CD1-CG 3.81Å; I62-P100 HydrophobicContact CG1-CB 3.95Å; I62-P100 HydrophobicContact CG1-CG 3.81Å; I62-P100 HydrophobicContact CG2-CB 3.78Å; I62-P100 HydrophobicContact CG2-CG 4.19Å; K64-P100 PolarHBondContact NZ-O 3.03Å; W95-P100 WeakPolarHBondContact CZ3-O 3.35Å; N96-P100 VanDerWaalsContact O-CA 3.31Å; N96-P100 WeakPolarHBondContact O-CA 3.34Å; P100-M102 VanDerWaalsContact C-N 3.32Å; P100-M102 PolarHBondContact O-N 2.91Å
101E93.1Very high97.2Very high142 Ų14255.3 Ų55.366%0.66429%0.286SS*.THydrogen-bonded Turntrans-60.3-43.1-175.5-66.768.9-150.600111.2A99A99-E101 VanDerWaalsContact C-N 3.28Å; A99-E101 WeakPolarHBondContact CA-OE2 3.29Å; A99-E101 PolarHBondContact O-N 3.19Å
102M94.7Very high97.2Very high151 Ų15158.4 Ų58.474%0.74430%0.3SS*.SBendtrans-120138.1175.3-67.7-168.5-67.400111.1P100P100-M102 VanDerWaalsContact C-N 3.32Å; P100-M102 PolarHBondContact O-N 2.91Å
103P97.4Very high97.2Very high46 Ų4659.4 Ų59.430%0.29931%0.305SS..  trans-70144.117528.7-31.9000110.7H93 I94 W95 Y105H93-P103 HydrophobicContact CB-CB 4.41Å; I94-P103 CarbonylContact O-C 3.56Å; I94-P103 WeakPolarHBondContact O-CA 3.43Å; W95-P103 HydrophobicContact CD2-CB 4.32Å; W95-P103 HydrophobicContact CE3-CB 3.83Å; W95-P103 HydrophobicContact CH2-CB 3.73Å; W95-P103 HydrophobicContact CH2-CG 3.99Å; W95-P103 HydrophobicContact CZ2-CB 4.26Å; W95-P103 HydrophobicContact CZ3-CB 3.52Å; W95-P103 HydrophobicContact CZ3-CG 3.97Å; W95-P103 VanDerWaalsContact CZ3-N 3.34Å; P103-Y105 VanDerWaalsContact C-N 3.26Å; P103-Y105 WeakPolarHBondContact CB-O 3.32Å
104V97.6Very high97.2Very high84 Ų8458 Ų5851%0.50930%0.298SS..SBendtrans-67.2-33.9171-179.30000110.4Y82 I94 N96Y82-V104 HydrophobicContact CD2-CB 4.44Å; Y82-V104 HydrophobicContact CD2-CG1 4.22Å; Y82-V104 HydrophobicContact CD2-CG2 4.08Å; Y82-V104 HydrophobicContact CE2-CB 4.42Å; Y82-V104 HydrophobicContact CE2-CG1 3.95Å; Y82-V104 HydrophobicContact CE2-CG2 3.86Å; I94-V104 HydrophobicContact CG2-CB 4.46Å; I94-V104 PolarHBondContact O-N 3.26Å; N96-V104 HydrophobicContact CB-CG2 4.02Å
105Y98.3Very high97.2Very high16 Ų1658.4 Ų58.46%0.06330%0.301CS..EExtended strand (participates in β ladder)trans-141.2139176.5-177.2-88.1000109.4L92 H93 I94 P103 V107 Q148L92-Y105 HydrophobicContact CD2-CE1 4.11Å; L92-Y105 HydrophobicContact CG-CE1 4.36Å; H93-Y105 CarbonylContact C-O 3.6Å; H93-Y105 VanDerWaalsContact CA-O 3.29Å; H93-Y105 WeakPolarHBondContact CA-O 3.44Å; I94-Y105 HydrophobicContact CD1-CD1 4.21Å; I94-Y105 HydrophobicContact CD1-CG 4.02Å; I94-Y105 HydrophobicContact CG1-CD1 4.27Å; I94-Y105 HydrophobicContact CG1-CG 4.33Å; I94-Y105 PolarHBondContact N-O 3.16Å; I94-Y105 PolarHBondContact O-N 2.8Å; P103-Y105 VanDerWaalsContact C-N 3.26Å; P103-Y105 WeakPolarHBondContact CB-O 3.32Å; Y105-V107 HydrophobicContact CD1-CG1 4.47Å; Y105-V107 HydrophobicContact CE1-CB 3.99Å; Y105-V107 HydrophobicContact CE1-CG1 3.52Å; Y105-Q148 VanDerWaalsContact CE2-O 3.3Å; Y105-Q148 WeakPolarHBondContact CE2-O 3.36Å; Y105-Q148 PolarHBondContact OH-O 2.78Å
106S97.9Very high97.2Very high61 Ų6158.5 Ų58.543%0.42730%0.303SS..EExtended strand (participates in β ladder)trans-148.7127.3-180-179.20000110.1L92 H93L92-S106 WeakPolarHBondContact O-CA 3.17Å; H93-S106 PolarHBondContact CE1-OG 3.07Å; H93-S106 PolarHBondContact ND1-OG 2.88Å; H93-S106 VanDerWaalsContact ND1-OG 3.08Å
107V98.6Very high97.3Very high11 Ų1157.8 Ų57.87%0.06730%0.299CS..EExtended strand (participates in β ladder)trans-145.8139.7174.467.20000110.4N91 L92 Y105 G109 W144 D150N91-V107 WeakPolarHBondContact CA-O 3.45Å; L92-V107 HydrophobicContact CB-CG1 3.85Å; L92-V107 HydrophobicContact CD2-CG1 4.29Å; L92-V107 HydrophobicContact CG-CG1 4.37Å; L92-V107 PolarHBondContact N-O 3.28Å; L92-V107 PolarHBondContact O-N 2.64Å; Y105-V107 HydrophobicContact CD1-CG1 4.47Å; Y105-V107 HydrophobicContact CE1-CB 3.99Å; Y105-V107 HydrophobicContact CE1-CG1 3.52Å; V107-G109 PolarHBondContact O-N 2.66Å; V107-W144 HydrophobicContact CB-CZ3 4.48Å; V107-W144 HydrophobicContact CG1-CE3 4.06Å; V107-W144 HydrophobicContact CG1-CH2 4.07Å; V107-W144 HydrophobicContact CG1-CZ2 4.5Å; V107-W144 HydrophobicContact CG1-CZ3 3.81Å; V107-W144 HydrophobicContact CG2-CH2 4.24Å; V107-W144 HydrophobicContact CG2-CZ3 3.95Å; V107-D150 VanDerWaalsContact CG2-O 3.26Å; V107-D150 WeakPolarHBondContact CG2-O 3.29Å
108K98.3Very high97.4Very high129 Ų12957.9 Ų57.956%0.56130%0.3SS*.EExtended strand (participates in β ladder)trans-78.777.4165.4-179.368.9177.2-162.50108.1G89 N91 H110G89-K108 WeakPolarHBondContact O-CE 3.37Å; G89-K108 PolarHBondContact O-NZ 2.88Å; N91-K108 WeakPolarHBondContact OD1-CD 3.18Å; K108-H110 VanDerWaalsContact CE-O 3.22Å; K108-H110 WeakPolarHBondContact CE-O 3.19Å
109G97.4Very high97.6Very high11 Ų1150.7 Ų50.711%0.11327%0.266CS..  trans-77.2-28.6-171.300000114.1G90 V107 K142G90-G109 PolarHBondContact O-N 2.9Å; V107-G109 PolarHBondContact O-N 2.66Å; G109-K142 VanDerWaalsContact O-CD 3.28Å; G109-K142 WeakPolarHBondContact O-CD 3.38Å; G109-K142 WeakPolarHBondContact O-CE 3.01Å
110H98.6Very high97.7Very high4 Ų448.5 Ų48.52%0.01925%0.248CC..  trans-130.9157.3-174.3-71.2-82.3000112G90 K108 I114 T134 S136 D138 T140G90-H110 PolarHBondContact O-N 2.8Å; K108-H110 VanDerWaalsContact CE-O 3.22Å; K108-H110 WeakPolarHBondContact CE-O 3.19Å; H110-I114 HydrophobicContact CB-CG1 4.18Å; H110-T134 PolarHBondContact CD2-OG1 3.03Å; H110-T134 WeakPolarHBondContact NE2-CB 3.5Å; H110-T134 PolarHBondContact NE2-OG1 3.2Å; H110-S136 VanDerWaalsContact CG-CB 3.44Å; H110-S136 WeakPolarHBondContact ND1-CB 3.33Å; H110-D138 VanDerWaalsContact CA-OD2 3.29Å; H110-D138 WeakPolarHBondContact CA-OD2 3.45Å; H110-D138 VanDerWaalsContact CB-OD2 3.25Å; H110-D138 WeakPolarHBondContact CB-OD2 3.27Å; H110-D138 IonicContact CG-OD2 2.72Å; H110-D138 IonicContact ND1-OD1 3.9Å; H110-D138 PolarHBondContact ND1-OD1 2.87Å; H110-D138 IonicContact ND1-OD2 2.62Å; H110-D138 PolarHBondContact ND1-OD2 3.17Å; H110-D138 VanDerWaalsContact ND1-OD2 3.08Å; H110-T140 PolarHBondContact CE1-O 3.36Å; H110-T140 PolarHBondContact CE1-OG1 3Å; H110-T140 PolarHBondContact ND1-OG1 2.89Å
111K98.2Very high97.9Very high170 Ų17048.8 Ų48.874%0.73925%0.253SS*.SBendtrans-81.6-26.6179-64.7-179.4-178.2178.70112.5D138K111-D138 HydrophobicContact CB-CB 4.1Å; K111-D138 PolarHBondContact N-OD2 2.92Å
112E98.6Very high98Very high98 Ų9842.2 Ų42.246%0.45822%0.223SC..SBendtrans-129.1176.9-177.3-69.2-70.2162.100110.2G90 I114 S136 R137 D138G90-E112 WeakPolarHBondContact CA-O 3.3Å; G90-E112 PolarHBondContact N-O 2.84Å; E112-I114 PolarHBondContact O-N 2.94Å; E112-S136 PolarHBondContact O-OG 3Å; E112-S136 VanDerWaalsContact O-OG 3.09Å; E112-R137 HydrophobicContact CB-CB 3.95Å; E112-R137 HydrophobicContact CB-CG 4.41Å; E112-D138 HydrophobicContact CB-CB 4.13Å; E112-D138 HydrophobicContact CG-CB 4.3Å
113I98.7Very high98Very high20 Ų2037 Ų3710%0.10320%0.198CC..  trans-42.8135176.7-179.8166.6000113.2K69 F88 N115 S136 R137K69-I113 HydrophobicContact CB-CD1 4.14Å; K69-I113 HydrophobicContact CB-CG1 4.28Å; K69-I113 HydrophobicContact CD-CD1 4.11Å; K69-I113 HydrophobicContact CG-CD1 3.92Å; K69-I113 HydrophobicContact CG-CG1 4.21Å; F88-I113 HydrophobicContact CB-CD1 4.43Å; F88-I113 HydrophobicContact CD1-CD1 3.83Å; F88-I113 HydrophobicContact CD2-CD1 3.49Å; F88-I113 VanDerWaalsContact CD2-CD1 3.49Å; F88-I113 HydrophobicContact CD2-CG1 4.12Å; F88-I113 HydrophobicContact CE1-CD1 3.9Å; F88-I113 HydrophobicContact CE2-CD1 3.59Å; F88-I113 HydrophobicContact CG-CD1 3.63Å; F88-I113 HydrophobicContact CG-CG1 4.22Å; F88-I113 HydrophobicContact CZ-CD1 3.78Å; I113-N115 PolarHBondContact O-N 2.82Å; I113-S136 VanDerWaalsContact O-CA 3.28Å; I113-S136 WeakPolarHBondContact O-CA 3.23Å; I113-S136 WeakPolarHBondContact O-CB 3.39Å; I113-S136 PolarHBondContact O-OG 2.94Å; I113-R137 HydrophobicContact CG2-CB 3.54Å; I113-R137 HydrophobicContact CG2-CG 4.39Å; I113-R137 PolarHBondContact O-N 3.34Å
114I98.9Very high97.7Very high0 Ų038.6 Ų38.60%022%0.222CC..EExtended strand (participates in β ladder)trans-82.9106.6165.7-67.7157.6000107.4K69 D87 N91 L92 H110 E112 A116 T134 G135K69-I114 WeakPolarHBondContact CB-O 3.44Å; K69-I114 WeakPolarHBondContact CG-O 3.26Å; D87-I114 PolarHBondContact O-N 2.75Å; D87-I114 VanDerWaalsContact O-N 3.12Å; N91-I114 WeakPolarHBondContact O-CD1 3.46Å; L92-I114 HydrophobicContact CB-CD1 4.36Å; H110-I114 HydrophobicContact CB-CG1 4.18Å; E112-I114 PolarHBondContact O-N 2.94Å; I114-A116 WeakPolarHBondContact CG2-O 3.32Å; I114-T134 HydrophobicContact CD1-CG2 4.33Å; I114-T134 HydrophobicContact CG2-CG2 3.99Å; I114-G135 CarbonylContact C-O 3.59Å
115N98.8Very high97.5Very high21 Ų2138.2 Ų38.211%0.11222%0.217CC..EExtended strand (participates in β ladder)trans-74.2-37.7-176.5-71.7-44.5000112.3K69 I113 G135 R137 D166 C167K69-N115 PolarHBondContact NZ-O 2.87Å; I113-N115 PolarHBondContact O-N 2.82Å; N115-G135 PolarHBondContact N-O 3.3Å; N115-R137 PolarHBondContact ND2-N 3.12Å; N115-D166 PolarHBondContact ND2-OD1 3.01Å; N115-C167 VanDerWaalsContact CB-O 3.3Å; N115-C167 WeakPolarHBondContact CB-O 3.31Å; N115-C167 PolarHBondContact ND2-O 2.73Å
116A98.8Very high97.3Very high11 Ų1138 Ų389%0.09122%0.22CC..EExtended strand (participates in β ladder)trans-141.9151.1-174.800000112.1I114 T134 G135 W168 V170I114-A116 WeakPolarHBondContact CG2-O 3.32Å; A116-T134 WeakPolarHBondContact O-CA 3.27Å; A116-G135 PolarHBondContact N-O 2.9Å; A116-G135 PolarHBondContact O-N 3.04Å; A116-W168 WeakPolarHBondContact CB-O 3.16Å; A116-V170 HydrophobicContact CB-CG2 3.95Å
117I98.9Very high97Very high19 Ų1939.9 Ų39.910%0.09722%0.222CC..EExtended strand (participates in β ladder)trans-143.5142.3-179.8-166.6172.1000108.9C70 T72 A84 L92 I132 V133 T134C70-I117 HydrophobicContact CB-CG2 3.77Å; C70-I117 VanDerWaalsContact SG-CG2 3.56Å; T72-I117 HydrophobicContact CG2-CD1 4.14Å; T72-I117 HydrophobicContact CG2-CG1 3.93Å; T72-I117 HydrophobicContact CG2-CG2 4.28Å; A84-I117 HydrophobicContact CB-CD1 4.03Å; L92-I117 HydrophobicContact CD1-CD1 3.73Å; I117-I132 HydrophobicContact CD1-CG2 3.74Å; I117-I132 HydrophobicContact CG1-CG2 3.65Å; I117-V133 CarbonylContact C-O 3.5Å; I117-V133 VanDerWaalsContact CA-O 3.26Å; I117-V133 WeakPolarHBondContact CA-O 3.44Å; I117-V133 WeakPolarHBondContact CG1-O 3.26Å; I117-T134 HydrophobicContact CD1-CG2 4.16Å; I117-T134 HydrophobicContact CG1-CG2 3.98Å
118D98.9Very high96.7Very high15 Ų1540.8 Ų40.88%0.0823%0.233CC..EExtended strand (participates in β ladder)trans-140.2160.8169.1-162.419.2000111.2I132 V133 F172 K220D118-I132 CarbonylContact O-C 3.57Å; D118-I132 WeakPolarHBondContact O-CA 3.3Å; D118-V133 HydrophobicContact CB-CG1 3.7Å; D118-V133 PolarHBondContact N-O 2.98Å; D118-V133 PolarHBondContact O-N 2.95Å; D118-F172 HydrophobicContact CB-CD2 4.2Å; D118-F172 PolarHBondContact OD2-N 3.08Å; D118-K220 IonicContact OD1-NZ 3.56Å; D118-K220 PolarHBondContact OD1-NZ 3.27Å; D118-K220 WeakPolarHBondContact OD2-CE 3.21Å; D118-K220 IonicContact OD2-NZ 2.66Å; D118-K220 PolarHBondContact OD2-NZ 3.15Å; D118-K220 VanDerWaalsContact OD2-NZ 3.11Å
119G98.6Very high96.5Very high0 Ų036 Ų360%022%0.218CC..EExtended strand (participates in β ladder)trans-139.9150.1179.100000112.2G74 E131 K220G74-G119 CarbonylContact O-C 3.16Å; G119-E131 WeakPolarHBondContact CA-O 3.49Å; G119-K220 PolarHBondContact O-NZ 2.93Å
120V98.3Very high96.5Very high1 Ų137.5 Ų37.51%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-149.3161.3177.770.90000110.2G74 G122 P130 E131 F172 A175 K220G74-V120 CarbonylContact O-C 3.45Å; G74-V120 WeakPolarHBondContact O-CA 3.36Å; G74-V120 PolarHBondContact O-N 2.84Å; V120-G122 PolarHBondContact O-N 3.21Å; V120-P130 VanDerWaalsContact O-CA 3.31Å; V120-P130 WeakPolarHBondContact O-CA 3.39Å; V120-E131 PolarHBondContact N-O 3.45Å; V120-E131 PolarHBondContact O-N 2.93Å; V120-F172 HydrophobicContact CB-CB 4.01Å; V120-F172 HydrophobicContact CB-CD2 3.91Å; V120-F172 HydrophobicContact CB-CE2 4.5Å; V120-F172 HydrophobicContact CB-CG 3.98Å; V120-F172 HydrophobicContact CG1-CB 4.04Å; V120-F172 HydrophobicContact CG1-CD1 3.79Å; V120-F172 HydrophobicContact CG1-CD2 3.63Å; V120-F172 HydrophobicContact CG1-CE1 4.05Å; V120-F172 HydrophobicContact CG1-CE2 3.88Å; V120-F172 HydrophobicContact CG1-CG 3.57Å; V120-F172 HydrophobicContact CG1-CZ 4.08Å; V120-A175 HydrophobicContact CG2-CB 3.69Å; V120-K220 HydrophobicContact CG2-CB 4.43Å
121G96.7Very high96.5Very high15 Ų1538.9 Ų38.916%0.15523%0.232CC..SBendtrans82.5-6.6-178.900000113.9I125G121-I125 WeakPolarHBondContact CA-O 3.41Å; G121-I125 PolarHBondContact N-O 2.95Å
122G96.1Very high96.6Very high4 Ų430.9 Ų30.94%0.04120%0.197CC..SBendtrans-89.8171.1166.200000112.1G74 T76 V120 G124 I125G74-G122 VanDerWaalsContact O-CA 3.25Å; G74-G122 WeakPolarHBondContact O-CA 3.35Å; G74-G122 PolarHBondContact O-N 3.07Å; T76-G122 CarbonylContact O-C 3.6Å; T76-G122 WeakPolarHBondContact O-CA 3.29Å; V120-G122 PolarHBondContact O-N 3.21Å; G122-G124 PolarHBondContact O-N 2.83Å; G122-I125 PolarHBondContact O-N 3Å
123L94.1Very high96.6Very high41 Ų4126.2 Ų26.222%0.21518%0.175CC..THydrogen-bonded Turntrans57.211.7172.9-50.2174.8000116P28 F73 T76 L78 I125P28-L123 HydrophobicContact CB-CD1 4.03Å; P28-L123 HydrophobicContact CB-CD2 3.75Å; P28-L123 HydrophobicContact CG-CD1 3.51Å; P28-L123 HydrophobicContact CG-CD2 3.71Å; P28-L123 HydrophobicContact CG-CG 4.28Å; F73-L123 HydrophobicContact CB-CD1 4.37Å; F73-L123 WeakPolarHBondContact O-CD1 3.29Å; T76-L123 HydrophobicContact CG2-CD2 4.18Å; T76-L123 WeakPolarHBondContact O-CD2 3.28Å; T76-L123 WeakPolarHBondContact O-CG 3.44Å; T76-L123 PolarHBondContact O-N 3.18Å; L78-L123 HydrophobicContact CD2-CD2 3.71Å; L78-L123 HydrophobicContact CG-CD2 4.26Å; L123-I125 VanDerWaalsContact C-N 3.31Å
124G91.9Very high96.6Very high79 Ų7925.2 Ų25.281%0.81417%0.17SC*.THydrogen-bonded Turntrans74.118.5-171.100000114G122G122-G124 PolarHBondContact O-N 2.83Å
125I93.3Very high96.6Very high76 Ų7625.2 Ų25.239%0.3917%0.17SC..  trans-112.6115.2177.9-58.4175.6000109.3G121 G122 L123 D221G121-I125 WeakPolarHBondContact CA-O 3.41Å; G121-I125 PolarHBondContact N-O 2.95Å; G122-I125 PolarHBondContact O-N 3Å; L123-I125 VanDerWaalsContact C-N 3.31Å; I125-D221 HydrophobicContact CG2-CB 4.21Å
126G93.6Very high96.6Very high12 Ų1224.2 Ų24.212%0.12417%0.165CC..SBendtrans86.6137.6-175.500000111.6A175G126-A175 VanDerWaalsContact CA-O 3.27Å; G126-A175 WeakPolarHBondContact CA-O 3.47Å
127E91.8Very high96.6Very high101 Ų10130.9 Ų30.947%0.47219%0.188SC..SBendtrans-85.1155.1180-71.3-66.6152.700111.3A175 N177 R181E127-A175 PolarHBondContact N-O 2.8Å; E127-N177 VanDerWaalsContact CB-CA 3.42Å; E127-N177 WeakPolarHBondContact CB-O 3.34Å; E127-R181 PolarHBondContact O-NH2 2.83Å
128G92.9Very high96.5Very high30 Ų3030.9 Ų30.931%0.30919%0.188SC..SBendtrans91.1-169.3-178.600000113.9
129A94.4Very high96.4Very high29 Ų2930.1 Ų30.124%0.2418%0.184CC..SBendtrans-68.1149.2-177.500000112.4E131 R181A129-E131 PolarHBondContact O-N 3.16Å; A129-R181 PolarHBondContact O-NH1 2.98Å; A129-R181 PolarHBondContact O-NH2 2.81Å
130P97.3Very high96.4Very high41 Ų4130.4 Ų30.427%0.26619%0.185SC..  trans-64.6128.7172.1-15.627.8000111.3A75 V120 P146A75-P130 HydrophobicContact CB-CB 4.18Å; A75-P130 VanDerWaalsContact O-CB 3.22Å; A75-P130 WeakPolarHBondContact O-CB 3.13Å; V120-P130 VanDerWaalsContact O-CA 3.31Å; V120-P130 WeakPolarHBondContact O-CA 3.39Å; P130-P146 VanDerWaalsContact O-CD 3.27Å; P130-P146 WeakPolarHBondContact O-CD 3.15Å
131E98.4Very high96.4Very high33 Ų3330.3 Ų30.315%0.15419%0.185CC..EExtended strand (participates in β ladder)trans-133.8152.6177.6-70.4179.3157.800111.1A75 G119 V120 A129 V143 W144 F172 R181A75-E131 WeakPolarHBondContact CB-O 3.4Å; G119-E131 WeakPolarHBondContact CA-O 3.49Å; V120-E131 PolarHBondContact N-O 3.45Å; V120-E131 PolarHBondContact O-N 2.93Å; A129-E131 PolarHBondContact O-N 3.16Å; E131-V143 HydrophobicContact CB-CG1 3.94Å; E131-V143 HydrophobicContact CG-CG1 4.14Å; E131-W144 CarbonylContact C-O 3.59Å; E131-W144 VanDerWaalsContact CA-O 3.31Å; E131-W144 WeakPolarHBondContact CA-O 3.26Å; E131-F172 HydrophobicContact CB-CZ 3.95Å; E131-R181 IonicContact OE1-NH1 2.72Å; E131-R181 WeakPolarHBondContact OE2-CD 3.38Å; E131-R181 IonicContact OE2-CZ 2.79Å; E131-R181 IonicContact OE2-NE 3.31Å; E131-R181 IonicContact OE2-NH1 3.88Å; E131-R181 PolarHBondContact OE2-NH1 2.94Å
132I98.9Very high96.5Very high2 Ų231 Ų311%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-118.9135.2175.5-61.9164.2000107.8A75 A84 L92 I94 I117 D118 T134 V143 W144 P146A75-I132 HydrophobicContact CB-CD1 4.23Å; A75-I132 HydrophobicContact CB-CG1 3.53Å; A84-I132 HydrophobicContact CB-CD1 3.6Å; A84-I132 HydrophobicContact CB-CG1 4.31Å; L92-I132 HydrophobicContact CD1-CG2 4.17Å; L92-I132 HydrophobicContact CD2-CG2 4.35Å; I94-I132 HydrophobicContact CD1-CD1 3.61Å; I94-I132 HydrophobicContact CG1-CD1 4.06Å; I117-I132 HydrophobicContact CD1-CG2 3.74Å; I117-I132 HydrophobicContact CG1-CG2 3.65Å; D118-I132 CarbonylContact O-C 3.57Å; D118-I132 WeakPolarHBondContact O-CA 3.3Å; I132-T134 HydrophobicContact CG2-CG2 4.36Å; I132-V143 CarbonylContact O-C 3.58Å; I132-V143 WeakPolarHBondContact O-CA 3.39Å; I132-W144 HydrophobicContact CB-CB 4.4Å; I132-W144 PolarHBondContact N-O 2.9Å; I132-W144 PolarHBondContact O-N 3.18Å; I132-P146 HydrophobicContact CD1-CG 3.99Å; I132-P146 HydrophobicContact CG1-CG 4.5Å
133V98.9Very high96.6Very high0 Ų030.8 Ų30.80%018%0.182CC..EExtended strand (participates in β ladder)trans-110.9137.2170.363.20000109.7I117 D118 V141 K142 V143 V170 F172 V183I117-V133 CarbonylContact C-O 3.5Å; I117-V133 VanDerWaalsContact CA-O 3.26Å; I117-V133 WeakPolarHBondContact CA-O 3.44Å; I117-V133 WeakPolarHBondContact CG1-O 3.26Å; D118-V133 HydrophobicContact CB-CG1 3.7Å; D118-V133 PolarHBondContact N-O 2.98Å; D118-V133 PolarHBondContact O-N 2.95Å; V133-V141 HydrophobicContact CG2-CG1 3.55Å; V133-K142 CarbonylContact C-O 3.6Å; V133-K142 VanDerWaalsContact CA-O 3.29Å; V133-K142 WeakPolarHBondContact CA-O 3Å; V133-V143 HydrophobicContact CB-CG2 4.3Å; V133-V143 HydrophobicContact CG2-CG2 4.14Å; V133-V170 HydrophobicContact CG1-CB 4.1Å; V133-V170 HydrophobicContact CG1-CG2 3.85Å; V133-V170 HydrophobicContact CG2-CB 4.2Å; V133-V170 HydrophobicContact CG2-CG1 4.35Å; V133-V170 HydrophobicContact CG2-CG2 4.34Å; V133-F172 HydrophobicContact CB-CD2 4.34Å; V133-F172 HydrophobicContact CB-CE1 4.24Å; V133-F172 HydrophobicContact CB-CE2 3.67Å; V133-F172 HydrophobicContact CB-CZ 3.61Å; V133-F172 HydrophobicContact CG1-CD2 3.64Å; V133-F172 HydrophobicContact CG1-CE1 4.4Å; V133-F172 HydrophobicContact CG1-CE2 3.43Å; V133-F172 VanDerWaalsContact CG1-CE2 3.43Å; V133-F172 HydrophobicContact CG1-CG 4.24Å; V133-F172 HydrophobicContact CG1-CZ 3.85Å; V133-V183 HydrophobicContact CB-CG2 4.35Å; V133-V183 HydrophobicContact CG2-CG1 3.78Å; V133-V183 HydrophobicContact CG2-CG2 4.04Å
134T98.9Very high96.9Very high0 Ų029 Ų290%017%0.172CC..EExtended strand (participates in β ladder)trans-123.1134.1175.452.40000110.3L92 H110 I114 A116 I117 I132 V141 K142 W144L92-T134 HydrophobicContact CD1-CG2 4.26Å; L92-T134 HydrophobicContact CD2-CG2 4.37Å; H110-T134 PolarHBondContact CD2-OG1 3.03Å; H110-T134 WeakPolarHBondContact NE2-CB 3.5Å; H110-T134 PolarHBondContact NE2-OG1 3.2Å; I114-T134 HydrophobicContact CD1-CG2 4.33Å; I114-T134 HydrophobicContact CG2-CG2 3.99Å; A116-T134 WeakPolarHBondContact O-CA 3.27Å; I117-T134 HydrophobicContact CD1-CG2 4.16Å; I117-T134 HydrophobicContact CG1-CG2 3.98Å; I132-T134 HydrophobicContact CG2-CG2 4.36Å; T134-V141 CarbonylContact O-C 3.48Å; T134-V141 VanDerWaalsContact O-CA 3.31Å; T134-V141 WeakPolarHBondContact O-CA 3.26Å; T134-K142 PolarHBondContact N-O 2.87Å; T134-K142 PolarHBondContact O-N 3.03Å; T134-W144 PolarHBondContact OG1-NE1 3.04Å
135G98.8Very high97.1Very high0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-115131171.400000110.4I114 N115 A116I114-G135 CarbonylContact C-O 3.59Å; N115-G135 PolarHBondContact N-O 3.3Å; A116-G135 PolarHBondContact N-O 2.9Å; A116-G135 PolarHBondContact O-N 3.04Å
136S98.8Very high97.3Very high0 Ų024.4 Ų24.40%013%0.132CC..EExtended strand (participates in β ladder)trans-124.8159.1-171.7175.60000113.4H110 E112 I113 D138 G139 T140 C167H110-S136 VanDerWaalsContact CG-CB 3.44Å; H110-S136 WeakPolarHBondContact ND1-CB 3.33Å; E112-S136 PolarHBondContact O-OG 3Å; E112-S136 VanDerWaalsContact O-OG 3.09Å; I113-S136 VanDerWaalsContact O-CA 3.28Å; I113-S136 WeakPolarHBondContact O-CA 3.23Å; I113-S136 WeakPolarHBondContact O-CB 3.39Å; I113-S136 PolarHBondContact O-OG 2.94Å; S136-D138 WeakPolarHBondContact CB-OD1 3.22Å; S136-D138 PolarHBondContact O-N 3.44Å; S136-D138 PolarHBondContact OG-N 3.27Å; S136-D138 VanDerWaalsContact OG-N 3.08Å; S136-D138 PolarHBondContact OG-OD1 2.94Å; S136-G139 PolarHBondContact O-N 2.97Å; S136-T140 PolarHBondContact N-O 2.92Å; S136-C167 WeakPolarHBondContact O-CB 3.17Å; S136-C167 PolarHBondContact O-N 3.25Å; S136-C167 VanDerWaalsContact O-N 3.12Å
