A0A087X6K1_POEFO Loading...

Transducin beta like 2

AlphaFold DB , UniProt , Accession A0A087X6K1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 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
1M51.9Low51.8Low34 Ų3458.5 Ų58.517%0.16733%0.332CS..  0148.30-150.7-176.6-166.800108.1M277 E287 L289 L309 F320 H321 A323M1-M277 HydrophobicContact CE-CE 3.5Å; M1-M277 VanDerWaalsContact CE-CE 3.5Å; M1-M277 HydrophobicContact CE-SD 3.26Å; M1-M277 WeakPolarHBondContact CE-SD 3.38Å; M1-M277 HydrophobicContact SD-CE 4.33Å; M1-M277 HydrophobicContact SD-SD 3.3Å; M1-E287 HydrophobicContact CB-CG 4.47Å; M1-E287 VanDerWaalsContact N-CD 3.32Å; M1-E287 PolarHBondContact N-OE2 3.42Å; M1-L289 HydrophobicContact CB-CD2 4Å; M1-L289 HydrophobicContact SD-CD1 4.04Å; M1-L309 HydrophobicContact CE-CB 4.05Å; M1-L309 HydrophobicContact CE-CD2 4.3Å; M1-F320 HydrophobicContact CE-CB 3.72Å; M1-F320 HydrophobicContact CG-CB 4.13Å; M1-F320 HydrophobicContact SD-CB 3.53Å; M1-F320 VanDerWaalsContact SD-CB 3.53Å; M1-F320 HydrophobicContact SD-CG 4.22Å; M1-H321 WeakPolarHBondContact CE-O 3.37Å; M1-H321 WeakPolarHBondContact CG-O 3.34Å; M1-A323 HydrophobicContact CG-CB 4.49Å
2R54.7Low53.6Low90 Ų9053.8 Ų53.834%0.3431%0.306SS..  trans-102.2140.2178.1-68.2-170.6177.4-176.54.6110.5I4 L364 A365 A366R2-I4 WeakPolarHBondContact O-CD1 3.46Å; R2-L364 PolarHBondContact NE-O 3.39Å; R2-L364 VanDerWaalsContact NE-O 3.16Å; R2-L364 PolarHBondContact NH1-O 2.96Å; R2-L364 PolarHBondContact NH2-O 3.45Å; R2-A365 PolarHBondContact NH1-O 3.06Å; R2-A366 WeakPolarHBondContact CD-O 3.35Å; R2-A366 PolarHBondContact NH1-O 3.1Å
3L54.4Low56.3Low65 Ų6549.7 Ų49.734%0.3428%0.283SS..EExtended strand (participates in β ladder)trans-75.3123.8168.1-178.463.6000106.9F5 V6 R318 F320L3-F5 WeakPolarHBondContact CD1-O 3.27Å; L3-V6 HydrophobicContact CD1-CG2 3.84Å; L3-V6 HydrophobicContact CD2-CG2 3.24Å; L3-V6 HydrophobicContact CG-CG2 3.56Å; L3-R318 HydrophobicContact CD1-CB 3.72Å; L3-R318 HydrophobicContact CD1-CG 3.95Å; L3-F320 HydrophobicContact CB-CD1 4.07Å; L3-F320 HydrophobicContact CB-CE1 3.71Å; L3-F320 HydrophobicContact CD1-CD1 4.04Å; L3-F320 HydrophobicContact CD1-CE1 3.48Å; L3-F320 VanDerWaalsContact CD1-CE1 3.48Å; L3-F320 HydrophobicContact CD1-CE2 4.1Å; L3-F320 HydrophobicContact CD1-CZ 3.51Å; L3-F320 HydrophobicContact CG-CE1 4.15Å
4I54.7Low58.8Low33 Ų3351.8 Ų51.817%0.16930%0.302CS..EExtended strand (participates in β ladder)trans-116.6-22.6-176.7-54.3107.6000111.5R2 L47 V319 H321R2-I4 WeakPolarHBondContact O-CD1 3.46Å; I4-L47 HydrophobicContact CG2-CD2 3.5Å; I4-V319 PolarHBondContact N-O 3.2Å; I4-H321 HydrophobicContact CD1-CB 3.48Å; I4-H321 VanDerWaalsContact CD1-CB 3.48Å; I4-H321 WeakPolarHBondContact CD1-CD2 3.4Å; I4-H321 WeakPolarHBondContact CG1-CD2 3.19Å
5F52.7Low60.9Low2 Ų249.2 Ų49.21%0.00929%0.291CS..EExtended strand (participates in β ladder)trans-132.4124.1176.1-176.5-94.9000109.4L3 W41 F46 H51 I317 R318 V319L3-F5 WeakPolarHBondContact CD1-O 3.27Å; F5-W41 HydrophobicContact CE2-CE3 4.33Å; F5-W41 HydrophobicContact CZ-CD2 4.07Å; F5-W41 AromaticContact CZ-CE3 3.58Å; F5-W41 HydrophobicContact CZ-CE3 3.58Å; F5-W41 AromaticContact CZ-CZ3 3.86Å; F5-W41 HydrophobicContact CZ-CZ3 3.86Å; F5-F46 HydrophobicContact CD2-CB 4.42Å; F5-F46 AromaticContact CD2-CD1 3.68Å; F5-F46 HydrophobicContact CD2-CD1 3.68Å; F5-F46 HydrophobicContact CD2-CE1 4.34Å; F5-F46 HydrophobicContact CD2-CG 4.33Å; F5-F46 HydrophobicContact CE1-CE1 4.48Å; F5-F46 AromaticContact CE2-CD1 3.74Å; F5-F46 HydrophobicContact CE2-CD1 3.74Å; F5-F46 HydrophobicContact CE2-CE1 4.12Å; F5-F46 HydrophobicContact CG-CD1 4.15Å; F5-F46 HydrophobicContact CZ-CD1 4.28Å; F5-F46 HydrophobicContact CZ-CE1 4.2Å; F5-H51 AromaticContact CD2-CD2 3.56Å; F5-H51 AromaticContact CD2-CE1 3.43Å; F5-H51 VanDerWaalsContact CD2-CE1 3.43Å; F5-H51 WeakPolarHBondContact CD2-CE1 3.45Å; F5-H51 AromaticContact CD2-CG 3.79Å; F5-H51 AromaticContact CD2-ND1 3.71Å; F5-H51 AromaticContact CD2-NE2 3.31Å; F5-H51 VanDerWaalsContact CD2-NE2 3.31Å; F5-H51 WeakPolarHBondContact CD2-NE2 3.25Å; F5-H51 HydrophobicContact CE2-CB 3.73Å; F5-H51 AromaticContact CE2-CD2 3.38Å; F5-H51 WeakPolarHBondContact CE2-CD2 3.31Å; F5-H51 AromaticContact CE2-CE1 3.76Å; F5-H51 AromaticContact CE2-CG 3.29Å; F5-H51 AromaticContact CE2-ND1 3.55Å; F5-H51 AromaticContact CE2-NE2 3.66Å; F5-H51 HydrophobicContact CZ-CB 4.4Å; F5-I317 HydrophobicContact CE1-CB 4.35Å; F5-I317 HydrophobicContact CE1-CG2 4.43Å; F5-R318 WeakPolarHBondContact O-CA 3.47Å; F5-V319 HydrophobicContact CB-CB 3.69Å; F5-V319 HydrophobicContact CB-CG2 3.95Å; F5-V319 HydrophobicContact CD1-CB 4.34Å; F5-V319 HydrophobicContact CD1-CG2 3.66Å; F5-V319 HydrophobicContact CE1-CG2 4.46Å; F5-V319 HydrophobicContact CG-CB 4.38Å; F5-V319 HydrophobicContact CG-CG2 4.1Å; F5-V319 PolarHBondContact N-O 2.7Å; F5-V319 PolarHBondContact O-N 3.25Å
6V57.6Low63Low55 Ų5548.9 Ų48.933%0.33329%0.287SS..EExtended strand (participates in β ladder)trans-121.8109162.4-176.60000106.5L3 C8 A316 I317 R318L3-V6 HydrophobicContact CD1-CG2 3.84Å; L3-V6 HydrophobicContact CD2-CG2 3.24Å; L3-V6 HydrophobicContact CG-CG2 3.56Å; V6-C8 HydrophobicContact CG1-CB 4.06Å; V6-C8 PolarHBondContact O-N 2.91Å; V6-A316 HydrophobicContact CG1-CB 4.33Å; V6-I317 WeakPolarHBondContact CA-O 3.5Å; V6-R318 HydrophobicContact CG2-CG 4.49Å
7S54.6Low65Low4 Ų446.1 Ų46.13%0.02827%0.271CS..EExtended strand (participates in β ladder)trans-88104.9162.3152.80000107.6G12 W41 A316 I317S7-G12 WeakPolarHBondContact OG-CA 3.46Å; S7-W41 WeakPolarHBondContact OG-CH2 3.3Å; S7-W41 VanDerWaalsContact OG-CZ2 3.26Å; S7-W41 WeakPolarHBondContact OG-CZ2 3.45Å; S7-A316 WeakPolarHBondContact O-CA 3.42Å; S7-A316 WeakPolarHBondContact O-CB 3.5Å; S7-I317 PolarHBondContact N-O 2.88Å; S7-I317 PolarHBondContact O-N 2.86Å; S7-I317 VanDerWaalsContact O-N 3.13Å
8C47.3Very low66.7Low66 Ų6645.2 Ų45.245%0.44627%0.266SS..  trans-124.9162.6168.265.60000110.6V6 Q11 G12 A316V6-C8 HydrophobicContact CG1-CB 4.06Å; V6-C8 PolarHBondContact O-N 2.91Å; C8-Q11 PolarHBondContact O-N 3.22Å; C8-G12 PolarHBondContact O-N 3.16Å; C8-A316 HydrophobicContact CB-CB 4.17Å
9A37.1Very low68.3Low61 Ų6142.8 Ų42.850%0.50425%0.252SS..THydrogen-bonded Turntrans-57.6141.117900000111.2
10P43.5Very low69.8Low122 Ų12240.8 Ų40.879%0.79224%0.24SC*.THydrogen-bonded Turncis-88.8-7.915.733.2-34.5000115.7
11Q61.4Low71.1Confident112 Ų11239.8 Ų39.852%0.52323%0.234SC..THydrogen-bonded Turntrans-90.4-12.7-177.1-68.7159-5.700112.8C8 R39 W41C8-Q11 PolarHBondContact O-N 3.22Å; Q11-R39 PolarHBondContact O-NH1 2.89Å; Q11-W41 WeakPolarHBondContact O-CH2 3.44Å
12G73.5Confident73.3Confident2 Ų239 Ų392%0.02123%0.23CC..SBendtrans-103.6-165.1174.200000115.4S7 C8 R39S7-G12 WeakPolarHBondContact OG-CA 3.46Å; C8-G12 PolarHBondContact O-N 3.16Å; G12-R39 VanDerWaalsContact C-CZ 3.5Å; G12-R39 PolarHBondContact O-NH1 2.85Å; G12-R39 PolarHBondContact O-NH2 3.47Å
13H88.3Confident75.3Confident0 Ų034.8 Ų34.80%021%0.213CC..  trans-68.1149.5177.3-74.6-76.2000112.3V17 S31 A33 D35 T37H13-V17 HydrophobicContact CB-CG2 3.99Å; H13-S31 PolarHBondContact NE2-OG 3.23Å; H13-A33 HydrophobicContact CB-CB 3.9Å; H13-A33 VanDerWaalsContact ND1-CB 3.27Å; H13-A33 WeakPolarHBondContact ND1-CB 3.24Å; H13-D35 VanDerWaalsContact CA-OD2 3.23Å; H13-D35 WeakPolarHBondContact CA-OD2 3.31Å; H13-D35 WeakPolarHBondContact CB-OD2 3.43Å; H13-D35 IonicContact CE1-OD1 3.95Å; H13-D35 IonicContact CG-OD2 3.86Å; H13-D35 IonicContact ND1-OD1 2.93Å; H13-D35 PolarHBondContact ND1-OD1 3.48Å; H13-D35 IonicContact ND1-OD2 3.19Å; H13-D35 PolarHBondContact ND1-OD2 3.22Å; H13-T37 PolarHBondContact CE1-O 3.07Å; H13-T37 PolarHBondContact CE1-OG1 2.89Å; H13-T37 PolarHBondContact ND1-OG1 2.73Å; H13-T37 VanDerWaalsContact ND1-OG1 3.07Å
14S90.9Very high77.1Confident79 Ų7933.3 Ų33.355%0.55221%0.209SC*.SBendtrans-96.2-14.7174.162.80000113.4D35 K315S14-D35 PolarHBondContact N-OD2 2.89Å; S14-D35 WeakPolarHBondContact OG-CB 3.49Å; S14-K315 WeakPolarHBondContact O-CD 3.45Å; S14-K315 WeakPolarHBondContact O-CE 3.29Å; S14-K315 PolarHBondContact O-NZ 2.93Å
15G91.4Very high79Confident13 Ų1335.1 Ų35.113%0.13422%0.219CC..SBendtrans-112.3175.7173.700000111.8K315G15-K315 WeakPolarHBondContact O-CA 3.3Å
16N93.9Very high80.9Confident44 Ų4435.1 Ų35.124%0.23522%0.22CC..  trans-70137.3-179.4-66.1-18.6000110.1A33 D34N16-A33 WeakPolarHBondContact O-CA 3.4Å; N16-A33 WeakPolarHBondContact O-CB 3.48Å; N16-D34 PolarHBondContact O-N 3.18Å
17V96.6Very high82.6Confident1 Ų137.7 Ų37.71%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-82.1121.4176.9-178.60000108.7H13 L20 C32 A33 T298 D314 I317H13-V17 HydrophobicContact CB-CG2 3.99Å; V17-L20 HydrophobicContact CG1-CD2 3.98Å; V17-C32 WeakPolarHBondContact CA-O 3.48Å; V17-C32 WeakPolarHBondContact CG1-O 3.41Å; V17-A33 HydrophobicContact CG2-CB 4.36Å; V17-T298 PolarHBondContact O-OG1 2.7Å; V17-D314 PolarHBondContact N-O 3.47Å; V17-I317 HydrophobicContact CG1-CG1 4.17Å; V17-I317 HydrophobicContact CG2-CG1 4.03Å
18T95.9Very high84.5Confident30 Ų3039.6 Ų39.618%0.18423%0.233CC..EExtended strand (participates in β ladder)trans-98-28.8-171.858.20000112.4C32 M64T18-C32 PolarHBondContact N-O 3.01Å; T18-C32 PolarHBondContact OG1-O 3.34Å; T18-C32 PolarHBondContact OG1-SG 2.86Å; T18-M64 VanDerWaalsContact CB-O 3.28Å; T18-M64 WeakPolarHBondContact CB-O 3.36Å; T18-M64 PolarHBondContact OG1-O 3.22Å
19C97.5Very high86.9Confident1 Ų136.5 Ų36.51%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-157.4151.5-175.5-169.10000112.6S31 C32 M64 L65 R67 D299C19-S31 WeakPolarHBondContact O-CA 3.49Å; C19-C32 PolarHBondContact O-N 3.45Å; C19-C32 VanDerWaalsContact O-N 3.16Å; C19-M64 WeakPolarHBondContact CB-O 3.39Å; C19-L65 HydrophobicContact CB-CD2 4.07Å; C19-R67 VanDerWaalsContact SG-CZ 3.56Å; C19-R67 PolarHBondContact SG-NH1 2.94Å; C19-R67 PolarHBondContact SG-NH2 2.97Å; C19-D299 PolarHBondContact SG-OD2 2.98Å
20L97.9Very high89.7Confident1 Ų133.6 Ų33.61%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-128.8150.4178.8-62.6177.1000110.7V17 L29 A30 R67 D299 R301 A310 I317V17-L20 HydrophobicContact CG1-CD2 3.98Å; L20-L29 HydrophobicContact CB-CD1 4.23Å; L20-A30 CarbonylContact C-O 3.57Å; L20-A30 VanDerWaalsContact CA-O 3.3Å; L20-A30 WeakPolarHBondContact CA-O 3.4Å; L20-R67 PolarHBondContact O-NH1 3.47Å; L20-D299 HydrophobicContact CB-CB 4.43Å; L20-D299 HydrophobicContact CG-CB 4.43Å; L20-D299 PolarHBondContact N-OD2 3.18Å; L20-D299 VanDerWaalsContact O-OD2 3.13Å; L20-R301 WeakPolarHBondContact O-CD 3.3Å; L20-R301 PolarHBondContact O-NE 2.91Å; L20-A310 HydrophobicContact CD1-CB 4.14Å; L20-I317 HydrophobicContact CD1-CG2 4.19Å; L20-I317 HydrophobicContact CD2-CD1 4.06Å; L20-I317 HydrophobicContact CD2-CG1 4.09Å; L20-I317 HydrophobicContact CD2-CG2 4.02Å
21D97.9Very high92.3Very high20 Ų2027.8 Ų27.811%0.10715%0.15CC..EExtended strand (participates in β ladder)trans-153.4133.2168.4-159.341.9000113.3L29 A30 R67 F68 R301D21-L29 CarbonylContact O-C 3.58Å; D21-L29 WeakPolarHBondContact O-CA 3.27Å; D21-A30 PolarHBondContact N-O 3.49Å; D21-A30 PolarHBondContact O-N 3.41Å; D21-R67 IonicContact OD1-NH1 3.83Å; D21-R67 VanDerWaalsContact OD2-CA 3.24Å; D21-R67 WeakPolarHBondContact OD2-CA 3.45Å; D21-F68 HydrophobicContact CB-CD2 4.43Å; D21-F68 WeakPolarHBondContact O-CD2 3.47Å; D21-F68 WeakPolarHBondContact O-CE2 2.95Å; D21-F68 PolarHBondContact OD2-N 3.3Å; D21-R301 IonicContact OD1-CZ 3.24Å; D21-R301 IonicContact OD1-NH1 3.61Å; D21-R301 PolarHBondContact OD1-NH1 2.82Å
22F97.1Very high94Very high19 Ų1922.4 Ų22.48%0.08313%0.125CC..EExtended strand (participates in β ladder)trans-85.9135.7172.6-77.4-77.6000110Y28 L29 T43 F46 F302 D303 A310F22-Y28 WeakPolarHBondContact CA-O 3.44Å; F22-L29 HydrophobicContact CD1-CB 4.04Å; F22-L29 HydrophobicContact CD1-CD1 4.04Å; F22-L29 HydrophobicContact CD2-CD1 4.11Å; F22-L29 HydrophobicContact CE1-CB 3.91Å; F22-L29 HydrophobicContact CE1-CD1 3.97Å; F22-L29 HydrophobicContact CE1-CD2 4.48Å; F22-L29 HydrophobicContact CE1-CG 4.34Å; F22-L29 HydrophobicContact CE2-CD1 4.04Å; F22-L29 HydrophobicContact CG-CD1 4.12Å; F22-L29 HydrophobicContact CZ-CD1 3.97Å; F22-L29 HydrophobicContact CZ-CD2 4.43Å; F22-T43 HydrophobicContact CD1-CG2 4.02Å; F22-T43 HydrophobicContact CE1-CG2 3.9Å; F22-F46 AromaticContact CE1-CE2 3.94Å; F22-F46 HydrophobicContact CE1-CE2 3.94Å; F22-F46 HydrophobicContact CE1-CZ 4.31Å; F22-F46 HydrophobicContact CZ-CE2 4.35Å; F22-F302 WeakPolarHBondContact CD2-O 3.44Å; F22-D303 HydrophobicContact CD1-CB 3.91Å; F22-D303 HydrophobicContact CD2-CB 4.16Å; F22-D303 HydrophobicContact CE1-CB 3.7Å; F22-D303 HydrophobicContact CE2-CB 3.96Å; F22-D303 HydrophobicContact CG-CB 4.13Å; F22-D303 HydrophobicContact CZ-CB 3.72Å; F22-A310 HydrophobicContact CE2-CB 3.79Å; F22-A310 HydrophobicContact CZ-CB 3.85Å