137R98.6Very high97.4Very high151 Ų15132.3 Ų32.357%0.5716%0.158SC*.THydrogen-bonded Turntrans-61.9-19167-177.5172-170.9-172.22.5114.1E112 I113 N115 G139 D166E112-R137 HydrophobicContact CB-CB 3.95Å; E112-R137 HydrophobicContact CB-CG 4.41Å; I113-R137 HydrophobicContact CG2-CB 3.54Å; I113-R137 HydrophobicContact CG2-CG 4.39Å; I113-R137 PolarHBondContact O-N 3.34Å; N115-R137 PolarHBondContact ND2-N 3.12Å; R137-G139 PolarHBondContact O-N 3.44Å; R137-G139 VanDerWaalsContact O-N 3.15Å; R137-D166 WeakPolarHBondContact CA-OD1 3.35Å; R137-D166 WeakPolarHBondContact CB-OD1 3.46Å; R137-D166 HydrophobicContact CG-CB 4.42Å
138D97.7Very high97.6Very high18 Ų1831.3 Ų31.310%0.09615%0.153CC..THydrogen-bonded Turntrans-69-5.2170.872.815.8000113.3H110 K111 E112 S136 T140 K164H110-D138 VanDerWaalsContact CA-OD2 3.29Å; H110-D138 WeakPolarHBondContact CA-OD2 3.45Å; H110-D138 VanDerWaalsContact CB-OD2 3.25Å; H110-D138 WeakPolarHBondContact CB-OD2 3.27Å; H110-D138 IonicContact CG-OD2 2.72Å; H110-D138 IonicContact ND1-OD1 3.9Å; H110-D138 PolarHBondContact ND1-OD1 2.87Å; H110-D138 IonicContact ND1-OD2 2.62Å; H110-D138 PolarHBondContact ND1-OD2 3.17Å; H110-D138 VanDerWaalsContact ND1-OD2 3.08Å; K111-D138 HydrophobicContact CB-CB 4.1Å; K111-D138 PolarHBondContact N-OD2 2.92Å; E112-D138 HydrophobicContact CB-CB 4.13Å; E112-D138 HydrophobicContact CG-CB 4.3Å; S136-D138 WeakPolarHBondContact CB-OD1 3.22Å; S136-D138 PolarHBondContact O-N 3.44Å; S136-D138 PolarHBondContact OG-N 3.27Å; S136-D138 VanDerWaalsContact OG-N 3.08Å; S136-D138 PolarHBondContact OG-OD1 2.94Å; D138-T140 VanDerWaalsContact C-N 3.33Å; D138-T140 WeakPolarHBondContact OD1-CB 3.42Å; D138-T140 PolarHBondContact OD1-N 2.96Å; D138-T140 PolarHBondContact OD1-OG1 2.76Å; D138-K164 VanDerWaalsContact O-CD 3.23Å; D138-K164 WeakPolarHBondContact O-CD 3.43Å
139G96.8Very high97.6Very high0 Ų037.4 Ų37.40%017%0.171CC..SBendtrans77.515.4175.900000115.4S136 R137 R165S136-G139 PolarHBondContact O-N 2.97Å; R137-G139 PolarHBondContact O-N 3.44Å; R137-G139 VanDerWaalsContact O-N 3.15Å; G139-R165 WeakPolarHBondContact CA-O 3.35Å
140T98Very high97.5Very high5 Ų541.3 Ų41.33%0.03119%0.188CC..  trans-105.5149.2171.670.20000110.8H110 S136 D138 E157H110-T140 PolarHBondContact CE1-O 3.36Å; H110-T140 PolarHBondContact CE1-OG1 3Å; H110-T140 PolarHBondContact ND1-OG1 2.89Å; S136-T140 PolarHBondContact N-O 2.92Å; D138-T140 VanDerWaalsContact C-N 3.33Å; D138-T140 WeakPolarHBondContact OD1-CB 3.42Å; D138-T140 PolarHBondContact OD1-N 2.96Å; D138-T140 PolarHBondContact OD1-OG1 2.76Å; T140-E157 HydrophobicContact CG2-CB 3.68Å
141V98.7Very high97.5Very high0 Ų044.5 Ų44.50%020%0.203CC..EExtended strand (participates in β ladder)trans-116.5128.2168.9178.50000107.4V133 T134 M156 C167 V170 V183 A185V133-V141 HydrophobicContact CG2-CG1 3.55Å; T134-V141 CarbonylContact O-C 3.48Å; T134-V141 VanDerWaalsContact O-CA 3.31Å; T134-V141 WeakPolarHBondContact O-CA 3.26Å; V141-M156 HydrophobicContact CB-CB 4.24Å; V141-M156 HydrophobicContact CB-CE 4.45Å; V141-M156 HydrophobicContact CB-SD 4.41Å; V141-M156 HydrophobicContact CG1-CE 4.12Å; V141-M156 HydrophobicContact CG1-SD 4.11Å; V141-M156 PolarHBondContact N-O 3.49Å; V141-M156 WeakPolarHBondContact O-CE 3.47Å; V141-M156 PolarHBondContact O-N 2.87Å; V141-C167 HydrophobicContact CG2-CB 4.3Å; V141-C167 VanDerWaalsContact CG2-SG 3.59Å; V141-V170 HydrophobicContact CG1-CG1 3.83Å; V141-V170 HydrophobicContact CG2-CG1 4.06Å; V141-V183 HydrophobicContact CG1-CG1 3.89Å; V141-A185 HydrophobicContact CG2-CB 3.8Å
142K98.8Very high97.5Very high29 Ų2944.5 Ų44.513%0.12621%0.206CC..EExtended strand (participates in β ladder)trans-126.5139.6-175.2-69.4175-174-70.60110.5G109 V133 T134 W144 P152 A154 N155G109-K142 VanDerWaalsContact O-CD 3.28Å; G109-K142 WeakPolarHBondContact O-CD 3.38Å; G109-K142 WeakPolarHBondContact O-CE 3.01Å; V133-K142 CarbonylContact C-O 3.6Å; V133-K142 VanDerWaalsContact CA-O 3.29Å; V133-K142 WeakPolarHBondContact CA-O 3Å; T134-K142 PolarHBondContact N-O 2.87Å; T134-K142 PolarHBondContact O-N 3.03Å; K142-W144 HydrophobicContact CB-CZ2 3.7Å; K142-W144 HydrophobicContact CD-CH2 4Å; K142-W144 HydrophobicContact CD-CZ2 3.51Å; K142-W144 HydrophobicContact CG-CZ2 4.23Å; K142-P152 HydrophobicContact CB-CB 4.09Å; K142-P152 HydrophobicContact CD-CG 4.27Å; K142-P152 HydrophobicContact CG-CB 4.42Å; K142-P152 HydrophobicContact CG-CG 4.4Å; K142-A154 WeakPolarHBondContact CA-O 3.35Å; K142-N155 WeakPolarHBondContact CG-OD1 3.33Å; K142-N155 PolarHBondContact NZ-OD1 3.24Å
143V98.8Very high97.4Very high0 Ų047 Ų470%022%0.221CC..EExtended strand (participates in β ladder)trans-107.3135.5172.5-177.90000108.7E131 I132 V133 P152 V153 A154 M156 F172 V183 L197E131-V143 HydrophobicContact CB-CG1 3.94Å; E131-V143 HydrophobicContact CG-CG1 4.14Å; I132-V143 CarbonylContact O-C 3.58Å; I132-V143 WeakPolarHBondContact O-CA 3.39Å; V133-V143 HydrophobicContact CB-CG2 4.3Å; V133-V143 HydrophobicContact CG2-CG2 4.14Å; V143-P152 CarbonylContact O-C 3.55Å; V143-P152 VanDerWaalsContact O-CA 3.27Å; V143-P152 WeakPolarHBondContact O-CA 3.39Å; V143-P152 WeakPolarHBondContact O-CB 3.47Å; V143-V153 HydrophobicContact CB-CG2 4.04Å; V143-V153 HydrophobicContact CG1-CG2 3.71Å; V143-V153 WeakPolarHBondContact O-CG2 3.5Å; V143-V153 PolarHBondContact O-N 3.08Å; V143-A154 HydrophobicContact CB-CB 4.02Å; V143-A154 HydrophobicContact CG2-CB 4.22Å; V143-A154 PolarHBondContact N-O 3.44Å; V143-A154 PolarHBondContact O-N 3.01Å; V143-M156 HydrophobicContact CG2-CE 3.69Å; V143-F172 HydrophobicContact CG1-CE1 4.5Å; V143-F172 HydrophobicContact CG1-CZ 4.15Å; V143-V183 HydrophobicContact CG2-CG2 3.97Å; V143-L197 HydrophobicContact CG1-CD1 4.46Å; V143-L197 HydrophobicContact CG2-CD1 4.06Å; V143-L197 HydrophobicContact CG2-CD2 4.23Å
144W98.8Very high97.3Very high3 Ų347.4 Ų47.41%0.01123%0.225CC..EExtended strand (participates in β ladder)trans-124.5130.4-173.6-51.389.5000109.5L92 V107 E131 I132 T134 K142 P152L92-W144 HydrophobicContact CD2-CB 3.95Å; L92-W144 VanDerWaalsContact CD2-CD1 3.47Å; L92-W144 HydrophobicContact CD2-CD2 3.81Å; L92-W144 HydrophobicContact CD2-CG 3.45Å; L92-W144 VanDerWaalsContact CD2-CG 3.45Å; V107-W144 HydrophobicContact CB-CZ3 4.48Å; V107-W144 HydrophobicContact CG1-CE3 4.06Å; V107-W144 HydrophobicContact CG1-CH2 4.07Å; V107-W144 HydrophobicContact CG1-CZ2 4.5Å; V107-W144 HydrophobicContact CG1-CZ3 3.81Å; V107-W144 HydrophobicContact CG2-CH2 4.24Å; V107-W144 HydrophobicContact CG2-CZ3 3.95Å; E131-W144 CarbonylContact C-O 3.59Å; E131-W144 VanDerWaalsContact CA-O 3.31Å; E131-W144 WeakPolarHBondContact CA-O 3.26Å; I132-W144 HydrophobicContact CB-CB 4.4Å; I132-W144 PolarHBondContact N-O 2.9Å; I132-W144 PolarHBondContact O-N 3.18Å; T134-W144 PolarHBondContact OG1-NE1 3.04Å; K142-W144 HydrophobicContact CB-CZ2 3.7Å; K142-W144 HydrophobicContact CD-CH2 4Å; K142-W144 HydrophobicContact CD-CZ2 3.51Å; K142-W144 HydrophobicContact CG-CZ2 4.23Å; W144-P152 HydrophobicContact CD2-CB 4.05Å; W144-P152 HydrophobicContact CE3-CB 3.83Å; W144-P152 HydrophobicContact CH2-CB 3.95Å; W144-P152 HydrophobicContact CH2-CG 4.11Å; W144-P152 HydrophobicContact CZ2-CB 4.2Å; W144-P152 HydrophobicContact CZ3-CB 3.77Å; W144-P152 HydrophobicContact CZ3-CG 4.15Å
145D97.6Very high97.2Very high17 Ų1750.4 Ų50.49%0.09124%0.24CC..  trans-93.7117.5162.5-176.4-28.5000107.9R147 Q148 V153D145-R147 PolarHBondContact O-N 3.19Å; D145-R147 WeakPolarHBondContact OD1-CA 3.46Å; D145-R147 WeakPolarHBondContact OD1-CB 3.27Å; D145-R147 VanDerWaalsContact OD1-CG 3.26Å; D145-R147 WeakPolarHBondContact OD1-CG 3.31Å; D145-R147 IonicContact OD1-CZ 3.07Å; D145-R147 PolarHBondContact OD1-N 2.72Å; D145-R147 IonicContact OD1-NE 2.64Å; D145-R147 PolarHBondContact OD1-NE 2.92Å; D145-R147 IonicContact OD1-NH2 3.68Å; D145-R147 IonicContact OD2-CZ 3.54Å; D145-R147 VanDerWaalsContact OD2-CZ 3.25Å; D145-R147 IonicContact OD2-NE 2.68Å; D145-R147 PolarHBondContact OD2-NE 2.85Å; D145-R147 VanDerWaalsContact OD2-NE 3.07Å; D145-R147 IonicContact OD2-NH2 3.97Å; D145-R147 PolarHBondContact OD2-NH2 2.83Å; D145-Q148 HydrophobicContact CB-CB 4.21Å; D145-Q148 PolarHBondContact O-N 2.83Å; D145-V153 HydrophobicContact CB-CG1 3.74Å
146P96.8Very high97.1Very high41 Ų4151.1 Ų51.127%0.26624%0.244SC..THydrogen-bonded Turntrans-57.6-16.2179.2-26.336000115I94 P130 I132I94-P146 HydrophobicContact CD1-CB 3.75Å; I94-P146 HydrophobicContact CD1-CG 3.9Å; P130-P146 VanDerWaalsContact O-CD 3.27Å; P130-P146 WeakPolarHBondContact O-CD 3.15Å; I132-P146 HydrophobicContact CD1-CG 3.99Å; I132-P146 HydrophobicContact CG1-CG 4.5Å
147R95.6Very high96.9Very high179 Ų17955.4 Ų55.468%0.67526%0.264SS*.THydrogen-bonded Turntrans-83.5-22.4176.6-52.3169.6-64.717410.7111.8D145D145-R147 PolarHBondContact O-N 3.19Å; D145-R147 WeakPolarHBondContact OD1-CA 3.46Å; D145-R147 WeakPolarHBondContact OD1-CB 3.27Å; D145-R147 VanDerWaalsContact OD1-CG 3.26Å; D145-R147 WeakPolarHBondContact OD1-CG 3.31Å; D145-R147 IonicContact OD1-CZ 3.07Å; D145-R147 PolarHBondContact OD1-N 2.72Å; D145-R147 IonicContact OD1-NE 2.64Å; D145-R147 PolarHBondContact OD1-NE 2.92Å; D145-R147 IonicContact OD1-NH2 3.68Å; D145-R147 IonicContact OD2-CZ 3.54Å; D145-R147 VanDerWaalsContact OD2-CZ 3.25Å; D145-R147 IonicContact OD2-NE 2.68Å; D145-R147 PolarHBondContact OD2-NE 2.85Å; D145-R147 VanDerWaalsContact OD2-NE 3.07Å; D145-R147 IonicContact OD2-NH2 3.97Å; D145-R147 PolarHBondContact OD2-NH2 2.83Å
148Q96.1Very high96.3Very high80 Ų8050 Ų5037%0.37425%0.248SC..SBendtrans-95.9117.4174.3-176.1174.5-59.300109.8Y105 D145 D151Y105-Q148 VanDerWaalsContact CE2-O 3.3Å; Y105-Q148 WeakPolarHBondContact CE2-O 3.36Å; Y105-Q148 PolarHBondContact OH-O 2.78Å; D145-Q148 HydrophobicContact CB-CB 4.21Å; D145-Q148 PolarHBondContact O-N 2.83Å; Q148-D151 PolarHBondContact NE2-O 2.86Å
149K92.4Very high95.9Very high157 Ų15754.3 Ų54.368%0.68328%0.275SS*.  trans-80152.7177.9-65.3-171.6178.5-176.50111D151K149-D151 PolarHBondContact O-N 3.04Å
150D92.8Very high95.3Very high111 Ų11163.7 Ų63.759%0.59432%0.319SS*.SBendtrans66.9-39.4166.5-51.1-41.7000117.1V107V107-D150 VanDerWaalsContact CG2-O 3.26Å; V107-D150 WeakPolarHBondContact CG2-O 3.29Å
151D96.9Very high94.5Very high108 Ų10867.2 Ų67.258%0.57836%0.356SS*.SBendtrans-111.7140-175.8-67.6-56.1000112.9Q148 K149Q148-D151 PolarHBondContact NE2-O 2.86Å; K149-D151 PolarHBondContact O-N 3.04Å
152P97.9Very high94.1Very high33 Ų3372.9 Ų72.921%0.21438%0.383CS..  trans-72.3150.4172.131.9-34.4000111.1K142 V143 W144K142-P152 HydrophobicContact CB-CB 4.09Å; K142-P152 HydrophobicContact CD-CG 4.27Å; K142-P152 HydrophobicContact CG-CB 4.42Å; K142-P152 HydrophobicContact CG-CG 4.4Å; V143-P152 CarbonylContact O-C 3.55Å; V143-P152 VanDerWaalsContact O-CA 3.27Å; V143-P152 WeakPolarHBondContact O-CA 3.39Å; V143-P152 WeakPolarHBondContact O-CB 3.47Å; W144-P152 HydrophobicContact CD2-CB 4.05Å; W144-P152 HydrophobicContact CE3-CB 3.83Å; W144-P152 HydrophobicContact CH2-CB 3.95Å; W144-P152 HydrophobicContact CH2-CG 4.11Å; W144-P152 HydrophobicContact CZ2-CB 4.2Å; W144-P152 HydrophobicContact CZ3-CB 3.77Å; W144-P152 HydrophobicContact CZ3-CG 4.15Å
153V97.3Very high93.6Very high55 Ų5577.6 Ų77.633%0.33341%0.41SS..SBendtrans-79.4-22.6174.4-64.80000112.4V143 D145V143-V153 HydrophobicContact CB-CG2 4.04Å; V143-V153 HydrophobicContact CG1-CG2 3.71Å; V143-V153 WeakPolarHBondContact O-CG2 3.5Å; V143-V153 PolarHBondContact O-N 3.08Å; D145-V153 HydrophobicContact CB-CG1 3.74Å
154A97.3Very high93.3Very high9 Ų982.7 Ų82.77%0.07443%0.432CS..EExtended strand (participates in β ladder)trans-144.2143.2171.100000111.1K142 V143 M156 L197 M200K142-A154 WeakPolarHBondContact CA-O 3.35Å; V143-A154 HydrophobicContact CB-CB 4.02Å; V143-A154 HydrophobicContact CG2-CB 4.22Å; V143-A154 PolarHBondContact N-O 3.44Å; V143-A154 PolarHBondContact O-N 3.01Å; A154-M156 HydrophobicContact CB-CE 3.98Å; A154-L197 HydrophobicContact CB-CD2 4.42Å; A154-M200 HydrophobicContact CB-CE 3.51Å; A154-M200 HydrophobicContact CB-SD 4.07Å
155N97.4Very high93.2Very high62 Ų6287.8 Ų87.833%0.33245%0.451SS..EExtended strand (participates in β ladder)trans-132.5113.3178.1179.947000108.9K142 E157K142-N155 WeakPolarHBondContact CG-OD1 3.33Å; K142-N155 PolarHBondContact NZ-OD1 3.24Å; N155-E157 PolarHBondContact ND2-OE1 2.96Å
156M96.4Very high93.2Very high15 Ų1588.4 Ų88.47%0.07445%0.454CS..EExtended strand (participates in β ladder)trans-105.9108.5178.8-62.5128.6-81.600107.1V141 V143 A154 V183 F195 L197V141-M156 HydrophobicContact CB-CB 4.24Å; V141-M156 HydrophobicContact CB-CE 4.45Å; V141-M156 HydrophobicContact CB-SD 4.41Å; V141-M156 HydrophobicContact CG1-CE 4.12Å; V141-M156 HydrophobicContact CG1-SD 4.11Å; V141-M156 PolarHBondContact N-O 3.49Å; V141-M156 WeakPolarHBondContact O-CE 3.47Å; V141-M156 PolarHBondContact O-N 2.87Å; V143-M156 HydrophobicContact CG2-CE 3.69Å; A154-M156 HydrophobicContact CB-CE 3.98Å; M156-V183 HydrophobicContact SD-CB 4.4Å; M156-V183 HydrophobicContact SD-CG1 4.35Å; M156-F195 HydrophobicContact CB-CD1 4.33Å; M156-F195 HydrophobicContact CB-CD2 4.3Å; M156-F195 HydrophobicContact CB-CE1 4.11Å; M156-F195 HydrophobicContact CB-CE2 4.09Å; M156-F195 HydrophobicContact CB-CG 4.41Å; M156-F195 HydrophobicContact CB-CZ 3.98Å; M156-F195 HydrophobicContact CG-CB 4.24Å; M156-F195 HydrophobicContact CG-CD1 3.87Å; M156-F195 HydrophobicContact CG-CD2 4Å; M156-F195 HydrophobicContact CG-CE1 4.17Å; M156-F195 HydrophobicContact CG-CE2 4.29Å; M156-F195 HydrophobicContact CG-CG 3.77Å; M156-F195 HydrophobicContact CG-CZ 4.37Å; M156-F195 HydrophobicContact SD-CB 4.04Å; M156-F195 HydrophobicContact SD-CD2 3.86Å; M156-F195 HydrophobicContact SD-CE2 4.48Å; M156-F195 HydrophobicContact SD-CG 3.93Å; M156-L197 HydrophobicContact SD-CD2 4.31Å
157E93.4Very high93.3Very high90 Ų9086.4 Ų86.442%0.42144%0.441SS..  trans-140.9158.5176.270.5-179.5124.500110.8T140 N155 K164T140-E157 HydrophobicContact CG2-CB 3.68Å; N155-E157 PolarHBondContact ND2-OE1 2.96Å; E157-K164 IonicContact OE2-NZ 2.8Å; E157-K164 PolarHBondContact OE2-NZ 2.89Å
158P87.6Confident93.4Very high37 Ų3781.3 Ų81.324%0.2442%0.422CS..PPolyproline II helixtrans-57.6154175.2-2334000112E162P158-E162 HydrophobicContact CB-CB 3.68Å
159V88.6Confident93.6Very high109 Ų10978 Ų7866%0.66141%0.407SS*.PPolyproline II helixtrans-60.7146.6176-178.80000109.3G161 E162V159-G161 PolarHBondContact O-N 2.83Å; V159-G161 VanDerWaalsContact O-N 3.11Å; V159-E162 PolarHBondContact N-OE2 3.26Å; V159-E162 WeakPolarHBondContact O-CB 3.41Å; V159-E162 PolarHBondContact O-N 2.97Å
160Q84.9Confident93.9Very high197 Ų19770.9 Ų70.992%0.92138%0.377SS*.THydrogen-bonded Turntrans-53.2121.9179.8-172.5178.13.800111
161G80.7Confident94.2Very high79 Ų7965.7 Ų65.781%0.81435%0.349SS*.THydrogen-bonded Turntrans104.9-14.7-176.600000114.2V159V159-G161 PolarHBondContact O-N 2.83Å; V159-G161 VanDerWaalsContact O-N 3.11Å
162E89.1Confident94.3Very high119 Ų11960.6 Ų60.656%0.55632%0.322SS*.SBendtrans-79.8149.5170.7-67.5-171.3156.900112P158 V159 K164P158-E162 HydrophobicContact CB-CB 3.68Å; V159-E162 PolarHBondContact N-OE2 3.26Å; V159-E162 WeakPolarHBondContact O-CB 3.41Å; V159-E162 PolarHBondContact O-N 2.97Å; E162-K164 PolarHBondContact O-N 2.9Å
163N89.4Confident94.3Very high129 Ų12959 Ų5969%0.6931%0.312SS*.PPolyproline II helixtrans-70.4128.7177.5-73-44.3000110.6
164K93Very high94.3Very high107 Ų10756.6 Ų56.647%0.46530%0.297SS..PPolyproline II helixtrans-72.2134.2173.5-57.8-165.6172.6-144.10109.9D138 E157 E162D138-K164 VanDerWaalsContact O-CD 3.23Å; D138-K164 WeakPolarHBondContact O-CD 3.43Å; E157-K164 IonicContact OE2-NZ 2.8Å; E157-K164 PolarHBondContact OE2-NZ 2.89Å; E162-K164 PolarHBondContact O-N 2.9Å
165R95.6Very high94.4Very high110 Ų11056.1 Ų56.142%0.41529%0.293SS..  trans-111145.9179.4-64.9-60.6-176.3-176.9-1.2110.1G139 C167 Y187G139-R165 WeakPolarHBondContact CA-O 3.35Å; R165-C167 PolarHBondContact O-N 3.4Å; R165-Y187 HydrophobicContact CB-CD1 3.96Å; R165-Y187 HydrophobicContact CB-CG 4.41Å
166D97.9Very high94.3Very high29 Ų2957.7 Ų57.716%0.15530%0.295CS..  trans-71.7114.9-176.9-178.30.4000109.7N115 R137 W168 Y187 D188N115-D166 PolarHBondContact ND2-OD1 3.01Å; R137-D166 WeakPolarHBondContact CA-OD1 3.35Å; R137-D166 WeakPolarHBondContact CB-OD1 3.46Å; R137-D166 HydrophobicContact CG-CB 4.42Å; D166-W168 VanDerWaalsContact CG-CD1 3.42Å; D166-W168 PolarHBondContact O-N 2.96Å; D166-W168 PolarHBondContact OD2-NE1 3.09Å; D166-Y187 CarbonylContact O-C 3.55Å; D166-Y187 VanDerWaalsContact O-CA 3.29Å; D166-Y187 WeakPolarHBondContact O-CA 3.4Å; D166-D188 HydrophobicContact CB-CB 4.01Å; D166-D188 PolarHBondContact N-OD1 2.95Å; D166-D188 PolarHBondContact O-N 3.37Å
167C98.6Very high94.3Very high0 Ų059.4 Ų59.40%031%0.305CS..EExtended strand (participates in β ladder)trans-82.5114.5178.6-178.80000109.6N115 S136 V141 R165 Y187N115-C167 VanDerWaalsContact CB-O 3.3Å; N115-C167 WeakPolarHBondContact CB-O 3.31Å; N115-C167 PolarHBondContact ND2-O 2.73Å; S136-C167 WeakPolarHBondContact O-CB 3.17Å; S136-C167 PolarHBondContact O-N 3.25Å; S136-C167 VanDerWaalsContact O-N 3.12Å; V141-C167 HydrophobicContact CG2-CB 4.3Å; V141-C167 VanDerWaalsContact CG2-SG 3.59Å; R165-C167 PolarHBondContact O-N 3.4Å; C167-Y187 HydrophobicContact CB-CD1 3.88Å; C167-Y187 HydrophobicContact CB-CE1 3.79Å
168W98.8Very high94.3Very high72 Ų7262.8 Ų62.827%0.27332%0.32SS..EExtended strand (participates in β ladder)trans-95.3-26.6-174.8-74.91.8000113.6A116 D166 G186 D188 V212 L232A116-W168 WeakPolarHBondContact CB-O 3.16Å; D166-W168 VanDerWaalsContact CG-CD1 3.42Å; D166-W168 PolarHBondContact O-N 2.96Å; D166-W168 PolarHBondContact OD2-NE1 3.09Å; W168-G186 PolarHBondContact N-O 3.43Å; W168-D188 HydrophobicContact CD2-CB 4.22Å; W168-D188 HydrophobicContact CH2-CB 4.16Å; W168-D188 HydrophobicContact CZ2-CB 3.51Å; W168-V212 VanDerWaalsContact CB-O 3.3Å; W168-V212 WeakPolarHBondContact CB-O 3.27Å; W168-L232 HydrophobicContact CH2-CD1 4.18Å; W168-L232 HydrophobicContact CZ3-CD1 4.22Å; W168-L232 HydrophobicContact CZ3-CD2 4.2Å; W168-L232 HydrophobicContact CZ3-CG 4.23Å
169T98.9Very high94.6Very high9 Ų966.5 Ų66.56%0.05534%0.335CS..EExtended strand (participates in β ladder)trans-150.7145.7-174.9-172.80000112.2A185 G186 V212 S214 L215T169-A185 CarbonylContact O-C 3.44Å; T169-A185 WeakPolarHBondContact O-CA 3.29Å; T169-G186 PolarHBondContact N-O 2.93Å; T169-G186 PolarHBondContact O-N 2.9Å; T169-V212 HydrophobicContact CG2-CB 4.38Å; T169-V212 HydrophobicContact CG2-CG1 3.86Å; T169-S214 WeakPolarHBondContact OG1-CA 3.33Å; T169-L215 HydrophobicContact CG2-CB 3.99Å; T169-L215 HydrophobicContact CG2-CD1 3.84Å; T169-L215 HydrophobicContact CG2-CG 3.64Å; T169-L215 PolarHBondContact OG1-N 3.31Å
170V98.9Very high95Very high8 Ų862.7 Ų62.75%0.04831%0.31CS..EExtended strand (participates in β ladder)trans-137.4145.8175.7-680000109.3A116 V133 V141 C184 A185A116-V170 HydrophobicContact CB-CG2 3.95Å; V133-V170 HydrophobicContact CG1-CB 4.1Å; V133-V170 HydrophobicContact CG1-CG2 3.85Å; V133-V170 HydrophobicContact CG2-CB 4.2Å; V133-V170 HydrophobicContact CG2-CG1 4.35Å; V133-V170 HydrophobicContact CG2-CG2 4.34Å; V141-V170 HydrophobicContact CG1-CG1 3.83Å; V141-V170 HydrophobicContact CG2-CG1 4.06Å; V170-C184 CarbonylContact C-O 3.44Å; V170-C184 VanDerWaalsContact CA-O 3.29Å; V170-C184 WeakPolarHBondContact CA-O 3.3Å; V170-A185 HydrophobicContact CG1-CB 4.29Å
171A98.9Very high95.6Very high2 Ų254.1 Ų54.12%0.01727%0.269CS..EExtended strand (participates in β ladder)trans-145131.2177.100000111.3C184 L215 F217A171-C184 PolarHBondContact N-O 3.33Å; A171-C184 PolarHBondContact O-N 2.92Å; A171-L215 HydrophobicContact CB-CB 4.15Å; A171-F217 HydrophobicContact CB-CD2 4.32Å
172F98.8Very high96.4Very high1 Ų150.3 Ų50.30%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-76.4148166.7-81.1-64.9000111.4D118 V120 E131 V133 V143 R181 V182 V183 L197 F217D118-F172 HydrophobicContact CB-CD2 4.2Å; D118-F172 PolarHBondContact OD2-N 3.08Å; V120-F172 HydrophobicContact CB-CB 4.01Å; V120-F172 HydrophobicContact CB-CD2 3.91Å; V120-F172 HydrophobicContact CB-CE2 4.5Å; V120-F172 HydrophobicContact CB-CG 3.98Å; V120-F172 HydrophobicContact CG1-CB 4.04Å; V120-F172 HydrophobicContact CG1-CD1 3.79Å; V120-F172 HydrophobicContact CG1-CD2 3.63Å; V120-F172 HydrophobicContact CG1-CE1 4.05Å; V120-F172 HydrophobicContact CG1-CE2 3.88Å; V120-F172 HydrophobicContact CG1-CG 3.57Å; V120-F172 HydrophobicContact CG1-CZ 4.08Å; E131-F172 HydrophobicContact CB-CZ 3.95Å; V133-F172 HydrophobicContact CB-CD2 4.34Å; V133-F172 HydrophobicContact CB-CE1 4.24Å; V133-F172 HydrophobicContact CB-CE2 3.67Å; V133-F172 HydrophobicContact CB-CZ 3.61Å; V133-F172 HydrophobicContact CG1-CD2 3.64Å; V133-F172 HydrophobicContact CG1-CE1 4.4Å; V133-F172 HydrophobicContact CG1-CE2 3.43Å; V133-F172 VanDerWaalsContact CG1-CE2 3.43Å; V133-F172 HydrophobicContact CG1-CG 4.24Å; V133-F172 HydrophobicContact CG1-CZ 3.85Å; V143-F172 HydrophobicContact CG1-CE1 4.5Å; V143-F172 HydrophobicContact CG1-CZ 4.15Å; F172-R181 HydrophobicContact CD1-CG 4Å; F172-R181 HydrophobicContact CE1-CG 4.23Å; F172-V182 WeakPolarHBondContact CA-O 3.23Å; F172-V183 HydrophobicContact CD1-CG2 3.73Å; F172-V183 HydrophobicContact CE1-CG2 3.56Å; F172-V183 HydrophobicContact CZ-CG2 4.43Å; F172-L197 HydrophobicContact CE1-CD1 4.07Å; F172-F217 VanDerWaalsContact O-CD2 3.32Å; F172-F217 WeakPolarHBondContact O-CD2 3.3Å
173G98.5Very high96.9Very high0 Ų044.7 Ų44.70%020%0.204CC..EExtended strand (participates in β ladder)trans-155.8-178170.900000112.2A175 V182 K220G173-A175 PolarHBondContact O-N 2.88Å; G173-A175 VanDerWaalsContact O-N 3.07Å; G173-V182 PolarHBondContact N-O 2.62Å; G173-V182 WeakPolarHBondContact O-CG2 3.12Å; G173-V182 PolarHBondContact O-N 3.11Å; G173-K220 CarbonylContact C-O 3.6Å
174N98.4Very high97.3Very high4 Ų438.5 Ų38.52%0.02117%0.171CC..  trans58.417.4175.8-151.349.4000115.4Y176 E180 V182 K220 I222 S223 M224N174-Y176 WeakPolarHBondContact O-CD1 3.31Å; N174-Y176 PolarHBondContact O-N 2.98Å; N174-Y176 WeakPolarHBondContact OD1-CE1 3.34Å; N174-E180 PolarHBondContact ND2-OE2 3.11Å; N174-E180 VanDerWaalsContact ND2-OE2 3.13Å; N174-E180 CarbonylContact O-C 3.55Å; N174-E180 WeakPolarHBondContact O-CB 3.41Å; N174-V182 HydrophobicContact CB-CB 4.37Å; N174-V182 HydrophobicContact CB-CG1 3.92Å; N174-V182 HydrophobicContact CB-CG2 3.76Å; N174-K220 PolarHBondContact N-O 3.27Å; N174-I222 WeakPolarHBondContact CA-O 3.24Å; N174-S223 WeakPolarHBondContact OD1-CA 3.37Å; N174-M224 HydrophobicContact CB-CG 3.58Å; N174-M224 HydrophobicContact CB-SD 4.3Å; N174-M224 PolarHBondContact OD1-N 3.07Å
175A97.8Very high97.6Very high0 Ų033.4 Ų33.40%015%0.149CC..  trans-83.247.5-173.600000113.2V120 G126 E127 G173 E180 K220V120-A175 HydrophobicContact CG2-CB 3.69Å; G126-A175 VanDerWaalsContact CA-O 3.27Å; G126-A175 WeakPolarHBondContact CA-O 3.47Å; E127-A175 PolarHBondContact N-O 2.8Å; G173-A175 PolarHBondContact O-N 2.88Å; G173-A175 VanDerWaalsContact O-N 3.07Å; A175-E180 VanDerWaalsContact CA-O 3.29Å; A175-E180 WeakPolarHBondContact CA-O 3.32Å; A175-K220 WeakPolarHBondContact CB-O 3.17Å; A175-K220 PolarHBondContact N-O 2.94Å
176Y96.8Very high97.8Very high94 Ų9428.2 Ų28.237%0.36913%0.129SC..SBendtrans-91.6-8.3-172.466.3-93.6000114.6N174 E180 D221N174-Y176 WeakPolarHBondContact O-CD1 3.31Å; N174-Y176 PolarHBondContact O-N 2.98Å; N174-Y176 WeakPolarHBondContact OD1-CE1 3.34Å; Y176-E180 HydrophobicContact CD1-CB 4.22Å; Y176-E180 HydrophobicContact CE1-CB 3.75Å; Y176-E180 HydrophobicContact CE1-CG 3.95Å; Y176-E180 HydrophobicContact CE2-CG 4.28Å; Y176-E180 WeakPolarHBondContact OH-CG 3.28Å; Y176-D221 WeakPolarHBondContact CA-O 3.47Å; Y176-D221 VanDerWaalsContact CB-O 3.31Å; Y176-D221 WeakPolarHBondContact CB-O 3.28Å
177N96.1Very high97.8Very high51 Ų5127.4 Ų27.427%0.27312%0.124SC..SBendtrans-147-179.6171.571.833.5000109.8E127 E179 E180E127-N177 VanDerWaalsContact CB-CA 3.42Å; E127-N177 WeakPolarHBondContact CB-O 3.34Å; N177-E179 PolarHBondContact O-N 2.91Å; N177-E179 PolarHBondContact OD1-N 3.38Å; N177-E180 WeakPolarHBondContact ND2-CG 3.31Å; N177-E180 WeakPolarHBondContact OD1-CB 3.05Å; N177-E180 WeakPolarHBondContact OD1-CG 3.46Å; N177-E180 PolarHBondContact OD1-N 3.2Å
178Q93.4Very high97.8Very high161 Ų16130 Ų3075%0.75214%0.137SC*.SBendtrans-69.5-16.4-174.4-63.4-177.6-0.600114.7
179E92.9Very high97.7Very high115 Ų11528.6 Ų28.654%0.53714%0.136SC..SBendtrans-107.1-33.7-174.7-59.2-178.1164.400112.7N177 R198N177-E179 PolarHBondContact O-N 2.91Å; N177-E179 PolarHBondContact OD1-N 3.38Å; E179-R198 IonicContact OE2-CZ 2.7Å; E179-R198 IonicContact OE2-NH1 3.11Å; E179-R198 PolarHBondContact OE2-NH1 2.81Å; E179-R198 IonicContact OE2-NH2 3.03Å; E179-R198 PolarHBondContact OE2-NH2 3.46Å
180E96.4Very high97.7Very high29 Ų2928.2 Ų28.214%0.13613%0.133CC..  trans-86.7120.8-171.3-67.6-69.6150.400110N174 A175 Y176 N177 R198N174-E180 PolarHBondContact ND2-OE2 3.11Å; N174-E180 VanDerWaalsContact ND2-OE2 3.13Å; N174-E180 CarbonylContact O-C 3.55Å; N174-E180 WeakPolarHBondContact O-CB 3.41Å; A175-E180 VanDerWaalsContact CA-O 3.29Å; A175-E180 WeakPolarHBondContact CA-O 3.32Å; Y176-E180 HydrophobicContact CD1-CB 4.22Å; Y176-E180 HydrophobicContact CE1-CB 3.75Å; Y176-E180 HydrophobicContact CE1-CG 3.95Å; Y176-E180 HydrophobicContact CE2-CG 4.28Å; Y176-E180 WeakPolarHBondContact OH-CG 3.28Å; N177-E180 WeakPolarHBondContact ND2-CG 3.31Å; N177-E180 WeakPolarHBondContact OD1-CB 3.05Å; N177-E180 WeakPolarHBondContact OD1-CG 3.46Å; N177-E180 PolarHBondContact OD1-N 3.2Å; E180-R198 IonicContact OE1-CZ 3.25Å; E180-R198 IonicContact OE1-NH1 3.92Å; E180-R198 PolarHBondContact OE1-NH1 3.27Å
181R97.8Very high97.6Very high17 Ų1729.1 Ų29.16%0.06414%0.138CC..  trans-160138175-165169.7-70.5-172.9-2110E127 A129 E131 F172 L197E127-R181 PolarHBondContact O-NH2 2.83Å; A129-R181 PolarHBondContact O-NH1 2.98Å; A129-R181 PolarHBondContact O-NH2 2.81Å; E131-R181 IonicContact OE1-NH1 2.72Å; E131-R181 WeakPolarHBondContact OE2-CD 3.38Å; E131-R181 IonicContact OE2-CZ 2.79Å; E131-R181 IonicContact OE2-NE 3.31Å; E131-R181 IonicContact OE2-NH1 3.88Å; E131-R181 PolarHBondContact OE2-NH1 2.94Å; F172-R181 HydrophobicContact CD1-CG 4Å; F172-R181 HydrophobicContact CE1-CG 4.23Å; R181-L197 HydrophobicContact CB-CB 4.42Å; R181-L197 HydrophobicContact CB-CD1 4.27Å; R181-L197 HydrophobicContact CG-CD1 3.93Å; R181-L197 PolarHBondContact O-N 3.03Å
182V98.6Very high97.6Very high0 Ų029 Ų290%014%0.137CC..EExtended strand (participates in β ladder)trans-126.1154.4174-56.90000111.2F172 G173 N174 L194 F195 F217 M224F172-V182 WeakPolarHBondContact CA-O 3.23Å; G173-V182 PolarHBondContact N-O 2.62Å; G173-V182 WeakPolarHBondContact O-CG2 3.12Å; G173-V182 PolarHBondContact O-N 3.11Å; N174-V182 HydrophobicContact CB-CB 4.37Å; N174-V182 HydrophobicContact CB-CG1 3.92Å; N174-V182 HydrophobicContact CB-CG2 3.76Å; V182-L194 HydrophobicContact CB-CD1 3.85Å; V182-L194 HydrophobicContact CG2-CD1 3.76Å; V182-F195 CarbonylContact C-O 3.59Å; V182-F195 WeakPolarHBondContact CA-O 3.03Å; V182-F195 VanDerWaalsContact CB-O 3.24Å; V182-F195 WeakPolarHBondContact CB-O 3.32Å; V182-F217 HydrophobicContact CG2-CE2 4.04Å; V182-F217 HydrophobicContact CG2-CZ 3.85Å; V182-M224 HydrophobicContact CG1-SD 4.34Å; V182-M224 HydrophobicContact CG2-CG 4.42Å; V182-M224 HydrophobicContact CG2-SD 3.76Å
183V98.8Very high97.6Very high0 Ų031 Ų310%015%0.146CC..EExtended strand (participates in β ladder)trans-118.4124167.9168.50000108.1V133 V141 V143 M156 F172 F195 L197V133-V183 HydrophobicContact CB-CG2 4.35Å; V133-V183 HydrophobicContact CG2-CG1 3.78Å; V133-V183 HydrophobicContact CG2-CG2 4.04Å; V141-V183 HydrophobicContact CG1-CG1 3.89Å; V143-V183 HydrophobicContact CG2-CG2 3.97Å; M156-V183 HydrophobicContact SD-CB 4.4Å; M156-V183 HydrophobicContact SD-CG1 4.35Å; F172-V183 HydrophobicContact CD1-CG2 3.73Å; F172-V183 HydrophobicContact CE1-CG2 3.56Å; F172-V183 HydrophobicContact CZ-CG2 4.43Å; V183-F195 PolarHBondContact N-O 3.09Å; V183-F195 PolarHBondContact O-N 2.77Å; V183-L197 HydrophobicContact CG2-CD1 3.93Å; V183-L197 HydrophobicContact CG2-CD2 4.14Å; V183-L197 HydrophobicContact CG2-CG 4.25Å
184C98.9Very high97.6Very high0 Ų031 Ų310%015%0.146CC..EExtended strand (participates in β ladder)trans-102.7127.6169.6-158.40000109.1V170 A171 I192 K193 L194 L215 F217 L227V170-C184 CarbonylContact C-O 3.44Å; V170-C184 VanDerWaalsContact CA-O 3.29Å; V170-C184 WeakPolarHBondContact CA-O 3.3Å; A171-C184 PolarHBondContact N-O 3.33Å; A171-C184 PolarHBondContact O-N 2.92Å; C184-I192 VanDerWaalsContact SG-CG2 3.52Å; C184-K193 CarbonylContact C-O 3.54Å; C184-K193 WeakPolarHBondContact CA-O 3.4Å; C184-L194 HydrophobicContact CB-CD1 3.87Å; C184-L215 HydrophobicContact CB-CD1 4.27Å; C184-F217 HydrophobicContact CB-CE2 3.74Å; C184-F217 HydrophobicContact CB-CZ 4.09Å; C184-L227 HydrophobicContact CB-CD1 4.48Å; C184-L227 VanDerWaalsContact SG-CD2 3.52Å
185A98.9Very high97.6Very high0 Ų032.1 Ų32.10%015%0.15CC..EExtended strand (participates in β ladder)trans-121.3138.6-178.500000111V141 T169 V170 Y187 I192 K193 F195 L215V141-A185 HydrophobicContact CG2-CB 3.8Å; T169-A185 CarbonylContact O-C 3.44Å; T169-A185 WeakPolarHBondContact O-CA 3.29Å; V170-A185 HydrophobicContact CG1-CB 4.29Å; A185-Y187 HydrophobicContact CB-CE2 3.89Å; A185-I192 CarbonylContact O-C 3.47Å; A185-I192 WeakPolarHBondContact O-CA 3.43Å; A185-K193 PolarHBondContact N-O 3.21Å; A185-K193 PolarHBondContact O-N 2.9Å; A185-F195 HydrophobicContact CB-CE2 4.18Å; A185-L215 VanDerWaalsContact C-CD1 3.42Å
186G98.8Very high97.6Very high0 Ų032.8 Ų32.80%015%0.154CC..EExtended strand (participates in β ladder)trans-121.1139.7179.500000111.5W168 T169 D191 L215W168-G186 PolarHBondContact N-O 3.43Å; T169-G186 PolarHBondContact N-O 2.93Å; T169-G186 PolarHBondContact O-N 2.9Å; G186-D191 WeakPolarHBondContact CA-O 3.29Å; G186-L215 VanDerWaalsContact N-CD1 3.35Å
187Y98.7Very high97.6Very high12 Ų1229.7 Ų29.75%0.04714%0.143CC..EExtended strand (participates in β ladder)trans-122166.1-170.7-56.6-96.6000112.8R165 D166 C167 A185 N189 G190 D191 K193 G211 V212R165-Y187 HydrophobicContact CB-CD1 3.96Å; R165-Y187 HydrophobicContact CB-CG 4.41Å; D166-Y187 CarbonylContact O-C 3.55Å; D166-Y187 VanDerWaalsContact O-CA 3.29Å; D166-Y187 WeakPolarHBondContact O-CA 3.4Å; C167-Y187 HydrophobicContact CB-CD1 3.88Å; C167-Y187 HydrophobicContact CB-CE1 3.79Å; A185-Y187 HydrophobicContact CB-CE2 3.89Å; Y187-N189 VanDerWaalsContact C-N 3.27Å; Y187-N189 WeakPolarHBondContact CB-OD1 3.22Å; Y187-N189 PolarHBondContact O-N 3.2Å; Y187-G190 PolarHBondContact O-N 2.72Å; Y187-G190 VanDerWaalsContact O-N 3.09Å; Y187-D191 HydrophobicContact CD2-CB 3.87Å; Y187-D191 WeakPolarHBondContact CD2-O 3.3Å; Y187-D191 HydrophobicContact CG-CB 4.42Å; Y187-D191 PolarHBondContact N-O 2.87Å; Y187-K193 HydrophobicContact CE2-CB 4.16Å; Y187-K193 HydrophobicContact CE2-CD 3.85Å; Y187-K193 HydrophobicContact CE2-CG 3.99Å; Y187-G211 WeakPolarHBondContact O-CA 3.4Å; Y187-V212 PolarHBondContact O-N 2.68Å
188D98.2Very high97.6Very high54 Ų5433 Ų3329%0.28915%0.152SC..THydrogen-bonded Turntrans-59.1-29.3-178.768-34.2000115.1D166 W168 G190 G211D166-D188 HydrophobicContact CB-CB 4.01Å; D166-D188 PolarHBondContact N-OD1 2.95Å; D166-D188 PolarHBondContact O-N 3.37Å; W168-D188 HydrophobicContact CD2-CB 4.22Å; W168-D188 HydrophobicContact CH2-CB 4.16Å; W168-D188 HydrophobicContact CZ2-CB 3.51Å; D188-G190 VanDerWaalsContact C-N 3.33Å; D188-G211 WeakPolarHBondContact O-CA 3.22Å; D188-G211 PolarHBondContact O-N 2.92Å
189N97.2Very high97.6Very high44 Ų4430.3 Ų30.324%0.23514%0.143CC..THydrogen-bonded Turntrans-87.72177.969.9-21.2000114.1Y187 D191 N207Y187-N189 VanDerWaalsContact C-N 3.27Å; Y187-N189 WeakPolarHBondContact CB-OD1 3.22Å; Y187-N189 PolarHBondContact O-N 3.2Å; N189-D191 PolarHBondContact ND2-OD1 2.79Å; N189-D191 PolarHBondContact ND2-OD2 2.71Å; N189-D191 WeakPolarHBondContact OD1-CB 3.25Å; N189-D191 VanDerWaalsContact OD1-CG 3.25Å; N189-D191 PolarHBondContact OD1-N 3.48Å; N189-D191 VanDerWaalsContact OD1-N 3.12Å; N189-D191 PolarHBondContact OD1-OD2 3.35Å; N189-N207 PolarHBondContact O-ND2 3.02Å
190G98.1Very high97.6Very high0 Ų030.3 Ų30.30%014%0.144CC..SBendtrans87.86.9-178.700000115Y187 D188 N207 I208 N210Y187-G190 PolarHBondContact O-N 2.72Å; Y187-G190 VanDerWaalsContact O-N 3.09Å; D188-G190 VanDerWaalsContact C-N 3.33Å; G190-N207 WeakPolarHBondContact O-CA 3.47Å; G190-I208 WeakPolarHBondContact O-CG1 3.48Å; G190-I208 PolarHBondContact O-N 2.84Å; G190-N210 WeakPolarHBondContact CA-O 3.46Å
191D98.4Very high97.5Very high28 Ų2831 Ų3115%0.1516%0.155CC..EExtended strand (participates in β ladder)trans-65.3140.2171.7-68.4-12.3000110.3G186 Y187 N189 T206 N207 V212G186-D191 WeakPolarHBondContact CA-O 3.29Å; Y187-D191 HydrophobicContact CD2-CB 3.87Å; Y187-D191 WeakPolarHBondContact CD2-O 3.3Å; Y187-D191 HydrophobicContact CG-CB 4.42Å; Y187-D191 PolarHBondContact N-O 2.87Å; N189-D191 PolarHBondContact ND2-OD1 2.79Å; N189-D191 PolarHBondContact ND2-OD2 2.71Å; N189-D191 WeakPolarHBondContact OD1-CB 3.25Å; N189-D191 VanDerWaalsContact OD1-CG 3.25Å; N189-D191 PolarHBondContact OD1-N 3.48Å; N189-D191 VanDerWaalsContact OD1-N 3.12Å; N189-D191 PolarHBondContact OD1-OD2 3.35Å; D191-T206 WeakPolarHBondContact CA-O 3.43Å; D191-N207 PolarHBondContact N-ND2 2.69Å; D191-N207 PolarHBondContact OD1-ND2 2.62Å; D191-V212 WeakPolarHBondContact O-CG2 3.04Å
192I98.8Very high97.4Very high0 Ų034.2 Ų34.20%017%0.173CC..EExtended strand (participates in β ladder)trans-124.5119.5168.4-59.7174.1000106.6C184 A185 W204 E205 T206 I208 V212 L215 L227 A229 F239C184-I192 VanDerWaalsContact SG-CG2 3.52Å; A185-I192 CarbonylContact O-C 3.47Å; A185-I192 WeakPolarHBondContact O-CA 3.43Å; I192-W204 HydrophobicContact CG2-CH2 4.48Å; I192-W204 HydrophobicContact CG2-CZ3 3.91Å; I192-E205 VanDerWaalsContact O-CA 3.31Å; I192-E205 WeakPolarHBondContact O-CA 3.41Å; I192-T206 HydrophobicContact CB-CG2 3.92Å; I192-T206 HydrophobicContact CD1-CG2 4.2Å; I192-T206 HydrophobicContact CG1-CG2 4.42Å; I192-T206 PolarHBondContact N-O 2.79Å; I192-T206 PolarHBondContact O-N 3.39Å; I192-I208 HydrophobicContact CD1-CD1 4.22Å; I192-I208 HydrophobicContact CD1-CG1 4.32Å; I192-I208 HydrophobicContact CD1-CG2 3.82Å; I192-V212 HydrophobicContact CD1-CG2 4.38Å; I192-V212 HydrophobicContact CG1-CG1 4.36Å; I192-V212 HydrophobicContact CG1-CG2 3.77Å; I192-L215 HydrophobicContact CD1-CD2 4.25Å; I192-L215 HydrophobicContact CG2-CD1 4.31Å; I192-L215 HydrophobicContact CG2-CD2 4.33Å; I192-L227 HydrophobicContact CG2-CD2 4.5Å; I192-A229 HydrophobicContact CD1-CB 3.56Å; I192-F239 HydrophobicContact CD1-CE2 4.09Å; I192-F239 HydrophobicContact CD1-CZ 4.25Å
193K98.6Very high97.4Very high42 Ų4238.4 Ų38.418%0.18319%0.189CC..EExtended strand (participates in β ladder)trans-118.4126.7178.4-64.3179.6-174.1-86.10109.6C184 A185 Y187 F195 L202 E205C184-K193 CarbonylContact C-O 3.54Å; C184-K193 WeakPolarHBondContact CA-O 3.4Å; A185-K193 PolarHBondContact N-O 3.21Å; A185-K193 PolarHBondContact O-N 2.9Å; Y187-K193 HydrophobicContact CE2-CB 4.16Å; Y187-K193 HydrophobicContact CE2-CD 3.85Å; Y187-K193 HydrophobicContact CE2-CG 3.99Å; K193-F195 HydrophobicContact CB-CD2 4.48Å; K193-F195 HydrophobicContact CB-CE1 4.41Å; K193-F195 HydrophobicContact CB-CE2 3.64Å; K193-F195 HydrophobicContact CB-CZ 3.61Å; K193-F195 HydrophobicContact CD-CZ 3.9Å; K193-F195 HydrophobicContact CG-CZ 4.39Å; K193-L202 HydrophobicContact CB-CD1 3.84Å; K193-L202 HydrophobicContact CG-CD1 4.24Å; K193-E205 VanDerWaalsContact CE-OE1 3.28Å; K193-E205 WeakPolarHBondContact CE-OE1 3.27Å; K193-E205 HydrophobicContact CG-CG 4.16Å; K193-E205 IonicContact NZ-OE1 2.9Å; K193-E205 PolarHBondContact NZ-OE1 2.89Å; K193-E205 IonicContact NZ-OE2 2.62Å; K193-E205 PolarHBondContact NZ-OE2 2.78Å
194L98.8Very high97.3Very high0 Ų039.4 Ų39.40%019%0.193CC..EExtended strand (participates in β ladder)trans-107.1114.1177.2-17967.6000109.4V182 C184 R203 W204 F217 M224 F250V182-L194 HydrophobicContact CB-CD1 3.85Å; V182-L194 HydrophobicContact CG2-CD1 3.76Å; C184-L194 HydrophobicContact CB-CD1 3.87Å; L194-R203 HydrophobicContact CD2-CG 4.34Å; L194-R203 HydrophobicContact CG-CB 4.47Å; L194-R203 WeakPolarHBondContact O-CB 3.3Å; L194-R203 PolarHBondContact O-N 3.16Å; L194-W204 HydrophobicContact CB-CB 4.1Å; L194-W204 HydrophobicContact CB-CE3 4.05Å; L194-W204 HydrophobicContact CD2-CB 4.22Å; L194-W204 HydrophobicContact CD2-CE3 4.41Å; L194-W204 PolarHBondContact N-O 3.05Å; L194-W204 PolarHBondContact O-N 2.85Å; L194-F217 HydrophobicContact CD1-CE2 4.49Å; L194-F217 HydrophobicContact CD1-CZ 3.83Å; L194-M224 HydrophobicContact CD1-SD 4.42Å; L194-M224 HydrophobicContact CD2-CE 4.18Å; L194-M224 HydrophobicContact CD2-SD 4.05Å; L194-F250 HydrophobicContact CD2-CE2 4.27Å
195F98.5Very high97.3Very high28 Ų2843.3 Ų43.312%0.12321%0.211CC..EExtended strand (participates in β ladder)trans-102.2132.1179.9-56.3-79.2000110.5M156 V182 V183 A185 K193 A201 L202M156-F195 HydrophobicContact CB-CD1 4.33Å; M156-F195 HydrophobicContact CB-CD2 4.3Å; M156-F195 HydrophobicContact CB-CE1 4.11Å; M156-F195 HydrophobicContact CB-CE2 4.09Å; M156-F195 HydrophobicContact CB-CG 4.41Å; M156-F195 HydrophobicContact CB-CZ 3.98Å; M156-F195 HydrophobicContact CG-CB 4.24Å; M156-F195 HydrophobicContact CG-CD1 3.87Å; M156-F195 HydrophobicContact CG-CD2 4Å; M156-F195 HydrophobicContact CG-CE1 4.17Å; M156-F195 HydrophobicContact CG-CE2 4.29Å; M156-F195 HydrophobicContact CG-CG 3.77Å; M156-F195 HydrophobicContact CG-CZ 4.37Å; M156-F195 HydrophobicContact SD-CB 4.04Å; M156-F195 HydrophobicContact SD-CD2 3.86Å; M156-F195 HydrophobicContact SD-CE2 4.48Å; M156-F195 HydrophobicContact SD-CG 3.93Å; V182-F195 CarbonylContact C-O 3.59Å; V182-F195 WeakPolarHBondContact CA-O 3.03Å; V182-F195 VanDerWaalsContact CB-O 3.24Å; V182-F195 WeakPolarHBondContact CB-O 3.32Å; V183-F195 PolarHBondContact N-O 3.09Å; V183-F195 PolarHBondContact O-N 2.77Å; A185-F195 HydrophobicContact CB-CE2 4.18Å; K193-F195 HydrophobicContact CB-CD2 4.48Å; K193-F195 HydrophobicContact CB-CE1 4.41Å; K193-F195 HydrophobicContact CB-CE2 3.64Å; K193-F195 HydrophobicContact CB-CZ 3.61Å; K193-F195 HydrophobicContact CD-CZ 3.9Å; K193-F195 HydrophobicContact CG-CZ 4.39Å; F195-A201 WeakPolarHBondContact CA-O 3.35Å; F195-L202 HydrophobicContact CD1-CB 4.42Å; F195-L202 HydrophobicContact CD1-CD1 4.06Å; F195-L202 HydrophobicContact CE1-CB 4.44Å; F195-L202 HydrophobicContact CE1-CD1 3.8Å; F195-L202 HydrophobicContact CZ-CD1 4.32Å
196D97.4Very high97.3Very high14 Ų1445.5 Ų45.58%0.07522%0.224CC..EExtended strand (participates in β ladder)trans-90.4117.4169.8-177.5-35000108.6R198 N199 M200 A201 R203D196-R198 WeakPolarHBondContact OD1-CA 3.46Å; D196-R198 VanDerWaalsContact OD1-CB 3.28Å; D196-R198 WeakPolarHBondContact OD1-CB 3.37Å; D196-R198 PolarHBondContact OD1-N 3.17Å; D196-N199 HydrophobicContact CB-CB 4.48Å; D196-N199 PolarHBondContact OD1-N 2.78Å; D196-N199 PolarHBondContact OD2-ND2 3.36Å; D196-M200 VanDerWaalsContact O-CA 3.22Å; D196-M200 WeakPolarHBondContact O-CA 3.13Å; D196-M200 PolarHBondContact O-N 2.86Å; D196-A201 PolarHBondContact N-O 3.48Å; D196-A201 PolarHBondContact O-N 2.79Å; D196-A201 VanDerWaalsContact O-N 3.12Å; D196-R203 HydrophobicContact CB-CB 4.29Å
197L97.1Very high97.3Very high28 Ų2849 Ų4915%0.14724%0.243CC..THydrogen-bonded Turntrans-80.7-19.7-176.7-60.3-171.7000113V143 A154 M156 F172 R181 V183 M200V143-L197 HydrophobicContact CG1-CD1 4.46Å; V143-L197 HydrophobicContact CG2-CD1 4.06Å; V143-L197 HydrophobicContact CG2-CD2 4.23Å; A154-L197 HydrophobicContact CB-CD2 4.42Å; M156-L197 HydrophobicContact SD-CD2 4.31Å; F172-L197 HydrophobicContact CE1-CD1 4.07Å; R181-L197 HydrophobicContact CB-CB 4.42Å; R181-L197 HydrophobicContact CB-CD1 4.27Å; R181-L197 HydrophobicContact CG-CD1 3.93Å; R181-L197 PolarHBondContact O-N 3.03Å; V183-L197 HydrophobicContact CG2-CD1 3.93Å; V183-L197 HydrophobicContact CG2-CD2 4.14Å; V183-L197 HydrophobicContact CG2-CG 4.25Å; L197-M200 VanDerWaalsContact O-SD 3.41Å
198R94.8Very high97.2Very high121 Ų12149.1 Ų49.146%0.45724%0.244SC..THydrogen-bonded Turntrans-71.1-47174.6179.3-170.7177.4133.820.1110.1E179 E180 D196E179-R198 IonicContact OE2-CZ 2.7Å; E179-R198 IonicContact OE2-NH1 3.11Å; E179-R198 PolarHBondContact OE2-NH1 2.81Å; E179-R198 IonicContact OE2-NH2 3.03Å; E179-R198 PolarHBondContact OE2-NH2 3.46Å; E180-R198 IonicContact OE1-CZ 3.25Å; E180-R198 IonicContact OE1-NH1 3.92Å; E180-R198 PolarHBondContact OE1-NH1 3.27Å; D196-R198 WeakPolarHBondContact OD1-CA 3.46Å; D196-R198 VanDerWaalsContact OD1-CB 3.28Å; D196-R198 WeakPolarHBondContact OD1-CB 3.37Å; D196-R198 PolarHBondContact OD1-N 3.17Å
199N93.4Very high97.2Very high105 Ų10555 Ų5556%0.56127%0.267SS*.THydrogen-bonded Turntrans-92.8-5-176.8-63-51.3000113D196 A201D196-N199 HydrophobicContact CB-CB 4.48Å; D196-N199 PolarHBondContact OD1-N 2.78Å; D196-N199 PolarHBondContact OD2-ND2 3.36Å; N199-A201 HydrophobicContact CB-CB 4.22Å; N199-A201 PolarHBondContact O-N 2.97Å