23S96.3Very high95Very high0 Ų022.3 Ų22.30%012%0.124CC..  trans-64.1145.4173.561.80000110.7N25 G26 K27 Y28 F68S23-N25 PolarHBondContact O-N 2.91Å; S23-N25 PolarHBondContact OG-OD1 3.42Å; S23-G26 WeakPolarHBondContact O-CA 3.43Å; S23-G26 PolarHBondContact O-N 3.41Å; S23-K27 PolarHBondContact OG-N 2.94Å; S23-Y28 PolarHBondContact N-O 3.44Å; S23-Y28 PolarHBondContact OG-N 3.49Å; S23-Y28 PolarHBondContact OG-O 2.86Å; S23-F68 VanDerWaalsContact CA-CD2 3.45Å; S23-F68 VanDerWaalsContact N-CD2 3.29Å
24S93.8Very high95.3Very high35 Ų3525.7 Ų25.725%0.24514%0.142CC..THydrogen-bonded Turntrans-60.7-22.3-178.1-360000113.6G26 E122S24-G26 VanDerWaalsContact C-N 3.33Å; S24-E122 WeakPolarHBondContact CB-OE2 3.38Å; S24-E122 PolarHBondContact OG-OE1 3.39Å; S24-E122 PolarHBondContact OG-OE2 3.19Å
25N93.9Very high95.4Very high70 Ų7023 Ų2337%0.37412%0.122SC..THydrogen-bonded Turntrans-84.1-1.5172.672.624.9000114.7S23 K27 S72S23-N25 PolarHBondContact O-N 2.91Å; S23-N25 PolarHBondContact OG-OD1 3.42Å; N25-K27 PolarHBondContact O-N 3.35Å; N25-K27 WeakPolarHBondContact OD1-CB 3.44Å; N25-K27 WeakPolarHBondContact OD1-CG 3.44Å; N25-K27 PolarHBondContact OD1-N 2.93Å; N25-S72 PolarHBondContact N-OG 3.31Å; N25-S72 WeakPolarHBondContact ND2-CB 3.15Å; N25-S72 PolarHBondContact ND2-OG 3.45Å
26G93.1Very high95.5Very high3 Ų328.9 Ų28.93%0.03114%0.14CC..SBendtrans70.15.1178.700000116.3S23 S24 T43 I304S23-G26 WeakPolarHBondContact O-CA 3.43Å; S23-G26 PolarHBondContact O-N 3.41Å; S24-G26 VanDerWaalsContact C-N 3.33Å; G26-T43 WeakPolarHBondContact O-CG2 3.37Å; G26-T43 PolarHBondContact O-OG1 2.85Å; G26-I304 VanDerWaalsContact CA-CG2 3.41Å
27K92.9Very high95.5Very high108 Ų10826.8 Ų26.847%0.4713%0.129SC..SBendtrans-88.5-21.6-175.3-62.5178.1-178.4174.60113.4S23 N25 T43S23-K27 PolarHBondContact OG-N 2.94Å; N25-K27 PolarHBondContact O-N 3.35Å; N25-K27 WeakPolarHBondContact OD1-CB 3.44Å; N25-K27 WeakPolarHBondContact OD1-CG 3.44Å; N25-K27 PolarHBondContact OD1-N 2.93Å; K27-T43 WeakPolarHBondContact CA-OG1 3.5Å; K27-T43 PolarHBondContact O-N 3.14Å; K27-T43 PolarHBondContact O-OG1 3.18Å
28Y94.8Very high95.5Very high45 Ų4526.8 Ų26.818%0.17613%0.129CC..EExtended strand (participates in β ladder)trans-129.6150.3-174.9-50.7-68.6000113F22 S23 I40 W41 F98F22-Y28 WeakPolarHBondContact CA-O 3.44Å; S23-Y28 PolarHBondContact N-O 3.44Å; S23-Y28 PolarHBondContact OG-N 3.49Å; S23-Y28 PolarHBondContact OG-O 2.86Å; Y28-I40 HydrophobicContact CD1-CG2 4.04Å; Y28-I40 HydrophobicContact CG-CG2 4.1Å; Y28-W41 CarbonylContact C-O 3.59Å; Y28-W41 WeakPolarHBondContact CA-O 3.26Å; Y28-F98 WeakPolarHBondContact OH-CZ 3.43Å
29L96.6Very high95.5Very high0 Ų026.7 Ų26.70%013%0.125CC..EExtended strand (participates in β ladder)trans-117.1130.4163.817367.3000107.7L20 D21 F22 I40 W41 F46 A310 I317L20-L29 HydrophobicContact CB-CD1 4.23Å; D21-L29 CarbonylContact O-C 3.58Å; D21-L29 WeakPolarHBondContact O-CA 3.27Å; F22-L29 HydrophobicContact CD1-CB 4.04Å; F22-L29 HydrophobicContact CD1-CD1 4.04Å; F22-L29 HydrophobicContact CD2-CD1 4.11Å; F22-L29 HydrophobicContact CE1-CB 3.91Å; F22-L29 HydrophobicContact CE1-CD1 3.97Å; F22-L29 HydrophobicContact CE1-CD2 4.48Å; F22-L29 HydrophobicContact CE1-CG 4.34Å; F22-L29 HydrophobicContact CE2-CD1 4.04Å; F22-L29 HydrophobicContact CG-CD1 4.12Å; F22-L29 HydrophobicContact CZ-CD1 3.97Å; F22-L29 HydrophobicContact CZ-CD2 4.43Å; L29-I40 CarbonylContact O-C 3.51Å; L29-I40 WeakPolarHBondContact O-CA 3.39Å; L29-W41 HydrophobicContact CB-CB 4.26Å; L29-W41 PolarHBondContact N-O 2.93Å; L29-W41 VanDerWaalsContact O-CD1 3.28Å; L29-W41 PolarHBondContact O-N 2.98Å; L29-F46 HydrophobicContact CB-CZ 3.82Å; L29-F46 HydrophobicContact CD2-CE1 4.4Å; L29-F46 HydrophobicContact CD2-CZ 3.7Å; L29-F46 HydrophobicContact CG-CZ 4.42Å; L29-A310 HydrophobicContact CD2-CB 4.42Å; L29-I317 HydrophobicContact CD2-CG2 4.16Å
30A97.3Very high95.4Very high0 Ų026.7 Ų26.70%013%0.125CC..EExtended strand (participates in β ladder)trans-99.7142.9170.600000109.1L20 D21 R39 I40 V66 F68L20-A30 CarbonylContact C-O 3.57Å; L20-A30 VanDerWaalsContact CA-O 3.3Å; L20-A30 WeakPolarHBondContact CA-O 3.4Å; D21-A30 PolarHBondContact N-O 3.49Å; D21-A30 PolarHBondContact O-N 3.41Å; A30-R39 CarbonylContact C-O 3.44Å; A30-R39 WeakPolarHBondContact CA-O 3.41Å; A30-I40 HydrophobicContact CB-CD1 3.64Å; A30-V66 HydrophobicContact CB-CG1 4.07Å; A30-V66 HydrophobicContact CB-CG2 3.84Å; A30-F68 HydrophobicContact CB-CD2 3.99Å; A30-F68 HydrophobicContact CB-CE2 3.37Å; A30-F68 HydrophobicContact CB-CZ 3.71Å
31S97.1Very high95.1Very high0 Ų026.9 Ų26.90%013%0.125CC..EExtended strand (participates in β ladder)trans-136.9141.5171.2610000110.2H13 C19 I38 R39 W41 I317H13-S31 PolarHBondContact NE2-OG 3.23Å; C19-S31 WeakPolarHBondContact O-CA 3.49Å; S31-I38 CarbonylContact O-C 3.58Å; S31-I38 WeakPolarHBondContact O-CA 2.78Å; S31-R39 PolarHBondContact N-O 2.77Å; S31-R39 PolarHBondContact O-N 2.93Å; S31-R39 PolarHBondContact OG-O 3.24Å; S31-W41 PolarHBondContact OG-NE1 2.76Å; S31-I317 VanDerWaalsContact OG-CD1 3.25Å; S31-I317 WeakPolarHBondContact OG-CD1 3.25Å
32C96.7Very high94.8Very high0 Ų027.3 Ų27.30%013%0.13CC..EExtended strand (participates in β ladder)trans-122.2151.9171.263.20000111.1V17 T18 C19 I38 A63 M64 V66V17-C32 WeakPolarHBondContact CA-O 3.48Å; V17-C32 WeakPolarHBondContact CG1-O 3.41Å; T18-C32 PolarHBondContact N-O 3.01Å; T18-C32 PolarHBondContact OG1-O 3.34Å; T18-C32 PolarHBondContact OG1-SG 2.86Å; C19-C32 PolarHBondContact O-N 3.45Å; C19-C32 VanDerWaalsContact O-N 3.16Å; C32-I38 HydrophobicContact CB-CG1 3.9Å; C32-A63 HydrophobicContact CB-CB 3.78Å; C32-A63 PolarHBondContact SG-O 2.98Å; C32-M64 VanDerWaalsContact SG-C 3.57Å; C32-V66 HydrophobicContact CB-CB 4.31Å; C32-V66 HydrophobicContact CB-CG1 4.27Å
33A95.8Very high94.5Very high0 Ų026.6 Ų26.60%013%0.127CC..EExtended strand (participates in β ladder)trans-148.4168.2-177.300000112.3H13 N16 V17 D35 R36 T37H13-A33 HydrophobicContact CB-CB 3.9Å; H13-A33 VanDerWaalsContact ND1-CB 3.27Å; H13-A33 WeakPolarHBondContact ND1-CB 3.24Å; N16-A33 WeakPolarHBondContact O-CA 3.4Å; N16-A33 WeakPolarHBondContact O-CB 3.48Å; V17-A33 HydrophobicContact CG2-CB 4.36Å; A33-D35 PolarHBondContact O-N 3.05Å; A33-R36 PolarHBondContact O-N 3.01Å; A33-T37 PolarHBondContact N-O 3.43Å
34D93.2Very high94.1Very high70 Ų7033.8 Ų33.837%0.37416%0.159SC..THydrogen-bonded Turntrans-62.7-12176.3-55.1-24.9000113.5N16 R36 H62N16-D34 PolarHBondContact O-N 3.18Å; D34-R36 PolarHBondContact O-N 3.44Å; D34-R36 VanDerWaalsContact O-N 3.14Å; D34-H62 IonicContact OD1-CD2 3.95Å
35D93.1Very high93.7Very high23 Ų2334 Ų3412%0.12316%0.157CC..THydrogen-bonded Turntrans-76.310.3177.469.27.7000114.4H13 S14 A33 T37H13-D35 VanDerWaalsContact CA-OD2 3.23Å; H13-D35 WeakPolarHBondContact CA-OD2 3.31Å; H13-D35 WeakPolarHBondContact CB-OD2 3.43Å; H13-D35 IonicContact CE1-OD1 3.95Å; H13-D35 IonicContact CG-OD2 3.86Å; H13-D35 IonicContact ND1-OD1 2.93Å; H13-D35 PolarHBondContact ND1-OD1 3.48Å; H13-D35 IonicContact ND1-OD2 3.19Å; H13-D35 PolarHBondContact ND1-OD2 3.22Å; S14-D35 PolarHBondContact N-OD2 2.89Å; S14-D35 WeakPolarHBondContact OG-CB 3.49Å; A33-D35 PolarHBondContact O-N 3.05Å; D35-T37 VanDerWaalsContact CG-OG1 3.24Å; D35-T37 WeakPolarHBondContact O-CG2 3.35Å; D35-T37 PolarHBondContact O-N 3.4Å; D35-T37 VanDerWaalsContact OD1-CB 3.29Å; D35-T37 WeakPolarHBondContact OD1-CB 2.94Å; D35-T37 PolarHBondContact OD1-N 2.77Å; D35-T37 PolarHBondContact OD1-OG1 3.3Å; D35-T37 PolarHBondContact OD2-OG1 3.44Å
36R94.4Very high93.3Very high136 Ų13630.8 Ų30.851%0.51314%0.14SC..SBendtrans65.817.2-179.2-46.8-173.5-177-179.7-2.4113.6A33 D34 V58 D61 H62A33-R36 PolarHBondContact O-N 3.01Å; D34-R36 PolarHBondContact O-N 3.44Å; D34-R36 VanDerWaalsContact O-N 3.14Å; R36-V58 PolarHBondContact O-N 2.85Å; R36-D61 WeakPolarHBondContact CB-O 3.38Å; R36-D61 WeakPolarHBondContact CD-O 2.98Å; R36-D61 WeakPolarHBondContact CG-O 3.05Å; R36-H62 HydrophobicContact CG-CB 4.14Å
37T94.4Very high92.7Very high1 Ų135.6 Ų35.61%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-114.7145.117976.60000111.5H13 A33 D35 R55 A56H13-T37 PolarHBondContact CE1-O 3.07Å; H13-T37 PolarHBondContact CE1-OG1 2.89Å; H13-T37 PolarHBondContact ND1-OG1 2.73Å; H13-T37 VanDerWaalsContact ND1-OG1 3.07Å; A33-T37 PolarHBondContact N-O 3.43Å; D35-T37 VanDerWaalsContact CG-OG1 3.24Å; D35-T37 WeakPolarHBondContact O-CG2 3.35Å; D35-T37 PolarHBondContact O-N 3.4Å; D35-T37 VanDerWaalsContact OD1-CB 3.29Å; D35-T37 WeakPolarHBondContact OD1-CB 2.94Å; D35-T37 PolarHBondContact OD1-N 2.77Å; D35-T37 PolarHBondContact OD1-OG1 3.3Å; D35-T37 PolarHBondContact OD2-OG1 3.44Å; T37-R55 HydrophobicContact CG2-CG 4.27Å; T37-R55 VanDerWaalsContact CG2-CZ 3.49Å; T37-A56 WeakPolarHBondContact CA-O 3.36Å
38I96.3Very high92Very high0 Ų035.9 Ų35.90%017%0.167CC..EExtended strand (participates in β ladder)trans-111.6126.3162.3-61144.6000105.8S31 C32 I40 A56 V58 A63 V66 F75 T77 F88S31-I38 CarbonylContact O-C 3.58Å; S31-I38 WeakPolarHBondContact O-CA 2.78Å; C32-I38 HydrophobicContact CB-CG1 3.9Å; I38-I40 HydrophobicContact CG2-CD1 4.2Å; I38-A56 HydrophobicContact CB-CB 4.27Å; I38-A56 PolarHBondContact N-O 3.5Å; I38-A56 PolarHBondContact O-N 3.07Å; I38-V58 HydrophobicContact CD1-CG2 3.51Å; I38-V58 HydrophobicContact CG1-CG2 4.24Å; I38-A63 HydrophobicContact CD1-CB 3.93Å; I38-A63 HydrophobicContact CG1-CB 3.91Å; I38-V66 HydrophobicContact CG2-CG2 4.12Å; I38-F75 HydrophobicContact CB-CE2 4.47Å; I38-F75 HydrophobicContact CD1-CE2 3.85Å; I38-F75 HydrophobicContact CG2-CE2 3.98Å; I38-F75 HydrophobicContact CG2-CZ 4.16Å; I38-T77 HydrophobicContact CD1-CG2 3.3Å; I38-T77 HydrophobicContact CG1-CG2 4.13Å; I38-F88 HydrophobicContact CD1-CE2 4.24Å
39R95Very high90.8Very high28 Ų2843.5 Ų43.511%0.10620%0.196CC..EExtended strand (participates in β ladder)trans-109.8136.2179.9-68.2179.5179.9-125.45.1109.7Q11 G12 A30 S31 W41 C53 L54Q11-R39 PolarHBondContact O-NH1 2.89Å; G12-R39 VanDerWaalsContact C-CZ 3.5Å; G12-R39 PolarHBondContact O-NH1 2.85Å; G12-R39 PolarHBondContact O-NH2 3.47Å; A30-R39 CarbonylContact C-O 3.44Å; A30-R39 WeakPolarHBondContact CA-O 3.41Å; S31-R39 PolarHBondContact N-O 2.77Å; S31-R39 PolarHBondContact O-N 2.93Å; S31-R39 PolarHBondContact OG-O 3.24Å; R39-W41 HydrophobicContact CB-CZ2 3.89Å; R39-W41 HydrophobicContact CG-CZ2 4.41Å; R39-C53 HydrophobicContact CB-CB 4.21Å; R39-C53 PolarHBondContact NH1-SG 3.14Å; R39-L54 CarbonylContact C-O 3.45Å; R39-L54 VanDerWaalsContact CA-O 3.3Å; R39-L54 WeakPolarHBondContact CA-O 3.41Å
40I95.2Very high89.7Confident2 Ų250 Ų501%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-112.2121.7175.2-48.8-59.5000108.2Y28 L29 A30 I38 C53 L54 F68 F75 M90 F100Y28-I40 HydrophobicContact CD1-CG2 4.04Å; Y28-I40 HydrophobicContact CG-CG2 4.1Å; L29-I40 CarbonylContact O-C 3.51Å; L29-I40 WeakPolarHBondContact O-CA 3.39Å; A30-I40 HydrophobicContact CB-CD1 3.64Å; I38-I40 HydrophobicContact CG2-CD1 4.2Å; I40-C53 WeakPolarHBondContact O-CA 3.49Å; I40-L54 HydrophobicContact CB-CB 4.21Å; I40-L54 HydrophobicContact CB-CD1 4.46Å; I40-L54 PolarHBondContact N-O 3.16Å; I40-L54 PolarHBondContact O-N 3.37Å; I40-F68 HydrophobicContact CD1-CE1 4.22Å; I40-F68 HydrophobicContact CD1-CZ 3.86Å; I40-F68 HydrophobicContact CG2-CZ 4.06Å; I40-F75 HydrophobicContact CD1-CD1 4.26Å; I40-F75 HydrophobicContact CD1-CE1 4.1Å; I40-F75 HydrophobicContact CG1-CE1 4.48Å; I40-M90 HydrophobicContact CG2-CE 4.38Å; I40-F100 HydrophobicContact CB-CZ 4.35Å; I40-F100 HydrophobicContact CG1-CE1 3.82Å; I40-F100 HydrophobicContact CG1-CZ 3.71Å
41W93.1Very high88.7Confident4 Ų451.4 Ų51.42%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-108.8138.7-176.4-49.288.6000109.7F5 S7 Q11 Y28 L29 S31 R39 F46 H51 C53 I317F5-W41 HydrophobicContact CE2-CE3 4.33Å; F5-W41 HydrophobicContact CZ-CD2 4.07Å; F5-W41 AromaticContact CZ-CE3 3.58Å; F5-W41 HydrophobicContact CZ-CE3 3.58Å; F5-W41 AromaticContact CZ-CZ3 3.86Å; F5-W41 HydrophobicContact CZ-CZ3 3.86Å; S7-W41 WeakPolarHBondContact OG-CH2 3.3Å; S7-W41 VanDerWaalsContact OG-CZ2 3.26Å; S7-W41 WeakPolarHBondContact OG-CZ2 3.45Å; Q11-W41 WeakPolarHBondContact O-CH2 3.44Å; Y28-W41 CarbonylContact C-O 3.59Å; Y28-W41 WeakPolarHBondContact CA-O 3.26Å; L29-W41 HydrophobicContact CB-CB 4.26Å; L29-W41 PolarHBondContact N-O 2.93Å; L29-W41 VanDerWaalsContact O-CD1 3.28Å; L29-W41 PolarHBondContact O-N 2.98Å; S31-W41 PolarHBondContact OG-NE1 2.76Å; R39-W41 HydrophobicContact CB-CZ2 3.89Å; R39-W41 HydrophobicContact CG-CZ2 4.41Å; W41-F46 HydrophobicContact CB-CE1 3.94Å; W41-H51 HydrophobicContact CZ3-CB 4.4Å; W41-C53 HydrophobicContact CD2-CB 3.8Å; W41-C53 HydrophobicContact CE3-CB 3.55Å; W41-C53 HydrophobicContact CH2-CB 3.79Å; W41-C53 HydrophobicContact CZ2-CB 4.04Å; W41-C53 HydrophobicContact CZ3-CB 3.56Å; W41-I317 HydrophobicContact CZ2-CD1 4.01Å
42S91.6Very high87.8Confident29 Ų2959.4 Ų59.420%0.20327%0.267CS..EExtended strand (participates in β ladder)trans-78.2127.6169.5168.10000109.5K44 D45S42-K44 PolarHBondContact O-N 2.99Å; S42-K44 PolarHBondContact OG-N 3.41Å; S42-D45 VanDerWaalsContact CB-CG 3.42Å; S42-D45 VanDerWaalsContact CB-OD1 3.27Å; S42-D45 WeakPolarHBondContact CB-OD1 3.2Å; S42-D45 WeakPolarHBondContact CB-OD2 3.47Å; S42-D45 PolarHBondContact O-N 3.29Å; S42-D45 PolarHBondContact OG-OD1 2.7Å
43T89.8Confident87.3Confident5 Ų561 Ų613%0.03128%0.278CS..THydrogen-bonded Turntrans-71.9-15.4178.860.50000113.2F22 G26 K27 D45 F46F22-T43 HydrophobicContact CD1-CG2 4.02Å; F22-T43 HydrophobicContact CE1-CG2 3.9Å; G26-T43 WeakPolarHBondContact O-CG2 3.37Å; G26-T43 PolarHBondContact O-OG1 2.85Å; K27-T43 WeakPolarHBondContact CA-OG1 3.5Å; K27-T43 PolarHBondContact O-N 3.14Å; K27-T43 PolarHBondContact O-OG1 3.18Å; T43-D45 VanDerWaalsContact C-N 3.35Å; T43-F46 HydrophobicContact CG2-CE2 3.84Å; T43-F46 HydrophobicContact CG2-CZ 4.05Å
44K87.9Confident87.1Confident151 Ų15163.6 Ų63.666%0.65729%0.292SS*.THydrogen-bonded Turntrans-73.3-33.6174.2-64.8-176.8176.1-173.40111.5S42 F46S42-K44 PolarHBondContact O-N 2.99Å; S42-K44 PolarHBondContact OG-N 3.41Å; K44-F46 PolarHBondContact O-N 2.84Å
45D85.9Confident87.1Confident39 Ų3967 Ų6721%0.20930%0.299CS..G310 helixtrans-81.3-7.7-173.2-50.715000110.7S42 T43 L47 E48 H51S42-D45 VanDerWaalsContact CB-CG 3.42Å; S42-D45 VanDerWaalsContact CB-OD1 3.27Å; S42-D45 WeakPolarHBondContact CB-OD1 3.2Å; S42-D45 WeakPolarHBondContact CB-OD2 3.47Å; S42-D45 PolarHBondContact O-N 3.29Å; S42-D45 PolarHBondContact OG-OD1 2.7Å; T43-D45 VanDerWaalsContact C-N 3.35Å; D45-L47 PolarHBondContact O-N 3.01Å; D45-L47 VanDerWaalsContact O-N 3.14Å; D45-E48 WeakPolarHBondContact O-CB 3.27Å; D45-E48 PolarHBondContact O-N 3.35Å; D45-H51 PolarHBondContact O-CE1 3.02Å; D45-H51 PolarHBondContact O-ND1 3.27Å
46F85.1Confident87.1Confident2 Ų266 Ų661%0.00929%0.294CS..G310 helixtrans-59.7-23.2178.5-71.4-12000114.1F5 F22 L29 W41 T43 K44 F308 V319F5-F46 HydrophobicContact CD2-CB 4.42Å; F5-F46 AromaticContact CD2-CD1 3.68Å; F5-F46 HydrophobicContact CD2-CD1 3.68Å; F5-F46 HydrophobicContact CD2-CE1 4.34Å; F5-F46 HydrophobicContact CD2-CG 4.33Å; F5-F46 HydrophobicContact CE1-CE1 4.48Å; F5-F46 AromaticContact CE2-CD1 3.74Å; F5-F46 HydrophobicContact CE2-CD1 3.74Å; F5-F46 HydrophobicContact CE2-CE1 4.12Å; F5-F46 HydrophobicContact CG-CD1 4.15Å; F5-F46 HydrophobicContact CZ-CD1 4.28Å; F5-F46 HydrophobicContact CZ-CE1 4.2Å; F22-F46 AromaticContact CE1-CE2 3.94Å; F22-F46 HydrophobicContact CE1-CE2 3.94Å; F22-F46 HydrophobicContact CE1-CZ 4.31Å; F22-F46 HydrophobicContact CZ-CE2 4.35Å; L29-F46 HydrophobicContact CB-CZ 3.82Å; L29-F46 HydrophobicContact CD2-CE1 4.4Å; L29-F46 HydrophobicContact CD2-CZ 3.7Å; L29-F46 HydrophobicContact CG-CZ 4.42Å; W41-F46 HydrophobicContact CB-CE1 3.94Å; T43-F46 HydrophobicContact CG2-CE2 3.84Å; T43-F46 HydrophobicContact CG2-CZ 4.05Å; K44-F46 PolarHBondContact O-N 2.84Å; F46-F308 HydrophobicContact CD2-CD2 4.11Å; F46-F308 HydrophobicContact CD2-CE2 4.15Å; F46-F308 HydrophobicContact CD2-CG 4.46Å; F46-V319 HydrophobicContact CD2-CG1 4.28Å; F46-V319 HydrophobicContact CE2-CG1 4.32Å; F46-V319 HydrophobicContact CE2-CG2 4.33Å; F46-V319 HydrophobicContact CZ-CG2 4.39Å
47L79.8Confident87Confident105 Ų10563.6 Ų63.655%0.5529%0.292SS..G310 helixtrans-98.3-3.3178.5-53.7-177.6000112.6I4 D45 F308I4-L47 HydrophobicContact CG2-CD2 3.5Å; D45-L47 PolarHBondContact O-N 3.01Å; D45-L47 VanDerWaalsContact O-N 3.14Å; L47-F308 HydrophobicContact CD2-CE1 4Å; L47-F308 HydrophobicContact CD2-CZ 4.05Å; L47-F308 HydrophobicContact CG-CZ 4.37Å
48E80.1Confident87Confident113 Ų11363.7 Ų63.753%0.52829%0.292SS..SBendtrans-87.9162.5179.2-60.2-171.7-179.500110.7D45 H51D45-E48 WeakPolarHBondContact O-CB 3.27Å; D45-E48 PolarHBondContact O-N 3.35Å; E48-H51 PolarHBondContact O-CE1 2.8Å
49R69.6Low86.6Confident206 Ų20671.3 Ų71.378%0.77733%0.328SS*.SBendtrans-76.4-30179.2-76.4-176168.8176.5-0.4113.9E369R49-E369 IonicContact NE-OE1 3.9Å
50E72.3Confident86.3Confident137 Ų13777.5 Ų77.564%0.6436%0.362SS*.SBendtrans-113.4128.5178.9-69.8-169.3173.100109.4
51H75.9Confident86.2Confident29 Ų2978 Ų7813%0.13436%0.364CS..  trans-111.2115.7-179-51.5-58.8000110F5 W41 D45 E48F5-H51 AromaticContact CD2-CD2 3.56Å; F5-H51 AromaticContact CD2-CE1 3.43Å; F5-H51 VanDerWaalsContact CD2-CE1 3.43Å; F5-H51 WeakPolarHBondContact CD2-CE1 3.45Å; F5-H51 AromaticContact CD2-CG 3.79Å; F5-H51 AromaticContact CD2-ND1 3.71Å; F5-H51 AromaticContact CD2-NE2 3.31Å; F5-H51 VanDerWaalsContact CD2-NE2 3.31Å; F5-H51 WeakPolarHBondContact CD2-NE2 3.25Å; F5-H51 HydrophobicContact CE2-CB 3.73Å; F5-H51 AromaticContact CE2-CD2 3.38Å; F5-H51 WeakPolarHBondContact CE2-CD2 3.31Å; F5-H51 AromaticContact CE2-CE1 3.76Å; F5-H51 AromaticContact CE2-CG 3.29Å; F5-H51 AromaticContact CE2-ND1 3.55Å; F5-H51 AromaticContact CE2-NE2 3.66Å; F5-H51 HydrophobicContact CZ-CB 4.4Å; W41-H51 HydrophobicContact CZ3-CB 4.4Å; D45-H51 PolarHBondContact O-CE1 3.02Å; D45-H51 PolarHBondContact O-ND1 3.27Å; E48-H51 PolarHBondContact O-CE1 2.8Å
52K78.3Confident86.3Confident168 Ų16879.9 Ų79.973%0.7337%0.373SS*.  trans-91.2134.1170.6-68.4-179.4-177.21730109.2
53C87.3Confident86.5Confident34 Ų3478.5 Ų78.523%0.2336%0.364CS..EExtended strand (participates in β ladder)trans-115.9145.4168.567.50000110.7R39 I40 W41R39-C53 HydrophobicContact CB-CB 4.21Å; R39-C53 PolarHBondContact NH1-SG 3.14Å; I40-C53 WeakPolarHBondContact O-CA 3.49Å; W41-C53 HydrophobicContact CD2-CB 3.8Å; W41-C53 HydrophobicContact CE3-CB 3.55Å; W41-C53 HydrophobicContact CH2-CB 3.79Å; W41-C53 HydrophobicContact CZ2-CB 4.04Å; W41-C53 HydrophobicContact CZ3-CB 3.56Å
54L91Very high86.8Confident53 Ų5382.1 Ų82.128%0.27738%0.382SS..EExtended strand (participates in β ladder)trans-84.9140.5166.5-55.1162.8000108.2R39 I40 F98 F100R39-L54 CarbonylContact C-O 3.45Å; R39-L54 VanDerWaalsContact CA-O 3.3Å; R39-L54 WeakPolarHBondContact CA-O 3.41Å; I40-L54 HydrophobicContact CB-CB 4.21Å; I40-L54 HydrophobicContact CB-CD1 4.46Å; I40-L54 PolarHBondContact N-O 3.16Å; I40-L54 PolarHBondContact O-N 3.37Å; L54-F98 HydrophobicContact CD1-CB 3.86Å; L54-F98 HydrophobicContact CD1-CD2 3.69Å; L54-F98 HydrophobicContact CD1-CG 4.06Å; L54-F98 HydrophobicContact CD2-CB 4.5Å; L54-F100 HydrophobicContact CB-CE2 3.74Å; L54-F100 HydrophobicContact CB-CZ 3.62Å; L54-F100 HydrophobicContact CD1-CZ 4.24Å
55R92.2Very high87.3Confident143 Ų14375.9 Ų75.954%0.5436%0.355SS..EExtended strand (participates in β ladder)trans-114123.1-176.3-178.3179.3173.7172.36.1110.7T37 N57 F100T37-R55 HydrophobicContact CG2-CG 4.27Å; T37-R55 VanDerWaalsContact CG2-CZ 3.49Å; R55-N57 PolarHBondContact NE-OD1 3.45Å; R55-N57 PolarHBondContact NH2-OD1 3.43Å; R55-F100 WeakPolarHBondContact O-CD2 3.32Å
56A93.5Very high87.9Confident2 Ų274 Ų742%0.01735%0.345CS..EExtended strand (participates in β ladder)trans-104.6134.9163.200000108.7T37 I38 F75 F100T37-A56 WeakPolarHBondContact CA-O 3.36Å; I38-A56 HydrophobicContact CB-CB 4.27Å; I38-A56 PolarHBondContact N-O 3.5Å; I38-A56 PolarHBondContact O-N 3.07Å; A56-F75 HydrophobicContact CB-CZ 3.91Å; A56-F100 HydrophobicContact CB-CB 3.74Å; A56-F100 HydrophobicContact CB-CD1 4.2Å; A56-F100 HydrophobicContact CB-CD2 3.61Å; A56-F100 HydrophobicContact CB-CE2 4.24Å; A56-F100 HydrophobicContact CB-CG 3.58Å
57N93.6Very high88.5Confident85 Ų8574.6 Ų74.646%0.45535%0.347SS..EExtended strand (participates in β ladder)trans-100140.7177-66.8-40.9000110.1R55R55-N57 PolarHBondContact NE-OD1 3.45Å; R55-N57 PolarHBondContact NH2-OD1 3.43Å
58V92.9Very high89.3Confident3 Ų369.7 Ų69.72%0.01832%0.321CS..  trans-97.6104.6166.8-174.20000106.7R36 I38 L60 D61 A63 L79 F88R36-V58 PolarHBondContact O-N 2.85Å; I38-V58 HydrophobicContact CD1-CG2 3.51Å; I38-V58 HydrophobicContact CG1-CG2 4.24Å; V58-L60 PolarHBondContact O-N 3.35Å; V58-D61 HydrophobicContact CG1-CB 3.9Å; V58-A63 HydrophobicContact CG2-CB 4.09Å; V58-L79 HydrophobicContact CG1-CD2 3.46Å; V58-L79 VanDerWaalsContact CG1-CD2 3.46Å; V58-F88 HydrophobicContact CG2-CZ 4.23Å
59E88.9Confident90.1Very high159 Ų15964.8 Ų64.874%0.74330%0.3SS*.THydrogen-bonded Turntrans-68130.7-176.7-66.2-176.1179.900111D61E59-D61 PolarHBondContact O-N 2.91Å
60L88.6Confident91.4Very high159 Ų15956.5 Ų56.583%0.83227%0.273SS*.THydrogen-bonded Turntrans597.4177.9-54.4176000116.1V58V58-L60 PolarHBondContact O-N 3.35Å
61D93.8Very high92.5Very high11 Ų1154.5 Ų54.56%0.05927%0.266CS..SBendtrans-146.1-177.5177.8-156.5-7.7000110.9R36 V58 E59 L79 N81 G82R36-D61 WeakPolarHBondContact CB-O 3.38Å; R36-D61 WeakPolarHBondContact CD-O 2.98Å; R36-D61 WeakPolarHBondContact CG-O 3.05Å; V58-D61 HydrophobicContact CG1-CB 3.9Å; E59-D61 PolarHBondContact O-N 2.91Å; D61-L79 WeakPolarHBondContact OD2-CB 3.45Å; D61-N81 PolarHBondContact OD1-N 3.3Å; D61-N81 VanDerWaalsContact OD1-N 3.11Å; D61-N81 PolarHBondContact OD1-ND2 3.43Å; D61-N81 PolarHBondContact OD2-N 2.83Å; D61-G82 PolarHBondContact OD2-N 2.69Å
62H93.9Very high93.4Very high44 Ų4453.5 Ų53.520%0.20426%0.263CS..  trans-131.9154.2169.760.3-64.6000110.7D34 R36 A80D34-H62 IonicContact OD1-CD2 3.95Å; R36-H62 HydrophobicContact CG-CB 4.14Å; H62-A80 WeakPolarHBondContact CE1-CB 3.48Å; H62-A80 VanDerWaalsContact NE2-CB 3.32Å; H62-A80 WeakPolarHBondContact NE2-CB 3.4Å; H62-A80 PolarHBondContact O-N 2.92Å
63A95.6Very high94.2Very high0 Ų054 Ų540%026%0.26CS..EExtended strand (participates in β ladder)trans-92.4126.5177.700000110C32 I38 V58 T77 W78C32-A63 HydrophobicContact CB-CB 3.78Å; C32-A63 PolarHBondContact SG-O 2.98Å; I38-A63 HydrophobicContact CD1-CB 3.93Å; I38-A63 HydrophobicContact CG1-CB 3.91Å; V58-A63 HydrophobicContact CG2-CB 4.09Å; A63-T77 HydrophobicContact CB-CG2 4.07Å; A63-W78 WeakPolarHBondContact CA-O 3.4Å
64M96.4Very high94.6Very high82 Ų8253.2 Ų53.240%0.40426%0.256SS..EExtended strand (participates in β ladder)trans-87.3-30.4174-63.3-172.771.200112.2T18 C19 C32 W78 A80T18-M64 VanDerWaalsContact CB-O 3.28Å; T18-M64 WeakPolarHBondContact CB-O 3.36Å; T18-M64 PolarHBondContact OG1-O 3.22Å; C19-M64 WeakPolarHBondContact CB-O 3.39Å; C32-M64 VanDerWaalsContact SG-C 3.57Å; M64-W78 PolarHBondContact N-O 3.25Å; M64-A80 HydrophobicContact CG-CB 3.67Å; M64-A80 HydrophobicContact SD-CB 3.9Å
65L98Very high94.9Very high20 Ų2050.7 Ų50.711%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-136149.3-176.9-60.1167.7000109.8C19 T77 W78 I115 I118C19-L65 HydrophobicContact CB-CD2 4.07Å; L65-T77 CarbonylContact O-C 3.55Å; L65-T77 WeakPolarHBondContact O-CA 3.44Å; L65-T77 WeakPolarHBondContact O-CB 3.2Å; L65-W78 HydrophobicContact CB-CB 3.96Å; L65-W78 HydrophobicContact CD1-CB 4.05Å; L65-W78 HydrophobicContact CG-CB 4.3Å; L65-W78 PolarHBondContact O-N 2.87Å; L65-W78 VanDerWaalsContact O-N 3.08Å; L65-I115 HydrophobicContact CD1-CG2 3.54Å; L65-I118 HydrophobicContact CB-CD1 3.82Å; L65-I118 HydrophobicContact CB-CG1 3.82Å; L65-I118 HydrophobicContact CD1-CG1 4.2Å; L65-I118 HydrophobicContact CD1-CG2 4.09Å
66V98.3Very high95.2Very high0 Ų044.1 Ų44.10%022%0.218CC..EExtended strand (participates in β ladder)trans-140.1137.9176.163.10000110.9A30 C32 I38 F75 I76 T77A30-V66 HydrophobicContact CB-CG1 4.07Å; A30-V66 HydrophobicContact CB-CG2 3.84Å; C32-V66 HydrophobicContact CB-CB 4.31Å; C32-V66 HydrophobicContact CB-CG1 4.27Å; I38-V66 HydrophobicContact CG2-CG2 4.12Å; V66-F75 HydrophobicContact CG2-CB 4.29Å; V66-F75 HydrophobicContact CG2-CD2 4.03Å; V66-F75 HydrophobicContact CG2-CG 4.36Å; V66-I76 CarbonylContact C-O 3.58Å; V66-I76 WeakPolarHBondContact CA-O 3.23Å; V66-T77 HydrophobicContact CB-CG2 4.3Å; V66-T77 HydrophobicContact CG2-CG2 4.09Å