200M93.5Very high97.1Very high115 Ų11554.5 Ų54.557%0.56726%0.264SS*.THydrogen-bonded Turntrans48.845.2-174.8-66.4-60.6-69.600112.2A154 D196 L197A154-M200 HydrophobicContact CB-CE 3.51Å; A154-M200 HydrophobicContact CB-SD 4.07Å; D196-M200 VanDerWaalsContact O-CA 3.22Å; D196-M200 WeakPolarHBondContact O-CA 3.13Å; D196-M200 PolarHBondContact O-N 2.86Å; L197-M200 VanDerWaalsContact O-SD 3.41Å
201A94.7Very high97.1Very high44 Ų4454.5 Ų54.536%0.36427%0.265SS..EExtended strand (participates in β ladder)trans-132.1150.1-170.400000112.4F195 D196 N199 R203F195-A201 WeakPolarHBondContact CA-O 3.35Å; D196-A201 PolarHBondContact N-O 3.48Å; D196-A201 PolarHBondContact O-N 2.79Å; D196-A201 VanDerWaalsContact O-N 3.12Å; N199-A201 HydrophobicContact CB-CB 4.22Å; N199-A201 PolarHBondContact O-N 2.97Å; A201-R203 PolarHBondContact O-N 2.99Å
202L96.3Very high97.2Very high84 Ų8453.2 Ų53.244%0.4426%0.258SS..EExtended strand (participates in β ladder)trans-71.9109.2167179.766.4000108.8K193 F195 W204 E205K193-L202 HydrophobicContact CB-CD1 3.84Å; K193-L202 HydrophobicContact CG-CD1 4.24Å; F195-L202 HydrophobicContact CD1-CB 4.42Å; F195-L202 HydrophobicContact CD1-CD1 4.06Å; F195-L202 HydrophobicContact CE1-CB 4.44Å; F195-L202 HydrophobicContact CE1-CD1 3.8Å; F195-L202 HydrophobicContact CZ-CD1 4.32Å; L202-W204 WeakPolarHBondContact CD1-O 3.3Å; L202-E205 HydrophobicContact CD1-CB 4.49Å; L202-E205 HydrophobicContact CD2-CB 4.28Å
203R96.9Very high97.2Very high88 Ų8854.1 Ų54.133%0.33226%0.264SS..EExtended strand (participates in β ladder)trans-84-37.5-178176175.1174.5163.20.1112.8L194 D196 A201 Q244L194-R203 HydrophobicContact CD2-CG 4.34Å; L194-R203 HydrophobicContact CG-CB 4.47Å; L194-R203 WeakPolarHBondContact O-CB 3.3Å; L194-R203 PolarHBondContact O-N 3.16Å; D196-R203 HydrophobicContact CB-CB 4.29Å; A201-R203 PolarHBondContact O-N 2.99Å; R203-Q244 PolarHBondContact O-NE2 3.2Å
204W98.3Very high97.2Very high20 Ų2052.2 Ų52.28%0.07626%0.256CS..EExtended strand (participates in β ladder)trans-155.4145.4-178.7172.961.7000110.7I192 L194 L202 T206 L227 F239 M241 F250I192-W204 HydrophobicContact CG2-CH2 4.48Å; I192-W204 HydrophobicContact CG2-CZ3 3.91Å; L194-W204 HydrophobicContact CB-CB 4.1Å; L194-W204 HydrophobicContact CB-CE3 4.05Å; L194-W204 HydrophobicContact CD2-CB 4.22Å; L194-W204 HydrophobicContact CD2-CE3 4.41Å; L194-W204 PolarHBondContact N-O 3.05Å; L194-W204 PolarHBondContact O-N 2.85Å; L202-W204 WeakPolarHBondContact CD1-O 3.3Å; W204-T206 HydrophobicContact CH2-CG2 3.36Å; W204-T206 HydrophobicContact CZ2-CG2 3.25Å; W204-T206 HydrophobicContact CZ3-CG2 4.22Å; W204-L227 HydrophobicContact CZ3-CD2 4.29Å; W204-F239 AromaticContact CH2-CD1 3.66Å; W204-F239 HydrophobicContact CH2-CD1 3.66Å; W204-F239 HydrophobicContact CH2-CD2 4.4Å; W204-F239 AromaticContact CH2-CE1 3.62Å; W204-F239 HydrophobicContact CH2-CE1 3.62Å; W204-F239 HydrophobicContact CH2-CE2 4.34Å; W204-F239 HydrophobicContact CH2-CG 4.09Å; W204-F239 AromaticContact CH2-CZ 3.98Å; W204-F239 HydrophobicContact CH2-CZ 3.98Å; W204-F239 HydrophobicContact CZ2-CD1 4Å; W204-F239 AromaticContact CZ2-CE1 3.87Å; W204-F239 HydrophobicContact CZ2-CE1 3.87Å; W204-M241 HydrophobicContact CE3-CE 4.12Å; W204-M241 HydrophobicContact CH2-CE 4.19Å; W204-M241 HydrophobicContact CZ3-CE 3.6Å; W204-F250 HydrophobicContact CB-CE2 4Å; W204-F250 AromaticContact CD2-CD2 3.55Å; W204-F250 HydrophobicContact CD2-CD2 3.55Å; W204-F250 AromaticContact CD2-CE2 3.88Å; W204-F250 HydrophobicContact CD2-CE2 3.88Å; W204-F250 AromaticContact CE2-CD2 3.74Å; W204-F250 AromaticContact CE3-CD2 3.88Å; W204-F250 HydrophobicContact CE3-CD2 3.88Å; W204-F250 HydrophobicContact CE3-CE2 4.12Å; W204-F250 AromaticContact CG-CD2 3.85Å; W204-F250 HydrophobicContact CG-CD2 3.85Å; W204-F250 AromaticContact CG-CE2 3.83Å; W204-F250 HydrophobicContact CG-CE2 3.83Å; W204-F250 HydrophobicContact CH2-CD2 4.43Å; W204-F250 HydrophobicContact CZ2-CB 4.49Å; W204-F250 HydrophobicContact CZ2-CD2 4.16Å; W204-F250 HydrophobicContact CZ3-CD2 4.32Å
205E97.8Very high97.2Very high83 Ų8352.4 Ų52.439%0.38826%0.257SS..EExtended strand (participates in β ladder)trans-138.4144.3173.5177.6165.5-157.600110.2I192 K193 L202I192-E205 VanDerWaalsContact O-CA 3.31Å; I192-E205 WeakPolarHBondContact O-CA 3.41Å; K193-E205 VanDerWaalsContact CE-OE1 3.28Å; K193-E205 WeakPolarHBondContact CE-OE1 3.27Å; K193-E205 HydrophobicContact CG-CG 4.16Å; K193-E205 IonicContact NZ-OE1 2.9Å; K193-E205 PolarHBondContact NZ-OE1 2.89Å; K193-E205 IonicContact NZ-OE2 2.62Å; K193-E205 PolarHBondContact NZ-OE2 2.78Å; L202-E205 HydrophobicContact CD1-CB 4.49Å; L202-E205 HydrophobicContact CD2-CB 4.28Å
206T98.5Very high97.2Very high45 Ų4552.3 Ų52.328%0.27626%0.257SS..EExtended strand (participates in β ladder)trans-150.1169.3169.9-166.60000110.4D191 I192 W204 F239D191-T206 WeakPolarHBondContact CA-O 3.43Å; I192-T206 HydrophobicContact CB-CG2 3.92Å; I192-T206 HydrophobicContact CD1-CG2 4.2Å; I192-T206 HydrophobicContact CG1-CG2 4.42Å; I192-T206 PolarHBondContact N-O 2.79Å; I192-T206 PolarHBondContact O-N 3.39Å; W204-T206 HydrophobicContact CH2-CG2 3.36Å; W204-T206 HydrophobicContact CZ2-CG2 3.25Å; W204-T206 HydrophobicContact CZ3-CG2 4.22Å; T206-F239 HydrophobicContact CG2-CE1 4.41Å; T206-F239 HydrophobicContact CG2-CZ 4.29Å
207N98.3Very high97.3Very high74 Ų7451.9 Ų51.940%0.39626%0.255SS..EExtended strand (participates in β ladder)trans-129.1124.8173.3-178.5-80000110.4N189 G190 D191 K209N189-N207 PolarHBondContact O-ND2 3.02Å; G190-N207 WeakPolarHBondContact O-CA 3.47Å; D191-N207 PolarHBondContact N-ND2 2.69Å; D191-N207 PolarHBondContact OD1-ND2 2.62Å; N207-K209 VanDerWaalsContact OD1-CA 3.23Å; N207-K209 WeakPolarHBondContact OD1-CA 3.49Å; N207-K209 PolarHBondContact OD1-N 2.88Å
208I97.9Very high97.3Very high14 Ų1450.6 Ų50.67%0.07225%0.248CC..  trans-98.819.5179.365.2163.8000113.2G190 I192 N210 V212 A229 F239G190-I208 WeakPolarHBondContact O-CG1 3.48Å; G190-I208 PolarHBondContact O-N 2.84Å; I192-I208 HydrophobicContact CD1-CD1 4.22Å; I192-I208 HydrophobicContact CD1-CG1 4.32Å; I192-I208 HydrophobicContact CD1-CG2 3.82Å; I208-N210 PolarHBondContact O-N 2.94Å; I208-V212 HydrophobicContact CD1-CG2 3.79Å; I208-V212 HydrophobicContact CG1-CG2 3.84Å; I208-A229 HydrophobicContact CD1-CB 4.27Å; I208-F239 HydrophobicContact CG2-CZ 4.1Å
209K96.9Very high97.5Very high178 Ų17847.2 Ų47.277%0.77424%0.235SC*.SBendtrans68.6-30.9175.7-53.1-179.7178.3-177.60116.7N207N207-K209 VanDerWaalsContact OD1-CA 3.23Å; N207-K209 WeakPolarHBondContact OD1-CA 3.49Å; N207-K209 PolarHBondContact OD1-N 2.88Å
210N97.1Very high97.7Very high33 Ų3344.4 Ų44.418%0.17622%0.218CC..SBendtrans-120.5146.7-177-73.9-37.6000110G190 I208 V212 L232 E233G190-N210 WeakPolarHBondContact CA-O 3.46Å; I208-N210 PolarHBondContact O-N 2.94Å; N210-V212 PolarHBondContact O-N 3.41Å; N210-L232 HydrophobicContact CB-CB 4.19Å; N210-E233 PolarHBondContact ND2-OE2 2.82Å
211G98.2Very high97.9Very high1 Ų142 Ų421%0.0121%0.207CC..  trans-49.1131.5-178.700000114Y187 D188 C213 S231 L232Y187-G211 WeakPolarHBondContact O-CA 3.4Å; D188-G211 WeakPolarHBondContact O-CA 3.22Å; D188-G211 PolarHBondContact O-N 2.92Å; G211-C213 PolarHBondContact O-N 2.81Å; G211-S231 VanDerWaalsContact O-CA 3.31Å; G211-S231 WeakPolarHBondContact O-CA 3.34Å; G211-L232 PolarHBondContact O-N 2.97Å
212V98.8Very high98.1Very high0 Ų042 Ų420%020%0.2CC..EExtended strand (participates in β ladder)trans-84106.6-173.7-170.70000109.3W168 T169 Y187 D191 I192 I208 N210 L215 A229 T230W168-V212 VanDerWaalsContact CB-O 3.3Å; W168-V212 WeakPolarHBondContact CB-O 3.27Å; T169-V212 HydrophobicContact CG2-CB 4.38Å; T169-V212 HydrophobicContact CG2-CG1 3.86Å; Y187-V212 PolarHBondContact O-N 2.68Å; D191-V212 WeakPolarHBondContact O-CG2 3.04Å; I192-V212 HydrophobicContact CD1-CG2 4.38Å; I192-V212 HydrophobicContact CG1-CG1 4.36Å; I192-V212 HydrophobicContact CG1-CG2 3.77Å; I208-V212 HydrophobicContact CD1-CG2 3.79Å; I208-V212 HydrophobicContact CG1-CG2 3.84Å; N210-V212 PolarHBondContact O-N 3.41Å; V212-L215 HydrophobicContact CG1-CD1 4.4Å; V212-L215 HydrophobicContact CG1-CD2 4.03Å; V212-L215 HydrophobicContact CG1-CG 3.87Å; V212-A229 HydrophobicContact CG1-CB 4.3Å; V212-T230 CarbonylContact C-O 3.58Å; V212-T230 WeakPolarHBondContact CA-O 3.03Å
213C98.5Very high98.2Very high20 Ų2040.2 Ų40.214%0.13520%0.195CC..EExtended strand (participates in β ladder)trans-80.6-35.2-173.1-62.20000112.4G211 T230 T261 V262G211-C213 PolarHBondContact O-N 2.81Å; C213-T230 PolarHBondContact N-O 3.49Å; C213-T261 VanDerWaalsContact SG-CG2 3.55Å; C213-V262 VanDerWaalsContact CB-O 3.23Å; C213-V262 WeakPolarHBondContact CB-O 3.4Å
214S98.8Very high98.3Very high1 Ų136.2 Ų36.21%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-152.7138.8-178.9-175.80000111.3T169 A229 T230 Q264 V265T169-S214 WeakPolarHBondContact OG1-CA 3.33Å; S214-A229 CarbonylContact O-C 3.57Å; S214-A229 WeakPolarHBondContact O-CA 3.27Å; S214-T230 VanDerWaalsContact CB-OG1 3.28Å; S214-T230 WeakPolarHBondContact CB-OG1 3.43Å; S214-T230 PolarHBondContact N-OG1 3.19Å; S214-T230 PolarHBondContact O-N 3.3Å; S214-Q264 VanDerWaalsContact CB-OE1 3.25Å; S214-Q264 PolarHBondContact OG-OE1 2.84Å; S214-V265 PolarHBondContact OG-N 3.06Å
215L98.9Very high98.3Very high5 Ų535.2 Ų35.23%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-120.3137.6169.8-74.1171.5000109.3T169 A171 C184 A185 G186 I192 V212 L227 V228 A229T169-L215 HydrophobicContact CG2-CB 3.99Å; T169-L215 HydrophobicContact CG2-CD1 3.84Å; T169-L215 HydrophobicContact CG2-CG 3.64Å; T169-L215 PolarHBondContact OG1-N 3.31Å; A171-L215 HydrophobicContact CB-CB 4.15Å; C184-L215 HydrophobicContact CB-CD1 4.27Å; A185-L215 VanDerWaalsContact C-CD1 3.42Å; G186-L215 VanDerWaalsContact N-CD1 3.35Å; I192-L215 HydrophobicContact CD1-CD2 4.25Å; I192-L215 HydrophobicContact CG2-CD1 4.31Å; I192-L215 HydrophobicContact CG2-CD2 4.33Å; V212-L215 HydrophobicContact CG1-CD1 4.4Å; V212-L215 HydrophobicContact CG1-CD2 4.03Å; V212-L215 HydrophobicContact CG1-CG 3.87Å; L215-L227 HydrophobicContact CB-CD1 4.43Å; L215-L227 HydrophobicContact CD2-CD1 4.19Å; L215-L227 HydrophobicContact CD2-CD2 4.06Å; L215-L227 HydrophobicContact CD2-CG 4.23Å; L215-V228 WeakPolarHBondContact CA-O 3.38Å; L215-A229 HydrophobicContact CD2-CB 3.45Å; L215-A229 VanDerWaalsContact CD2-CB 3.45Å
216E98.9Very high98.3Very high26 Ų2631.3 Ų31.312%0.12116%0.158CC..EExtended strand (participates in β ladder)trans-151.2128.2169-157.2-172.3-127.600111.5V228 V265 R266 H267E216-V228 PolarHBondContact N-O 3.04Å; E216-V228 PolarHBondContact O-N 2.72Å; E216-V265 HydrophobicContact CB-CG1 3.86Å; E216-R266 WeakPolarHBondContact OE1-CD 3.19Å; E216-R266 IonicContact OE1-CZ 2.76Å; E216-R266 IonicContact OE1-NE 3.8Å; E216-R266 IonicContact OE1-NH1 3.82Å; E216-R266 PolarHBondContact OE1-NH1 2.68Å; E216-R266 WeakPolarHBondContact OE2-CA 3.49Å; E216-H267 IonicContact OE2-CE1 3.24Å; E216-H267 IonicContact OE2-CG 3.57Å; E216-H267 PolarHBondContact OE2-N 3.23Å; E216-H267 IonicContact OE2-ND1 2.92Å; E216-H267 PolarHBondContact OE2-ND1 3.03Å
217F98.9Very high98.3Very high5 Ų529.1 Ų29.12%0.02215%0.145CC..EExtended strand (participates in β ladder)trans-70.7144.8165.1-74-82.4000109.9A171 F172 V182 C184 L194 R219 M224 K226 L227 M241A171-F217 HydrophobicContact CB-CD2 4.32Å; F172-F217 VanDerWaalsContact O-CD2 3.32Å; F172-F217 WeakPolarHBondContact O-CD2 3.3Å; V182-F217 HydrophobicContact CG2-CE2 4.04Å; V182-F217 HydrophobicContact CG2-CZ 3.85Å; C184-F217 HydrophobicContact CB-CE2 3.74Å; C184-F217 HydrophobicContact CB-CZ 4.09Å; L194-F217 HydrophobicContact CD1-CE2 4.49Å; L194-F217 HydrophobicContact CD1-CZ 3.83Å; F217-R219 PolarHBondContact O-N 2.79Å; F217-M224 HydrophobicContact CD1-CG 4.41Å; F217-M224 HydrophobicContact CE1-CB 4.2Å; F217-M224 HydrophobicContact CE1-CG 3.86Å; F217-M224 HydrophobicContact CE1-SD 3.65Å; F217-M224 HydrophobicContact CZ-CG 4.45Å; F217-M224 HydrophobicContact CZ-SD 3.86Å; F217-K226 WeakPolarHBondContact CA-O 3.26Å; F217-L227 HydrophobicContact CD1-CB 4.14Å; F217-L227 HydrophobicContact CD1-CD1 4.11Å; F217-L227 HydrophobicContact CD2-CD1 3.99Å; F217-L227 HydrophobicContact CE1-CB 4.12Å; F217-L227 HydrophobicContact CE1-CD1 4.15Å; F217-L227 HydrophobicContact CE2-CD1 4.04Å; F217-L227 HydrophobicContact CG-CD1 4.04Å; F217-L227 HydrophobicContact CZ-CD1 4.12Å; F217-M241 HydrophobicContact CE1-CG 4.27Å
218D98.6Very high98.4Very high1 Ų125.6 Ų25.61%0.00513%0.126CC..SBendtrans-62.7-28.5179.869.5-36.4000113N225 K226 R272D218-N225 WeakPolarHBondContact OD1-CB 3.32Å; D218-N225 PolarHBondContact OD2-ND2 3.22Å; D218-K226 HydrophobicContact CB-CB 4.03Å; D218-K226 PolarHBondContact N-O 2.88Å; D218-K226 PolarHBondContact OD1-N 3.03Å; D218-K226 IonicContact OD2-NZ 3.75Å; D218-K226 PolarHBondContact OD2-NZ 2.93Å; D218-R272 HydrophobicContact CB-CB 4.14Å; D218-R272 WeakPolarHBondContact OD2-CD 3.08Å; D218-R272 IonicContact OD2-NE 2.79Å
219R98.3Very high98.4Very high50 Ų5025 Ų2519%0.18912%0.123CC..  trans-149.3145.3165.8-72-60.4179.4-95.21.4109.8F217 I222 L268 P269 N271 R272F217-R219 PolarHBondContact O-N 2.79Å; R219-I222 HydrophobicContact CB-CD1 3.64Å; R219-I222 HydrophobicContact CB-CG1 3.64Å; R219-I222 HydrophobicContact CB-CG2 4.44Å; R219-I222 HydrophobicContact CG-CD1 4.07Å; R219-L268 VanDerWaalsContact CZ-O 3.29Å; R219-L268 PolarHBondContact NH1-O 2.93Å; R219-L268 PolarHBondContact NH2-O 3.47Å; R219-P269 VanDerWaalsContact CZ-O 3.24Å; R219-P269 PolarHBondContact NH2-O 2.75Å; R219-N271 VanDerWaalsContact NH2-N 3.12Å; R219-R272 HydrophobicContact CG-CB 3.96Å; R219-R272 VanDerWaalsContact NH1-CA 3.34Å
220K97.7Very high98.5Very high46 Ų4616.5 Ų16.520%0.29%0.086CC..SBendtrans-82.7-35.7-178.1-67-177.2170.8178.50113.2D118 G119 V120 G173 N174 A175D118-K220 IonicContact OD1-NZ 3.56Å; D118-K220 PolarHBondContact OD1-NZ 3.27Å; D118-K220 WeakPolarHBondContact OD2-CE 3.21Å; D118-K220 IonicContact OD2-NZ 2.66Å; D118-K220 PolarHBondContact OD2-NZ 3.15Å; D118-K220 VanDerWaalsContact OD2-NZ 3.11Å; G119-K220 PolarHBondContact O-NZ 2.93Å; V120-K220 HydrophobicContact CG2-CB 4.43Å; G173-K220 CarbonylContact C-O 3.6Å; N174-K220 PolarHBondContact N-O 3.27Å; A175-K220 WeakPolarHBondContact CB-O 3.17Å; A175-K220 PolarHBondContact N-O 2.94Å
221D97.7Very high98.5Very high63 Ų6315 Ų1534%0.3378%0.078SC..SBendtrans-103.116.3-16360.7-23.6000113.5I125 Y176I125-D221 HydrophobicContact CG2-CB 4.21Å; Y176-D221 WeakPolarHBondContact CA-O 3.47Å; Y176-D221 VanDerWaalsContact CB-O 3.31Å; Y176-D221 WeakPolarHBondContact CB-O 3.28Å
222I98.4Very high98.4Very high44 Ų4417.6 Ų17.623%0.2269%0.092CC..SBendtrans-122.3160.9172.967.4175.6000109.2N174 R219 M224 N225N174-I222 WeakPolarHBondContact CA-O 3.24Å; R219-I222 HydrophobicContact CB-CD1 3.64Å; R219-I222 HydrophobicContact CB-CG1 3.64Å; R219-I222 HydrophobicContact CB-CG2 4.44Å; R219-I222 HydrophobicContact CG-CD1 4.07Å; I222-M224 PolarHBondContact O-N 2.98Å; I222-N225 HydrophobicContact CD1-CB 3.98Å
223S98.4Very high98.1Very high48 Ų4823 Ų2334%0.33612%0.117SC..SBendtrans-54.1128.7165.4177.20000109.8N174 N225 R242N174-S223 WeakPolarHBondContact OD1-CA 3.37Å; S223-N225 PolarHBondContact O-N 2.86Å; S223-R242 PolarHBondContact O-NH2 2.99Å
224M98.6Very high97.9Very high3 Ų322 Ų222%0.01511%0.11CC..  trans-44.3128.3-168-59.7-174.3-66.800111.7N174 V182 L194 F217 I222 M241 R242N174-M224 HydrophobicContact CB-CG 3.58Å; N174-M224 HydrophobicContact CB-SD 4.3Å; N174-M224 PolarHBondContact OD1-N 3.07Å; V182-M224 HydrophobicContact CG1-SD 4.34Å; V182-M224 HydrophobicContact CG2-CG 4.42Å; V182-M224 HydrophobicContact CG2-SD 3.76Å; L194-M224 HydrophobicContact CD1-SD 4.42Å; L194-M224 HydrophobicContact CD2-CE 4.18Å; L194-M224 HydrophobicContact CD2-SD 4.05Å; F217-M224 HydrophobicContact CD1-CG 4.41Å; F217-M224 HydrophobicContact CE1-CB 4.2Å; F217-M224 HydrophobicContact CE1-CG 3.86Å; F217-M224 HydrophobicContact CE1-SD 3.65Å; F217-M224 HydrophobicContact CZ-CG 4.45Å; F217-M224 HydrophobicContact CZ-SD 3.86Å; I222-M224 PolarHBondContact O-N 2.98Å; M224-M241 HydrophobicContact CB-CB 3.67Å; M224-R242 WeakPolarHBondContact O-CD 3.31Å; M224-R242 PolarHBondContact O-NE 3.28Å
225N98.8Very high97.8Very high0 Ų025.8 Ų25.80%013%0.126CC..  trans-118.8-56.5-175.9-178.360.1000112.3D218 I222 S223 M241 R272 Y291 R295D218-N225 WeakPolarHBondContact OD1-CB 3.32Å; D218-N225 PolarHBondContact OD2-ND2 3.22Å; I222-N225 HydrophobicContact CD1-CB 3.98Å; S223-N225 PolarHBondContact O-N 2.86Å; N225-M241 PolarHBondContact O-N 3.33Å; N225-R272 PolarHBondContact ND2-NE 2.66Å; N225-Y291 PolarHBondContact ND2-OH 3.07Å; N225-R295 PolarHBondContact O-NH2 3.19Å; N225-R295 PolarHBondContact OD1-NH1 2.7Å; N225-R295 PolarHBondContact OD1-NH2 3.21Å
226K98.7Very high97.8Very high0 Ų025.6 Ų25.60%013%0.125CC..EExtended strand (participates in β ladder)trans-136.8148.9170.5-61.3179.9-57.3-62.40110.7F217 D218 V238 F239 R272 E273 Y289 Y291F217-K226 WeakPolarHBondContact CA-O 3.26Å; D218-K226 HydrophobicContact CB-CB 4.03Å; D218-K226 PolarHBondContact N-O 2.88Å; D218-K226 PolarHBondContact OD1-N 3.03Å; D218-K226 IonicContact OD2-NZ 3.75Å; D218-K226 PolarHBondContact OD2-NZ 2.93Å; K226-V238 HydrophobicContact CB-CG1 4.4Å; K226-V238 HydrophobicContact CD-CG1 4.19Å; K226-F239 VanDerWaalsContact CA-O 3.29Å; K226-F239 WeakPolarHBondContact CA-O 3.41Å; K226-R272 PolarHBondContact NZ-O 3.14Å; K226-E273 VanDerWaalsContact CE-OE2 3.23Å; K226-E273 WeakPolarHBondContact CE-OE2 3.21Å; K226-E273 IonicContact NZ-OE1 3.96Å; K226-E273 IonicContact NZ-OE2 3.79Å; K226-E273 PolarHBondContact NZ-OE2 2.82Å; K226-Y289 HydrophobicContact CD-CD1 3.49Å; K226-Y289 VanDerWaalsContact CD-CD1 3.49Å; K226-Y289 HydrophobicContact CD-CD2 4.26Å; K226-Y289 HydrophobicContact CD-CE1 3.76Å; K226-Y289 HydrophobicContact CD-CE2 4.49Å; K226-Y289 HydrophobicContact CD-CG 3.74Å; K226-Y291 HydrophobicContact CD-CE1 4.31Å; K226-Y291 PolarHBondContact NZ-OH 3.23Å
227L98.9Very high97.8Very high0 Ų025.7 Ų25.70%013%0.126CC..EExtended strand (participates in β ladder)trans-123.3131.8167.4175.773.7000107.9C184 I192 W204 L215 F217 F239 M241C184-L227 HydrophobicContact CB-CD1 4.48Å; C184-L227 VanDerWaalsContact SG-CD2 3.52Å; I192-L227 HydrophobicContact CG2-CD2 4.5Å; W204-L227 HydrophobicContact CZ3-CD2 4.29Å; L215-L227 HydrophobicContact CB-CD1 4.43Å; L215-L227 HydrophobicContact CD2-CD1 4.19Å; L215-L227 HydrophobicContact CD2-CD2 4.06Å; L215-L227 HydrophobicContact CD2-CG 4.23Å; F217-L227 HydrophobicContact CD1-CB 4.14Å; F217-L227 HydrophobicContact CD1-CD1 4.11Å; F217-L227 HydrophobicContact CD2-CD1 3.99Å; F217-L227 HydrophobicContact CE1-CB 4.12Å; F217-L227 HydrophobicContact CE1-CD1 4.15Å; F217-L227 HydrophobicContact CE2-CD1 4.04Å; F217-L227 HydrophobicContact CG-CD1 4.04Å; F217-L227 HydrophobicContact CZ-CD1 4.12Å; L227-F239 HydrophobicContact CB-CB 4.43Å; L227-F239 HydrophobicContact CD2-CD2 4.43Å; L227-F239 PolarHBondContact N-O 2.92Å; L227-F239 PolarHBondContact O-N 3.14Å; L227-M241 HydrophobicContact CB-CE 3.31Å; L227-M241 HydrophobicContact CB-CG 3.84Å; L227-M241 HydrophobicContact CB-SD 4.4Å; L227-M241 HydrophobicContact CD2-CE 3.2Å; L227-M241 HydrophobicContact CG-CE 3.87Å
228V98.9Very high97.8Very high0 Ų025.5 Ų25.50%013%0.125CC..EExtended strand (participates in β ladder)trans-105.6131.1170.4-176.40000109.2L215 E216 T230 F236 H237 V238 V265 H267L215-V228 WeakPolarHBondContact CA-O 3.38Å; E216-V228 PolarHBondContact N-O 3.04Å; E216-V228 PolarHBondContact O-N 2.72Å; V228-T230 HydrophobicContact CG1-CG2 4.48Å; V228-F236 HydrophobicContact CG1-CD2 3.96Å; V228-H237 CarbonylContact C-O 3.56Å; V228-H237 VanDerWaalsContact CA-O 3.3Å; V228-H237 WeakPolarHBondContact CA-O 3.33Å; V228-V238 HydrophobicContact CG2-CB 4.48Å; V228-V238 HydrophobicContact CG2-CG1 4.12Å; V228-V238 HydrophobicContact CG2-CG2 4.05Å; V228-V265 HydrophobicContact CB-CB 4.44Å; V228-V265 HydrophobicContact CB-CG1 4.09Å; V228-V265 HydrophobicContact CB-CG2 3.91Å; V228-V265 HydrophobicContact CG1-CB 4.07Å; V228-V265 HydrophobicContact CG1-CG1 4.06Å; V228-V265 HydrophobicContact CG1-CG2 3.75Å; V228-V265 HydrophobicContact CG2-CG2 4.41Å; V228-H267 VanDerWaalsContact CG2-CE1 3.46Å; V228-H267 WeakPolarHBondContact CG2-CE1 3.23Å
229A98.9Very high97.8Very high0 Ų025.7 Ų25.70%013%0.126CC..EExtended strand (participates in β ladder)trans-117.6124.6172.900000109.5I192 I208 V212 S214 L215 F236 H237 F239I192-A229 HydrophobicContact CD1-CB 3.56Å; I208-A229 HydrophobicContact CD1-CB 4.27Å; V212-A229 HydrophobicContact CG1-CB 4.3Å; S214-A229 CarbonylContact O-C 3.57Å; S214-A229 WeakPolarHBondContact O-CA 3.27Å; L215-A229 HydrophobicContact CD2-CB 3.45Å; L215-A229 VanDerWaalsContact CD2-CB 3.45Å; A229-F236 CarbonylContact O-C 3.58Å; A229-F236 WeakPolarHBondContact O-CA 3.23Å; A229-F236 WeakPolarHBondContact O-CB 3.43Å; A229-H237 PolarHBondContact N-O 3.18Å; A229-H237 PolarHBondContact O-N 3.49Å; A229-F239 HydrophobicContact CB-CE2 4Å
230T98.8Very high97.8Very high0 Ų023.3 Ų23.30%012%0.117CC..EExtended strand (participates in β ladder)trans-102.7150175.676.20000110.3V212 C213 S214 V228 F236 V262 V265V212-T230 CarbonylContact C-O 3.58Å; V212-T230 WeakPolarHBondContact CA-O 3.03Å; C213-T230 PolarHBondContact N-O 3.49Å; S214-T230 VanDerWaalsContact CB-OG1 3.28Å; S214-T230 WeakPolarHBondContact CB-OG1 3.43Å; S214-T230 PolarHBondContact N-OG1 3.19Å; S214-T230 PolarHBondContact O-N 3.3Å; V228-T230 HydrophobicContact CG1-CG2 4.48Å; T230-F236 HydrophobicContact CG2-CB 4.12Å; T230-V262 VanDerWaalsContact CB-O 3.27Å; T230-V262 WeakPolarHBondContact CB-O 3.37Å; T230-V262 HydrophobicContact CG2-CB 4.39Å; T230-V262 HydrophobicContact CG2-CG1 3.7Å; T230-V262 PolarHBondContact OG1-O 3.46Å; T230-V265 HydrophobicContact CG2-CB 3.66Å; T230-V265 HydrophobicContact CG2-CG1 3.84Å
231S97.9Very high97.9Very high1 Ų121.3 Ų21.31%0.00711%0.108CC..EExtended strand (participates in β ladder)trans-136174.9-176.8740000113.3G211 K235 V262G211-S231 VanDerWaalsContact O-CA 3.31Å; G211-S231 WeakPolarHBondContact O-CA 3.34Å; S231-K235 PolarHBondContact N-O 3.05Å; S231-K235 PolarHBondContact OG-O 3Å; S231-V262 PolarHBondContact O-N 3.21Å; S231-V262 VanDerWaalsContact O-N 3.08Å
232L95.4Very high97.9Very high57 Ų5724 Ų2430%0.29811%0.113SC..G310 helixtrans-57.2168161.5-52.6176.7000111W168 N210 G211 G234 T261W168-L232 HydrophobicContact CH2-CD1 4.18Å; W168-L232 HydrophobicContact CZ3-CD1 4.22Å; W168-L232 HydrophobicContact CZ3-CD2 4.2Å; W168-L232 HydrophobicContact CZ3-CG 4.23Å; N210-L232 HydrophobicContact CB-CB 4.19Å; G211-L232 PolarHBondContact O-N 2.97Å; L232-G234 PolarHBondContact O-N 3.23Å; L232-T261 HydrophobicContact CD2-CG2 3.74Å; L232-T261 WeakPolarHBondContact CD2-OG1 3.2Å
233E92.5Very high97.9Very high112 Ų11222.7 Ų22.752%0.52311%0.108SC..G310 helixtrans61.718.5-179.7-51.4-169.6142.100115.9N210 K235N210-E233 PolarHBondContact ND2-OE2 2.82Å; E233-K235 VanDerWaalsContact C-N 3.33Å; E233-K235 PolarHBondContact O-N 2.98Å
234G94Very high97.9Very high0 Ų023.3 Ų23.30%011%0.105CC..G310 helixtrans77.316.4172.100000115.1L232 K256 A257 H258 S260 V262L232-G234 PolarHBondContact O-N 3.23Å; G234-K256 CarbonylContact O-C 3.54Å; G234-K256 WeakPolarHBondContact O-CA 3.44Å; G234-A257 PolarHBondContact O-N 2.88Å; G234-H258 WeakPolarHBondContact CA-O 3.31Å; G234-H258 PolarHBondContact O-N 2.88Å; G234-S260 WeakPolarHBondContact CA-O 3.49Å; G234-S260 PolarHBondContact N-O 2.87Å; G234-V262 VanDerWaalsContact C-CG2 3.41Å
235K97.1Very high97.8Very high80 Ų8023.4 Ų23.435%0.34811%0.106SC..EExtended strand (participates in β ladder)trans-98.3153179.1-67.1176.3-176.8164.40112.5S231 E233 E255S231-K235 PolarHBondContact N-O 3.05Å; S231-K235 PolarHBondContact OG-O 3Å; E233-K235 VanDerWaalsContact C-N 3.33Å; E233-K235 PolarHBondContact O-N 2.98Å; K235-E255 CarbonylContact C-O 3.54Å; K235-E255 VanDerWaalsContact CA-O 3.27Å; K235-E255 WeakPolarHBondContact CA-O 3.27Å
236F98.5Very high97.7Very high1 Ų128.3 Ų28.30%0.00414%0.137CC..EExtended strand (participates in β ladder)trans-141.9158.9163.173.1-86000110.3V228 A229 T230 V238 S254 E255 A257 F275 W287 V311V228-F236 HydrophobicContact CG1-CD2 3.96Å; A229-F236 CarbonylContact O-C 3.58Å; A229-F236 WeakPolarHBondContact O-CA 3.23Å; A229-F236 WeakPolarHBondContact O-CB 3.43Å; T230-F236 HydrophobicContact CG2-CB 4.12Å; F236-V238 HydrophobicContact CD2-CG2 3.93Å; F236-V238 HydrophobicContact CE2-CG2 3.61Å; F236-S254 CarbonylContact O-C 3.54Å; F236-S254 VanDerWaalsContact O-CA 3.26Å; F236-S254 WeakPolarHBondContact O-CA 3.33Å; F236-E255 HydrophobicContact CD1-CB 4.07Å; F236-E255 HydrophobicContact CE1-CB 3.4Å; F236-E255 VanDerWaalsContact CE1-CB 3.4Å; F236-E255 HydrophobicContact CE1-CG 4.41Å; F236-E255 HydrophobicContact CE2-CB 4.38Å; F236-E255 HydrophobicContact CZ-CB 3.62Å; F236-E255 HydrophobicContact CZ-CG 4.21Å; F236-E255 PolarHBondContact N-O 3.2Å; F236-E255 PolarHBondContact O-N 2.69Å; F236-A257 HydrophobicContact CD1-CB 3.72Å; F236-A257 HydrophobicContact CE1-CB 3.71Å; F236-F275 HydrophobicContact CD2-CE2 4.4Å; F236-F275 AromaticContact CE2-CE2 3.8Å; F236-F275 HydrophobicContact CE2-CE2 3.8Å; F236-F275 AromaticContact CE2-CZ 3.77Å; F236-F275 HydrophobicContact CE2-CZ 3.77Å; F236-F275 HydrophobicContact CZ-CE2 4.12Å; F236-F275 HydrophobicContact CZ-CZ 4.18Å; F236-W287 HydrophobicContact CE1-CD2 4.31Å; F236-W287 AromaticContact CE1-CE2 3.97Å; F236-W287 HydrophobicContact CE1-CH2 4.3Å; F236-W287 AromaticContact CE1-CZ2 4Å; F236-W287 HydrophobicContact CE1-CZ2 4Å; F236-W287 HydrophobicContact CZ-CD2 4.03Å; F236-W287 HydrophobicContact CZ-CE3 4.21Å; F236-W287 HydrophobicContact CZ-CG 4.43Å; F236-W287 HydrophobicContact CZ-CZ2 4.49Å; F236-V311 HydrophobicContact CE2-CG1 4.44Å; F236-V311 HydrophobicContact CE2-CG2 4.4Å; F236-V311 HydrophobicContact CZ-CG2 3.99Å
237H98.8Very high97.6Very high29 Ų2934.2 Ų34.213%0.13417%0.174CC..EExtended strand (participates in β ladder)trans-122.9137.6178.5-65.8-102.3000109.5V228 A229 F239 V253V228-H237 CarbonylContact C-O 3.56Å; V228-H237 VanDerWaalsContact CA-O 3.3Å; V228-H237 WeakPolarHBondContact CA-O 3.33Å; A229-H237 PolarHBondContact N-O 3.18Å; A229-H237 PolarHBondContact O-N 3.49Å; H237-F239 HydrophobicContact CB-CD2 4.29Å; H237-F239 HydrophobicContact CB-CE2 3.57Å; H237-F239 HydrophobicContact CB-CZ 3.85Å; H237-V253 CarbonylContact C-O 3.52Å; H237-V253 WeakPolarHBondContact CA-O 3.48Å
238V98.9Very high97.4Very high0 Ų039.7 Ų39.70%020%0.198CC..EExtended strand (participates in β ladder)trans-112.7116.7169.2-1700000108.2K226 V228 F236 S252 V253 F275 Y289 V311K226-V238 HydrophobicContact CB-CG1 4.4Å; K226-V238 HydrophobicContact CD-CG1 4.19Å; V228-V238 HydrophobicContact CG2-CB 4.48Å; V228-V238 HydrophobicContact CG2-CG1 4.12Å; V228-V238 HydrophobicContact CG2-CG2 4.05Å; F236-V238 HydrophobicContact CD2-CG2 3.93Å; F236-V238 HydrophobicContact CE2-CG2 3.61Å; V238-S252 CarbonylContact O-C 3.56Å; V238-S252 WeakPolarHBondContact O-CA 3.44Å; V238-S252 WeakPolarHBondContact O-CB 3.47Å; V238-V253 HydrophobicContact CB-CG1 4.04Å; V238-V253 HydrophobicContact CG2-CG1 4.45Å; V238-V253 PolarHBondContact N-O 3.39Å; V238-V253 PolarHBondContact O-N 2.79Å; V238-F275 HydrophobicContact CG2-CZ 4.24Å; V238-Y289 HydrophobicContact CB-CD2 4.24Å; V238-Y289 HydrophobicContact CB-CE2 4.13Å; V238-Y289 HydrophobicContact CG1-CD2 3.69Å; V238-Y289 HydrophobicContact CG1-CE2 3.68Å; V238-V311 HydrophobicContact CG2-CG1 3.91Å
239F98.9Very high97.4Very high5 Ų540.1 Ų40.12%0.02220%0.202CC..EExtended strand (participates in β ladder)trans-96.8133.7178.3-61.2-90.4000110.3I192 W204 T206 I208 K226 L227 A229 H237 M241 F250 A251 S252I192-F239 HydrophobicContact CD1-CE2 4.09Å; I192-F239 HydrophobicContact CD1-CZ 4.25Å; W204-F239 AromaticContact CH2-CD1 3.66Å; W204-F239 HydrophobicContact CH2-CD1 3.66Å; W204-F239 HydrophobicContact CH2-CD2 4.4Å; W204-F239 AromaticContact CH2-CE1 3.62Å; W204-F239 HydrophobicContact CH2-CE1 3.62Å; W204-F239 HydrophobicContact CH2-CE2 4.34Å; W204-F239 HydrophobicContact CH2-CG 4.09Å; W204-F239 AromaticContact CH2-CZ 3.98Å; W204-F239 HydrophobicContact CH2-CZ 3.98Å; W204-F239 HydrophobicContact CZ2-CD1 4Å; W204-F239 AromaticContact CZ2-CE1 3.87Å; W204-F239 HydrophobicContact CZ2-CE1 3.87Å; T206-F239 HydrophobicContact CG2-CE1 4.41Å; T206-F239 HydrophobicContact CG2-CZ 4.29Å; I208-F239 HydrophobicContact CG2-CZ 4.1Å; K226-F239 VanDerWaalsContact CA-O 3.29Å; K226-F239 WeakPolarHBondContact CA-O 3.41Å; L227-F239 HydrophobicContact CB-CB 4.43Å; L227-F239 HydrophobicContact CD2-CD2 4.43Å; L227-F239 PolarHBondContact N-O 2.92Å; L227-F239 PolarHBondContact O-N 3.14Å; A229-F239 HydrophobicContact CB-CE2 4Å; H237-F239 HydrophobicContact CB-CD2 4.29Å; H237-F239 HydrophobicContact CB-CE2 3.57Å; H237-F239 HydrophobicContact CB-CZ 3.85Å; F239-M241 HydrophobicContact CB-CE 3.82Å; F239-M241 HydrophobicContact CB-CG 4.46Å; F239-M241 HydrophobicContact CB-SD 4.22Å; F239-M241 HydrophobicContact CG-CE 4.31Å; F239-M241 PolarHBondContact O-N 3.42Å; F239-F250 HydrophobicContact CB-CB 4.39Å; F239-F250 HydrophobicContact CD1-CB 4.33Å; F239-A251 CarbonylContact C-O 3.55Å; F239-A251 WeakPolarHBondContact CA-O 3.49Å; F239-S252 VanDerWaalsContact CD1-CB 3.43Å
240D98.6Very high97.4Very high0 Ų040.7 Ų40.70%021%0.205CC..EExtended strand (participates in β ladder)trans-79.7111.5165.7-169.6-46.8000108.9R242 F250 A251 R295D240-R242 WeakPolarHBondContact OD1-CB 3.38Å; D240-R242 PolarHBondContact OD1-N 2.97Å; D240-F250 WeakPolarHBondContact O-CD1 3.42Å; D240-A251 PolarHBondContact N-O 2.82Å; D240-R295 IonicContact OD1-CZ 2.72Å; D240-R295 IonicContact OD1-NE 3.55Å; D240-R295 IonicContact OD1-NH2 2.92Å; D240-R295 PolarHBondContact OD1-NH2 2.56Å; D240-R295 IonicContact OD2-CZ 2.79Å; D240-R295 VanDerWaalsContact OD2-CZ 3.24Å; D240-R295 IonicContact OD2-NE 3.25Å; D240-R295 PolarHBondContact OD2-NE 2.73Å; D240-R295 IonicContact OD2-NH2 3.08Å; D240-R295 PolarHBondContact OD2-NH2 3.22Å
241M98.6Very high97.4Very high4 Ų441.8 Ų41.82%0.0221%0.214CC..EExtended strand (participates in β ladder)trans-92.67.8-172.5-68.4-62-165.200114.3W204 F217 M224 N225 L227 F239 F250W204-M241 HydrophobicContact CE3-CE 4.12Å; W204-M241 HydrophobicContact CH2-CE 4.19Å; W204-M241 HydrophobicContact CZ3-CE 3.6Å; F217-M241 HydrophobicContact CE1-CG 4.27Å; M224-M241 HydrophobicContact CB-CB 3.67Å; N225-M241 PolarHBondContact O-N 3.33Å; L227-M241 HydrophobicContact CB-CE 3.31Å; L227-M241 HydrophobicContact CB-CG 3.84Å; L227-M241 HydrophobicContact CB-SD 4.4Å; L227-M241 HydrophobicContact CD2-CE 3.2Å; L227-M241 HydrophobicContact CG-CE 3.87Å; F239-M241 HydrophobicContact CB-CE 3.82Å; F239-M241 HydrophobicContact CB-CG 4.46Å; F239-M241 HydrophobicContact CB-SD 4.22Å; F239-M241 HydrophobicContact CG-CE 4.31Å; F239-M241 PolarHBondContact O-N 3.42Å; M241-F250 HydrophobicContact CE-CD2 4.14Å; M241-F250 HydrophobicContact CE-CE2 4.47Å; M241-F250 WeakPolarHBondContact O-CE1 3.34Å; M241-F250 HydrophobicContact SD-CB 4.2Å; M241-F250 HydrophobicContact SD-CD1 3.81Å; M241-F250 HydrophobicContact SD-CD2 3.45Å; M241-F250 WeakPolarHBondContact SD-CD2 3.17Å; M241-F250 HydrophobicContact SD-CE1 3.93Å; M241-F250 HydrophobicContact SD-CE2 3.61Å; M241-F250 HydrophobicContact SD-CG 3.54Å; M241-F250 VanDerWaalsContact SD-CG 3.54Å; M241-F250 HydrophobicContact SD-CZ 3.83Å
242R98.1Very high97.4Very high119 Ų11944.2 Ų44.245%0.44923%0.231SC..EExtended strand (participates in β ladder)trans-85.7-28.5-179.3-70.9-69175.1125.8-8.9114S223 M224 D240S223-R242 PolarHBondContact O-NH2 2.99Å; M224-R242 WeakPolarHBondContact O-CD 3.31Å; M224-R242 PolarHBondContact O-NE 3.28Å; D240-R242 WeakPolarHBondContact OD1-CB 3.38Å; D240-R242 PolarHBondContact OD1-N 2.97Å
243T98.2Very high97.6Very high17 Ų1742.9 Ų42.910%0.10423%0.225CC..EExtended strand (participates in β ladder)trans-128.4104.5-173.5-46.90000110F250 E304T243-F250 WeakPolarHBondContact O-CD1 3.46Å; T243-E304 HydrophobicContact CG2-CB 3.93Å
244Q98.2Very high97.8Very high62 Ų6240.7 Ų40.729%0.2922%0.222SC..EExtended strand (participates in β ladder)trans-96.4117.2177.4-166.7175.6-13.600109.8R203 F250R203-Q244 PolarHBondContact O-NE2 3.2Å; Q244-F250 HydrophobicContact CB-CD1 4.08Å; Q244-F250 HydrophobicContact CB-CE1 3.45Å; Q244-F250 VanDerWaalsContact CB-CE1 3.45Å; Q244-F250 HydrophobicContact CB-CE2 4.32Å; Q244-F250 HydrophobicContact CB-CZ 3.59Å; Q244-F250 HydrophobicContact CG-CD1 4.42Å; Q244-F250 HydrophobicContact CG-CD2 4.41Å; Q244-F250 HydrophobicContact CG-CE1 3.95Å; Q244-F250 HydrophobicContact CG-CE2 3.9Å; Q244-F250 HydrophobicContact CG-CZ 3.66Å
245H98.1Very high98Very high4 Ų444.3 Ų44.32%0.01924%0.239CC..EExtended strand (participates in β ladder)trans-79.6133.8166.5-170.8-79.7000109.3T247 K248 G249 D299 I303 E304 M305H245-T247 VanDerWaalsContact C-N 3.3Å; H245-T247 PolarHBondContact CE1-OG1 3.34Å; H245-T247 PolarHBondContact ND1-N 2.82Å; H245-T247 PolarHBondContact ND1-OG1 3.39Å; H245-T247 PolarHBondContact O-N 2.82Å; H245-T247 VanDerWaalsContact O-N 3.16Å; H245-K248 HydrophobicContact CB-CB 3.86Å; H245-K248 PolarHBondContact ND1-N 3.21Å; H245-K248 PolarHBondContact O-N 3.21Å; H245-G249 PolarHBondContact N-O 3.47Å; H245-G249 WeakPolarHBondContact O-CA 3.25Å; H245-G249 PolarHBondContact O-N 3.2Å; H245-D299 IonicContact NE2-OD2 3.2Å; H245-D299 PolarHBondContact NE2-OD2 3.23Å; H245-I303 WeakPolarHBondContact NE2-CG2 3.44Å; H245-E304 PolarHBondContact CD2-O 3.37Å; H245-M305 HydrophobicContact CB-CB 4.24Å
246P96.3Very high97.9Very high103 Ų10347.4 Ų47.467%0.66925%0.252SS*.THydrogen-bonded Turntrans-54.1-40.5-174.5-29.135.6000114.6
247T95.2Very high97.5Very high125 Ų12547.9 Ų47.977%0.76726%0.257SS*.THydrogen-bonded Turntrans-107.3-18.5-178.2570000115.1H245H245-T247 VanDerWaalsContact C-N 3.3Å; H245-T247 PolarHBondContact CE1-OG1 3.34Å; H245-T247 PolarHBondContact ND1-N 2.82Å; H245-T247 PolarHBondContact ND1-OG1 3.39Å; H245-T247 PolarHBondContact O-N 2.82Å; H245-T247 VanDerWaalsContact O-N 3.16Å
248K96.6Very high97.1Very high114 Ų11447.3 Ų47.350%0.49625%0.254SS..THydrogen-bonded Turntrans-103.5-10.4-176.2-61.3169.4-1771590111.8H245 D299 M305H245-K248 HydrophobicContact CB-CB 3.86Å; H245-K248 PolarHBondContact ND1-N 3.21Å; H245-K248 PolarHBondContact O-N 3.21Å; K248-D299 IonicContact NZ-OD2 3.19Å; K248-D299 PolarHBondContact NZ-OD2 2.98Å; K248-M305 HydrophobicContact CD-CE 3.27Å
249G97.9Very high96.5Very high9 Ų957.4 Ų57.49%0.09330%0.298CS..EExtended strand (participates in β ladder)trans70.3-142.4-179.900000112.8H245H245-G249 PolarHBondContact N-O 3.47Å; H245-G249 WeakPolarHBondContact O-CA 3.25Å; H245-G249 PolarHBondContact O-N 3.2Å
250F98.6Very high96.2Very high12 Ų1259.5 Ų59.55%0.05331%0.313CS..EExtended strand (participates in β ladder)trans-96.6140.4-178.9-65.6-74.7000111.8L194 W204 F239 D240 M241 T243 Q244L194-F250 HydrophobicContact CD2-CE2 4.27Å; W204-F250 HydrophobicContact CB-CE2 4Å; W204-F250 AromaticContact CD2-CD2 3.55Å; W204-F250 HydrophobicContact CD2-CD2 3.55Å; W204-F250 AromaticContact CD2-CE2 3.88Å; W204-F250 HydrophobicContact CD2-CE2 3.88Å; W204-F250 AromaticContact CE2-CD2 3.74Å; W204-F250 AromaticContact CE3-CD2 3.88Å; W204-F250 HydrophobicContact CE3-CD2 3.88Å; W204-F250 HydrophobicContact CE3-CE2 4.12Å; W204-F250 AromaticContact CG-CD2 3.85Å; W204-F250 HydrophobicContact CG-CD2 3.85Å; W204-F250 AromaticContact CG-CE2 3.83Å; W204-F250 HydrophobicContact CG-CE2 3.83Å; W204-F250 HydrophobicContact CH2-CD2 4.43Å; W204-F250 HydrophobicContact CZ2-CB 4.49Å; W204-F250 HydrophobicContact CZ2-CD2 4.16Å; W204-F250 HydrophobicContact CZ3-CD2 4.32Å; F239-F250 HydrophobicContact CB-CB 4.39Å; F239-F250 HydrophobicContact CD1-CB 4.33Å; D240-F250 WeakPolarHBondContact O-CD1 3.42Å; M241-F250 HydrophobicContact CE-CD2 4.14Å; M241-F250 HydrophobicContact CE-CE2 4.47Å; M241-F250 WeakPolarHBondContact O-CE1 3.34Å; M241-F250 HydrophobicContact SD-CB 4.2Å; M241-F250 HydrophobicContact SD-CD1 3.81Å; M241-F250 HydrophobicContact SD-CD2 3.45Å; M241-F250 WeakPolarHBondContact SD-CD2 3.17Å; M241-F250 HydrophobicContact SD-CE1 3.93Å; M241-F250 HydrophobicContact SD-CE2 3.61Å; M241-F250 HydrophobicContact SD-CG 3.54Å; M241-F250 VanDerWaalsContact SD-CG 3.54Å; M241-F250 HydrophobicContact SD-CZ 3.83Å; T243-F250 WeakPolarHBondContact O-CD1 3.46Å; Q244-F250 HydrophobicContact CB-CD1 4.08Å; Q244-F250 HydrophobicContact CB-CE1 3.45Å; Q244-F250 VanDerWaalsContact CB-CE1 3.45Å; Q244-F250 HydrophobicContact CB-CE2 4.32Å; Q244-F250 HydrophobicContact CB-CZ 3.59Å; Q244-F250 HydrophobicContact CG-CD1 4.42Å; Q244-F250 HydrophobicContact CG-CD2 4.41Å; Q244-F250 HydrophobicContact CG-CE1 3.95Å; Q244-F250 HydrophobicContact CG-CE2 3.9Å; Q244-F250 HydrophobicContact CG-CZ 3.66Å
251A98.5Very high96.1Very high23 Ų2360.6 Ų60.619%0.1932%0.32CS..EExtended strand (participates in β ladder)trans-67144.2173.300000110.6F239 D240 G306 A308F239-A251 CarbonylContact C-O 3.55Å; F239-A251 WeakPolarHBondContact CA-O 3.49Å; D240-A251 PolarHBondContact N-O 2.82Å; A251-G306 VanDerWaalsContact CB-O 3.25Å; A251-G306 WeakPolarHBondContact CB-O 3.39Å; A251-A308 HydrophobicContact CB-CB 4.33Å
252S98.6Very high96.1Very high52 Ų5260.4 Ų60.436%0.36432%0.319SS..EExtended strand (participates in β ladder)trans-143.6156.6179.873.30000113.2V238 F239 A308V238-S252 CarbonylContact O-C 3.56Å; V238-S252 WeakPolarHBondContact O-CA 3.44Å; V238-S252 WeakPolarHBondContact O-CB 3.47Å; F239-S252 VanDerWaalsContact CD1-CB 3.43Å; S252-A308 WeakPolarHBondContact O-CB 3.35Å
253V98.6Very high96.1Very high30 Ų3059 Ų5918%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-117.4141.2165.461.70000108.5H237 V238 Y289 A308 G309H237-V253 CarbonylContact C-O 3.52Å; H237-V253 WeakPolarHBondContact CA-O 3.48Å; V238-V253 HydrophobicContact CB-CG1 4.04Å; V238-V253 HydrophobicContact CG2-CG1 4.45Å; V238-V253 PolarHBondContact N-O 3.39Å; V238-V253 PolarHBondContact O-N 2.79Å; V253-Y289 HydrophobicContact CG1-CE2 4.13Å; V253-A308 HydrophobicContact CB-CB 4.22Å; V253-G309 WeakPolarHBondContact CB-O 3.39Å
254S97.9Very high96.1Very high66 Ų6659.3 Ų59.346%0.46231%0.314SS..EExtended strand (participates in β ladder)trans-118.3141.3178.5670000111.1F236F236-S254 CarbonylContact O-C 3.54Å; F236-S254 VanDerWaalsContact O-CA 3.26Å; F236-S254 WeakPolarHBondContact O-CA 3.33Å
255E97.8Very high96.1Very high76 Ų7656.3 Ų56.336%0.35530%0.3SS..EExtended strand (participates in β ladder)trans-131.9149.1177.3-86-54.3149.300112.3K235 F236 A257 V311K235-E255 CarbonylContact C-O 3.54Å; K235-E255 VanDerWaalsContact CA-O 3.27Å; K235-E255 WeakPolarHBondContact CA-O 3.27Å; F236-E255 HydrophobicContact CD1-CB 4.07Å; F236-E255 HydrophobicContact CE1-CB 3.4Å; F236-E255 VanDerWaalsContact CE1-CB 3.4Å; F236-E255 HydrophobicContact CE1-CG 4.41Å; F236-E255 HydrophobicContact CE2-CB 4.38Å; F236-E255 HydrophobicContact CZ-CB 3.62Å; F236-E255 HydrophobicContact CZ-CG 4.21Å; F236-E255 PolarHBondContact N-O 3.2Å; F236-E255 PolarHBondContact O-N 2.69Å; E255-A257 PolarHBondContact O-N 3.18Å; E255-V311 HydrophobicContact CB-CG2 4.19Å; E255-V311 HydrophobicContact CG-CG2 3.21Å
256K95.9Very high96.2Very high145 Ų14558.2 Ų58.263%0.6331%0.307SS*.EExtended strand (participates in β ladder)trans-97.285.8172.1-168173.4-175.5175.10109.4G234G234-K256 CarbonylContact O-C 3.54Å; G234-K256 WeakPolarHBondContact O-CA 3.44Å
257A90.1Very high96.3Very high11 Ų1153.7 Ų53.79%0.09128%0.277CS..  trans-70.7-44.5-176.400000113.8G234 F236 E255 V262 H285 W287G234-A257 PolarHBondContact O-N 2.88Å; F236-A257 HydrophobicContact CD1-CB 3.72Å; F236-A257 HydrophobicContact CE1-CB 3.71Å; E255-A257 PolarHBondContact O-N 3.18Å; A257-V262 HydrophobicContact CB-CG2 4.49Å; A257-H285 PolarHBondContact O-CD2 3Å; A257-H285 VanDerWaalsContact O-CD2 3.27Å; A257-H285 PolarHBondContact O-NE2 3.14Å; A257-H285 VanDerWaalsContact O-NE2 3.17Å; A257-W287 HydrophobicContact CB-CH2 4.29Å; A257-W287 HydrophobicContact CB-CZ2 3.52Å
258H89.8Confident96.4Very high17 Ų1747.8 Ų47.88%0.07924%0.241CC..  trans-125.1162-167.9-66.4-90.2000111G234 S260 V262 T277 G283 H285G234-H258 WeakPolarHBondContact CA-O 3.31Å; G234-H258 PolarHBondContact O-N 2.88Å; H258-S260 VanDerWaalsContact C-N 3.25Å; H258-S260 VanDerWaalsContact CB-O 3.3Å; H258-S260 WeakPolarHBondContact CB-O 3.45Å; H258-V262 HydrophobicContact CB-CG2 4.27Å; H258-T277 PolarHBondContact NE2-OG1 2.78Å; H258-T277 VanDerWaalsContact NE2-OG1 3.09Å; H258-G283 PolarHBondContact CE1-O 2.73Å; H258-H285 AromaticContact CE1-CE1 3.5Å; H258-H285 AromaticContact CE1-CG 3.66Å; H258-H285 AromaticContact CE1-ND1 3.2Å; H258-H285 PolarHBondContact CE1-ND1 2.98Å; H258-H285 AromaticContact ND1-CE1 3.63Å; H258-H285 AromaticContact ND1-ND1 3.81Å; H258-H285 AromaticContact NE2-CG 3.88Å; H258-H285 AromaticContact NE2-ND1 3.89Å
259K86.6Confident96.5Very high211 Ų21144.9 Ų44.992%0.91723%0.234SC*.SBendtrans-77.1-13.7172.1-67.7-178-179.9-179.70113.2
260S91.9Very high96.4Very high50 Ų5047.8 Ų47.835%0.3525%0.245SC..SBendtrans-139.2178.5-176.2-177.60000109.2G234 H258G234-S260 WeakPolarHBondContact CA-O 3.49Å; G234-S260 PolarHBondContact N-O 2.87Å; H258-S260 VanDerWaalsContact C-N 3.25Å; H258-S260 VanDerWaalsContact CB-O 3.3Å; H258-S260 WeakPolarHBondContact CB-O 3.45Å