67R98.1Very high95.4Very high13 Ų1344 Ų445%0.04922%0.218CC..EExtended strand (participates in β ladder)trans-140.1133172.6-60.5-71.7169.2-114.6-2.7111.5C19 L20 D21 F75 I76 N117 I118 I120 R301C19-R67 VanDerWaalsContact SG-CZ 3.56Å; C19-R67 PolarHBondContact SG-NH1 2.94Å; C19-R67 PolarHBondContact SG-NH2 2.97Å; L20-R67 PolarHBondContact O-NH1 3.47Å; D21-R67 IonicContact OD1-NH1 3.83Å; D21-R67 VanDerWaalsContact OD2-CA 3.24Å; D21-R67 WeakPolarHBondContact OD2-CA 3.45Å; R67-F75 CarbonylContact O-C 3.59Å; R67-F75 WeakPolarHBondContact O-CA 3.42Å; R67-F75 WeakPolarHBondContact O-CB 3.46Å; R67-I76 HydrophobicContact CB-CD1 4.3Å; R67-I76 HydrophobicContact CB-CG1 3.81Å; R67-I76 PolarHBondContact N-O 3.44Å; R67-I76 PolarHBondContact O-N 3.46Å; R67-N117 PolarHBondContact NH2-OD1 2.82Å; R67-I118 HydrophobicContact CG-CD1 4.49Å; R67-I118 HydrophobicContact CG-CG1 3.91Å; R67-I118 WeakPolarHBondContact CG-O 3.32Å; R67-I118 PolarHBondContact NE-O 3.44Å; R67-I118 VanDerWaalsContact NE-O 3.1Å; R67-I120 HydrophobicContact CB-CG2 4.42Å; R67-R301 VanDerWaalsContact CZ-CZ 3.49Å
68F97.8Very high95.6Very high2 Ų240.4 Ų40.41%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-71.6147.2174.7-85.8-71000112D21 S23 A30 I40 F75 M90 I120D21-F68 HydrophobicContact CB-CD2 4.43Å; D21-F68 WeakPolarHBondContact O-CD2 3.47Å; D21-F68 WeakPolarHBondContact O-CE2 2.95Å; D21-F68 PolarHBondContact OD2-N 3.3Å; S23-F68 VanDerWaalsContact CA-CD2 3.45Å; S23-F68 VanDerWaalsContact N-CD2 3.29Å; A30-F68 HydrophobicContact CB-CD2 3.99Å; A30-F68 HydrophobicContact CB-CE2 3.37Å; A30-F68 HydrophobicContact CB-CZ 3.71Å; I40-F68 HydrophobicContact CD1-CE1 4.22Å; I40-F68 HydrophobicContact CD1-CZ 3.86Å; I40-F68 HydrophobicContact CG2-CZ 4.06Å; F68-F75 HydrophobicContact CD1-CB 4.25Å; F68-M90 HydrophobicContact CD1-SD 4.32Å; F68-M90 HydrophobicContact CE1-CE 4.39Å; F68-M90 HydrophobicContact CE1-SD 3.74Å; F68-I120 WeakPolarHBondContact O-CG2 3.47Å
69S97Very high95.8Very high11 Ų1140.4 Ų40.48%0.07720%0.197CC..  trans-69.6154.1165.663.10000111.3D71 S72 R73 A74S69-D71 WeakPolarHBondContact CB-OD1 3.46Å; S69-D71 PolarHBondContact O-N 3.09Å; S69-D71 PolarHBondContact OG-OD1 3.29Å; S69-S72 WeakPolarHBondContact O-CA 3.46Å; S69-S72 PolarHBondContact O-N 2.87Å; S69-R73 PolarHBondContact OG-N 2.86Å; S69-A74 WeakPolarHBondContact CB-O 3.41Å; S69-A74 PolarHBondContact N-O 3.25Å; S69-A74 WeakPolarHBondContact OG-CA 3.41Å; S69-A74 PolarHBondContact OG-N 3.35Å; S69-A74 PolarHBondContact OG-O 3.46Å
70P95.7Very high96Very high32 Ų3233.7 Ų33.721%0.20817%0.17CC..THydrogen-bonded Turntrans-58.9-34.4-179.3-26.136.3000113.4S72 A121 E122P70-S72 PolarHBondContact O-N 2.99Å; P70-A121 WeakPolarHBondContact CG-O 3.38Å; P70-E122 WeakPolarHBondContact CB-O 3.35Å; P70-E122 WeakPolarHBondContact CB-OE2 3.44Å
71D95.1Very high96.2Very high94 Ų9431.7 Ų31.750%0.50316%0.159SC..THydrogen-bonded Turntrans-78.3-4.9176.272.7-9.7000113.6S69 R73S69-D71 WeakPolarHBondContact CB-OD1 3.46Å; S69-D71 PolarHBondContact O-N 3.09Å; S69-D71 PolarHBondContact OG-OD1 3.29Å; D71-R73 PolarHBondContact O-N 3.46Å; D71-R73 PolarHBondContact OD1-N 3.28Å
72S95.3Very high96.2Very high9 Ų932 Ų326%0.06317%0.166CC..SBendtrans56.128.1-176.6-47.60000114.1N25 S69 P70N25-S72 PolarHBondContact N-OG 3.31Å; N25-S72 WeakPolarHBondContact ND2-CB 3.15Å; N25-S72 PolarHBondContact ND2-OG 3.45Å; S69-S72 WeakPolarHBondContact O-CA 3.46Å; S69-S72 PolarHBondContact O-N 2.87Å; P70-S72 PolarHBondContact O-N 2.99Å
73R94.6Very high96.2Very high178 Ų17833.5 Ų33.567%0.67218%0.175SC*.SBendtrans-109.4-3.3177.4-62.4179.2178.7-169.5-0.8113.3S69 D71 M90S69-R73 PolarHBondContact OG-N 2.86Å; D71-R73 PolarHBondContact O-N 3.46Å; D71-R73 PolarHBondContact OD1-N 3.28Å; R73-M90 WeakPolarHBondContact O-CA 2.98Å; R73-M90 VanDerWaalsContact O-CB 3.31Å; R73-M90 WeakPolarHBondContact O-CB 3.38Å; R73-M90 PolarHBondContact O-N 2.98Å
74A96.6Very high96.2Very high18 Ų1833.7 Ų33.715%0.14918%0.177CC..EExtended strand (participates in β ladder)trans-146.4170.7175.400000109.7S69 F88S69-A74 WeakPolarHBondContact CB-O 3.41Å; S69-A74 PolarHBondContact N-O 3.25Å; S69-A74 WeakPolarHBondContact OG-CA 3.41Å; S69-A74 PolarHBondContact OG-N 3.35Å; S69-A74 PolarHBondContact OG-O 3.46Å; A74-F88 CarbonylContact C-O 3.58Å; A74-F88 WeakPolarHBondContact CA-O 3.14Å; A74-F88 VanDerWaalsContact CB-O 3.26Å; A74-F88 WeakPolarHBondContact CB-O 3.26Å
75F97.6Very high96.3Very high0 Ų029.8 Ų29.80%016%0.158CC..EExtended strand (participates in β ladder)trans-145.3154.8165.254.1-95.5000109.4I38 I40 A56 V66 R67 F68 T77 F88 M90 F100I38-F75 HydrophobicContact CB-CE2 4.47Å; I38-F75 HydrophobicContact CD1-CE2 3.85Å; I38-F75 HydrophobicContact CG2-CE2 3.98Å; I38-F75 HydrophobicContact CG2-CZ 4.16Å; I40-F75 HydrophobicContact CD1-CD1 4.26Å; I40-F75 HydrophobicContact CD1-CE1 4.1Å; I40-F75 HydrophobicContact CG1-CE1 4.48Å; A56-F75 HydrophobicContact CB-CZ 3.91Å; V66-F75 HydrophobicContact CG2-CB 4.29Å; V66-F75 HydrophobicContact CG2-CD2 4.03Å; V66-F75 HydrophobicContact CG2-CG 4.36Å; R67-F75 CarbonylContact O-C 3.59Å; R67-F75 WeakPolarHBondContact O-CA 3.42Å; R67-F75 WeakPolarHBondContact O-CB 3.46Å; F68-F75 HydrophobicContact CD1-CB 4.25Å; F75-T77 HydrophobicContact CD2-CG2 3.83Å; F75-T77 HydrophobicContact CE2-CG2 4.01Å; F75-F88 HydrophobicContact CD1-CB 4.37Å; F75-F88 HydrophobicContact CD2-CB 3.81Å; F75-F88 HydrophobicContact CD2-CD2 4.14Å; F75-F88 HydrophobicContact CD2-CG 4.27Å; F75-F88 HydrophobicContact CE1-CB 3.93Å; F75-F88 HydrophobicContact CE2-CB 3.28Å; F75-F88 HydrophobicContact CE2-CD1 4.32Å; F75-F88 AromaticContact CE2-CD2 3.53Å; F75-F88 HydrophobicContact CE2-CD2 3.53Å; F75-F88 HydrophobicContact CE2-CE2 4.42Å; F75-F88 AromaticContact CE2-CG 3.46Å; F75-F88 HydrophobicContact CE2-CG 3.46Å; F75-F88 VanDerWaalsContact CE2-CG 3.46Å; F75-F88 HydrophobicContact CG-CB 4.32Å; F75-F88 HydrophobicContact CZ-CB 3.36Å; F75-F88 HydrophobicContact CZ-CD1 4.31Å; F75-F88 HydrophobicContact CZ-CD2 4.29Å; F75-F88 AromaticContact CZ-CG 3.76Å; F75-F88 HydrophobicContact CZ-CG 3.76Å; F75-F88 PolarHBondContact N-O 3.36Å; F75-F88 PolarHBondContact O-N 3.09Å; F75-M90 HydrophobicContact CD1-CG 4.01Å; F75-M90 HydrophobicContact CD1-SD 4.04Å; F75-M90 HydrophobicContact CE1-CG 4Å; F75-M90 HydrophobicContact CE1-SD 4.4Å; F75-F100 AromaticContact CE1-CD1 3.62Å; F75-F100 HydrophobicContact CE1-CD1 3.62Å; F75-F100 AromaticContact CE1-CE1 3.84Å; F75-F100 HydrophobicContact CE1-CE1 3.84Å; F75-F100 HydrophobicContact CZ-CD1 4.03Å; F75-F100 HydrophobicContact CZ-CE1 4.5Å
76I98.1Very high96.2Very high4 Ų431.3 Ų31.32%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-105.6146.4173.464.2168.8000109.5V66 R67 I85 R86 I87 I118 I120 I127V66-I76 CarbonylContact C-O 3.58Å; V66-I76 WeakPolarHBondContact CA-O 3.23Å; R67-I76 HydrophobicContact CB-CD1 4.3Å; R67-I76 HydrophobicContact CB-CG1 3.81Å; R67-I76 PolarHBondContact N-O 3.44Å; R67-I76 PolarHBondContact O-N 3.46Å; I76-I85 HydrophobicContact CB-CG2 3.85Å; I76-I85 HydrophobicContact CD1-CG2 4.47Å; I76-I85 HydrophobicContact CG2-CG2 4.28Å; I76-R86 CarbonylContact C-O 3.58Å; I76-R86 WeakPolarHBondContact CA-O 3.47Å; I76-I87 HydrophobicContact CG2-CG1 4.1Å; I76-I118 HydrophobicContact CD1-CB 4.41Å; I76-I118 HydrophobicContact CD1-CD1 4.03Å; I76-I118 HydrophobicContact CD1-CG1 4.33Å; I76-I118 HydrophobicContact CG1-CD1 3.96Å; I76-I120 HydrophobicContact CD1-CB 4.31Å; I76-I127 HydrophobicContact CD1-CG1 4.4Å; I76-I127 HydrophobicContact CD1-CG2 3.82Å; I76-I127 HydrophobicContact CG2-CD1 4.18Å
77T98Very high96.2Very high0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-132.7143.8175.7620000111.8I38 A63 L65 V66 F75 I85 R86 F88I38-T77 HydrophobicContact CD1-CG2 3.3Å; I38-T77 HydrophobicContact CG1-CG2 4.13Å; A63-T77 HydrophobicContact CB-CG2 4.07Å; L65-T77 CarbonylContact O-C 3.55Å; L65-T77 WeakPolarHBondContact O-CA 3.44Å; L65-T77 WeakPolarHBondContact O-CB 3.2Å; V66-T77 HydrophobicContact CB-CG2 4.3Å; V66-T77 HydrophobicContact CG2-CG2 4.09Å; F75-T77 HydrophobicContact CD2-CG2 3.83Å; F75-T77 HydrophobicContact CE2-CG2 4.01Å; T77-I85 WeakPolarHBondContact O-CA 3.43Å; T77-R86 PolarHBondContact N-O 3.23Å; T77-R86 PolarHBondContact O-N 2.9Å; T77-F88 HydrophobicContact CG2-CD2 4.32Å; T77-F88 HydrophobicContact CG2-CE2 4.37Å
78W97.9Very high96.1Very high9 Ų932.6 Ų32.63%0.03417%0.169CC..EExtended strand (participates in β ladder)trans-87.9121.3167-173.7-95000109.9A63 M64 L65 D83 I85 I115 I118A63-W78 WeakPolarHBondContact CA-O 3.4Å; M64-W78 PolarHBondContact N-O 3.25Å; L65-W78 HydrophobicContact CB-CB 3.96Å; L65-W78 HydrophobicContact CD1-CB 4.05Å; L65-W78 HydrophobicContact CG-CB 4.3Å; L65-W78 PolarHBondContact O-N 2.87Å; L65-W78 VanDerWaalsContact O-N 3.08Å; W78-D83 WeakPolarHBondContact CH2-O 3.12Å; W78-D83 VanDerWaalsContact CZ2-CA 3.44Å; W78-D83 HydrophobicContact CZ2-CB 4.06Å; W78-D83 VanDerWaalsContact CZ2-O 3.32Å; W78-D83 WeakPolarHBondContact CZ2-O 3.36Å; W78-I85 HydrophobicContact CE3-CG1 3.7Å; W78-I85 HydrophobicContact CZ3-CG1 3.91Å; W78-I115 HydrophobicContact CD2-CB 4.05Å; W78-I115 HydrophobicContact CD2-CG1 3.62Å; W78-I115 HydrophobicContact CD2-CG2 4.19Å; W78-I115 HydrophobicContact CE3-CG1 3.87Å; W78-I115 HydrophobicContact CE3-CG2 4.5Å; W78-I115 HydrophobicContact CG-CB 4.34Å; W78-I115 HydrophobicContact CG-CG1 4.4Å; W78-I115 HydrophobicContact CG-CG2 4.32Å; W78-I115 HydrophobicContact CH2-CD1 3.89Å; W78-I115 HydrophobicContact CH2-CG1 3.42Å; W78-I115 VanDerWaalsContact CH2-CG1 3.42Å; W78-I115 HydrophobicContact CZ2-CB 4.21Å; W78-I115 HydrophobicContact CZ2-CD1 4.05Å; W78-I115 HydrophobicContact CZ2-CG1 3.13Å; W78-I115 HydrophobicContact CZ3-CD1 4.2Å; W78-I115 HydrophobicContact CZ3-CG1 3.78Å; W78-I118 HydrophobicContact CB-CD1 4.21Å; W78-I118 HydrophobicContact CB-CG2 4.23Å; W78-I118 HydrophobicContact CE3-CG2 4.06Å
79L96.5Very high96.1Very high3 Ų338.7 Ų38.72%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-80.9129.3177.7-64.8-175.9000110.6V58 D61 D83 A84 R86V58-L79 HydrophobicContact CG1-CD2 3.46Å; V58-L79 VanDerWaalsContact CG1-CD2 3.46Å; D61-L79 WeakPolarHBondContact OD2-CB 3.45Å; L79-D83 PolarHBondContact O-N 3.3Å; L79-D83 VanDerWaalsContact O-N 3.12Å; L79-A84 PolarHBondContact N-O 2.87Å; L79-R86 HydrophobicContact CD1-CB 4Å; L79-R86 HydrophobicContact CD2-CB 4.22Å; L79-R86 HydrophobicContact CG-CB 4.04Å
80A93.9Very high96Very high19 Ų1938.9 Ų38.916%0.15720%0.195CC..THydrogen-bonded Turntrans-69.3-42-174.500000113.7H62 M64H62-A80 WeakPolarHBondContact CE1-CB 3.48Å; H62-A80 VanDerWaalsContact NE2-CB 3.32Å; H62-A80 WeakPolarHBondContact NE2-CB 3.4Å; H62-A80 PolarHBondContact O-N 2.92Å; M64-A80 HydrophobicContact CG-CB 3.67Å; M64-A80 HydrophobicContact SD-CB 3.9Å
81N92.7Very high95.9Very high116 Ų11641 Ų4162%0.6220%0.204SC*.THydrogen-bonded Turntrans-95.1-30.7177.8-59.6-62.8000111.4D61 D83D61-N81 PolarHBondContact OD1-N 3.3Å; D61-N81 VanDerWaalsContact OD1-N 3.11Å; D61-N81 PolarHBondContact OD1-ND2 3.43Å; D61-N81 PolarHBondContact OD2-N 2.83Å; N81-D83 VanDerWaalsContact C-N 3.26Å; N81-D83 PolarHBondContact O-N 2.93Å
82G92.3Very high95.7Very high19 Ų1943.3 Ų43.320%0.19621%0.21CC..THydrogen-bonded Turntrans-73.5-12178.500000114.5D61 A84 Q109D61-G82 PolarHBondContact OD2-N 2.69Å; G82-A84 VanDerWaalsContact O-CB 3.25Å; G82-A84 WeakPolarHBondContact O-CB 3.49Å; G82-A84 PolarHBondContact O-N 3.39Å; G82-Q109 PolarHBondContact O-NE2 3.07Å
83D94.6Very high95.4Very high75 Ų7547.7 Ų47.740%0.40123%0.228SC..  trans41.940.6-179-76.4-34000113.7W78 L79 N81W78-D83 WeakPolarHBondContact CH2-O 3.12Å; W78-D83 VanDerWaalsContact CZ2-CA 3.44Å; W78-D83 HydrophobicContact CZ2-CB 4.06Å; W78-D83 VanDerWaalsContact CZ2-O 3.32Å; W78-D83 WeakPolarHBondContact CZ2-O 3.36Å; L79-D83 PolarHBondContact O-N 3.3Å; L79-D83 VanDerWaalsContact O-N 3.12Å; N81-D83 VanDerWaalsContact C-N 3.26Å; N81-D83 PolarHBondContact O-N 2.93Å
84A95.9Very high95.2Very high3 Ų347.8 Ų47.83%0.02524%0.242CC..SBendtrans-148.7158.9-171.100000111.5L79 G82 D106 F107 Q109L79-A84 PolarHBondContact N-O 2.87Å; G82-A84 VanDerWaalsContact O-CB 3.25Å; G82-A84 WeakPolarHBondContact O-CB 3.49Å; G82-A84 PolarHBondContact O-N 3.39Å; A84-D106 HydrophobicContact CB-CB 3.96Å; A84-F107 WeakPolarHBondContact CB-O 3.34Å; A84-Q109 HydrophobicContact CB-CG 4.36Å
85I97.9Very high94.7Very high1 Ų152.3 Ų52.31%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-84.5128.3170.5-60177.5000108.8I76 T77 W78 F107 I118 I127I76-I85 HydrophobicContact CB-CG2 3.85Å; I76-I85 HydrophobicContact CD1-CG2 4.47Å; I76-I85 HydrophobicContact CG2-CG2 4.28Å; T77-I85 WeakPolarHBondContact O-CA 3.43Å; W78-I85 HydrophobicContact CE3-CG1 3.7Å; W78-I85 HydrophobicContact CZ3-CG1 3.91Å; I85-F107 HydrophobicContact CB-CB 4.05Å; I85-F107 HydrophobicContact CB-CD1 4.35Å; I85-F107 HydrophobicContact CB-CD2 3.99Å; I85-F107 HydrophobicContact CB-CG 3.87Å; I85-F107 HydrophobicContact CD1-CD2 4.05Å; I85-F107 HydrophobicContact CD1-CE2 4.4Å; I85-F107 HydrophobicContact CG1-CD2 4.47Å; I85-F107 HydrophobicContact CG2-CD2 4.46Å; I85-F107 HydrophobicContact CG2-CG 4.45Å; I85-F107 PolarHBondContact O-N 3.32Å; I85-I118 HydrophobicContact CD1-CG2 4.34Å; I85-I118 HydrophobicContact CG1-CG2 4.4Å; I85-I127 HydrophobicContact CD1-CG2 3.56Å