261T96.8Very high96.4Very high23 Ų2349.5 Ų49.514%0.14125%0.254CS..  trans-39136178.8-59.60000113.7C213 L232 W263 G279 G280C213-T261 VanDerWaalsContact SG-CG2 3.55Å; L232-T261 HydrophobicContact CD2-CG2 3.74Å; L232-T261 WeakPolarHBondContact CD2-OG1 3.2Å; T261-W263 HydrophobicContact CG2-CD2 4.08Å; T261-W263 HydrophobicContact CG2-CG 4.15Å; T261-W263 HydrophobicContact CG2-CZ2 4.42Å; T261-G279 CarbonylContact O-C 3.57Å; T261-G279 WeakPolarHBondContact O-CA 3.42Å; T261-G280 PolarHBondContact O-N 2.69Å
262V98.1Very high96.4Very high0 Ų052.3 Ų52.30%026%0.26CS..EExtended strand (participates in β ladder)trans-95.6100.5170.4-170.70000108.2C213 T230 S231 G234 A257 H258 T277 A278C213-V262 VanDerWaalsContact CB-O 3.23Å; C213-V262 WeakPolarHBondContact CB-O 3.4Å; T230-V262 VanDerWaalsContact CB-O 3.27Å; T230-V262 WeakPolarHBondContact CB-O 3.37Å; T230-V262 HydrophobicContact CG2-CB 4.39Å; T230-V262 HydrophobicContact CG2-CG1 3.7Å; T230-V262 PolarHBondContact OG1-O 3.46Å; S231-V262 PolarHBondContact O-N 3.21Å; S231-V262 VanDerWaalsContact O-N 3.08Å; G234-V262 VanDerWaalsContact C-CG2 3.41Å; A257-V262 HydrophobicContact CB-CG2 4.49Å; H258-V262 HydrophobicContact CB-CG2 4.27Å; V262-T277 HydrophobicContact CG1-CG2 4.22Å; V262-A278 CarbonylContact C-O 3.55Å
263W98.1Very high96.3Very high88 Ų8851 Ų5133%0.33325%0.248SC..EExtended strand (participates in β ladder)trans-75.1-34.4-169.5-73.988.3000114.2T261 A278 G280 P323 F342T261-W263 HydrophobicContact CG2-CD2 4.08Å; T261-W263 HydrophobicContact CG2-CG 4.15Å; T261-W263 HydrophobicContact CG2-CZ2 4.42Å; W263-A278 PolarHBondContact N-O 3.39Å; W263-G280 VanDerWaalsContact NE1-CA 3.32Å; W263-P323 HydrophobicContact CD2-CB 4.49Å; W263-P323 HydrophobicContact CZ2-CB 4.36Å; W263-P323 HydrophobicContact CZ2-CG 4.34Å; W263-F342 HydrophobicContact CH2-CE2 4.3Å
264Q98.2Very high96.4Very high24 Ų2449.6 Ų49.611%0.11224%0.24CC..EExtended strand (participates in β ladder)trans-147.8143.1-174.1-163.573.9-60.500110.9S214 R266 T277 A278 L327S214-Q264 VanDerWaalsContact CB-OE1 3.25Å; S214-Q264 PolarHBondContact OG-OE1 2.84Å; Q264-R266 HydrophobicContact CG-CG 4.18Å; Q264-T277 CarbonylContact O-C 3.33Å; Q264-T277 VanDerWaalsContact O-CA 3.29Å; Q264-T277 WeakPolarHBondContact O-CA 3.39Å; Q264-A278 HydrophobicContact CB-CB 4.17Å; Q264-A278 PolarHBondContact O-N 2.89Å; Q264-L327 HydrophobicContact CG-CB 4.44Å
265V98.8Very high96.4Very high0 Ų046.5 Ų46.50%022%0.218CC..EExtended strand (participates in β ladder)trans-113141.3159.756.70000109.6S214 E216 V228 T230 F275 L276S214-V265 PolarHBondContact OG-N 3.06Å; E216-V265 HydrophobicContact CB-CG1 3.86Å; V228-V265 HydrophobicContact CB-CB 4.44Å; V228-V265 HydrophobicContact CB-CG1 4.09Å; V228-V265 HydrophobicContact CB-CG2 3.91Å; V228-V265 HydrophobicContact CG1-CB 4.07Å; V228-V265 HydrophobicContact CG1-CG1 4.06Å; V228-V265 HydrophobicContact CG1-CG2 3.75Å; V228-V265 HydrophobicContact CG2-CG2 4.41Å; T230-V265 HydrophobicContact CG2-CB 3.66Å; T230-V265 HydrophobicContact CG2-CG1 3.84Å; V265-F275 HydrophobicContact CG2-CB 4.15Å; V265-F275 HydrophobicContact CG2-CD2 3.8Å; V265-F275 HydrophobicContact CG2-CG 4.26Å; V265-L276 CarbonylContact C-O 3.54Å; V265-L276 VanDerWaalsContact CA-O 3.31Å; V265-L276 WeakPolarHBondContact CA-O 3.41Å
266R98.8Very high96.4Very high43 Ų4342.9 Ų42.916%0.16220%0.201CC..EExtended strand (participates in β ladder)trans-141.6116.7168.5-66.9-62.6-177.2-168-9.3112.3E216 Q264 F275 L276 L327 W329E216-R266 WeakPolarHBondContact OE1-CD 3.19Å; E216-R266 IonicContact OE1-CZ 2.76Å; E216-R266 IonicContact OE1-NE 3.8Å; E216-R266 IonicContact OE1-NH1 3.82Å; E216-R266 PolarHBondContact OE1-NH1 2.68Å; E216-R266 WeakPolarHBondContact OE2-CA 3.49Å; Q264-R266 HydrophobicContact CG-CG 4.18Å; R266-F275 CarbonylContact O-C 3.57Å; R266-F275 VanDerWaalsContact O-CA 3.26Å; R266-F275 WeakPolarHBondContact O-CA 3.31Å; R266-L276 PolarHBondContact N-O 2.9Å; R266-L276 PolarHBondContact O-N 3.41Å; R266-L327 HydrophobicContact CB-CD2 3.62Å; R266-L327 HydrophobicContact CG-CB 4.23Å; R266-L327 HydrophobicContact CG-CD2 3.64Å; R266-L327 VanDerWaalsContact CG-O 3.31Å; R266-L327 WeakPolarHBondContact CG-O 3.34Å; R266-L327 PolarHBondContact NE-O 3Å; R266-W329 PolarHBondContact O-NE1 3.37Å
267H98.8Very high96.6Very high8 Ų836 Ų364%0.03717%0.171CC..EExtended strand (participates in β ladder)trans-69.8143.5170.2-63.983.3000110.5E216 V228 P269 R272 L274 F275E216-H267 IonicContact OE2-CE1 3.24Å; E216-H267 IonicContact OE2-CG 3.57Å; E216-H267 PolarHBondContact OE2-N 3.23Å; E216-H267 IonicContact OE2-ND1 2.92Å; E216-H267 PolarHBondContact OE2-ND1 3.03Å; V228-H267 VanDerWaalsContact CG2-CE1 3.46Å; V228-H267 WeakPolarHBondContact CG2-CE1 3.23Å; H267-P269 WeakPolarHBondContact O-CD 3.37Å; H267-R272 PolarHBondContact CD2-O 3.21Å; H267-L274 CarbonylContact C-O 3.59Å; H267-L274 WeakPolarHBondContact CA-O 3.29Å; H267-F275 HydrophobicContact CB-CB 4.39Å
268L98.6Very high97Very high1 Ų135.5 Ų35.51%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-67.2122.7175-177.370.2000108.7R219 Q270 N271 L274 W329 R334 L354R219-L268 VanDerWaalsContact CZ-O 3.29Å; R219-L268 PolarHBondContact NH1-O 2.93Å; R219-L268 PolarHBondContact NH2-O 3.47Å; L268-Q270 HydrophobicContact CG-CB 4.45Å; L268-Q270 PolarHBondContact O-N 2.91Å; L268-N271 HydrophobicContact CD2-CB 3.97Å; L268-N271 CarbonylContact O-C 3.58Å; L268-N271 VanDerWaalsContact O-C 3.25Å; L268-N271 PolarHBondContact O-N 2.78Å; L268-L274 HydrophobicContact CB-CB 4.17Å; L268-L274 HydrophobicContact CD2-CD1 4.16Å; L268-L274 PolarHBondContact N-O 2.98Å; L268-W329 HydrophobicContact CD1-CD2 3.75Å; L268-W329 HydrophobicContact CD1-CE3 3.72Å; L268-W329 HydrophobicContact CD1-CG 4.28Å; L268-W329 HydrophobicContact CD1-CH2 4.15Å; L268-W329 HydrophobicContact CD1-CZ2 4.14Å; L268-W329 HydrophobicContact CD1-CZ3 3.97Å; L268-R334 HydrophobicContact CD2-CG 4.35Å; L268-L354 HydrophobicContact CD1-CD1 4.03Å; L268-L354 HydrophobicContact CD2-CB 4.34Å; L268-L354 HydrophobicContact CD2-CD1 3.83Å; L268-L354 HydrophobicContact CD2-CG 4.48Å
269P97.4Very high97.2Very high54 Ų5434.7 Ų34.735%0.35116%0.163SC..THydrogen-bonded Turntrans-58.8-24.6-179.3-26.134.9000113.3R219 H267 W329R219-P269 VanDerWaalsContact CZ-O 3.24Å; R219-P269 PolarHBondContact NH2-O 2.75Å; H267-P269 WeakPolarHBondContact O-CD 3.37Å; P269-W329 HydrophobicContact CG-CB 3.74Å
270Q97.1Very high97.6Very high70 Ų7025.2 Ų25.233%0.32713%0.126SC..THydrogen-bonded Turntrans-93.5-13.9179.1-53.88217.100114.2L268 S330 P331 R334L268-Q270 HydrophobicContact CG-CB 4.45Å; L268-Q270 PolarHBondContact O-N 2.91Å; Q270-S330 PolarHBondContact NE2-O 3.07Å; Q270-P331 PolarHBondContact NE2-O 3.25Å; Q270-R334 HydrophobicContact CB-CB 4.46Å; Q270-R334 HydrophobicContact CB-CG 4.17Å; Q270-R334 HydrophobicContact CG-CB 4.06Å; Q270-R334 HydrophobicContact CG-CG 4.3Å
271N97.9Very high97.6Very high47 Ų4725.6 Ų25.625%0.25113%0.132SC..EExtended strand (participates in β ladder)trans-148.2111.8172.1-173.6-17.2000111.5R219 L268 E273 L274R219-N271 VanDerWaalsContact NH2-N 3.12Å; L268-N271 HydrophobicContact CD2-CB 3.97Å; L268-N271 CarbonylContact O-C 3.58Å; L268-N271 VanDerWaalsContact O-C 3.25Å; L268-N271 PolarHBondContact O-N 2.78Å; N271-E273 PolarHBondContact O-N 2.55Å; N271-E273 PolarHBondContact OD1-N 2.9Å; N271-L274 HydrophobicContact CB-CD1 4.23Å; N271-L274 HydrophobicContact CB-CG 4.28Å; N271-L274 PolarHBondContact O-N 2.81Å
272R97.7Very high97.5Very high82 Ų8224.5 Ų24.531%0.30913%0.125SC..EExtended strand (participates in β ladder)trans-70.8-10.7-17478.9-173.7-179.2-176.9-5.2114.4D218 R219 N225 K226 H267D218-R272 HydrophobicContact CB-CB 4.14Å; D218-R272 WeakPolarHBondContact OD2-CD 3.08Å; D218-R272 IonicContact OD2-NE 2.79Å; R219-R272 HydrophobicContact CG-CB 3.96Å; R219-R272 VanDerWaalsContact NH1-CA 3.34Å; N225-R272 PolarHBondContact ND2-NE 2.66Å; K226-R272 PolarHBondContact NZ-O 3.14Å; H267-R272 PolarHBondContact CD2-O 3.21Å
273E98.3Very high97.5Very high25 Ų2524.7 Ų24.712%0.11713%0.127CC..EExtended strand (participates in β ladder)trans-88.7-11.9178.7-46.5-49.5158.800112.4K226 N271 K288 Y289 Y291K226-E273 VanDerWaalsContact CE-OE2 3.23Å; K226-E273 WeakPolarHBondContact CE-OE2 3.21Å; K226-E273 IonicContact NZ-OE1 3.96Å; K226-E273 IonicContact NZ-OE2 3.79Å; K226-E273 PolarHBondContact NZ-OE2 2.82Å; N271-E273 PolarHBondContact O-N 2.55Å; N271-E273 PolarHBondContact OD1-N 2.9Å; E273-K288 CarbonylContact O-C 3.59Å; E273-K288 VanDerWaalsContact O-CA 3.31Å; E273-K288 WeakPolarHBondContact O-CA 3.3Å; E273-Y289 PolarHBondContact O-N 2.9Å; E273-Y291 HydrophobicContact CG-CE2 4.34Å; E273-Y291 WeakPolarHBondContact OE1-CE2 3.29Å; E273-Y291 PolarHBondContact OE1-OH 3.24Å; E273-Y291 VanDerWaalsContact OE2-CE2 3.3Å; E273-Y291 WeakPolarHBondContact OE2-CE2 3.47Å; E273-Y291 PolarHBondContact OE2-OH 3.28Å
274L98.7Very high97.5Very high1 Ų120.5 Ų20.51%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-105.8134.7179.5-57-178.1000110.3H267 L268 N271 W287 K288 L314 L354 I357H267-L274 CarbonylContact C-O 3.59Å; H267-L274 WeakPolarHBondContact CA-O 3.29Å; L268-L274 HydrophobicContact CB-CB 4.17Å; L268-L274 HydrophobicContact CD2-CD1 4.16Å; L268-L274 PolarHBondContact N-O 2.98Å; N271-L274 HydrophobicContact CB-CD1 4.23Å; N271-L274 HydrophobicContact CB-CG 4.28Å; N271-L274 PolarHBondContact O-N 2.81Å; L274-W287 WeakPolarHBondContact CA-O 3.41Å; L274-K288 HydrophobicContact CD2-CB 3.7Å; L274-K288 HydrophobicContact CD2-CD 4.26Å; L274-K288 HydrophobicContact CD2-CG 3.81Å; L274-L314 HydrophobicContact CD2-CD1 3.78Å; L274-L354 HydrophobicContact CD1-CD2 3.91Å; L274-I357 HydrophobicContact CD1-CB 4.45Å; L274-I357 HydrophobicContact CD1-CD1 4.26Å; L274-I357 HydrophobicContact CD1-CG2 4.4Å; L274-I357 HydrophobicContact CD2-CG2 3.8Å
275F98.8Very high97.5Very high0 Ų020.5 Ų20.50%011%0.111CC..EExtended strand (participates in β ladder)trans-147.3150.8175.659.8-86.6000111.9F236 V238 V265 R266 H267 T277 W287 V311F236-F275 HydrophobicContact CD2-CE2 4.4Å; F236-F275 AromaticContact CE2-CE2 3.8Å; F236-F275 HydrophobicContact CE2-CE2 3.8Å; F236-F275 AromaticContact CE2-CZ 3.77Å; F236-F275 HydrophobicContact CE2-CZ 3.77Å; F236-F275 HydrophobicContact CZ-CE2 4.12Å; F236-F275 HydrophobicContact CZ-CZ 4.18Å; V238-F275 HydrophobicContact CG2-CZ 4.24Å; V265-F275 HydrophobicContact CG2-CB 4.15Å; V265-F275 HydrophobicContact CG2-CD2 3.8Å; V265-F275 HydrophobicContact CG2-CG 4.26Å; R266-F275 CarbonylContact O-C 3.57Å; R266-F275 VanDerWaalsContact O-CA 3.26Å; R266-F275 WeakPolarHBondContact O-CA 3.31Å; H267-F275 HydrophobicContact CB-CB 4.39Å; F275-T277 HydrophobicContact CD2-CG2 4.02Å; F275-T277 HydrophobicContact CE2-CG2 4.01Å; F275-W287 HydrophobicContact CD1-CB 4.25Å; F275-W287 HydrophobicContact CD2-CB 3.99Å; F275-W287 HydrophobicContact CD2-CG 4.28Å; F275-W287 HydrophobicContact CE1-CB 3.8Å; F275-W287 HydrophobicContact CE2-CB 3.52Å; F275-W287 AromaticContact CE2-CD1 3.67Å; F275-W287 AromaticContact CE2-CG 3.68Å; F275-W287 HydrophobicContact CE2-CG 3.68Å; F275-W287 HydrophobicContact CG-CB 4.34Å; F275-W287 HydrophobicContact CZ-CB 3.4Å; F275-W287 VanDerWaalsContact CZ-CB 3.4Å; F275-W287 AromaticContact CZ-CG 3.95Å; F275-W287 HydrophobicContact CZ-CG 3.95Å; F275-W287 PolarHBondContact N-O 2.92Å; F275-W287 VanDerWaalsContact N-O 3.14Å; F275-W287 PolarHBondContact O-N 3.11Å; F275-V311 HydrophobicContact CE1-CG1 4.35Å; F275-V311 HydrophobicContact CZ-CG1 4.04Å
276L98.7Very high97.5Very high1 Ų120.6 Ų20.61%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-97.3142.6169.6-83172000109.9I9 V265 R266 L284 H285 L286 L327 W329I9-L276 HydrophobicContact CD1-CD2 4Å; V265-L276 CarbonylContact C-O 3.54Å; V265-L276 VanDerWaalsContact CA-O 3.31Å; V265-L276 WeakPolarHBondContact CA-O 3.41Å; R266-L276 PolarHBondContact N-O 2.9Å; R266-L276 PolarHBondContact O-N 3.41Å; L276-L284 HydrophobicContact CD2-CB 4.47Å; L276-H285 CarbonylContact C-O 3.25Å; L276-H285 WeakPolarHBondContact CA-O 3.35Å; L276-H285 WeakPolarHBondContact CD2-O 3.16Å; L276-L286 HydrophobicContact CD2-CB 3.83Å; L276-L286 HydrophobicContact CD2-CD1 4.16Å; L276-L286 HydrophobicContact CG-CD1 4.22Å; L276-L327 HydrophobicContact CB-CD1 4.33Å; L276-L327 HydrophobicContact CB-CD2 4.35Å; L276-L327 HydrophobicContact CD1-CD1 3.91Å; L276-L327 HydrophobicContact CD1-CD2 4.13Å; L276-W329 HydrophobicContact CB-CZ2 4.36Å; L276-W329 HydrophobicContact CD1-CH2 3.62Å; L276-W329 HydrophobicContact CD1-CZ2 3.22Å; L276-W329 HydrophobicContact CD1-CZ3 4.49Å; L276-W329 HydrophobicContact CG-CH2 4.24Å; L276-W329 HydrophobicContact CG-CZ2 3.55Å
277T98.7Very high97.5Very high0 Ų019.2 Ų19.20%011%0.106CC..EExtended strand (participates in β ladder)trans-113.6136.7161.464.30000110.7H258 V262 Q264 F275 L284 H285 W287H258-T277 PolarHBondContact NE2-OG1 2.78Å; H258-T277 VanDerWaalsContact NE2-OG1 3.09Å; V262-T277 HydrophobicContact CG1-CG2 4.22Å; Q264-T277 CarbonylContact O-C 3.33Å; Q264-T277 VanDerWaalsContact O-CA 3.29Å; Q264-T277 WeakPolarHBondContact O-CA 3.39Å; F275-T277 HydrophobicContact CD2-CG2 4.02Å; F275-T277 HydrophobicContact CE2-CG2 4.01Å; T277-L284 WeakPolarHBondContact O-CA 3.44Å; T277-H285 PolarHBondContact N-O 2.99Å; T277-H285 PolarHBondContact O-N 3.45Å; T277-W287 PolarHBondContact OG1-NE1 2.83Å
278A98.3Very high97.5Very high1 Ų121.4 Ų21.41%0.00812%0.116CC..EExtended strand (participates in β ladder)trans-107.1128.3178.100000111V262 W263 Q264 L284 I324V262-A278 CarbonylContact C-O 3.55Å; W263-A278 PolarHBondContact N-O 3.39Å; Q264-A278 HydrophobicContact CB-CB 4.17Å; Q264-A278 PolarHBondContact O-N 2.89Å; A278-L284 HydrophobicContact CB-CD2 3.78Å; A278-I324 HydrophobicContact CB-CB 4.08Å; A278-I324 HydrophobicContact CB-CG2 3.83Å; A278-I324 WeakPolarHBondContact CB-O 3.38Å
279G95.9Very high97.5Very high0 Ų021.5 Ų21.50%012%0.116CC..EExtended strand (participates in β ladder)trans-107.1160.5-171.600000114.5T261 A281 G282 G283 I324T261-G279 CarbonylContact O-C 3.57Å; T261-G279 WeakPolarHBondContact O-CA 3.42Å; G279-A281 PolarHBondContact O-N 3.02Å; G279-G282 PolarHBondContact O-N 3.04Å; G279-G283 PolarHBondContact N-O 2.71Å; G279-I324 PolarHBondContact O-N 3Å
280G94.3Very high97.5Very high12 Ų1223 Ų2312%0.12412%0.119CC..THydrogen-bonded Turntrans-70.7-9.6-178.900000115.3T261 W263 P323T261-G280 PolarHBondContact O-N 2.69Å; W263-G280 VanDerWaalsContact NE1-CA 3.32Å; G280-P323 WeakPolarHBondContact O-CG 3.41Å
281A91.9Very high97.6Very high58 Ų5823.1 Ų23.148%0.47912%0.116SC..THydrogen-bonded Turntrans-108.230.6173.800000111.6G279 G283 T318G279-A281 PolarHBondContact O-N 3.02Å; A281-G283 PolarHBondContact O-N 2.81Å; A281-T318 WeakPolarHBondContact O-CG2 3.31Å
282G95.3Very high97.6Very high0 Ų022.6 Ų22.60%012%0.115CC..SBendtrans65.818.1179.100000115.4G279 L319 S320 Q322 I324G279-G282 PolarHBondContact O-N 3.04Å; G282-L319 PolarHBondContact O-N 3.07Å; G282-S320 WeakPolarHBondContact CA-O 3.31Å; G282-S320 PolarHBondContact O-N 3.04Å; G282-Q322 WeakPolarHBondContact CA-O 3.37Å; G282-Q322 PolarHBondContact N-O 3.48Å; G282-I324 VanDerWaalsContact O-CD1 3.3Å; G282-I324 WeakPolarHBondContact O-CD1 3.49Å
283G97.1Very high97.6Very high4 Ų426 Ų264%0.04115%0.145CC..EExtended strand (participates in β ladder)trans-83.2140.7178.800000112.4H258 G279 A281 V317H258-G283 PolarHBondContact CE1-O 2.73Å; G279-G283 PolarHBondContact N-O 2.71Å; A281-G283 PolarHBondContact O-N 2.81Å; G283-V317 CarbonylContact C-O 3.59Å; G283-V317 WeakPolarHBondContact CA-O 3.25Å
284L98.3Very high97.5Very high0 Ų031.7 Ų31.70%017%0.172CC..EExtended strand (participates in β ladder)trans-117131.7166.1-67.4-180000109.1I9 L276 T277 A278 N316 V317 L319 I324 L327 L349I9-L284 HydrophobicContact CD1-CB 4.34Å; I9-L284 HydrophobicContact CG2-CD1 4.21Å; L276-L284 HydrophobicContact CD2-CB 4.47Å; T277-L284 WeakPolarHBondContact O-CA 3.44Å; A278-L284 HydrophobicContact CB-CD2 3.78Å; L284-N316 CarbonylContact O-C 3.57Å; L284-N316 WeakPolarHBondContact O-CA 3.16Å; L284-V317 HydrophobicContact CB-CG2 4.24Å; L284-V317 PolarHBondContact N-O 2.93Å; L284-V317 PolarHBondContact O-N 2.85Å; L284-L319 HydrophobicContact CD1-CD1 3.75Å; L284-I324 HydrophobicContact CD1-CD1 4.21Å; L284-I324 HydrophobicContact CD2-CD1 3.79Å; L284-I324 HydrophobicContact CD2-CG2 4.16Å; L284-I324 HydrophobicContact CG-CD1 3.68Å; L284-L327 HydrophobicContact CD1-CD1 4.42Å; L284-L327 HydrophobicContact CD2-CD1 3.64Å; L284-L349 HydrophobicContact CD1-CD1 3.3Å
285H98.4Very high97.5Very high24 Ų2434.4 Ų34.411%0.11118%0.182CC..EExtended strand (participates in β ladder)trans-126.4124.9178.8-67.833.8000108.8A257 H258 L276 T277 W287 L313 Q315 N316A257-H285 PolarHBondContact O-CD2 3Å; A257-H285 VanDerWaalsContact O-CD2 3.27Å; A257-H285 PolarHBondContact O-NE2 3.14Å; A257-H285 VanDerWaalsContact O-NE2 3.17Å; H258-H285 AromaticContact CE1-CE1 3.5Å; H258-H285 AromaticContact CE1-CG 3.66Å; H258-H285 AromaticContact CE1-ND1 3.2Å; H258-H285 PolarHBondContact CE1-ND1 2.98Å; H258-H285 AromaticContact ND1-CE1 3.63Å; H258-H285 AromaticContact ND1-ND1 3.81Å; H258-H285 AromaticContact NE2-CG 3.88Å; H258-H285 AromaticContact NE2-ND1 3.89Å; L276-H285 CarbonylContact C-O 3.25Å; L276-H285 WeakPolarHBondContact CA-O 3.35Å; L276-H285 WeakPolarHBondContact CD2-O 3.16Å; T277-H285 PolarHBondContact N-O 2.99Å; T277-H285 PolarHBondContact O-N 3.45Å; H285-W287 HydrophobicContact CB-CZ2 3.91Å; H285-W287 VanDerWaalsContact CB-NE1 3.26Å; H285-W287 AromaticContact CD2-CZ2 3.95Å; H285-W287 PolarHBondContact O-NE1 2.87Å; H285-L313 HydrophobicContact CB-CD1 3.78Å; H285-Q315 WeakPolarHBondContact CA-O 3.27Å; H285-N316 HydrophobicContact CB-CB 4.37Å
286L98.6Very high97.4Very high1 Ų136.5 Ų36.51%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-96.5124.5177.3178.168.7000109.3P7 I9 L276 L314 Q315 V351 L354P7-L286 HydrophobicContact CB-CD2 3.7Å; P7-L286 HydrophobicContact CG-CD2 3.95Å; I9-L286 HydrophobicContact CD1-CB 4.23Å; L276-L286 HydrophobicContact CD2-CB 3.83Å; L276-L286 HydrophobicContact CD2-CD1 4.16Å; L276-L286 HydrophobicContact CG-CD1 4.22Å; L286-L314 HydrophobicContact CD2-CB 4.13Å; L286-L314 HydrophobicContact CD2-CD1 4.14Å; L286-L314 HydrophobicContact CG-CB 4.17Å; L286-L314 HydrophobicContact CG-CD1 4.08Å; L286-L314 WeakPolarHBondContact O-CB 3.24Å; L286-L314 PolarHBondContact O-N 3.16Å; L286-Q315 HydrophobicContact CB-CB 4.38Å; L286-Q315 PolarHBondContact N-O 2.72Å; L286-Q315 PolarHBondContact O-N 3.18Å; L286-V351 HydrophobicContact CD2-CG1 3.96Å; L286-L354 HydrophobicContact CD2-CD2 4.07Å
287W98.6Very high97.4Very high14 Ų1442.1 Ų42.15%0.05322%0.221CC..EExtended strand (participates in β ladder)trans-118.9154.3-175.5-56.788.9000111.1F236 A257 L274 F275 T277 H285 V311 S312 L313F236-W287 HydrophobicContact CE1-CD2 4.31Å; F236-W287 AromaticContact CE1-CE2 3.97Å; F236-W287 HydrophobicContact CE1-CH2 4.3Å; F236-W287 AromaticContact CE1-CZ2 4Å; F236-W287 HydrophobicContact CE1-CZ2 4Å; F236-W287 HydrophobicContact CZ-CD2 4.03Å; F236-W287 HydrophobicContact CZ-CE3 4.21Å; F236-W287 HydrophobicContact CZ-CG 4.43Å; F236-W287 HydrophobicContact CZ-CZ2 4.49Å; A257-W287 HydrophobicContact CB-CH2 4.29Å; A257-W287 HydrophobicContact CB-CZ2 3.52Å; L274-W287 WeakPolarHBondContact CA-O 3.41Å; F275-W287 HydrophobicContact CD1-CB 4.25Å; F275-W287 HydrophobicContact CD2-CB 3.99Å; F275-W287 HydrophobicContact CD2-CG 4.28Å; F275-W287 HydrophobicContact CE1-CB 3.8Å; F275-W287 HydrophobicContact CE2-CB 3.52Å; F275-W287 AromaticContact CE2-CD1 3.67Å; F275-W287 AromaticContact CE2-CG 3.68Å; F275-W287 HydrophobicContact CE2-CG 3.68Å; F275-W287 HydrophobicContact CG-CB 4.34Å; F275-W287 HydrophobicContact CZ-CB 3.4Å; F275-W287 VanDerWaalsContact CZ-CB 3.4Å; F275-W287 AromaticContact CZ-CG 3.95Å; F275-W287 HydrophobicContact CZ-CG 3.95Å; F275-W287 PolarHBondContact N-O 2.92Å; F275-W287 VanDerWaalsContact N-O 3.14Å; F275-W287 PolarHBondContact O-N 3.11Å; T277-W287 PolarHBondContact OG1-NE1 2.83Å; H285-W287 HydrophobicContact CB-CZ2 3.91Å; H285-W287 VanDerWaalsContact CB-NE1 3.26Å; H285-W287 AromaticContact CD2-CZ2 3.95Å; H285-W287 PolarHBondContact O-NE1 2.87Å; W287-V311 HydrophobicContact CE3-CB 4.26Å; W287-V311 HydrophobicContact CE3-CG2 4.22Å; W287-V311 HydrophobicContact CZ3-CG2 4.44Å; W287-S312 WeakPolarHBondContact CA-O 3.3Å; W287-L313 HydrophobicContact CD2-CD1 4.1Å; W287-L313 HydrophobicContact CE3-CB 3.99Å; W287-L313 HydrophobicContact CE3-CD1 4.25Å; W287-L313 HydrophobicContact CH2-CB 4.04Å; W287-L313 HydrophobicContact CH2-CD1 3.99Å; W287-L313 HydrophobicContact CH2-CG 4.44Å; W287-L313 HydrophobicContact CZ2-CD1 3.79Å; W287-L313 HydrophobicContact CZ3-CB 3.67Å; W287-L313 HydrophobicContact CZ3-CD1 4.22Å; W287-L313 HydrophobicContact CZ3-CG 4.48Å