86R97.1Very high93.8Very high52 Ų5254 Ų5420%0.19628%0.281CS..EExtended strand (participates in β ladder)trans-110.6137.9168.3-177.5167-73.8171.74.3110.4I76 T77 L79 F88 D106I76-R86 CarbonylContact C-O 3.58Å; I76-R86 WeakPolarHBondContact CA-O 3.47Å; T77-R86 PolarHBondContact N-O 3.23Å; T77-R86 PolarHBondContact O-N 2.9Å; L79-R86 HydrophobicContact CD1-CB 4Å; L79-R86 HydrophobicContact CD2-CB 4.22Å; L79-R86 HydrophobicContact CG-CB 4.04Å; R86-F88 HydrophobicContact CB-CE2 4.27Å; R86-F88 HydrophobicContact CG-CD2 4.19Å; R86-F88 HydrophobicContact CG-CE2 3.71Å; R86-F88 HydrophobicContact CG-CZ 4.27Å; R86-D106 VanDerWaalsContact CB-OD1 3.3Å; R86-D106 WeakPolarHBondContact CB-OD1 3.05Å; R86-D106 WeakPolarHBondContact CG-OD1 3.36Å; R86-D106 IonicContact CZ-OD1 3.74Å; R86-D106 IonicContact CZ-OD2 3.54Å; R86-D106 IonicContact NE-OD1 3.6Å; R86-D106 PolarHBondContact NE-OD1 2.98Å; R86-D106 IonicContact NE-OD2 2.98Å; R86-D106 IonicContact NH2-OD1 3.88Å; R86-D106 PolarHBondContact NH2-OD1 2.75Å; R86-D106 IonicContact NH2-OD2 3.46Å; R86-D106 PolarHBondContact NH2-OD2 3.4Å
87I97.2Very high93.2Very high34 Ų3456.8 Ų56.817%0.17430%0.298CS..EExtended strand (participates in β ladder)trans-98.5134.9175.5-54.7-176.8000109.5I76 A102 A103 F107I76-I87 HydrophobicContact CG2-CG1 4.1Å; I87-A102 CarbonylContact O-C 3.45Å; I87-A102 WeakPolarHBondContact O-CA 3.41Å; I87-A103 HydrophobicContact CB-CB 4.11Å; I87-A103 PolarHBondContact O-N 2.85Å; I87-F107 HydrophobicContact CD1-CE1 3.73Å; I87-F107 HydrophobicContact CD1-CZ 4.12Å; I87-F107 HydrophobicContact CG1-CE1 4.09Å
88F97.2Very high92.8Very high6 Ų659 Ų593%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-116.7126.9169.2-72.6-98.5000110.3I38 V58 A74 F75 T77 R86 F100 K101 A102I38-F88 HydrophobicContact CD1-CE2 4.24Å; V58-F88 HydrophobicContact CG2-CZ 4.23Å; A74-F88 CarbonylContact C-O 3.58Å; A74-F88 WeakPolarHBondContact CA-O 3.14Å; A74-F88 VanDerWaalsContact CB-O 3.26Å; A74-F88 WeakPolarHBondContact CB-O 3.26Å; F75-F88 HydrophobicContact CD1-CB 4.37Å; F75-F88 HydrophobicContact CD2-CB 3.81Å; F75-F88 HydrophobicContact CD2-CD2 4.14Å; F75-F88 HydrophobicContact CD2-CG 4.27Å; F75-F88 HydrophobicContact CE1-CB 3.93Å; F75-F88 HydrophobicContact CE2-CB 3.28Å; F75-F88 HydrophobicContact CE2-CD1 4.32Å; F75-F88 AromaticContact CE2-CD2 3.53Å; F75-F88 HydrophobicContact CE2-CD2 3.53Å; F75-F88 HydrophobicContact CE2-CE2 4.42Å; F75-F88 AromaticContact CE2-CG 3.46Å; F75-F88 HydrophobicContact CE2-CG 3.46Å; F75-F88 VanDerWaalsContact CE2-CG 3.46Å; F75-F88 HydrophobicContact CG-CB 4.32Å; F75-F88 HydrophobicContact CZ-CB 3.36Å; F75-F88 HydrophobicContact CZ-CD1 4.31Å; F75-F88 HydrophobicContact CZ-CD2 4.29Å; F75-F88 AromaticContact CZ-CG 3.76Å; F75-F88 HydrophobicContact CZ-CG 3.76Å; F75-F88 PolarHBondContact N-O 3.36Å; F75-F88 PolarHBondContact O-N 3.09Å; T77-F88 HydrophobicContact CG2-CD2 4.32Å; T77-F88 HydrophobicContact CG2-CE2 4.37Å; R86-F88 HydrophobicContact CB-CE2 4.27Å; R86-F88 HydrophobicContact CG-CD2 4.19Å; R86-F88 HydrophobicContact CG-CE2 3.71Å; R86-F88 HydrophobicContact CG-CZ 4.27Å; F88-F100 HydrophobicContact CD1-CB 4.49Å; F88-K101 WeakPolarHBondContact CA-O 3.4Å; F88-A102 HydrophobicContact CD1-CB 4.07Å; F88-A102 HydrophobicContact CE1-CB 3.79Å; F88-A102 HydrophobicContact CZ-CB 4.21Å
89K96.3Very high92.6Very high130 Ų13060.2 Ų60.257%0.56532%0.318SS*.EExtended strand (participates in β ladder)trans-88.8133.7171.6-65.7-177.5-179.3179.20109.9F100 K101K89-F100 WeakPolarHBondContact O-CA 3.25Å; K89-K101 PolarHBondContact N-O 3.22Å; K89-K101 PolarHBondContact O-N 2.82Å
90M95Very high92.5Very high15 Ų1562 Ų627%0.07433%0.326CS..EExtended strand (participates in β ladder)trans-92.5114.2173.1-56.5175.859.100109I40 F68 R73 F75 F98 F100I40-M90 HydrophobicContact CG2-CE 4.38Å; F68-M90 HydrophobicContact CD1-SD 4.32Å; F68-M90 HydrophobicContact CE1-CE 4.39Å; F68-M90 HydrophobicContact CE1-SD 3.74Å; R73-M90 WeakPolarHBondContact O-CA 2.98Å; R73-M90 VanDerWaalsContact O-CB 3.31Å; R73-M90 WeakPolarHBondContact O-CB 3.38Å; R73-M90 PolarHBondContact O-N 2.98Å; F75-M90 HydrophobicContact CD1-CG 4.01Å; F75-M90 HydrophobicContact CD1-SD 4.04Å; F75-M90 HydrophobicContact CE1-CG 4Å; F75-M90 HydrophobicContact CE1-SD 4.4Å; M90-F98 HydrophobicContact CB-CD1 4.31Å; M90-F98 HydrophobicContact CE-CD1 4.36Å; M90-F98 HydrophobicContact CE-CE1 4.49Å; M90-F100 HydrophobicContact CB-CD1 4.47Å; M90-F100 HydrophobicContact CB-CE1 4.44Å; M90-F100 HydrophobicContact CE-CE1 4.15Å; M90-F100 HydrophobicContact CG-CD1 3.89Å; M90-F100 HydrophobicContact CG-CE1 3.8Å; M90-F100 HydrophobicContact SD-CE1 4.48Å
91I94.1Very high92.5Very high76 Ų7667.6 Ų67.639%0.3935%0.346SS..EExtended strand (participates in β ladder)trans-108.8111.2-177.2-57171.2000107.9F98 S99 K101I91-F98 CarbonylContact O-C 3.53Å; I91-F98 WeakPolarHBondContact O-CA 3.43Å; I91-S99 PolarHBondContact N-O 3.29Å; I91-S99 PolarHBondContact O-N 2.9Å; I91-S99 PolarHBondContact O-OG 3.04Å; I91-K101 HydrophobicContact CD1-CB 3.91Å; I91-K101 HydrophobicContact CD1-CD 4.39Å
92K90.7Very high92.6Very high142 Ų14263.9 Ų63.962%0.61733%0.332SS*.EExtended strand (participates in β ladder)trans-73.7125.6171.4-168.6179.2178.5-1750109T97 F98K92-T97 CarbonylContact C-O 3.44Å; K92-T97 WeakPolarHBondContact CA-O 3.29Å; K92-F98 HydrophobicContact CB-CD1 4.09Å; K92-F98 HydrophobicContact CB-CE1 3.77Å; K92-F98 HydrophobicContact CB-CZ 4.31Å; K92-F98 HydrophobicContact CD-CZ 4.35Å; K92-F98 HydrophobicContact CG-CE1 4.18Å; K92-F98 HydrophobicContact CG-CZ 4.23Å
93K89.9Confident92.6Very high102 Ų10264.7 Ų64.744%0.44334%0.337SS..  trans-86165.9175.6-66.4-174.5-175.8174.60110.9D95 G96 T97K93-D95 VanDerWaalsContact CB-OD1 3.24Å; K93-D95 WeakPolarHBondContact CB-OD1 3.26Å; K93-D95 PolarHBondContact O-N 2.95Å; K93-G96 PolarHBondContact O-N 3.46Å; K93-T97 PolarHBondContact N-O 2.83Å
94D89.5Confident92.3Very high180 Ų18067.1 Ų67.196%0.96336%0.359SS*.THydrogen-bonded Turntrans-63-29.8-179.7-59.5-32.1000112.8G96D94-G96 PolarHBondContact O-N 3.37Å
95D85.6Confident92.1Very high112 Ų11274.4 Ų74.460%0.59939%0.393SS*.THydrogen-bonded Turntrans-73.3-0.7173.865.98.4000113.6K93 T97K93-D95 VanDerWaalsContact CB-OD1 3.24Å; K93-D95 WeakPolarHBondContact CB-OD1 3.26Å; K93-D95 PolarHBondContact O-N 2.95Å; D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 VanDerWaalsContact CG-OG1 3.3Å; D95-T97 PolarHBondContact O-N 3.14Å; D95-T97 VanDerWaalsContact OD1-CB 3.28Å; D95-T97 WeakPolarHBondContact OD1-CB 3.3Å; D95-T97 WeakPolarHBondContact OD1-CG2 3.3Å; D95-T97 PolarHBondContact OD1-N 2.94Å; D95-T97 PolarHBondContact OD1-OG1 2.89Å; D95-T97 PolarHBondContact OD2-OG1 3.26Å
96G80.2Confident92Very high37 Ų3776.9 Ų76.938%0.38141%0.406SS..SBendtrans84.5-5.5-178.800000115K93 D94K93-G96 PolarHBondContact O-N 3.46Å; D94-G96 PolarHBondContact O-N 3.37Å
97T85Confident92Very high61 Ų6175 Ų7537%0.37440%0.4SS..  trans-78.5170.4175.470.90000111.7K92 K93 D95K92-T97 CarbonylContact C-O 3.44Å; K92-T97 WeakPolarHBondContact CA-O 3.29Å; K93-T97 PolarHBondContact N-O 2.83Å; D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 VanDerWaalsContact CG-OG1 3.3Å; D95-T97 PolarHBondContact O-N 3.14Å; D95-T97 VanDerWaalsContact OD1-CB 3.28Å; D95-T97 WeakPolarHBondContact OD1-CB 3.3Å; D95-T97 WeakPolarHBondContact OD1-CG2 3.3Å; D95-T97 PolarHBondContact OD1-N 2.94Å; D95-T97 PolarHBondContact OD1-OG1 2.89Å; D95-T97 PolarHBondContact OD2-OG1 3.26Å
98F90.1Very high91.8Very high46 Ų4678.8 Ų78.820%0.20242%0.419CS..EExtended strand (participates in β ladder)trans-113.9146.6176.4-70.8-91.3000111.3Y28 L54 M90 I91 K92 F100Y28-F98 WeakPolarHBondContact OH-CZ 3.43Å; L54-F98 HydrophobicContact CD1-CB 3.86Å; L54-F98 HydrophobicContact CD1-CD2 3.69Å; L54-F98 HydrophobicContact CD1-CG 4.06Å; L54-F98 HydrophobicContact CD2-CB 4.5Å; M90-F98 HydrophobicContact CB-CD1 4.31Å; M90-F98 HydrophobicContact CE-CD1 4.36Å; M90-F98 HydrophobicContact CE-CE1 4.49Å; I91-F98 CarbonylContact O-C 3.53Å; I91-F98 WeakPolarHBondContact O-CA 3.43Å; K92-F98 HydrophobicContact CB-CD1 4.09Å; K92-F98 HydrophobicContact CB-CE1 3.77Å; K92-F98 HydrophobicContact CB-CZ 4.31Å; K92-F98 HydrophobicContact CD-CZ 4.35Å; K92-F98 HydrophobicContact CG-CE1 4.18Å; K92-F98 HydrophobicContact CG-CZ 4.23Å; F98-F100 HydrophobicContact CB-CZ 4.45Å
99S92.3Very high91.7Very high36 Ų3684.7 Ų84.725%0.25245%0.447SS..EExtended strand (participates in β ladder)trans-121.3156.2162.650.90000110I91I91-S99 PolarHBondContact N-O 3.29Å; I91-S99 PolarHBondContact O-N 2.9Å; I91-S99 PolarHBondContact O-OG 3.04Å
100F95.2Very high91.6Very high40 Ų4083.7 Ų83.718%0.17544%0.443CS..EExtended strand (participates in β ladder)trans-117.6128.5-177.9-53.7-79.8000109.1I40 L54 R55 A56 F75 F88 K89 M90 F98I40-F100 HydrophobicContact CB-CZ 4.35Å; I40-F100 HydrophobicContact CG1-CE1 3.82Å; I40-F100 HydrophobicContact CG1-CZ 3.71Å; L54-F100 HydrophobicContact CB-CE2 3.74Å; L54-F100 HydrophobicContact CB-CZ 3.62Å; L54-F100 HydrophobicContact CD1-CZ 4.24Å; R55-F100 WeakPolarHBondContact O-CD2 3.32Å; A56-F100 HydrophobicContact CB-CB 3.74Å; A56-F100 HydrophobicContact CB-CD1 4.2Å; A56-F100 HydrophobicContact CB-CD2 3.61Å; A56-F100 HydrophobicContact CB-CE2 4.24Å; A56-F100 HydrophobicContact CB-CG 3.58Å; F75-F100 AromaticContact CE1-CD1 3.62Å; F75-F100 HydrophobicContact CE1-CD1 3.62Å; F75-F100 AromaticContact CE1-CE1 3.84Å; F75-F100 HydrophobicContact CE1-CE1 3.84Å; F75-F100 HydrophobicContact CZ-CD1 4.03Å; F75-F100 HydrophobicContact CZ-CE1 4.5Å; F88-F100 HydrophobicContact CD1-CB 4.49Å; K89-F100 WeakPolarHBondContact O-CA 3.25Å; M90-F100 HydrophobicContact CB-CD1 4.47Å; M90-F100 HydrophobicContact CB-CE1 4.44Å; M90-F100 HydrophobicContact CE-CE1 4.15Å; M90-F100 HydrophobicContact CG-CD1 3.89Å; M90-F100 HydrophobicContact CG-CE1 3.8Å; M90-F100 HydrophobicContact SD-CE1 4.48Å; F98-F100 HydrophobicContact CB-CZ 4.45Å
101K94.8Very high91.5Very high137 Ų13784.1 Ų84.160%0.59644%0.444SS*.EExtended strand (participates in β ladder)trans-120.5117.3177.2-175.9175179.71780109.2F88 K89 I91F88-K101 WeakPolarHBondContact CA-O 3.4Å; K89-K101 PolarHBondContact N-O 3.22Å; K89-K101 PolarHBondContact O-N 2.82Å; I91-K101 HydrophobicContact CD1-CB 3.91Å; I91-K101 HydrophobicContact CD1-CD 4.39Å
102A94.5Very high91.4Very high38 Ų3890 Ų9031%0.31447%0.467SS..EExtended strand (participates in β ladder)trans-63.1144.3169.600000110.3I87 F88I87-A102 CarbonylContact O-C 3.45Å; I87-A102 WeakPolarHBondContact O-CA 3.41Å; F88-A102 HydrophobicContact CD1-CB 4.07Å; F88-A102 HydrophobicContact CE1-CB 3.79Å; F88-A102 HydrophobicContact CZ-CB 4.21Å
103A92.4Very high91.6Very high36 Ų3684.5 Ų84.530%0.29845%0.448SS..  trans-60.2153.9164.800000110I87 E105I87-A103 HydrophobicContact CB-CB 4.11Å; I87-A103 PolarHBondContact O-N 2.85Å; A103-E105 VanDerWaalsContact C-N 3.25Å; A103-E105 PolarHBondContact O-N 3.11Å
104S88.3Confident91.8Very high125 Ų12584 Ų8487%0.87446%0.455SS*.SBendtrans-70.1-25.1-179.748.20000113.1
105E91.5Very high92.2Very high157 Ų15776.5 Ų76.573%0.73442%0.415SS*.SBendtrans-130143.3-175.7-62.7-176.3166.600109.8A103A103-E105 VanDerWaalsContact C-N 3.25Å; A103-E105 PolarHBondContact O-N 3.11Å
106D95.4Very high92.7Very high53 Ų5372.2 Ų72.228%0.28339%0.393SS..PPolyproline II helixtrans-91.8162.7171.4-62-35.3000110.2A84 R86A84-D106 HydrophobicContact CB-CB 3.96Å; R86-D106 VanDerWaalsContact CB-OD1 3.3Å; R86-D106 WeakPolarHBondContact CB-OD1 3.05Å; R86-D106 WeakPolarHBondContact CG-OD1 3.36Å; R86-D106 IonicContact CZ-OD1 3.74Å; R86-D106 IonicContact CZ-OD2 3.54Å; R86-D106 IonicContact NE-OD1 3.6Å; R86-D106 PolarHBondContact NE-OD1 2.98Å; R86-D106 IonicContact NE-OD2 2.98Å; R86-D106 IonicContact NH2-OD1 3.88Å; R86-D106 PolarHBondContact NH2-OD1 2.75Å; R86-D106 IonicContact NH2-OD2 3.46Å; R86-D106 PolarHBondContact NH2-OD2 3.4Å
107F96.5Very high93.5Very high13 Ų1370.6 Ų70.66%0.05738%0.375CS..PPolyproline II helixtrans-66.3151.5174.4-75.628.2000109.8A84 I85 I87 Q109 I127 W139 G143A84-F107 WeakPolarHBondContact CB-O 3.34Å; I85-F107 HydrophobicContact CB-CB 4.05Å; I85-F107 HydrophobicContact CB-CD1 4.35Å; I85-F107 HydrophobicContact CB-CD2 3.99Å; I85-F107 HydrophobicContact CB-CG 3.87Å; I85-F107 HydrophobicContact CD1-CD2 4.05Å; I85-F107 HydrophobicContact CD1-CE2 4.4Å; I85-F107 HydrophobicContact CG1-CD2 4.47Å; I85-F107 HydrophobicContact CG2-CD2 4.46Å; I85-F107 HydrophobicContact CG2-CG 4.45Å; I85-F107 PolarHBondContact O-N 3.32Å; I87-F107 HydrophobicContact CD1-CE1 3.73Å; I87-F107 HydrophobicContact CD1-CZ 4.12Å; I87-F107 HydrophobicContact CG1-CE1 4.09Å; F107-Q109 PolarHBondContact O-N 3.41Å; F107-I127 HydrophobicContact CE2-CB 4.42Å; F107-I127 HydrophobicContact CE2-CD1 3.86Å; F107-I127 HydrophobicContact CE2-CG2 4.35Å; F107-I127 HydrophobicContact CZ-CD1 3.64Å; F107-W139 HydrophobicContact CD2-CB 4.16Å; F107-W139 AromaticContact CD2-CD2 3.99Å; F107-W139 HydrophobicContact CD2-CD2 3.99Å; F107-W139 HydrophobicContact CD2-CE3 4.19Å; F107-W139 AromaticContact CD2-CG 3.98Å; F107-W139 HydrophobicContact CD2-CG 3.98Å; F107-W139 HydrophobicContact CE2-CB 3.78Å; F107-W139 HydrophobicContact CE2-CG 4.06Å; F107-G143 VanDerWaalsContact CZ-CA 3.49Å
108L93.9Very high94.2Very high112 Ų11267.8 Ų67.859%0.58636%0.358SS*.PPolyproline II helixtrans-60.7133.1179.9-65.8175.6000111.3K110 W139L108-K110 HydrophobicContact CB-CG 4.39Å; L108-K110 PolarHBondContact O-N 3.37Å; L108-W139 VanDerWaalsContact O-CH2 3.32Å; L108-W139 WeakPolarHBondContact O-CH2 3.28Å
109Q95Very high94.5Very high130 Ų13065.9 Ų65.961%0.60735%0.351SS*.  trans-65.8108.1171.3-67.6-178.9-8.200109.9G82 A84 F107G82-Q109 PolarHBondContact O-NE2 3.07Å; A84-Q109 HydrophobicContact CB-CG 4.36Å; F107-Q109 PolarHBondContact O-N 3.41Å
110K94.1Very high94.8Very high110 Ų11065.2 Ų65.248%0.47835%0.345SS..  trans-121.9-27179.6-70-68.9-172.8178.30113.6L108 L137 W139L108-K110 HydrophobicContact CB-CG 4.39Å; L108-K110 PolarHBondContact O-N 3.37Å; K110-L137 HydrophobicContact CB-CD1 3.44Å; K110-L137 VanDerWaalsContact CB-CD1 3.44Å; K110-L137 HydrophobicContact CG-CD1 4.4Å; K110-W139 HydrophobicContact CB-CH2 3.78Å; K110-W139 HydrophobicContact CB-CZ2 4.34Å; K110-W139 HydrophobicContact CG-CH2 3.54Å; K110-W139 HydrophobicContact CG-CZ3 4.14Å
111H93.4Very high94.9Very high23 Ų2363.3 Ų63.311%0.10634%0.336CS..  trans-74145.5176.9-73.8-73.5000110.7I115 S129 S131 L137H111-I115 HydrophobicContact CB-CD1 4Å; H111-I115 WeakPolarHBondContact CD2-CD1 3.44Å; H111-S129 PolarHBondContact NE2-O 2.82Å; H111-S129 PolarHBondContact NE2-OG 2.83Å; H111-S131 WeakPolarHBondContact ND1-CB 3.29Å; H111-L137 WeakPolarHBondContact NE2-CD1 3.4Å
112K90.8Very high94.9Very high201 Ų20160.7 Ų60.787%0.87433%0.326SS*.SBendtrans-113.5-3.7-179.7-63.1-179.2-1791780112.8
113A95.1Very high95Very high26 Ų2662 Ų6222%0.21533%0.33CS..SBendtrans-135.7163.5-179.400000109.8D133A113-D133 HydrophobicContact CB-CB 3.64Å
114P95.1Very high95.1Very high90 Ų9061.6 Ų61.658%0.58433%0.33SS*.  trans-55140.6-178-2835.5000112.8S131 T132P114-S131 WeakPolarHBondContact O-CA 3.25Å; P114-T132 HydrophobicContact CB-CG2 4.46Å; P114-T132 PolarHBondContact O-N 3.25Å; P114-T132 PolarHBondContact O-OG1 2.64Å
115I96.6Very high95.4Very high23 Ų2359.9 Ų59.912%0.11831%0.307CS..EExtended strand (participates in β ladder)trans-76.3136.1175-69.4-56.3000111.2L65 W78 H111 I118 A130L65-I115 HydrophobicContact CD1-CG2 3.54Å; W78-I115 HydrophobicContact CD2-CB 4.05Å; W78-I115 HydrophobicContact CD2-CG1 3.62Å; W78-I115 HydrophobicContact CD2-CG2 4.19Å; W78-I115 HydrophobicContact CE3-CG1 3.87Å; W78-I115 HydrophobicContact CE3-CG2 4.5Å; W78-I115 HydrophobicContact CG-CB 4.34Å; W78-I115 HydrophobicContact CG-CG1 4.4Å; W78-I115 HydrophobicContact CG-CG2 4.32Å; W78-I115 HydrophobicContact CH2-CD1 3.89Å; W78-I115 HydrophobicContact CH2-CG1 3.42Å; W78-I115 VanDerWaalsContact CH2-CG1 3.42Å; W78-I115 HydrophobicContact CZ2-CB 4.21Å; W78-I115 HydrophobicContact CZ2-CD1 4.05Å; W78-I115 HydrophobicContact CZ2-CG1 3.13Å; W78-I115 HydrophobicContact CZ3-CD1 4.2Å; W78-I115 HydrophobicContact CZ3-CG1 3.78Å; H111-I115 HydrophobicContact CB-CD1 4Å; H111-I115 WeakPolarHBondContact CD2-CD1 3.44Å; I115-I118 HydrophobicContact CG2-CG2 4.11Å; I115-A130 CarbonylContact C-O 3.51Å; I115-A130 WeakPolarHBondContact CA-O 3.27Å; I115-A130 WeakPolarHBondContact CD1-O 3.38Å; I115-A130 WeakPolarHBondContact CG2-O 3.24Å
116V96.4Very high95.8Very high23 Ų2352.4 Ų52.414%0.13927%0.272CS..EExtended strand (participates in β ladder)trans-95-34.7173.2-61.40000112.4A130 T132 N156V116-A130 HydrophobicContact CG2-CB 3.74Å; V116-A130 WeakPolarHBondContact CG2-O 3.29Å; V116-A130 PolarHBondContact N-O 2.85Å; V116-T132 HydrophobicContact CG1-CG2 3.34Å; V116-N156 HydrophobicContact CG2-CB 4.34Å
117N97.8Very high95.9Very high3 Ų349.9 Ų49.92%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-162.1160.4175.8-147.3-7.1000113.1R67 A130 Y158 A159R67-N117 PolarHBondContact NH2-OD1 2.82Å; N117-A130 PolarHBondContact N-O 3.1Å; N117-A130 PolarHBondContact O-N 2.82Å; N117-Y158 WeakPolarHBondContact ND2-CE2 3.48Å; N117-A159 VanDerWaalsContact CB-O 3.26Å; N117-A159 WeakPolarHBondContact CB-O 3.44Å; N117-A159 PolarHBondContact ND2-O 2.84Å
118I98.6Very high96Very high1 Ų149.3 Ų49.31%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-126.4157.416764.7178000109.7L65 R67 I76 W78 I85 I115 M128L65-I118 HydrophobicContact CB-CD1 3.82Å; L65-I118 HydrophobicContact CB-CG1 3.82Å; L65-I118 HydrophobicContact CD1-CG1 4.2Å; L65-I118 HydrophobicContact CD1-CG2 4.09Å; R67-I118 HydrophobicContact CG-CD1 4.49Å; R67-I118 HydrophobicContact CG-CG1 3.91Å; R67-I118 WeakPolarHBondContact CG-O 3.32Å; R67-I118 PolarHBondContact NE-O 3.44Å; R67-I118 VanDerWaalsContact NE-O 3.1Å; I76-I118 HydrophobicContact CD1-CB 4.41Å; I76-I118 HydrophobicContact CD1-CD1 4.03Å; I76-I118 HydrophobicContact CD1-CG1 4.33Å; I76-I118 HydrophobicContact CG1-CD1 3.96Å; W78-I118 HydrophobicContact CB-CD1 4.21Å; W78-I118 HydrophobicContact CB-CG2 4.23Å; W78-I118 HydrophobicContact CE3-CG2 4.06Å; I85-I118 HydrophobicContact CD1-CG2 4.34Å; I85-I118 HydrophobicContact CG1-CG2 4.4Å; I115-I118 HydrophobicContact CG2-CG2 4.11Å; I118-M128 CarbonylContact C-O 3.55Å; I118-M128 VanDerWaalsContact CA-O 3.23Å; I118-M128 WeakPolarHBondContact CA-O 3.27Å
119G97.9Very high96.2Very high6 Ų644 Ų446%0.06223%0.228CC..EExtended strand (participates in β ladder)trans-154.7151.8176.700000111.6I127 M128G119-I127 CarbonylContact O-C 3.48Å; G119-I127 WeakPolarHBondContact O-CA 3.39Å; G119-I127 WeakPolarHBondContact O-CG2 3.45Å; G119-M128 PolarHBondContact N-O 3.34Å; G119-M128 PolarHBondContact O-N 3.13Å
120I98.1Very high96.4Very high23 Ų2337.8 Ų37.812%0.11820%0.199CC..EExtended strand (participates in β ladder)trans-116.5135.2168.6-176.8164.1000107.9R67 F68 I76 I127 L141R67-I120 HydrophobicContact CB-CG2 4.42Å; F68-I120 WeakPolarHBondContact O-CG2 3.47Å; I76-I120 HydrophobicContact CD1-CB 4.31Å; I120-I127 HydrophobicContact CB-CG1 4.16Å; I120-I127 HydrophobicContact CD1-CD1 4.45Å; I120-I127 HydrophobicContact CD1-CG1 4.16Å; I120-I127 HydrophobicContact CG1-CG1 3.96Å; I120-L141 HydrophobicContact CD1-CD2 4.08Å; I120-L141 HydrophobicContact CG1-CD2 4.46Å
121A97.8Very high96.6Very high0 Ų032.5 Ų32.50%018%0.176CC..  trans-70.7134.5179.300000110.6P70 T123 G124 F126 V161P70-A121 WeakPolarHBondContact CG-O 3.38Å; A121-T123 PolarHBondContact O-N 2.84Å; A121-G124 WeakPolarHBondContact O-CA 3.37Å; A121-G124 PolarHBondContact O-N 3.03Å; A121-F126 HydrophobicContact CB-CD1 3.55Å; A121-F126 HydrophobicContact CB-CD2 4.16Å; A121-F126 HydrophobicContact CB-CE1 3.37Å; A121-F126 HydrophobicContact CB-CE2 3.98Å; A121-F126 HydrophobicContact CB-CG 3.97Å; A121-F126 HydrophobicContact CB-CZ 3.6Å; A121-F126 WeakPolarHBondContact CB-O 3.44Å; A121-F126 PolarHBondContact N-O 2.9Å; A121-V161 HydrophobicContact CB-CG1 4.17Å
122E95.1Very high96.7Very high81 Ų8133.7 Ų33.738%0.37919%0.185SC..THydrogen-bonded Turntrans-57.9-21174.2-73.8-63.7152.400113.3S24 P70 G124 P163S24-E122 WeakPolarHBondContact CB-OE2 3.38Å; S24-E122 PolarHBondContact OG-OE1 3.39Å; S24-E122 PolarHBondContact OG-OE2 3.19Å; P70-E122 WeakPolarHBondContact CB-O 3.35Å; P70-E122 WeakPolarHBondContact CB-OE2 3.44Å; E122-G124 PolarHBondContact O-N 3.33Å; E122-P163 VanDerWaalsContact CB-O 3.3Å; E122-P163 WeakPolarHBondContact CB-O 3.39Å; E122-P163 VanDerWaalsContact CG-O 3.31Å; E122-P163 WeakPolarHBondContact CG-O 3.22Å
123T95Very high96.9Very high65 Ų6526.6 Ų26.640%0.39916%0.157SC..THydrogen-bonded Turntrans-70.9-13.4171.257.10000113.7A121 K125 G165A121-T123 PolarHBondContact O-N 2.84Å; T123-K125 PolarHBondContact O-N 2.8Å; T123-G165 PolarHBondContact OG1-O 2.98Å
124G94.6Very high96.8Very high28 Ų2826.2 Ų26.229%0.28915%0.151SC..SBendtrans68.518.5-173.900000113.9A121 E122 L141A121-G124 WeakPolarHBondContact O-CA 3.37Å; A121-G124 PolarHBondContact O-N 3.03Å; E122-G124 PolarHBondContact O-N 3.33Å; G124-L141 WeakPolarHBondContact O-CD1 3.37Å
125K95.9Very high96.9Very high89 Ų8923.3 Ų23.339%0.38713%0.132SC..SBendtrans-98-27-173.4-66.5-173.8178.4-176.40114.8T123 F184T123-K125 PolarHBondContact O-N 2.8Å; K125-F184 HydrophobicContact CB-CD1 4.41Å; K125-F184 HydrophobicContact CB-CD2 4.32Å; K125-F184 HydrophobicContact CB-CE1 3.93Å; K125-F184 HydrophobicContact CB-CE2 3.83Å; K125-F184 HydrophobicContact CB-CZ 3.63Å; K125-F184 HydrophobicContact CD-CB 4.29Å; K125-F184 HydrophobicContact CD-CD1 4.1Å; K125-F184 HydrophobicContact CD-CD2 3.89Å; K125-F184 HydrophobicContact CD-CE1 4.44Å; K125-F184 HydrophobicContact CD-CE2 4.25Å; K125-F184 HydrophobicContact CD-CG 3.82Å
126F98.3Very high97Very high0 Ų022.2 Ų22.20%013%0.127CC..  trans-150.8162.2-178.568-88.2000112.7A121 I138 W139 V161 G165 V168 V182 F184A121-F126 HydrophobicContact CB-CD1 3.55Å; A121-F126 HydrophobicContact CB-CD2 4.16Å; A121-F126 HydrophobicContact CB-CE1 3.37Å; A121-F126 HydrophobicContact CB-CE2 3.98Å; A121-F126 HydrophobicContact CB-CG 3.97Å; A121-F126 HydrophobicContact CB-CZ 3.6Å; A121-F126 WeakPolarHBondContact CB-O 3.44Å; A121-F126 PolarHBondContact N-O 2.9Å; F126-I138 HydrophobicContact CB-CG2 3.88Å; F126-I138 HydrophobicContact CD2-CD1 4.44Å; F126-I138 HydrophobicContact CD2-CG2 3.99Å; F126-I138 HydrophobicContact CG-CG2 4.12Å; F126-W139 CarbonylContact C-O 3.54Å; F126-W139 WeakPolarHBondContact CA-O 3.39Å; F126-W139 VanDerWaalsContact CB-O 3.3Å; F126-W139 WeakPolarHBondContact CB-O 3.36Å; F126-V161 HydrophobicContact CE2-CG1 4.04Å; F126-V161 HydrophobicContact CE2-CG2 4.18Å; F126-V161 HydrophobicContact CZ-CG1 3.92Å; F126-G165 VanDerWaalsContact CE1-O 3.32Å; F126-G165 WeakPolarHBondContact CE1-O 3.31Å; F126-V168 HydrophobicContact CE2-CG1 3.61Å; F126-V168 HydrophobicContact CZ-CG1 4.05Å; F126-V182 HydrophobicContact CD1-CB 4.17Å; F126-V182 HydrophobicContact CD1-CG1 3.9Å; F126-V182 HydrophobicContact CD2-CG2 4.47Å; F126-V182 HydrophobicContact CE1-CB 3.74Å; F126-V182 HydrophobicContact CE1-CG1 4.01Å; F126-V182 HydrophobicContact CE1-CG2 3.99Å; F126-V182 HydrophobicContact CE2-CG2 3.95Å; F126-V182 HydrophobicContact CG-CG1 4.22Å; F126-V182 HydrophobicContact CZ-CB 3.97Å; F126-V182 HydrophobicContact CZ-CG1 4.46Å; F126-V182 HydrophobicContact CZ-CG2 3.67Å; F126-F184 HydrophobicContact CB-CZ 4.13Å; F126-F184 AromaticContact CD1-CE2 3.68Å; F126-F184 HydrophobicContact CD1-CE2 3.68Å; F126-F184 AromaticContact CD1-CZ 4Å; F126-F184 HydrophobicContact CD1-CZ 4Å; F126-F184 HydrophobicContact CE1-CE2 4.32Å
127I98.6Very high97.1Very high1 Ų121.5 Ų21.51%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-116.6146168.7-70.7161.9000108.2I76 I85 F107 G119 I120 I138 W139 L141I76-I127 HydrophobicContact CD1-CG1 4.4Å; I76-I127 HydrophobicContact CD1-CG2 3.82Å; I76-I127 HydrophobicContact CG2-CD1 4.18Å; I85-I127 HydrophobicContact CD1-CG2 3.56Å; F107-I127 HydrophobicContact CE2-CB 4.42Å; F107-I127 HydrophobicContact CE2-CD1 3.86Å; F107-I127 HydrophobicContact CE2-CG2 4.35Å; F107-I127 HydrophobicContact CZ-CD1 3.64Å; G119-I127 CarbonylContact O-C 3.48Å; G119-I127 WeakPolarHBondContact O-CA 3.39Å; G119-I127 WeakPolarHBondContact O-CG2 3.45Å; I120-I127 HydrophobicContact CB-CG1 4.16Å; I120-I127 HydrophobicContact CD1-CD1 4.45Å; I120-I127 HydrophobicContact CD1-CG1 4.16Å; I120-I127 HydrophobicContact CG1-CG1 3.96Å; I127-I138 WeakPolarHBondContact O-CA 3.34Å; I127-W139 HydrophobicContact CB-CB 4.3Å; I127-W139 PolarHBondContact N-O 3.21Å; I127-W139 PolarHBondContact O-N 2.7Å; I127-L141 HydrophobicContact CD1-CD2 3.87Å; I127-L141 HydrophobicContact CG1-CD2 3.92Å