288K98.4Very high97.3Very high54 Ų5448.9 Ų48.924%0.23525%0.25CS..EExtended strand (participates in β ladder)trans-121.3135.3163.8-177.3178.1-173.8-179.90109.6E273 L274 V311 S312 L314 I357E273-K288 CarbonylContact O-C 3.59Å; E273-K288 VanDerWaalsContact O-CA 3.31Å; E273-K288 WeakPolarHBondContact O-CA 3.3Å; L274-K288 HydrophobicContact CD2-CB 3.7Å; L274-K288 HydrophobicContact CD2-CD 4.26Å; L274-K288 HydrophobicContact CD2-CG 3.81Å; K288-V311 CarbonylContact O-C 3.56Å; K288-V311 VanDerWaalsContact O-CA 3.25Å; K288-V311 WeakPolarHBondContact O-CA 3.36Å; K288-S312 PolarHBondContact N-O 2.86Å; K288-S312 PolarHBondContact O-N 2.93Å; K288-L314 HydrophobicContact CB-CD1 3.84Å; K288-L314 HydrophobicContact CB-CD2 4.21Å; K288-L314 HydrophobicContact CB-CG 4.13Å; K288-I357 HydrophobicContact CD-CG2 3.82Å; K288-I357 PolarHBondContact NZ-OXT 3.05Å
289Y98.6Very high97.2Very high3 Ų350 Ų501%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-86135.1168-172.7-97.6000110.7K226 V238 V253 E273 Y291 G309 S310 V311K226-Y289 HydrophobicContact CD-CD1 3.49Å; K226-Y289 VanDerWaalsContact CD-CD1 3.49Å; K226-Y289 HydrophobicContact CD-CD2 4.26Å; K226-Y289 HydrophobicContact CD-CE1 3.76Å; K226-Y289 HydrophobicContact CD-CE2 4.49Å; K226-Y289 HydrophobicContact CD-CG 3.74Å; V238-Y289 HydrophobicContact CB-CD2 4.24Å; V238-Y289 HydrophobicContact CB-CE2 4.13Å; V238-Y289 HydrophobicContact CG1-CD2 3.69Å; V238-Y289 HydrophobicContact CG1-CE2 3.68Å; V253-Y289 HydrophobicContact CG1-CE2 4.13Å; E273-Y289 PolarHBondContact O-N 2.9Å; Y289-Y291 HydrophobicContact CD1-CD1 4.04Å; Y289-Y291 HydrophobicContact CD1-CD2 4.37Å; Y289-Y291 AromaticContact CD1-CE1 3.96Å; Y289-Y291 HydrophobicContact CD1-CE1 3.96Å; Y289-Y291 HydrophobicContact CD1-CE2 4.32Å; Y289-Y291 HydrophobicContact CD1-CG 4.23Å; Y289-Y291 AromaticContact CE1-CD1 3.48Å; Y289-Y291 HydrophobicContact CE1-CD1 3.48Å; Y289-Y291 VanDerWaalsContact CE1-CD1 3.48Å; Y289-Y291 AromaticContact CE1-CE1 3.62Å; Y289-Y291 HydrophobicContact CE1-CE1 3.62Å; Y289-Y291 AromaticContact CE1-CG 3.97Å; Y289-Y291 HydrophobicContact CE1-CG 3.97Å; Y289-G309 WeakPolarHBondContact OH-CA 3.43Å; Y289-G309 PolarHBondContact OH-N 2.64Å; Y289-S310 WeakPolarHBondContact CD2-O 3.19Å; Y289-V311 HydrophobicContact CD2-CG1 3.76Å
290E98.4Very high97.2Very high87 Ų8755.7 Ų55.741%0.40730%0.296SS..EExtended strand (participates in β ladder)trans-116.4112.4178.2-69172.9-159.400108.7G309 S310 S312E290-G309 VanDerWaalsContact O-CA 3.22Å; E290-G309 WeakPolarHBondContact O-CA 3.3Å; E290-S310 PolarHBondContact N-O 3.49Å; E290-S310 PolarHBondContact O-N 3.23Å; E290-S312 WeakPolarHBondContact OE1-CB 3.29Å; E290-S312 PolarHBondContact OE1-OG 3.32Å
291Y98.4Very high97.3Very high72 Ų7262.3 Ų62.328%0.28232%0.324SS..  trans-65.9144178.2-64.8-82000110.7N225 K226 E273 Y289 R295N225-Y291 PolarHBondContact ND2-OH 3.07Å; K226-Y291 HydrophobicContact CD-CE1 4.31Å; K226-Y291 PolarHBondContact NZ-OH 3.23Å; E273-Y291 HydrophobicContact CG-CE2 4.34Å; E273-Y291 WeakPolarHBondContact OE1-CE2 3.29Å; E273-Y291 PolarHBondContact OE1-OH 3.24Å; E273-Y291 VanDerWaalsContact OE2-CE2 3.3Å; E273-Y291 WeakPolarHBondContact OE2-CE2 3.47Å; E273-Y291 PolarHBondContact OE2-OH 3.28Å; Y289-Y291 HydrophobicContact CD1-CD1 4.04Å; Y289-Y291 HydrophobicContact CD1-CD2 4.37Å; Y289-Y291 AromaticContact CD1-CE1 3.96Å; Y289-Y291 HydrophobicContact CD1-CE1 3.96Å; Y289-Y291 HydrophobicContact CD1-CE2 4.32Å; Y289-Y291 HydrophobicContact CD1-CG 4.23Å; Y289-Y291 AromaticContact CE1-CD1 3.48Å; Y289-Y291 HydrophobicContact CE1-CD1 3.48Å; Y289-Y291 VanDerWaalsContact CE1-CD1 3.48Å; Y289-Y291 AromaticContact CE1-CE1 3.62Å; Y289-Y291 HydrophobicContact CE1-CE1 3.62Å; Y289-Y291 AromaticContact CE1-CG 3.97Å; Y289-Y291 HydrophobicContact CE1-CG 3.97Å; Y291-R295 HydrophobicContact CD1-CG 4.09Å; Y291-R295 VanDerWaalsContact CE1-CZ 3.44Å
292P98.1Very high97.5Very high35 Ų3561.4 Ų61.423%0.22732%0.32CS..  trans-67.6164.3167.132.2-33.1000110.1Q294 R295 V307P292-Q294 VanDerWaalsContact CG-O 3.26Å; P292-Q294 WeakPolarHBondContact CG-O 3.45Å; P292-Q294 PolarHBondContact O-N 3.16Å; P292-R295 HydrophobicContact CG-CG 4.4Å; P292-V307 HydrophobicContact CB-CG1 4.01Å; P292-V307 HydrophobicContact CG-CB 4.13Å; P292-V307 HydrophobicContact CG-CG1 3.86Å; P292-V307 WeakPolarHBondContact CG-O 3.19Å
293V97.7Very high97.7Very high155 Ų15564.4 Ų64.494%0.93934%0.335SS*.SBendtrans-54.7-37.6177.8179.60000111.7
294Q97.1Very high97.7Very high143 Ų14369.3 Ų69.367%0.66836%0.357SS*.  trans-130131.7172.8-68.1-178.5-8.700109.5P292 V307P292-Q294 VanDerWaalsContact CG-O 3.26Å; P292-Q294 WeakPolarHBondContact CG-O 3.45Å; P292-Q294 PolarHBondContact O-N 3.16Å; Q294-V307 WeakPolarHBondContact O-CB 3.18Å
295R97.6Very high97.7Very high59 Ų5971 Ų7122%0.22337%0.365CS..SBendtrans-89.4-8.3-177.3-66.317962.7-179.4-1.2114N225 D240 Y291 P292 G306 V307N225-R295 PolarHBondContact O-NH2 3.19Å; N225-R295 PolarHBondContact OD1-NH1 2.7Å; N225-R295 PolarHBondContact OD1-NH2 3.21Å; D240-R295 IonicContact OD1-CZ 2.72Å; D240-R295 IonicContact OD1-NE 3.55Å; D240-R295 IonicContact OD1-NH2 2.92Å; D240-R295 PolarHBondContact OD1-NH2 2.56Å; D240-R295 IonicContact OD2-CZ 2.79Å; D240-R295 VanDerWaalsContact OD2-CZ 3.24Å; D240-R295 IonicContact OD2-NE 3.25Å; D240-R295 PolarHBondContact OD2-NE 2.73Å; D240-R295 IonicContact OD2-NH2 3.08Å; D240-R295 PolarHBondContact OD2-NH2 3.22Å; Y291-R295 HydrophobicContact CD1-CG 4.09Å; Y291-R295 VanDerWaalsContact CE1-CZ 3.44Å; P292-R295 HydrophobicContact CG-CG 4.4Å; R295-G306 CarbonylContact O-C 3.52Å; R295-G306 WeakPolarHBondContact O-CA 3.46Å; R295-V307 PolarHBondContact O-N 2.98Å
296S97.6Very high97.7Very high44 Ų4470.2 Ų70.231%0.30836%0.364SS..EExtended strand (participates in β ladder)trans-136.2152.1174.462.40000110.1M305S296-M305 CarbonylContact C-O 3.6Å; S296-M305 VanDerWaalsContact CA-O 3.28Å; S296-M305 WeakPolarHBondContact CA-O 3.44Å
297K97.7Very high97.7Very high118 Ų11871.9 Ų71.951%0.51337%0.374SS..EExtended strand (participates in β ladder)trans-143.8161.7169.366.3-179.5-179.4178.60108.7M305 V307K297-M305 VanDerWaalsContact CE-SD 3.59Å; K297-M305 HydrophobicContact CG-CG 3.84Å; K297-M305 HydrophobicContact CG-SD 4.27Å; K297-M305 PolarHBondContact N-O 2.91Å; K297-M305 WeakPolarHBondContact O-CG 3.43Å; K297-M305 PolarHBondContact O-N 3.49Å; K297-V307 HydrophobicContact CB-CG2 4.04Å; K297-V307 HydrophobicContact CD-CG2 3.92Å; K297-V307 HydrophobicContact CG-CG2 3.75Å
298K98Very high97.6Very high143 Ų14372.7 Ų72.762%0.62238%0.384SS*.EExtended strand (participates in β ladder)trans-86.5142.1168.9-68-175.7175.4-170.50109.9G302 I303K298-G302 WeakPolarHBondContact CD-O 3.47Å; K298-I303 WeakPolarHBondContact CA-O 3.23Å
299D95.9Very high97.6Very high23 Ų2370.8 Ų70.812%0.12338%0.379CS..  trans-82.5-171.6170.279.1-8000111.8H245 K248 E301 G302 I303 M305H245-D299 IonicContact NE2-OD2 3.2Å; H245-D299 PolarHBondContact NE2-OD2 3.23Å; K248-D299 IonicContact NZ-OD2 3.19Å; K248-D299 PolarHBondContact NZ-OD2 2.98Å; D299-E301 PolarHBondContact O-N 3.39Å; D299-E301 VanDerWaalsContact O-N 3.17Å; D299-E301 WeakPolarHBondContact OD1-CA 3.39Å; D299-E301 PolarHBondContact OD1-N 3.18Å; D299-G302 PolarHBondContact O-N 3.41Å; D299-G302 VanDerWaalsContact O-N 3.08Å; D299-G302 PolarHBondContact OD1-N 2.79Å; D299-I303 PolarHBondContact N-O 2.99Å; D299-I303 PolarHBondContact OD1-N 3.11Å; D299-M305 HydrophobicContact CB-CE 3.84Å; D299-M305 HydrophobicContact CB-CG 4.41Å; D299-M305 HydrophobicContact CB-SD 4.06Å
300S95.9Very high97.6Very high120 Ų12073.2 Ų73.284%0.83940%0.397SS*.THydrogen-bonded Turntrans-61.2-20.2-179.546.90000114.1
301E96.1Very high97.6Very high152 Ų15270 Ų7071%0.7138%0.383SS*.THydrogen-bonded Turntrans-100.41.9-179.8-64175-157.200111.9D299 I303D299-E301 PolarHBondContact O-N 3.39Å; D299-E301 VanDerWaalsContact O-N 3.17Å; D299-E301 WeakPolarHBondContact OD1-CA 3.39Å; D299-E301 PolarHBondContact OD1-N 3.18Å; E301-I303 VanDerWaalsContact C-N 3.32Å; E301-I303 HydrophobicContact CB-CD1 4.29Å; E301-I303 HydrophobicContact CB-CG1 4.29Å
302G96.6Very high97.6Very high39 Ų3968 Ų6840%0.40238%0.38SS..SBendtrans82.17.2-179.100000114.4K298 D299K298-G302 WeakPolarHBondContact CD-O 3.47Å; D299-G302 PolarHBondContact O-N 3.41Å; D299-G302 VanDerWaalsContact O-N 3.08Å; D299-G302 PolarHBondContact OD1-N 2.79Å
303I97.9Very high97.5Very high62 Ų6269.9 Ų69.932%0.31839%0.388SS..  trans-83.9136.4-179.8-55.6173.1000109.2H245 K298 D299 E301H245-I303 WeakPolarHBondContact NE2-CG2 3.44Å; K298-I303 WeakPolarHBondContact CA-O 3.23Å; D299-I303 PolarHBondContact N-O 2.99Å; D299-I303 PolarHBondContact OD1-N 3.11Å; E301-I303 VanDerWaalsContact C-N 3.32Å; E301-I303 HydrophobicContact CB-CD1 4.29Å; E301-I303 HydrophobicContact CB-CG1 4.29Å
304E97.9Very high97.5Very high108 Ų10864 Ų6451%0.50535%0.35SS..EExtended strand (participates in β ladder)trans-67.9135.3177.9-66.6-167.6164.600111.9T243 H245T243-E304 HydrophobicContact CG2-CB 3.93Å; H245-E304 PolarHBondContact CD2-O 3.37Å
305M97.9Very high97.5Very high34 Ų3458.7 Ų58.717%0.16733%0.326CS..EExtended strand (participates in β ladder)trans-135.914917154.1166.938.400110.6H245 K248 S296 K297 D299H245-M305 HydrophobicContact CB-CB 4.24Å; K248-M305 HydrophobicContact CD-CE 3.27Å; S296-M305 CarbonylContact C-O 3.6Å; S296-M305 VanDerWaalsContact CA-O 3.28Å; S296-M305 WeakPolarHBondContact CA-O 3.44Å; K297-M305 VanDerWaalsContact CE-SD 3.59Å; K297-M305 HydrophobicContact CG-CG 3.84Å; K297-M305 HydrophobicContact CG-SD 4.27Å; K297-M305 PolarHBondContact N-O 2.91Å; K297-M305 WeakPolarHBondContact O-CG 3.43Å; K297-M305 PolarHBondContact O-N 3.49Å; D299-M305 HydrophobicContact CB-CE 3.84Å; D299-M305 HydrophobicContact CB-CG 4.41Å; D299-M305 HydrophobicContact CB-SD 4.06Å
306G98.3Very high97.5Very high8 Ų859.4 Ų59.48%0.08233%0.334CS..EExtended strand (participates in β ladder)trans-63.5156.9175.500000112.7A251 R295A251-G306 VanDerWaalsContact CB-O 3.25Å; A251-G306 WeakPolarHBondContact CB-O 3.39Å; R295-G306 CarbonylContact O-C 3.52Å; R295-G306 WeakPolarHBondContact O-CA 3.46Å
307V98.4Very high97.5Very high37 Ų3759 Ų5922%0.22433%0.33CS..  trans-118.5117.2167.9-177.20000106.8P292 Q294 R295 K297P292-V307 HydrophobicContact CB-CG1 4.01Å; P292-V307 HydrophobicContact CG-CB 4.13Å; P292-V307 HydrophobicContact CG-CG1 3.86Å; P292-V307 WeakPolarHBondContact CG-O 3.19Å; Q294-V307 WeakPolarHBondContact O-CB 3.18Å; R295-V307 PolarHBondContact O-N 2.98Å; K297-V307 HydrophobicContact CB-CG2 4.04Å; K297-V307 HydrophobicContact CD-CG2 3.92Å; K297-V307 HydrophobicContact CG-CG2 3.75Å
308A97.7Very high97.4Very high30 Ų3058.3 Ų58.325%0.24834%0.335CS..  trans-70.4144.5177.200000110.6A251 S252 V253A251-A308 HydrophobicContact CB-CB 4.33Å; S252-A308 WeakPolarHBondContact O-CB 3.35Å; V253-A308 HydrophobicContact CB-CB 4.22Å
309G98.1Very high97.4Very high14 Ų1453.3 Ų53.314%0.14432%0.315CS..  trans-85.7-158.2170.100000112.1V253 Y289 E290V253-G309 WeakPolarHBondContact CB-O 3.39Å; Y289-G309 WeakPolarHBondContact OH-CA 3.43Å; Y289-G309 PolarHBondContact OH-N 2.64Å; E290-G309 VanDerWaalsContact O-CA 3.22Å; E290-G309 WeakPolarHBondContact O-CA 3.3Å
310S98.4Very high97.4Very high55 Ų5552.7 Ų52.739%0.38531%0.313SS..EExtended strand (participates in β ladder)trans-120.9168.1173.856.40000110.3Y289 E290Y289-S310 WeakPolarHBondContact CD2-O 3.19Å; E290-S310 PolarHBondContact N-O 3.49Å; E290-S310 PolarHBondContact O-N 3.23Å
311V98.3Very high97.2Very high18 Ų1852.9 Ų52.911%0.10931%0.309CS..EExtended strand (participates in β ladder)trans-123.5139.2170.3-69.10000109.4F236 V238 E255 F275 W287 K288 Y289F236-V311 HydrophobicContact CE2-CG1 4.44Å; F236-V311 HydrophobicContact CE2-CG2 4.4Å; F236-V311 HydrophobicContact CZ-CG2 3.99Å; V238-V311 HydrophobicContact CG2-CG1 3.91Å; E255-V311 HydrophobicContact CB-CG2 4.19Å; E255-V311 HydrophobicContact CG-CG2 3.21Å; F275-V311 HydrophobicContact CE1-CG1 4.35Å; F275-V311 HydrophobicContact CZ-CG1 4.04Å; W287-V311 HydrophobicContact CE3-CB 4.26Å; W287-V311 HydrophobicContact CE3-CG2 4.22Å; W287-V311 HydrophobicContact CZ3-CG2 4.44Å; K288-V311 CarbonylContact O-C 3.56Å; K288-V311 VanDerWaalsContact O-CA 3.25Å; K288-V311 WeakPolarHBondContact O-CA 3.36Å; Y289-V311 HydrophobicContact CD2-CG1 3.76Å
312S97.3Very high97.2Very high31 Ų3150 Ų5022%0.21730%0.295CS..EExtended strand (participates in β ladder)trans-114.6129.6176.953.10000110.5W287 K288 E290 L314W287-S312 WeakPolarHBondContact CA-O 3.3Å; K288-S312 PolarHBondContact N-O 2.86Å; K288-S312 PolarHBondContact O-N 2.93Å; E290-S312 WeakPolarHBondContact OE1-CB 3.29Å; E290-S312 PolarHBondContact OE1-OG 3.32Å; S312-L314 PolarHBondContact O-N 3.41Å
313L97.7Very high97.3Very high75 Ų7549 Ų4939%0.39328%0.282SS..EExtended strand (participates in β ladder)trans-75.3116.8174.3-179.265.2000109.3H285 W287 N316H285-L313 HydrophobicContact CB-CD1 3.78Å; W287-L313 HydrophobicContact CD2-CD1 4.1Å; W287-L313 HydrophobicContact CE3-CB 3.99Å; W287-L313 HydrophobicContact CE3-CD1 4.25Å; W287-L313 HydrophobicContact CH2-CB 4.04Å; W287-L313 HydrophobicContact CH2-CD1 3.99Å; W287-L313 HydrophobicContact CH2-CG 4.44Å; W287-L313 HydrophobicContact CZ2-CD1 3.79Å; W287-L313 HydrophobicContact CZ3-CB 3.67Å; W287-L313 HydrophobicContact CZ3-CD1 4.22Å; W287-L313 HydrophobicContact CZ3-CG 4.48Å; L313-N316 HydrophobicContact CD1-CB 4.39Å; L313-N316 HydrophobicContact CD2-CB 4.47Å
314L97.1Very high97.3Very high30 Ų3046 Ų4616%0.15727%0.266CS..EExtended strand (participates in β ladder)trans-90.5-40.4-178.7-59177.8000112.3P7 L274 L286 K288 S312 I357P7-L314 HydrophobicContact CG-CB 4.3Å; L274-L314 HydrophobicContact CD2-CD1 3.78Å; L286-L314 HydrophobicContact CD2-CB 4.13Å; L286-L314 HydrophobicContact CD2-CD1 4.14Å; L286-L314 HydrophobicContact CG-CB 4.17Å; L286-L314 HydrophobicContact CG-CD1 4.08Å; L286-L314 WeakPolarHBondContact O-CB 3.24Å; L286-L314 PolarHBondContact O-N 3.16Å; K288-L314 HydrophobicContact CB-CD1 3.84Å; K288-L314 HydrophobicContact CB-CD2 4.21Å; K288-L314 HydrophobicContact CB-CG 4.13Å; S312-L314 PolarHBondContact O-N 3.41Å; L314-I357 HydrophobicContact CD1-CD1 4.03Å; L314-I357 HydrophobicContact CD1-CG2 3.83Å
315Q97.1Very high97.2Very high32 Ų3241.5 Ų41.515%0.1525%0.247CC..EExtended strand (participates in β ladder)trans-160.2149.6-179.1-175.856-86.200110.9P7 I9 H285 L286P7-Q315 HydrophobicContact CB-CB 4.44Å; P7-Q315 VanDerWaalsContact O-CG 3.29Å; P7-Q315 WeakPolarHBondContact O-CG 3.48Å; P7-Q315 PolarHBondContact O-NE2 2.95Å; I9-Q315 HydrophobicContact CD1-CB 4.35Å; I9-Q315 HydrophobicContact CD1-CG 4.06Å; I9-Q315 HydrophobicContact CG1-CG 4.03Å; H285-Q315 WeakPolarHBondContact CA-O 3.27Å; L286-Q315 HydrophobicContact CB-CB 4.38Å; L286-Q315 PolarHBondContact N-O 2.72Å; L286-Q315 PolarHBondContact O-N 3.18Å
316N96.9Very high97.2Very high75 Ų7539.9 Ų39.940%0.40124%0.239SC..EExtended strand (participates in β ladder)trans-143.3145.3169.465.1-71.5000111.9L284 H285 L313L284-N316 CarbonylContact O-C 3.57Å; L284-N316 WeakPolarHBondContact O-CA 3.16Å; H285-N316 HydrophobicContact CB-CB 4.37Å; L313-N316 HydrophobicContact CD1-CB 4.39Å; L313-N316 HydrophobicContact CD2-CB 4.47Å
317V97.3Very high97.2Very high35 Ų3539.7 Ų39.721%0.21224%0.236CC..EExtended strand (participates in β ladder)trans-143.1154175.8-65.10000110.2I9 G283 L284 L319I9-V317 HydrophobicContact CB-CG1 4.26Å; I9-V317 HydrophobicContact CB-CG2 3.71Å; I9-V317 HydrophobicContact CD1-CG2 4.1Å; I9-V317 HydrophobicContact CG2-CG2 3.66Å; G283-V317 CarbonylContact C-O 3.59Å; G283-V317 WeakPolarHBondContact CA-O 3.25Å; L284-V317 HydrophobicContact CB-CG2 4.24Å; L284-V317 PolarHBondContact N-O 2.93Å; L284-V317 PolarHBondContact O-N 2.85Å; V317-L319 HydrophobicContact CB-CD2 4.35Å; V317-L319 HydrophobicContact CG2-CD1 4.13Å; V317-L319 HydrophobicContact CG2-CD2 3.99Å; V317-L319 HydrophobicContact CG2-CG 3.81Å
318T97.3Very high97.2Very high103 Ų10339.3 Ų39.363%0.63223%0.233SC*.EExtended strand (participates in β ladder)trans-107.5118.5168.4-60.50000108.4A281 S320A281-T318 WeakPolarHBondContact O-CG2 3.31Å; T318-S320 WeakPolarHBondContact CG2-O 3.44Å
319L96.8Very high97.2Very high39 Ų3938.1 Ų38.120%0.20422%0.222CC..  trans-113.2-10.4-174.9-61.7-178.2000113.8I9 A11 G282 L284 V317 I324 R347 L349I9-L319 HydrophobicContact CG2-CD1 4.44Å; A11-L319 HydrophobicContact CB-CD2 4.27Å; G282-L319 PolarHBondContact O-N 3.07Å; L284-L319 HydrophobicContact CD1-CD1 3.75Å; V317-L319 HydrophobicContact CB-CD2 4.35Å; V317-L319 HydrophobicContact CG2-CD1 4.13Å; V317-L319 HydrophobicContact CG2-CD2 3.99Å; V317-L319 HydrophobicContact CG2-CG 3.81Å; L319-I324 HydrophobicContact CB-CD1 4.47Å; L319-R347 PolarHBondContact O-NE 3.24Å; L319-R347 PolarHBondContact O-NH2 2.86Å; L319-L349 HydrophobicContact CD1-CD1 4.15Å; L319-L349 HydrophobicContact CD1-CD2 3.6Å
320S96.1Very high97.2Very high9 Ų937.6 Ų37.66%0.06322%0.216CC..  trans-143156.4-178.2-176.90000110.3G282 T318 Q322 S341 D343G282-S320 WeakPolarHBondContact CA-O 3.31Å; G282-S320 PolarHBondContact O-N 3.04Å; T318-S320 WeakPolarHBondContact CG2-O 3.44Å; S320-Q322 VanDerWaalsContact C-N 3.34Å; S320-Q322 WeakPolarHBondContact CB-O 3.42Å; S320-Q322 PolarHBondContact OG-N 2.93Å; S320-Q322 VanDerWaalsContact OG-N 3.11Å; S320-Q322 PolarHBondContact OG-O 2.69Å; S320-S341 PolarHBondContact OG-OG 3.28Å; S320-D343 WeakPolarHBondContact CB-OD2 3.37Å; S320-D343 PolarHBondContact OG-OD2 3.02Å
321T92Very high97Very high125 Ų12537.8 Ų37.877%0.76722%0.216SC*.SBendtrans-86.8-11.3169.354.20000112.3
322Q96.8Very high96.7Very high91 Ų9140.4 Ų40.443%0.42523%0.229SC..SBendtrans-116.1165.5-179.6-67.4-66.6-11.100110.6G282 S320 I324 S341 F342 D343G282-Q322 WeakPolarHBondContact CA-O 3.37Å; G282-Q322 PolarHBondContact N-O 3.48Å; S320-Q322 VanDerWaalsContact C-N 3.34Å; S320-Q322 WeakPolarHBondContact CB-O 3.42Å; S320-Q322 PolarHBondContact OG-N 2.93Å; S320-Q322 VanDerWaalsContact OG-N 3.11Å; S320-Q322 PolarHBondContact OG-O 2.69Å; Q322-I324 PolarHBondContact O-N 3.25Å; Q322-S341 PolarHBondContact O-OG 3.47Å; Q322-F342 HydrophobicContact CB-CB 4.15Å; Q322-D343 HydrophobicContact CB-CB 3.95Å; Q322-D343 HydrophobicContact CG-CB 3.86Å
323P97.8Very high96.7Very high17 Ų1745.3 Ų45.311%0.1125%0.247CC..  trans-54.5129.9175.8-27.834.9000113.1W263 G280 S325 S341 F342W263-P323 HydrophobicContact CD2-CB 4.49Å; W263-P323 HydrophobicContact CZ2-CB 4.36Å; W263-P323 HydrophobicContact CZ2-CG 4.34Å; G280-P323 WeakPolarHBondContact O-CG 3.41Å; P323-S325 PolarHBondContact O-N 3.45Å; P323-S341 VanDerWaalsContact O-CA 3.23Å; P323-S341 WeakPolarHBondContact O-CA 3.4Å; P323-S341 WeakPolarHBondContact O-CB 3.25Å; P323-S341 PolarHBondContact O-OG 2.85Å; P323-F342 HydrophobicContact CB-CD2 3.75Å; P323-F342 HydrophobicContact CB-CE2 4.11Å; P323-F342 HydrophobicContact CG-CD2 3.86Å; P323-F342 HydrophobicContact CG-CE2 4.42Å; P323-F342 PolarHBondContact O-N 3.42Å; P323-F342 VanDerWaalsContact O-N 3.14Å
324I97.8Very high96.7Very high0 Ų048.6 Ų48.60%025%0.254CS..EExtended strand (participates in β ladder)trans-79.1101.1161.9-66167.3000106.3A278 G279 G282 L284 L319 Q322 C339 S340A278-I324 HydrophobicContact CB-CB 4.08Å; A278-I324 HydrophobicContact CB-CG2 3.83Å; A278-I324 WeakPolarHBondContact CB-O 3.38Å; G279-I324 PolarHBondContact O-N 3Å; G282-I324 VanDerWaalsContact O-CD1 3.3Å; G282-I324 WeakPolarHBondContact O-CD1 3.49Å; L284-I324 HydrophobicContact CD1-CD1 4.21Å; L284-I324 HydrophobicContact CD2-CD1 3.79Å; L284-I324 HydrophobicContact CD2-CG2 4.16Å; L284-I324 HydrophobicContact CG-CD1 3.68Å; L319-I324 HydrophobicContact CB-CD1 4.47Å; Q322-I324 PolarHBondContact O-N 3.25Å; I324-C339 HydrophobicContact CG2-CB 3.78Å; I324-S340 CarbonylContact C-O 3.45Å; I324-S340 WeakPolarHBondContact CA-O 3.3Å
325S95.3Very high96.6Very high13 Ų1347.2 Ų47.29%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-86.4-29.1-169.155.90000112.9P323 S340P323-S325 PolarHBondContact O-N 3.45Å; S325-S340 PolarHBondContact N-O 3.07Å
326S98.1Very high96.7Very high1 Ų147 Ų471%0.00725%0.247CC..EExtended strand (participates in β ladder)trans-138151.1177.477.40000112.5D23 C24 C339 S340D23-S326 VanDerWaalsContact OD1-CB 3.28Å; D23-S326 WeakPolarHBondContact OD1-CB 3.21Å; C24-S326 PolarHBondContact N-OG 2.95Å; C24-S326 PolarHBondContact SG-OG 2.89Å; S326-C339 VanDerWaalsContact O-CA 3.23Å; S326-C339 WeakPolarHBondContact O-CA 3.45Å; S326-C339 VanDerWaalsContact O-CB 3.27Å; S326-C339 WeakPolarHBondContact O-CB 3.35Å; S326-S340 PolarHBondContact N-O 2.95Å; S326-S340 PolarHBondContact O-N 3.38Å; S326-S340 WeakPolarHBondContact OG-CB 3.24Å; S326-S340 PolarHBondContact OG-OG 2.86Å