128M98.7Very high97.2Very high0 Ų021.4 Ų21.40%012%0.121CC..EExtended strand (participates in β ladder)trans-114.9139.3175.9-177-155.571.800109.2I118 G119 A130 I136 L137 I138 A159 V161 V168I118-M128 CarbonylContact C-O 3.55Å; I118-M128 VanDerWaalsContact CA-O 3.23Å; I118-M128 WeakPolarHBondContact CA-O 3.27Å; G119-M128 PolarHBondContact N-O 3.34Å; G119-M128 PolarHBondContact O-N 3.13Å; M128-A130 HydrophobicContact CE-CB 4.48Å; M128-I136 HydrophobicContact CG-CG2 3.45Å; M128-I136 VanDerWaalsContact CG-CG2 3.45Å; M128-I136 HydrophobicContact SD-CG2 4.08Å; M128-L137 WeakPolarHBondContact CA-O 3.44Å; M128-I138 HydrophobicContact CB-CD1 4.24Å; M128-I138 HydrophobicContact CG-CD1 4.08Å; M128-A159 HydrophobicContact CE-CB 4.12Å; M128-A159 HydrophobicContact SD-CB 4.39Å; M128-V161 HydrophobicContact CB-CG2 3.6Å; M128-V161 HydrophobicContact CE-CG2 4.24Å; M128-V161 HydrophobicContact CG-CG2 4.36Å; M128-V161 HydrophobicContact SD-CG2 3.96Å; M128-V168 HydrophobicContact CB-CG1 4.3Å; M128-V168 HydrophobicContact CG-CG1 4.08Å; M128-V168 HydrophobicContact SD-CB 4.01Å; M128-V168 HydrophobicContact SD-CG1 3.94Å
129S98.5Very high97.1Very high0 Ų021.5 Ų21.50%012%0.121CC..EExtended strand (participates in β ladder)trans-131.7132.1162.956.40000109.5H111 I136 L137 W139H111-S129 PolarHBondContact NE2-O 2.82Å; H111-S129 PolarHBondContact NE2-OG 2.83Å; S129-I136 CarbonylContact O-C 3.58Å; S129-I136 WeakPolarHBondContact O-CA 3.37Å; S129-L137 PolarHBondContact N-O 3.11Å; S129-L137 PolarHBondContact O-N 2.84Å; S129-W139 PolarHBondContact OG-NE1 2.92Å
130A98.1Very high97.1Very high0 Ų022.5 Ų22.50%013%0.125CC..EExtended strand (participates in β ladder)trans-120.8135.2-178.100000110.5I115 V116 N117 M128 I136 A159I115-A130 CarbonylContact C-O 3.51Å; I115-A130 WeakPolarHBondContact CA-O 3.27Å; I115-A130 WeakPolarHBondContact CD1-O 3.38Å; I115-A130 WeakPolarHBondContact CG2-O 3.24Å; V116-A130 HydrophobicContact CG2-CB 3.74Å; V116-A130 WeakPolarHBondContact CG2-O 3.29Å; V116-A130 PolarHBondContact N-O 2.85Å; N117-A130 PolarHBondContact N-O 3.1Å; N117-A130 PolarHBondContact O-N 2.82Å; M128-A130 HydrophobicContact CE-CB 4.48Å; A130-I136 HydrophobicContact CB-CG1 3.95Å; A130-I136 HydrophobicContact CB-CG2 4.42Å; A130-A159 HydrophobicContact CB-CB 3.36Å
131S97.4Very high96.9Very high0 Ų025.1 Ų25.10%014%0.139CC..EExtended strand (participates in β ladder)trans-108.8158.6-178.9158.50000111.1H111 P114 D133 T135 N156H111-S131 WeakPolarHBondContact ND1-CB 3.29Å; P114-S131 WeakPolarHBondContact O-CA 3.25Å; S131-D133 VanDerWaalsContact CB-OD1 3.24Å; S131-D133 WeakPolarHBondContact CB-OD1 3.4Å; S131-D133 PolarHBondContact O-N 2.8Å; S131-D133 PolarHBondContact OG-N 3.16Å; S131-D133 VanDerWaalsContact OG-N 3.1Å; S131-D133 PolarHBondContact OG-OD1 2.91Å; S131-T135 PolarHBondContact N-O 2.99Å; S131-N156 WeakPolarHBondContact O-CB 3.48Å; S131-N156 PolarHBondContact O-ND2 2.87Å
132T96.8Very high96.7Very high47 Ų4733.6 Ų33.629%0.28818%0.176SC..THydrogen-bonded Turntrans-62.1-27.4171.849.70000112.6P114 V116 T134 T155 N156P114-T132 HydrophobicContact CB-CG2 4.46Å; P114-T132 PolarHBondContact O-N 3.25Å; P114-T132 PolarHBondContact O-OG1 2.64Å; V116-T132 HydrophobicContact CG1-CG2 3.34Å; T132-T134 PolarHBondContact O-N 3.48Å; T132-T155 WeakPolarHBondContact O-CA 3.21Å; T132-N156 PolarHBondContact O-N 3.32Å; T132-N156 VanDerWaalsContact O-N 3.14Å
133D93.6Very high96.7Very high53 Ų5330.1 Ų30.128%0.28316%0.162SC..THydrogen-bonded Turntrans-75.922.4-177.7720.6000115.7A113 S131 T135A113-D133 HydrophobicContact CB-CB 3.64Å; S131-D133 VanDerWaalsContact CB-OD1 3.24Å; S131-D133 WeakPolarHBondContact CB-OD1 3.4Å; S131-D133 PolarHBondContact O-N 2.8Å; S131-D133 PolarHBondContact OG-N 3.16Å; S131-D133 VanDerWaalsContact OG-N 3.1Å; S131-D133 PolarHBondContact OG-OD1 2.91Å; D133-T135 PolarHBondContact O-N 2.79Å; D133-T135 WeakPolarHBondContact OD1-CB 3.14Å; D133-T135 PolarHBondContact OD1-N 3.26Å; D133-T135 VanDerWaalsContact OD1-N 3.08Å; D133-T135 PolarHBondContact OD1-OG1 3.31Å
134T94.1Very high96.8Very high17 Ų1733.1 Ų33.110%0.10417%0.171CC..SBendtrans72.3-0.3-175.9750000115.9T132 N150 T151 M154 N156T132-T134 PolarHBondContact O-N 3.48Å; T134-N150 PolarHBondContact OG1-OD1 2.66Å; T134-T151 WeakPolarHBondContact CB-OG1 3.41Å; T134-T151 WeakPolarHBondContact O-CG2 3.17Å; T134-T151 PolarHBondContact O-N 3.28Å; T134-T151 PolarHBondContact O-OG1 2.77Å; T134-M154 VanDerWaalsContact CG2-O 3.23Å; T134-M154 WeakPolarHBondContact CG2-O 3.25Å; T134-N156 VanDerWaalsContact CA-ND2 3.32Å; T134-N156 WeakPolarHBondContact CA-ND2 3.49Å
135T97.4Very high97Very high30 Ų3035.4 Ų35.418%0.18418%0.176CC..EExtended strand (participates in β ladder)trans-89.8132.6-179.1-470000112.1S131 D133 L137 I149S131-T135 PolarHBondContact N-O 2.99Å; D133-T135 PolarHBondContact O-N 2.79Å; D133-T135 WeakPolarHBondContact OD1-CB 3.14Å; D133-T135 PolarHBondContact OD1-N 3.26Å; D133-T135 VanDerWaalsContact OD1-N 3.08Å; D133-T135 PolarHBondContact OD1-OG1 3.31Å; T135-L137 HydrophobicContact CG2-CD2 3.62Å; T135-L137 HydrophobicContact CG2-CG 4.06Å; T135-I149 WeakPolarHBondContact CA-O 3.44Å
136I98.4Very high97.1Very high0 Ų033.6 Ų33.60%017%0.171CC..EExtended strand (participates in β ladder)trans-117.6126.6162.4-52172.8000108M128 S129 A130 I138 I149 T151 W180M128-I136 HydrophobicContact CG-CG2 3.45Å; M128-I136 VanDerWaalsContact CG-CG2 3.45Å; M128-I136 HydrophobicContact SD-CG2 4.08Å; S129-I136 CarbonylContact O-C 3.58Å; S129-I136 WeakPolarHBondContact O-CA 3.37Å; A130-I136 HydrophobicContact CB-CG1 3.95Å; A130-I136 HydrophobicContact CB-CG2 4.42Å; I136-I138 HydrophobicContact CG2-CD1 4.21Å; I136-I149 HydrophobicContact CB-CB 4.15Å; I136-I149 HydrophobicContact CB-CD1 4.26Å; I136-I149 HydrophobicContact CG2-CD1 4.31Å; I136-I149 PolarHBondContact N-O 2.91Å; I136-I149 PolarHBondContact O-N 3.15Å; I136-T151 HydrophobicContact CD1-CG2 3.64Å; I136-T151 HydrophobicContact CG1-CG2 3.85Å; I136-W180 HydrophobicContact CD1-CZ3 4.07Å
137L98.6Very high97.1Very high8 Ų834.6 Ų34.64%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-104134.3174.9-58.1-178.6000109.8K110 H111 M128 S129 T135 W139 L145 S148K110-L137 HydrophobicContact CB-CD1 3.44Å; K110-L137 VanDerWaalsContact CB-CD1 3.44Å; K110-L137 HydrophobicContact CG-CD1 4.4Å; H111-L137 WeakPolarHBondContact NE2-CD1 3.4Å; M128-L137 WeakPolarHBondContact CA-O 3.44Å; S129-L137 PolarHBondContact N-O 3.11Å; S129-L137 PolarHBondContact O-N 2.84Å; T135-L137 HydrophobicContact CG2-CD2 3.62Å; T135-L137 HydrophobicContact CG2-CG 4.06Å; L137-W139 HydrophobicContact CB-CZ2 3.82Å; L137-W139 HydrophobicContact CD1-CH2 4.01Å; L137-W139 HydrophobicContact CD1-CZ2 3.5Å; L137-W139 VanDerWaalsContact CD1-CZ2 3.5Å; L137-W139 HydrophobicContact CG-CZ2 4.31Å; L137-L145 HydrophobicContact CB-CD1 3.75Å; L137-L145 HydrophobicContact CD1-CD1 4.28Å; L137-L145 HydrophobicContact CD2-CD1 3.93Å; L137-L145 HydrophobicContact CG-CD1 4.18Å; L137-S148 WeakPolarHBondContact CD2-OG 3.24Å
138I98.6Very high97Very high0 Ų038.2 Ų38.20%020%0.204CC..EExtended strand (participates in β ladder)trans-107125.8174.3-54.3-56.6000107.9F126 I127 M128 I136 L146 A147 I149 V168 V182 V193F126-I138 HydrophobicContact CB-CG2 3.88Å; F126-I138 HydrophobicContact CD2-CD1 4.44Å; F126-I138 HydrophobicContact CD2-CG2 3.99Å; F126-I138 HydrophobicContact CG-CG2 4.12Å; I127-I138 WeakPolarHBondContact O-CA 3.34Å; M128-I138 HydrophobicContact CB-CD1 4.24Å; M128-I138 HydrophobicContact CG-CD1 4.08Å; I136-I138 HydrophobicContact CG2-CD1 4.21Å; I138-L146 HydrophobicContact CG2-CB 4.36Å; I138-L146 HydrophobicContact CG2-CD1 4.36Å; I138-L146 WeakPolarHBondContact O-CB 3.48Å; I138-L146 PolarHBondContact O-N 2.89Å; I138-A147 HydrophobicContact CB-CB 4.33Å; I138-A147 PolarHBondContact N-O 2.89Å; I138-A147 PolarHBondContact O-N 3.46Å; I138-I149 HydrophobicContact CD1-CD1 4.27Å; I138-I149 HydrophobicContact CG1-CD1 4.15Å; I138-V168 HydrophobicContact CD1-CG1 3.88Å; I138-V168 HydrophobicContact CD1-CG2 4.31Å; I138-V182 HydrophobicContact CD1-CG2 4.39Å; I138-V182 HydrophobicContact CG2-CG1 4.11Å; I138-V193 HydrophobicContact CG1-CG2 4.15Å
139W98.4Very high97Very high3 Ų338.8 Ų38.81%0.01121%0.207CC..EExtended strand (participates in β ladder)trans-118.5153.5-175.7-46.886.7000110.2F107 L108 K110 F126 I127 S129 L137 E144 L145F107-W139 HydrophobicContact CD2-CB 4.16Å; F107-W139 AromaticContact CD2-CD2 3.99Å; F107-W139 HydrophobicContact CD2-CD2 3.99Å; F107-W139 HydrophobicContact CD2-CE3 4.19Å; F107-W139 AromaticContact CD2-CG 3.98Å; F107-W139 HydrophobicContact CD2-CG 3.98Å; F107-W139 HydrophobicContact CE2-CB 3.78Å; F107-W139 HydrophobicContact CE2-CG 4.06Å; L108-W139 VanDerWaalsContact O-CH2 3.32Å; L108-W139 WeakPolarHBondContact O-CH2 3.28Å; K110-W139 HydrophobicContact CB-CH2 3.78Å; K110-W139 HydrophobicContact CB-CZ2 4.34Å; K110-W139 HydrophobicContact CG-CH2 3.54Å; K110-W139 HydrophobicContact CG-CZ3 4.14Å; F126-W139 CarbonylContact C-O 3.54Å; F126-W139 WeakPolarHBondContact CA-O 3.39Å; F126-W139 VanDerWaalsContact CB-O 3.3Å; F126-W139 WeakPolarHBondContact CB-O 3.36Å; I127-W139 HydrophobicContact CB-CB 4.3Å; I127-W139 PolarHBondContact N-O 3.21Å; I127-W139 PolarHBondContact O-N 2.7Å; S129-W139 PolarHBondContact OG-NE1 2.92Å; L137-W139 HydrophobicContact CB-CZ2 3.82Å; L137-W139 HydrophobicContact CD1-CH2 4.01Å; L137-W139 HydrophobicContact CD1-CZ2 3.5Å; L137-W139 VanDerWaalsContact CD1-CZ2 3.5Å; L137-W139 HydrophobicContact CG-CZ2 4.31Å; W139-E144 CarbonylContact C-O 3.6Å; W139-E144 VanDerWaalsContact CA-O 3.25Å; W139-E144 WeakPolarHBondContact CA-O 3.27Å; W139-L145 HydrophobicContact CD2-CD1 4.24Å; W139-L145 HydrophobicContact CE3-CB 4.07Å; W139-L145 HydrophobicContact CE3-CD1 4.12Å; W139-L145 HydrophobicContact CH2-CD1 4.4Å; W139-L145 HydrophobicContact CZ2-CD1 4.48Å; W139-L145 HydrophobicContact CZ3-CB 4.04Å; W139-L145 HydrophobicContact CZ3-CD1 4.2Å
140D96.8Very high96.9Very high27 Ų2743 Ų4314%0.14423%0.23CC..  trans-75.1177.8160.986-12.5000110.5K142 G143 E144 L146D140-K142 PolarHBondContact O-N 2.94Å; D140-K142 WeakPolarHBondContact OD1-CA 3.37Å; D140-K142 WeakPolarHBondContact OD1-CB 3.42Å; D140-K142 PolarHBondContact OD1-N 2.86Å; D140-G143 PolarHBondContact O-N 3.26Å; D140-G143 PolarHBondContact OD1-N 3.4Å; D140-E144 PolarHBondContact N-O 2.69Å; D140-E144 PolarHBondContact OD1-N 3.41Å; D140-L146 HydrophobicContact CB-CD1 4Å; D140-L146 HydrophobicContact CB-CD2 4.15Å; D140-L146 HydrophobicContact CB-CG 4.11Å
141L94.4Very high96.8Very high79 Ų7943 Ų4341%0.41423%0.23SC..THydrogen-bonded Turntrans-74.6-10.4178.9-62.7-169.3000114.2I120 G124 I127I120-L141 HydrophobicContact CD1-CD2 4.08Å; I120-L141 HydrophobicContact CG1-CD2 4.46Å; G124-L141 WeakPolarHBondContact O-CD1 3.37Å; I127-L141 HydrophobicContact CD1-CD2 3.87Å; I127-L141 HydrophobicContact CG1-CD2 3.92Å
142K93.8Very high96.6Very high178 Ų17848.8 Ų48.877%0.77426%0.261SS*.THydrogen-bonded Turntrans-93.7-10178.7-60.1177.7-177.5172.90112.3D140D140-K142 PolarHBondContact O-N 2.94Å; D140-K142 WeakPolarHBondContact OD1-CA 3.37Å; D140-K142 WeakPolarHBondContact OD1-CB 3.42Å; D140-K142 PolarHBondContact OD1-N 2.86Å
143G95.4Very high96.3Very high7 Ų746.5 Ų46.57%0.07225%0.247CC..SBendtrans97.511.1-179.100000114.4F107 D140F107-G143 VanDerWaalsContact CZ-CA 3.49Å; D140-G143 PolarHBondContact O-N 3.26Å; D140-G143 PolarHBondContact OD1-N 3.4Å
144E96.3Very high96.2Very high129 Ų12950.4 Ų50.460%0.60327%0.265SS*.  trans-80.7137.4173.1-60.9-170.9158.600110.5W139 D140 L146W139-E144 CarbonylContact C-O 3.6Å; W139-E144 VanDerWaalsContact CA-O 3.25Å; W139-E144 WeakPolarHBondContact CA-O 3.27Å; D140-E144 PolarHBondContact N-O 2.69Å; D140-E144 PolarHBondContact OD1-N 3.41Å; E144-L146 PolarHBondContact O-N 3.23Å
145L98Very high96.2Very high75 Ų7552.9 Ų52.939%0.39328%0.28SS..EExtended strand (participates in β ladder)trans-77.3117.7179.3-177.968.6000110.1L137 W139L137-L145 HydrophobicContact CB-CD1 3.75Å; L137-L145 HydrophobicContact CD1-CD1 4.28Å; L137-L145 HydrophobicContact CD2-CD1 3.93Å; L137-L145 HydrophobicContact CG-CD1 4.18Å; W139-L145 HydrophobicContact CD2-CD1 4.24Å; W139-L145 HydrophobicContact CE3-CB 4.07Å; W139-L145 HydrophobicContact CE3-CD1 4.12Å; W139-L145 HydrophobicContact CH2-CD1 4.4Å; W139-L145 HydrophobicContact CZ2-CD1 4.48Å; W139-L145 HydrophobicContact CZ3-CB 4.04Å; W139-L145 HydrophobicContact CZ3-CD1 4.2Å