327L98.1Very high96.7Very high3 Ų343.5 Ų43.52%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-148.9142.1-179.4-167.8142.9000108.5Q264 R266 L276 L284 C337 V338 C339Q264-L327 HydrophobicContact CG-CB 4.44Å; R266-L327 HydrophobicContact CB-CD2 3.62Å; R266-L327 HydrophobicContact CG-CB 4.23Å; R266-L327 HydrophobicContact CG-CD2 3.64Å; R266-L327 VanDerWaalsContact CG-O 3.31Å; R266-L327 WeakPolarHBondContact CG-O 3.34Å; R266-L327 PolarHBondContact NE-O 3Å; L276-L327 HydrophobicContact CB-CD1 4.33Å; L276-L327 HydrophobicContact CB-CD2 4.35Å; L276-L327 HydrophobicContact CD1-CD1 3.91Å; L276-L327 HydrophobicContact CD1-CD2 4.13Å; L284-L327 HydrophobicContact CD1-CD1 4.42Å; L284-L327 HydrophobicContact CD2-CD1 3.64Å; L327-C337 WeakPolarHBondContact CD2-SG 3.39Å; L327-C337 VanDerWaalsContact CG-SG 3.51Å; L327-V338 CarbonylContact C-O 3.52Å; L327-V338 WeakPolarHBondContact CA-O 3.22Å; L327-C339 HydrophobicContact CB-CB 4.32Å; L327-C339 HydrophobicContact CD1-CB 4.16Å; L327-C339 HydrophobicContact CG-CB 4.19Å
328D98.8Very high96.8Very high29 Ų2941.8 Ų41.816%0.15522%0.218CC..EExtended strand (participates in β ladder)trans-147.2124.5176.4-16538.4000111.4K25 W26 C337 V338K25-D328 VanDerWaalsContact CA-OD2 3.3Å; K25-D328 WeakPolarHBondContact CA-OD2 3.22Å; K25-D328 HydrophobicContact CD-CB 4.32Å; W26-D328 PolarHBondContact N-OD2 2.95Å; W26-D328 PolarHBondContact NE1-O 3.07Å; W26-D328 VanDerWaalsContact NE1-O 3.07Å; D328-C337 WeakPolarHBondContact O-CA 3.33Å; D328-C337 PolarHBondContact O-SG 2.97Å; D328-V338 HydrophobicContact CB-CG1 4.03Å; D328-V338 PolarHBondContact N-O 2.97Å; D328-V338 PolarHBondContact O-N 3.13Å
329W98.7Very high96.9Very high6 Ų636.9 Ų36.92%0.02319%0.188CC..EExtended strand (participates in β ladder)trans-77.2142.6174.8-74.2111000110.2W26 R266 L268 P269 L276 P331 C337 V351 L354W26-W329 VanDerWaalsContact CD1-C 3.41Å; R266-W329 PolarHBondContact O-NE1 3.37Å; L268-W329 HydrophobicContact CD1-CD2 3.75Å; L268-W329 HydrophobicContact CD1-CE3 3.72Å; L268-W329 HydrophobicContact CD1-CG 4.28Å; L268-W329 HydrophobicContact CD1-CH2 4.15Å; L268-W329 HydrophobicContact CD1-CZ2 4.14Å; L268-W329 HydrophobicContact CD1-CZ3 3.97Å; P269-W329 HydrophobicContact CG-CB 3.74Å; L276-W329 HydrophobicContact CB-CZ2 4.36Å; L276-W329 HydrophobicContact CD1-CH2 3.62Å; L276-W329 HydrophobicContact CD1-CZ2 3.22Å; L276-W329 HydrophobicContact CD1-CZ3 4.49Å; L276-W329 HydrophobicContact CG-CH2 4.24Å; L276-W329 HydrophobicContact CG-CZ2 3.55Å; W329-P331 WeakPolarHBondContact O-CD 3.3Å; W329-C337 HydrophobicContact CD2-CB 4.21Å; W329-C337 HydrophobicContact CE3-CB 3.56Å; W329-C337 HydrophobicContact CZ3-CB 3.76Å; W329-V351 HydrophobicContact CH2-CB 3.71Å; W329-V351 HydrophobicContact CH2-CG1 4.15Å; W329-V351 HydrophobicContact CH2-CG2 3.48Å; W329-V351 VanDerWaalsContact CH2-CG2 3.48Å; W329-V351 HydrophobicContact CZ3-CB 3.93Å; W329-V351 HydrophobicContact CZ3-CG2 3.74Å; W329-L354 HydrophobicContact CH2-CD1 4.41Å
330S98.1Very high96.9Very high2 Ų235 Ų351%0.01418%0.178CC..  trans-66.2124.3169.8-179.70000109.1Q270 D332 K333 L336Q270-S330 PolarHBondContact NE2-O 3.07Å; S330-D332 PolarHBondContact OG-N 3.04Å; S330-K333 PolarHBondContact OG-N 3Å; S330-K333 VanDerWaalsContact OG-N 3.13Å; S330-L336 WeakPolarHBondContact CB-O 3.48Å; S330-L336 PolarHBondContact N-O 2.82Å
331P93.3Very high97Very high59 Ų5934.6 Ų34.638%0.38318%0.175SC..SBendtrans-67.6-32.217227.8-33000110.8Q270 W329Q270-P331 PolarHBondContact NE2-O 3.25Å; W329-P331 WeakPolarHBondContact O-CD 3.3Å
332D93.5Very high97.3Very high73 Ų7331.8 Ų31.839%0.3915%0.152SC..SBendtrans-82.3-35.3-172.4-55.6-49.5000113.3C29 S30 S330C29-D332 WeakPolarHBondContact CA-OD1 3.32Å; C29-D332 WeakPolarHBondContact CA-OD2 3.42Å; C29-D332 PolarHBondContact N-OD1 3.33Å; C29-D332 PolarHBondContact N-OD2 2.73Å; S30-D332 PolarHBondContact N-OD2 2.79Å; S330-D332 PolarHBondContact OG-N 3.04Å
333K95.9Very high97.3Very high135 Ų13529.4 Ų29.459%0.58714%0.142SC*.SBendtrans-125.8105.2-174-65.9-171.6-179.8-177.20111.5S330 G335 L336S330-K333 PolarHBondContact OG-N 3Å; S330-K333 VanDerWaalsContact OG-N 3.13Å; K333-G335 PolarHBondContact O-N 2.77Å; K333-L336 HydrophobicContact CB-CB 3.92Å; K333-L336 HydrophobicContact CB-CD2 4.12Å; K333-L336 HydrophobicContact CD-CD2 4.18Å; K333-L336 WeakPolarHBondContact O-CB 3.46Å; K333-L336 PolarHBondContact O-N 2.93Å
334R97.3Very high97.3Very high143 Ų14332.1 Ų32.154%0.5415%0.154SC..THydrogen-bonded Turntrans-52.3126.5177.8-176.8175.661.1-173.2-6.5111.4L268 Q270 L336 L354L268-R334 HydrophobicContact CD2-CG 4.35Å; Q270-R334 HydrophobicContact CB-CB 4.46Å; Q270-R334 HydrophobicContact CB-CG 4.17Å; Q270-R334 HydrophobicContact CG-CB 4.06Å; Q270-R334 HydrophobicContact CG-CG 4.3Å; R334-L336 VanDerWaalsContact C-N 3.28Å; R334-L336 PolarHBondContact O-N 2.77Å; R334-L354 HydrophobicContact CG-CD1 4.33Å
335G96.6Very high97.3Very high2 Ų233.2 Ų33.22%0.02116%0.16CC..THydrogen-bonded Turntrans85.5-10178.300000114.6K333 I350 V351 L354K333-G335 PolarHBondContact O-N 2.77Å; G335-I350 CarbonylContact O-C 3.47Å; G335-I350 WeakPolarHBondContact O-CA 3.49Å; G335-V351 PolarHBondContact O-N 3.49Å; G335-L354 VanDerWaalsContact CA-CD1 3.48Å
336L98.1Very high97.4Very high28 Ų2832.6 Ų32.615%0.14716%0.156CC..EExtended strand (participates in β ladder)trans-80.2133.5169.6-173.968.1000109.2W26 S330 K333 R334 V348 I350W26-L336 HydrophobicContact CH2-CD2 3.79Å; W26-L336 HydrophobicContact CH2-CG 4.11Å; W26-L336 HydrophobicContact CZ2-CD2 3.96Å; W26-L336 HydrophobicContact CZ2-CG 3.83Å; W26-L336 HydrophobicContact CZ3-CD2 4.4Å; S330-L336 WeakPolarHBondContact CB-O 3.48Å; S330-L336 PolarHBondContact N-O 2.82Å; K333-L336 HydrophobicContact CB-CB 3.92Å; K333-L336 HydrophobicContact CB-CD2 4.12Å; K333-L336 HydrophobicContact CD-CD2 4.18Å; K333-L336 WeakPolarHBondContact O-CB 3.46Å; K333-L336 PolarHBondContact O-N 2.93Å; R334-L336 VanDerWaalsContact C-N 3.28Å; R334-L336 PolarHBondContact O-N 2.77Å; L336-V348 HydrophobicContact CD1-CG1 3.54Å; L336-I350 HydrophobicContact CD1-CG1 4.32Å
337C98.1Very high97.5Very high0 Ų033.1 Ų33.10%016%0.158CC..EExtended strand (participates in β ladder)trans-142.9151.8-176.6178.40000110L327 D328 W329 V348 L349L327-C337 WeakPolarHBondContact CD2-SG 3.39Å; L327-C337 VanDerWaalsContact CG-SG 3.51Å; D328-C337 WeakPolarHBondContact O-CA 3.33Å; D328-C337 PolarHBondContact O-SG 2.97Å; W329-C337 HydrophobicContact CD2-CB 4.21Å; W329-C337 HydrophobicContact CE3-CB 3.56Å; W329-C337 HydrophobicContact CZ3-CB 3.76Å; C337-V348 CarbonylContact O-C 3.57Å; C337-V348 WeakPolarHBondContact O-CA 3.4Å; C337-L349 HydrophobicContact CB-CB 4.18Å; C337-L349 PolarHBondContact N-O 3Å; C337-L349 PolarHBondContact O-N 3.18Å
338V98.6Very high97.5Very high0 Ų033 Ų330%016%0.157CC..EExtended strand (participates in β ladder)trans-120.7139.1168.267.70000108.9C24 W26 F33 L327 D328 V346 R347C24-V338 HydrophobicContact CB-CG1 4.45Å; W26-V338 HydrophobicContact CD2-CG1 4.46Å; W26-V338 HydrophobicContact CG-CG1 4.47Å; W26-V338 HydrophobicContact CZ2-CB 3.86Å; W26-V338 HydrophobicContact CZ2-CG1 4.3Å; F33-V338 HydrophobicContact CD1-CG2 4.4Å; F33-V338 HydrophobicContact CD2-CG2 4.03Å; F33-V338 HydrophobicContact CE1-CG2 4.46Å; F33-V338 HydrophobicContact CE2-CG2 4.12Å; F33-V338 HydrophobicContact CG-CG2 4.18Å; F33-V338 HydrophobicContact CZ-CG2 4.32Å; L327-V338 CarbonylContact C-O 3.52Å; L327-V338 WeakPolarHBondContact CA-O 3.22Å; D328-V338 HydrophobicContact CB-CG1 4.03Å; D328-V338 PolarHBondContact N-O 2.97Å; D328-V338 PolarHBondContact O-N 3.13Å; V338-V346 HydrophobicContact CG2-CG2 3.48Å; V338-V346 VanDerWaalsContact CG2-CG2 3.48Å; V338-R347 CarbonylContact C-O 3.56Å; V338-R347 WeakPolarHBondContact CA-O 3.37Å
339C98.6Very high97.5Very high0 Ų031.6 Ų31.60%015%0.15CC..EExtended strand (participates in β ladder)trans-135.9153.3171.372.90000111.3I324 S326 L327 V346 R347I324-C339 HydrophobicContact CG2-CB 3.78Å; S326-C339 VanDerWaalsContact O-CA 3.23Å; S326-C339 WeakPolarHBondContact O-CA 3.45Å; S326-C339 VanDerWaalsContact O-CB 3.27Å; S326-C339 WeakPolarHBondContact O-CB 3.35Å; L327-C339 HydrophobicContact CB-CB 4.32Å; L327-C339 HydrophobicContact CD1-CB 4.16Å; L327-C339 HydrophobicContact CG-CB 4.19Å; C339-V346 WeakPolarHBondContact O-CA 3.24Å; C339-V346 WeakPolarHBondContact O-CG2 3.2Å; C339-R347 PolarHBondContact N-O 2.83Å; C339-R347 PolarHBondContact O-N 2.88Å
340S98.2Very high97.4Very high0 Ų034.2 Ų34.20%016%0.163CC..EExtended strand (participates in β ladder)trans-120.714917585.30000110.6I324 S325 S326I324-S340 CarbonylContact C-O 3.45Å; I324-S340 WeakPolarHBondContact CA-O 3.3Å; S325-S340 PolarHBondContact N-O 3.07Å; S326-S340 PolarHBondContact N-O 2.95Å; S326-S340 PolarHBondContact O-N 3.38Å; S326-S340 WeakPolarHBondContact OG-CB 3.24Å; S326-S340 PolarHBondContact OG-OG 2.86Å
341S98.1Very high97.4Very high0 Ų034.4 Ų34.40%016%0.164CC..EExtended strand (participates in β ladder)trans-135.6155.7-179.21730000111.1V21 S320 Q322 P323 D343 Q344 T345V21-S341 WeakPolarHBondContact CG1-O 3.48Å; S320-S341 PolarHBondContact OG-OG 3.28Å; Q322-S341 PolarHBondContact O-OG 3.47Å; P323-S341 VanDerWaalsContact O-CA 3.23Å; P323-S341 WeakPolarHBondContact O-CA 3.4Å; P323-S341 WeakPolarHBondContact O-CB 3.25Å; P323-S341 PolarHBondContact O-OG 2.85Å; S341-D343 WeakPolarHBondContact CB-OD1 3.37Å; S341-D343 PolarHBondContact O-N 2.97Å; S341-D343 PolarHBondContact OG-N 2.8Å; S341-D343 PolarHBondContact OG-OD1 3.06Å; S341-Q344 PolarHBondContact O-N 3.19Å; S341-Q344 VanDerWaalsContact O-N 3.11Å; S341-T345 PolarHBondContact N-O 2.96Å; S341-T345 VanDerWaalsContact N-O 3.16Å
342F97.4Very high97.6Very high66 Ų6633.4 Ų33.429%0.28916%0.157SC..THydrogen-bonded Turntrans-71.7-0.4176.8-60.9-37.8000114.1T20 V21 F22 W263 Q322 P323 Q344T20-F342 HydrophobicContact CG2-CD1 4.38Å; V21-F342 WeakPolarHBondContact O-CE1 3.45Å; F22-F342 AromaticContact CD1-CE1 3.87Å; F22-F342 HydrophobicContact CD1-CE1 3.87Å; F22-F342 HydrophobicContact CD1-CZ 4.47Å; F22-F342 HydrophobicContact CE1-CE1 4.29Å; W263-F342 HydrophobicContact CH2-CE2 4.3Å; Q322-F342 HydrophobicContact CB-CB 4.15Å; P323-F342 HydrophobicContact CB-CD2 3.75Å; P323-F342 HydrophobicContact CB-CE2 4.11Å; P323-F342 HydrophobicContact CG-CD2 3.86Å; P323-F342 HydrophobicContact CG-CE2 4.42Å; P323-F342 PolarHBondContact O-N 3.42Å; P323-F342 VanDerWaalsContact O-N 3.14Å; F342-Q344 PolarHBondContact O-N 3.02Å
343D96.9Very high97.6Very high40 Ų4032.3 Ų32.321%0.21415%0.149CC..THydrogen-bonded Turntrans-75.515.5161.368.6-0.8000113S320 Q322 S341 T345 R347S320-D343 WeakPolarHBondContact CB-OD2 3.37Å; S320-D343 PolarHBondContact OG-OD2 3.02Å; Q322-D343 HydrophobicContact CB-CB 3.95Å; Q322-D343 HydrophobicContact CG-CB 3.86Å; S341-D343 WeakPolarHBondContact CB-OD1 3.37Å; S341-D343 PolarHBondContact O-N 2.97Å; S341-D343 PolarHBondContact OG-N 2.8Å; S341-D343 PolarHBondContact OG-OD1 3.06Å; D343-T345 PolarHBondContact O-N 2.9Å; D343-T345 PolarHBondContact O-OG1 3.31Å; D343-T345 WeakPolarHBondContact OD1-CB 3.49Å; D343-T345 PolarHBondContact OD1-N 3.38Å; D343-T345 VanDerWaalsContact OD1-N 3.16Å; D343-T345 PolarHBondContact OD1-OG1 2.92Å; D343-R347 IonicContact OD1-NH1 3.18Å; D343-R347 PolarHBondContact OD1-NH1 3Å; D343-R347 IonicContact OD1-NH2 3.88Å; D343-R347 IonicContact OD2-CZ 3.42Å; D343-R347 IonicContact OD2-NH1 3.21Å; D343-R347 PolarHBondContact OD2-NH1 3.47Å; D343-R347 IonicContact OD2-NH2 2.73Å; D343-R347 PolarHBondContact OD2-NH2 3.43Å
344Q97.5Very high97.5Very high75 Ų7526.3 Ų26.335%0.3512%0.123SC..THydrogen-bonded Turntrans56.735.3-178.5-55.3-175.7-2.400112.5G16 F17 Y19 S341 F342G16-Q344 CarbonylContact C-O 3.4Å; G16-Q344 WeakPolarHBondContact CA-O 3.09Å; F17-Q344 HydrophobicContact CB-CB 4.35Å; F17-Q344 WeakPolarHBondContact CB-O 3.5Å; F17-Q344 PolarHBondContact N-O 2.81Å; F17-Q344 PolarHBondContact O-OE1 2.9Å; Y19-Q344 WeakPolarHBondContact O-CG 3.38Å; S341-Q344 PolarHBondContact O-N 3.19Å; S341-Q344 VanDerWaalsContact O-N 3.11Å; F342-Q344 PolarHBondContact O-N 3.02Å
345T98Very high97Very high22 Ų2225 Ų2514%0.13512%0.123CC..EExtended strand (participates in β ladder)trans-125.1132.3-179.4-55.60000111.2Q14 K15 S341 D343 R347Q14-T345 HydrophobicContact CB-CG2 4.22Å; K15-T345 WeakPolarHBondContact O-CA 3.01Å; S341-T345 PolarHBondContact N-O 2.96Å; S341-T345 VanDerWaalsContact N-O 3.16Å; D343-T345 PolarHBondContact O-N 2.9Å; D343-T345 PolarHBondContact O-OG1 3.31Å; D343-T345 WeakPolarHBondContact OD1-CB 3.49Å; D343-T345 PolarHBondContact OD1-N 3.38Å; D343-T345 VanDerWaalsContact OD1-N 3.16Å; D343-T345 PolarHBondContact OD1-OG1 2.92Å; T345-R347 HydrophobicContact CG2-CG 4.04Å
346V98.3Very high96.4Very high0 Ų032.2 Ų32.20%015%0.154CC..EExtended strand (participates in β ladder)trans-94.214216467.80000110Q14 K15 F17 F33 T35 L56 V338 C339Q14-V346 WeakPolarHBondContact CA-O 3.37Å; K15-V346 HydrophobicContact CB-CG1 4.01Å; K15-V346 PolarHBondContact N-O 2.75Å; K15-V346 PolarHBondContact O-N 3.03Å; F17-V346 HydrophobicContact CE1-CG1 4.02Å; F17-V346 HydrophobicContact CE2-CB 3.61Å; F17-V346 HydrophobicContact CE2-CG1 3.82Å; F17-V346 HydrophobicContact CZ-CB 3.6Å; F17-V346 HydrophobicContact CZ-CG1 3.3Å; F33-V346 HydrophobicContact CE2-CG1 4.29Å; F33-V346 HydrophobicContact CE2-CG2 3.71Å; F33-V346 HydrophobicContact CZ-CG1 4.32Å; F33-V346 HydrophobicContact CZ-CG2 4.09Å; T35-V346 HydrophobicContact CG2-CB 4.32Å; T35-V346 HydrophobicContact CG2-CG2 4.04Å; L56-V346 HydrophobicContact CD1-CG1 3.93Å; V338-V346 HydrophobicContact CG2-CG2 3.48Å; V338-V346 VanDerWaalsContact CG2-CG2 3.48Å; C339-V346 WeakPolarHBondContact O-CA 3.24Å; C339-V346 WeakPolarHBondContact O-CG2 3.2Å
347R98.4Very high95.6Very high13 Ų1333.8 Ų33.85%0.04916%0.162CC..EExtended strand (participates in β ladder)trans-130.2129.4180-54.4-179.4167.675.3-2.3110.2I13 Q14 L319 V338 C339 D343 T345 L349I13-R347 CarbonylContact O-C 3.58Å; I13-R347 WeakPolarHBondContact O-CA 3.34Å; Q14-R347 HydrophobicContact CB-CG 4.41Å; Q14-R347 HydrophobicContact CG-CB 4.39Å; Q14-R347 HydrophobicContact CG-CG 3.93Å; L319-R347 PolarHBondContact O-NE 3.24Å; L319-R347 PolarHBondContact O-NH2 2.86Å; V338-R347 CarbonylContact C-O 3.56Å; V338-R347 WeakPolarHBondContact CA-O 3.37Å; C339-R347 PolarHBondContact N-O 2.83Å; C339-R347 PolarHBondContact O-N 2.88Å; D343-R347 IonicContact OD1-NH1 3.18Å; D343-R347 PolarHBondContact OD1-NH1 3Å; D343-R347 IonicContact OD1-NH2 3.88Å; D343-R347 IonicContact OD2-CZ 3.42Å; D343-R347 IonicContact OD2-NH1 3.21Å; D343-R347 PolarHBondContact OD2-NH1 3.47Å; D343-R347 IonicContact OD2-NH2 2.73Å; D343-R347 PolarHBondContact OD2-NH2 3.43Å; T345-R347 HydrophobicContact CG2-CG 4.04Å; R347-L349 HydrophobicContact CB-CD2 3.82Å
348V98.4Very high95.5Very high0 Ų035.5 Ų35.50%017%0.17CC..EExtended strand (participates in β ladder)trans-91.4121.9165.4179.40000107.6H12 I13 F33 I51 L56 L336 C337H12-V348 WeakPolarHBondContact CB-O 3.47Å; H12-V348 PolarHBondContact N-O 2.88Å; I13-V348 HydrophobicContact CB-CB 4.18Å; I13-V348 HydrophobicContact CB-CG2 4.49Å; I13-V348 PolarHBondContact N-O 2.62Å; I13-V348 PolarHBondContact O-N 3.2Å; F33-V348 HydrophobicContact CE1-CG2 3.91Å; F33-V348 HydrophobicContact CZ-CG2 4.41Å; I51-V348 HydrophobicContact CD1-CG1 4Å; I51-V348 HydrophobicContact CD1-CG2 4.15Å; I51-V348 HydrophobicContact CG1-CG2 4.43Å; L56-V348 HydrophobicContact CD1-CG2 4.44Å; L56-V348 HydrophobicContact CD2-CG2 4Å; L336-V348 HydrophobicContact CD1-CG1 3.54Å; C337-V348 CarbonylContact O-C 3.57Å; C337-V348 WeakPolarHBondContact O-CA 3.4Å
349L98.4Very high95.4Very high0 Ų037.4 Ų37.40%018%0.179CC..EExtended strand (participates in β ladder)trans-110.9146.8-176.1-47179.2000110.7I9 I10 A11 L284 L319 C337 R347I9-L349 HydrophobicContact CG2-CD1 4.38Å; I10-L349 CarbonylContact O-C 3.55Å; I10-L349 VanDerWaalsContact O-CA 3.24Å; I10-L349 WeakPolarHBondContact O-CA 3.06Å; A11-L349 HydrophobicContact CB-CD2 4.12Å; L284-L349 HydrophobicContact CD1-CD1 3.3Å; L319-L349 HydrophobicContact CD1-CD1 4.15Å; L319-L349 HydrophobicContact CD1-CD2 3.6Å; C337-L349 HydrophobicContact CB-CB 4.18Å; C337-L349 PolarHBondContact N-O 3Å; C337-L349 PolarHBondContact O-N 3.18Å; R347-L349 HydrophobicContact CB-CD2 3.82Å
350I98.1Very high95.2Very high61 Ų6139.4 Ų39.431%0.31319%0.189SC..EExtended strand (participates in β ladder)trans-116.3121.2167.9-62.2174.2000108.1I10 H12 G335 L336 T352I10-I350 PolarHBondContact N-O 3.49Å; I10-I350 PolarHBondContact O-N 2.66Å; H12-I350 HydrophobicContact CB-CD1 3.9Å; H12-I350 HydrophobicContact CB-CG1 4.02Å; G335-I350 CarbonylContact O-C 3.47Å; G335-I350 WeakPolarHBondContact O-CA 3.49Å; L336-I350 HydrophobicContact CD1-CG1 4.32Å; I350-T352 HydrophobicContact CG2-CG2 4.04Å
351V98.1Very high95Very high6 Ų641.8 Ų41.84%0.03620%0.2CC..EExtended strand (participates in β ladder)trans-105111.9174.2-172.50000109.3Q8 I9 L286 W329 G335 L354Q8-V351 VanDerWaalsContact O-CA 3.3Å; Q8-V351 WeakPolarHBondContact O-CA 3.49Å; I9-V351 HydrophobicContact CG1-CG1 4.3Å; I9-V351 HydrophobicContact CG1-CG2 4.19Å; I9-V351 HydrophobicContact CG2-CG2 4.32Å; L286-V351 HydrophobicContact CD2-CG1 3.96Å; W329-V351 HydrophobicContact CH2-CB 3.71Å; W329-V351 HydrophobicContact CH2-CG1 4.15Å; W329-V351 HydrophobicContact CH2-CG2 3.48Å; W329-V351 VanDerWaalsContact CH2-CG2 3.48Å; W329-V351 HydrophobicContact CZ3-CB 3.93Å; W329-V351 HydrophobicContact CZ3-CG2 3.74Å; G335-V351 PolarHBondContact O-N 3.49Å; V351-L354 HydrophobicContact CB-CD1 4.15Å; V351-L354 HydrophobicContact CG1-CD1 4.14Å; V351-L354 HydrophobicContact CG1-CD2 3.84Å; V351-L354 HydrophobicContact CG1-CG 4.1Å; V351-L354 WeakPolarHBondContact O-CD1 3.43Å
352T96.8Very high94.8Very high37 Ų3744.4 Ų44.423%0.22721%0.212CC..  trans-89.5165-17062.70000112.7P7 Q8 I10 I350 L354P7-T352 WeakPolarHBondContact CB-O 3.5Å; Q8-T352 WeakPolarHBondContact CB-OG1 3.37Å; Q8-T352 PolarHBondContact N-OG1 3.17Å; Q8-T352 PolarHBondContact O-N 2.71Å; Q8-T352 PolarHBondContact O-OG1 2.75Å; I10-T352 HydrophobicContact CD1-CG2 3.9Å; I350-T352 HydrophobicContact CG2-CG2 4.04Å; T352-L354 PolarHBondContact O-N 2.93Å
353K94.1Very high94.6Very high51 Ų5142.9 Ų42.922%0.22221%0.207CC..  trans60.815.9170.6-52.3176.8-162.4159.40116.2F4 E5 K6 H355 K356 I357F4-K353 PolarHBondContact O-NZ 2.93Å; E5-K353 WeakPolarHBondContact O-CD 3.5Å; K6-K353 WeakPolarHBondContact O-CD 3.4Å; K6-K353 PolarHBondContact O-NZ 3.2Å; K353-H355 PolarHBondContact O-N 2.91Å; K353-K356 PolarHBondContact O-N 3.36Å; K353-I357 WeakPolarHBondContact O-CG1 3.48Å
354L92.8Very high94.5Very high9 Ų943.1 Ų43.15%0.04721%0.207CC..THydrogen-bonded Turntrans-59.9-14.1176.2-62.2173.2000114.8L268 L274 L286 W329 R334 G335 V351 T352 I357L268-L354 HydrophobicContact CD1-CD1 4.03Å; L268-L354 HydrophobicContact CD2-CB 4.34Å; L268-L354 HydrophobicContact CD2-CD1 3.83Å; L268-L354 HydrophobicContact CD2-CG 4.48Å; L274-L354 HydrophobicContact CD1-CD2 3.91Å; L286-L354 HydrophobicContact CD2-CD2 4.07Å; W329-L354 HydrophobicContact CH2-CD1 4.41Å; R334-L354 HydrophobicContact CG-CD1 4.33Å; G335-L354 VanDerWaalsContact CA-CD1 3.48Å; V351-L354 HydrophobicContact CB-CD1 4.15Å; V351-L354 HydrophobicContact CG1-CD1 4.14Å; V351-L354 HydrophobicContact CG1-CD2 3.84Å; V351-L354 HydrophobicContact CG1-CG 4.1Å; V351-L354 WeakPolarHBondContact O-CD1 3.43Å; T352-L354 PolarHBondContact O-N 2.93Å; L354-I357 HydrophobicContact CD2-CD1 3.95Å
355H86.8Confident94.2Very high116 Ų11640.7 Ų40.754%0.53720%0.196SC..THydrogen-bonded Turntrans-85.9-12.2175.663.5-87.4000114K353K353-H355 PolarHBondContact O-N 2.91Å
356K85.8Confident93.9Very high153 Ų15342.3 Ų42.367%0.66520%0.201SC*.  trans-98.61.7-178.4-57.7-167.6174.5-172.10112.7K353K353-K356 PolarHBondContact O-N 3.36Å
357I81.3Confident93.5Very high61 Ų6146.1 Ų46.131%0.31322%0.219SC..  trans-104.60-168.1-56.8169.8000110.2P7 L274 K288 L314 K353 L354P7-I357 HydrophobicContact CB-CD1 4.36Å; P7-I357 HydrophobicContact CG-CD1 3.31Å; P7-I357 HydrophobicContact CG-CG1 4.14Å; L274-I357 HydrophobicContact CD1-CB 4.45Å; L274-I357 HydrophobicContact CD1-CD1 4.26Å; L274-I357 HydrophobicContact CD1-CG2 4.4Å; L274-I357 HydrophobicContact CD2-CG2 3.8Å; K288-I357 HydrophobicContact CD-CG2 3.82Å; K288-I357 PolarHBondContact NZ-OXT 3.05Å; L314-I357 HydrophobicContact CD1-CD1 4.03Å; L314-I357 HydrophobicContact CD1-CG2 3.83Å; K353-I357 WeakPolarHBondContact O-CG1 3.48Å; L354-I357 HydrophobicContact CD2-CD1 3.95Å

Retrieved 357 of 357 residues in 122.4 ms (Link to these results)

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