146L97.9Very high96.2Very high51 Ų5151.6 Ų51.627%0.26727%0.272SS..EExtended strand (participates in β ladder)trans-89-44.9177.6-62.9176.4000112I138 D140 E144 F190I138-L146 HydrophobicContact CG2-CB 4.36Å; I138-L146 HydrophobicContact CG2-CD1 4.36Å; I138-L146 WeakPolarHBondContact O-CB 3.48Å; I138-L146 PolarHBondContact O-N 2.89Å; D140-L146 HydrophobicContact CB-CD1 4Å; D140-L146 HydrophobicContact CB-CD2 4.15Å; D140-L146 HydrophobicContact CB-CG 4.11Å; E144-L146 PolarHBondContact O-N 3.23Å; L146-F190 HydrophobicContact CB-CD1 4.04Å; L146-F190 HydrophobicContact CB-CD2 4.17Å; L146-F190 HydrophobicContact CB-CE1 4.24Å; L146-F190 HydrophobicContact CB-CE2 4.37Å; L146-F190 HydrophobicContact CB-CG 4.01Å; L146-F190 HydrophobicContact CB-CZ 4.41Å; L146-F190 HydrophobicContact CD1-CB 4.12Å; L146-F190 HydrophobicContact CD1-CD2 4.14Å; L146-F190 HydrophobicContact CD1-CG 4.14Å; L146-F190 HydrophobicContact CD2-CB 3.98Å; L146-F190 HydrophobicContact CD2-CD1 4.39Å; L146-F190 HydrophobicContact CD2-CG 4.19Å; L146-F190 HydrophobicContact CG-CB 4.49Å; L146-F190 HydrophobicContact CG-CG 4.35Å; L146-F190 WeakPolarHBondContact O-CE1 3.37Å
147A98.3Very high96.1Very high21 Ų2153.8 Ų53.817%0.17429%0.287CS..EExtended strand (participates in β ladder)trans-156.4158.7-178.300000112.9I138 F190 V193I138-A147 HydrophobicContact CB-CB 4.33Å; I138-A147 PolarHBondContact N-O 2.89Å; I138-A147 PolarHBondContact O-N 3.46Å; A147-F190 HydrophobicContact CB-CE1 4.26Å; A147-F190 HydrophobicContact CB-CE2 4.43Å; A147-F190 HydrophobicContact CB-CZ 3.67Å; A147-V193 HydrophobicContact CB-CG2 3.78Å
148S97.9Very high96Very high77 Ų7754.1 Ų54.154%0.53829%0.288SS..EExtended strand (participates in β ladder)trans-123.5128.8171.9-178.70000109.5L137L137-S148 WeakPolarHBondContact CD2-OG 3.24Å
149I98.3Very high96Very high12 Ų1254.1 Ų54.16%0.06229%0.288CS..EExtended strand (participates in β ladder)trans-109.4128177.6-50.2166.4000107.4T135 I136 I138 V168 W180 V193T135-I149 WeakPolarHBondContact CA-O 3.44Å; I136-I149 HydrophobicContact CB-CB 4.15Å; I136-I149 HydrophobicContact CB-CD1 4.26Å; I136-I149 HydrophobicContact CG2-CD1 4.31Å; I136-I149 PolarHBondContact N-O 2.91Å; I136-I149 PolarHBondContact O-N 3.15Å; I138-I149 HydrophobicContact CD1-CD1 4.27Å; I138-I149 HydrophobicContact CG1-CD1 4.15Å; I149-V168 HydrophobicContact CD1-CG2 3.64Å; I149-W180 HydrophobicContact CD1-CB 4.48Å; I149-W180 HydrophobicContact CD1-CG 4.4Å; I149-W180 HydrophobicContact CG2-CD2 3.93Å; I149-W180 HydrophobicContact CG2-CE3 4.48Å; I149-W180 HydrophobicContact CG2-CG 4.31Å; I149-W180 HydrophobicContact CG2-CH2 4.36Å; I149-W180 HydrophobicContact CG2-CZ2 3.79Å; I149-V193 HydrophobicContact CD1-CG1 3.66Å; I149-V193 HydrophobicContact CG1-CB 4.45Å; I149-V193 HydrophobicContact CG1-CG1 3.92Å
150N97Very high96Very high88 Ų8854.5 Ų54.547%0.47129%0.292SS..EExtended strand (participates in β ladder)trans-97.4114.9165.5-175-27.1000108.4T134 N152T134-N150 PolarHBondContact OG1-OD1 2.66Å; N150-N152 PolarHBondContact O-N 2.98Å; N150-N152 PolarHBondContact O-ND2 3.42Å; N150-N152 WeakPolarHBondContact OD1-CA 3.23Å; N150-N152 PolarHBondContact OD1-N 2.92Å; N150-N152 PolarHBondContact OD1-OD1 3.42Å
151T95.6Very high96.1Very high1 Ų154.3 Ų54.31%0.00629%0.292CS..  trans-71.8-21.2-177.467.50000112.3T134 I136 Q153 N156 K178 W180T134-T151 WeakPolarHBondContact CB-OG1 3.41Å; T134-T151 WeakPolarHBondContact O-CG2 3.17Å; T134-T151 PolarHBondContact O-N 3.28Å; T134-T151 PolarHBondContact O-OG1 2.77Å; I136-T151 HydrophobicContact CD1-CG2 3.64Å; I136-T151 HydrophobicContact CG1-CG2 3.85Å; T151-Q153 WeakPolarHBondContact O-CG 3.29Å; T151-Q153 PolarHBondContact O-N 3.48Å; T151-Q153 PolarHBondContact OG1-N 2.96Å; T151-N156 PolarHBondContact OG1-OD1 3.02Å; T151-K178 WeakPolarHBondContact O-CD 3.23Å; T151-K178 WeakPolarHBondContact O-CE 3.31Å; T151-W180 HydrophobicContact CG2-CH2 3.61Å; T151-W180 HydrophobicContact CG2-CZ2 4.31Å; T151-W180 HydrophobicContact CG2-CZ3 4.26Å
152N93.3Very high96.2Very high121 Ų12150.6 Ų50.665%0.64727%0.273SS*.  trans53.234.5-173.3-60.8-67.4000112.8N150N150-N152 PolarHBondContact O-N 2.98Å; N150-N152 PolarHBondContact O-ND2 3.42Å; N150-N152 WeakPolarHBondContact OD1-CA 3.23Å; N150-N152 PolarHBondContact OD1-N 2.92Å; N150-N152 PolarHBondContact OD1-OD1 3.42Å
153Q90.3Very high96.3Very high0 Ų044.1 Ų44.10%025%0.248CC..SBendtrans-98.813.4-177.5-63.2-172.1-83.600114T151 T155 N156 S170 F173 T174 D176 K178T151-Q153 WeakPolarHBondContact O-CG 3.29Å; T151-Q153 PolarHBondContact O-N 3.48Å; T151-Q153 PolarHBondContact OG1-N 2.96Å; Q153-T155 PolarHBondContact O-N 3.44Å; Q153-N156 PolarHBondContact OE1-OD1 2.91Å; Q153-S170 PolarHBondContact OE1-O 3.12Å; Q153-S170 PolarHBondContact OE1-OG 3.07Å; Q153-F173 WeakPolarHBondContact O-CB 3.18Å; Q153-T174 HydrophobicContact CB-CG2 4.22Å; Q153-T174 HydrophobicContact CG-CG2 4.44Å; Q153-T174 WeakPolarHBondContact CG-OG1 3.46Å; Q153-T174 PolarHBondContact NE2-OG1 2.84Å; Q153-D176 PolarHBondContact NE2-O 2.92Å; Q153-K178 HydrophobicContact CG-CD 3.95Å
154M91.4Very high96.3Very high135 Ų13545.6 Ų45.667%0.66526%0.257SS*.SBendtrans63.1-56.7-170.4-170.8-179.3-67.400113.6T134 F173T134-M154 VanDerWaalsContact CG2-O 3.23Å; T134-M154 WeakPolarHBondContact CG2-O 3.25Å; M154-F173 HydrophobicContact CB-CB 4.39Å; M154-F173 HydrophobicContact CB-CD1 4.4Å; M154-F173 HydrophobicContact CE-CD1 4.45Å; M154-F173 HydrophobicContact CE-CE1 4.31Å; M154-F173 HydrophobicContact SD-CD1 4.05Å; M154-F173 HydrophobicContact SD-CE1 4.15Å; M154-F173 HydrophobicContact SD-CG 4.35Å
155T94.7Very high96.3Very high68 Ų6839.6 Ų39.642%0.41723%0.23SC..SBendtrans-141132170.557.20000109.8T132 Q153 G172 F173T132-T155 WeakPolarHBondContact O-CA 3.21Å; Q153-T155 PolarHBondContact O-N 3.44Å; T155-G172 VanDerWaalsContact O-CA 3.23Å; T155-G172 WeakPolarHBondContact O-CA 3.4Å; T155-F173 PolarHBondContact O-N 3.05Å; T155-F173 VanDerWaalsContact O-N 3.12Å
156N96.6Very high96.2Very high4 Ų441.3 Ų41.32%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-80.5137.1171-64.4-26.9000109.9V116 S131 T132 T134 T151 Q153 S170V116-N156 HydrophobicContact CG2-CB 4.34Å; S131-N156 WeakPolarHBondContact O-CB 3.48Å; S131-N156 PolarHBondContact O-ND2 2.87Å; T132-N156 PolarHBondContact O-N 3.32Å; T132-N156 VanDerWaalsContact O-N 3.14Å; T134-N156 VanDerWaalsContact CA-ND2 3.32Å; T134-N156 WeakPolarHBondContact CA-ND2 3.49Å; T151-N156 PolarHBondContact OG1-OD1 3.02Å; Q153-N156 PolarHBondContact OE1-OD1 2.91Å; N156-S170 PolarHBondContact OD1-OG 2.98Å; N156-S170 VanDerWaalsContact OD1-OG 3.11Å
157S96.4Very high96.2Very high45 Ų4539.2 Ų39.232%0.31522%0.22SC..EExtended strand (participates in β ladder)trans-102.4-32.3174.3-60.30000111.9C171 G172S157-C171 PolarHBondContact N-O 2.99Å; S157-G172 WeakPolarHBondContact OG-CA 3.4Å
158Y97.7Very high96.2Very high16 Ų1638.2 Ų38.26%0.06321%0.212CC..EExtended strand (participates in β ladder)trans-159.4151.4179.7-164.7-111.8000111.2N117 A160 S170 C171 A208 F209 R301N117-Y158 WeakPolarHBondContact ND2-CE2 3.48Å; Y158-A160 HydrophobicContact CE1-CB 4.32Å; Y158-S170 WeakPolarHBondContact O-CA 3.26Å; Y158-C171 PolarHBondContact N-O 2.79Å; Y158-C171 PolarHBondContact O-N 3.17Å; Y158-A208 HydrophobicContact CD1-CB 4.25Å; Y158-A208 HydrophobicContact CG-CB 4.3Å; Y158-F209 HydrophobicContact CD1-CD1 4.22Å; Y158-F209 HydrophobicContact CD1-CE1 4.09Å; Y158-F209 WeakPolarHBondContact CE1-O 3.41Å; Y158-R301 PolarHBondContact OH-NH2 3.19Å
159A98.3Very high96.2Very high0 Ų034.6 Ų34.60%019%0.186CC..EExtended strand (participates in β ladder)trans-146.8154.8174.900000110.2N117 M128 A130 A169N117-A159 VanDerWaalsContact CB-O 3.26Å; N117-A159 WeakPolarHBondContact CB-O 3.44Å; N117-A159 PolarHBondContact ND2-O 2.84Å; M128-A159 HydrophobicContact CE-CB 4.12Å; M128-A159 HydrophobicContact SD-CB 4.39Å; A130-A159 HydrophobicContact CB-CB 3.36Å; A159-A169 CarbonylContact C-O 3.56Å; A159-A169 WeakPolarHBondContact CA-O 3.48Å; A159-A169 VanDerWaalsContact CB-O 3.3Å; A159-A169 WeakPolarHBondContact CB-O 3.29Å
160A98.3Very high96.2Very high11 Ų1134 Ų349%0.09118%0.183CC..EExtended strand (participates in β ladder)trans-154.7155.5179.400000112Y158 V168 A169 F209 F211Y158-A160 HydrophobicContact CE1-CB 4.32Å; A160-V168 WeakPolarHBondContact O-CA 3.34Å; A160-A169 PolarHBondContact N-O 2.94Å; A160-A169 PolarHBondContact O-N 2.62Å; A160-F209 HydrophobicContact CB-CE2 3.9Å; A160-F209 HydrophobicContact CB-CZ 3.95Å; A160-F211 HydrophobicContact CB-CE2 4.32Å
161V98.4Very high96.3Very high23 Ų2329.8 Ų29.814%0.13916%0.161CC..EExtended strand (participates in β ladder)trans-90.9136.3167.4-175.50000108.2A121 F126 M128 F167 V168A121-V161 HydrophobicContact CB-CG1 4.17Å; F126-V161 HydrophobicContact CE2-CG1 4.04Å; F126-V161 HydrophobicContact CE2-CG2 4.18Å; F126-V161 HydrophobicContact CZ-CG1 3.92Å; M128-V161 HydrophobicContact CB-CG2 3.6Å; M128-V161 HydrophobicContact CE-CG2 4.24Å; M128-V161 HydrophobicContact CG-CG2 4.36Å; M128-V161 HydrophobicContact SD-CG2 3.96Å; V161-F167 WeakPolarHBondContact CA-O 3.18Å; V161-V168 HydrophobicContact CG2-CG1 4.23Å
162S97.5Very high96.3Very high1 Ų129.8 Ų29.81%0.00716%0.161CC..  trans-65.5147.6176.362.10000111.9C164 G165 R166 F167S162-C164 PolarHBondContact O-N 2.9Å; S162-C164 PolarHBondContact OG-SG 3.25Å; S162-G165 WeakPolarHBondContact O-CA 3.3Å; S162-G165 PolarHBondContact O-N 2.9Å; S162-R166 PolarHBondContact OG-N 2.79Å; S162-F167 PolarHBondContact N-O 2.85Å; S162-F167 PolarHBondContact OG-N 2.83Å; S162-F167 PolarHBondContact OG-O 2.9Å
163P95.4Very high96.4Very high41 Ų4130.1 Ų30.127%0.26616%0.157SC..THydrogen-bonded Turntrans-57-29.5174.3-30.538.3000114.9E122 G165 F211 S212 N213E122-P163 VanDerWaalsContact CB-O 3.3Å; E122-P163 WeakPolarHBondContact CB-O 3.39Å; E122-P163 VanDerWaalsContact CG-O 3.31Å; E122-P163 WeakPolarHBondContact CG-O 3.22Å; P163-G165 PolarHBondContact O-N 3.33Å; P163-F211 HydrophobicContact CG-CB 3.98Å; P163-S212 WeakPolarHBondContact CG-O 3.27Å; P163-N213 WeakPolarHBondContact CB-O 3.36Å
164C95.1Very high96.7Very high38 Ų3831.5 Ų31.526%0.25717%0.165SC..THydrogen-bonded Turntrans-71.9-5172.767.70000113.9S162 R166 S215S162-C164 PolarHBondContact O-N 2.9Å; S162-C164 PolarHBondContact OG-SG 3.25Å; C164-R166 PolarHBondContact O-N 2.84Å; C164-S215 WeakPolarHBondContact CB-OG 3.28Å; C164-S215 PolarHBondContact N-OG 2.97Å; C164-S215 PolarHBondContact SG-OG 2.88Å; C164-S215 VanDerWaalsContact SG-OG 3.38Å
165G95.9Very high96.9Very high3 Ų327.7 Ų27.73%0.03115%0.151CC..SBendtrans65.321.2178.500000114.6T123 F126 S162 P163T123-G165 PolarHBondContact OG1-O 2.98Å; F126-G165 VanDerWaalsContact CE1-O 3.32Å; F126-G165 WeakPolarHBondContact CE1-O 3.31Å; S162-G165 WeakPolarHBondContact O-CA 3.3Å; S162-G165 PolarHBondContact O-N 2.9Å; P163-G165 PolarHBondContact O-N 3.33Å
166R95.6Very high97Very high111 Ų11125.4 Ų25.442%0.41914%0.136SC..SBendtrans-106.3-33-179.8-61.3-172.7-60.2177.50.8113.6S162 C164 V182S162-R166 PolarHBondContact OG-N 2.79Å; C164-R166 PolarHBondContact O-N 2.84Å; R166-V182 PolarHBondContact O-N 3.31Å
167F98.1Very high97.1Very high8 Ų825.3 Ų25.34%0.03514%0.135CC..EExtended strand (participates in β ladder)trans-112.1149.7-172.5-53.4-71.6000112.4V161 S162 V179 W180 E181 A196 Y236V161-F167 WeakPolarHBondContact CA-O 3.18Å; S162-F167 PolarHBondContact N-O 2.85Å; S162-F167 PolarHBondContact OG-N 2.83Å; S162-F167 PolarHBondContact OG-O 2.9Å; F167-V179 HydrophobicContact CB-CG1 3.83Å; F167-V179 HydrophobicContact CD1-CG1 4.14Å; F167-V179 HydrophobicContact CG-CG1 4.12Å; F167-W180 CarbonylContact C-O 3.56Å; F167-W180 WeakPolarHBondContact CA-O 3.37Å; F167-E181 HydrophobicContact CD1-CB 3.98Å; F167-E181 HydrophobicContact CD1-CG 4.33Å; F167-E181 HydrophobicContact CE1-CB 3.91Å; F167-E181 HydrophobicContact CE1-CG 4.04Å; F167-A196 HydrophobicContact CD1-CB 4.25Å; F167-A196 HydrophobicContact CE1-CB 4.1Å; F167-Y236 AromaticContact CE1-CE1 3.86Å; F167-Y236 HydrophobicContact CE1-CE1 3.86Å; F167-Y236 HydrophobicContact CE1-CE2 4.41Å; F167-Y236 AromaticContact CE1-CZ 3.72Å; F167-Y236 AromaticContact CZ-CE1 3.62Å; F167-Y236 HydrophobicContact CZ-CE1 3.62Å; F167-Y236 AromaticContact CZ-CZ 3.87Å
168V98.6Very high97.2Very high0 Ų024.2 Ų24.20%013%0.125CC..EExtended strand (participates in β ladder)trans-117.5142.6161.6-62.90000108.3F126 M128 I138 I149 A160 V161 W180 V182F126-V168 HydrophobicContact CE2-CG1 3.61Å; F126-V168 HydrophobicContact CZ-CG1 4.05Å; M128-V168 HydrophobicContact CB-CG1 4.3Å; M128-V168 HydrophobicContact CG-CG1 4.08Å; M128-V168 HydrophobicContact SD-CB 4.01Å; M128-V168 HydrophobicContact SD-CG1 3.94Å; I138-V168 HydrophobicContact CD1-CG1 3.88Å; I138-V168 HydrophobicContact CD1-CG2 4.31Å; I149-V168 HydrophobicContact CD1-CG2 3.64Å; A160-V168 WeakPolarHBondContact O-CA 3.34Å; V161-V168 HydrophobicContact CG2-CG1 4.23Å; V168-W180 HydrophobicContact CG2-CB 3.93Å; V168-W180 HydrophobicContact CG2-CE3 4.34Å; V168-W180 PolarHBondContact N-O 2.79Å; V168-W180 PolarHBondContact O-N 2.58Å; V168-V182 HydrophobicContact CG1-CG2 3.96Å; V168-V182 HydrophobicContact CG2-CG2 4.2Å
169A98.5Very high97.2Very high0 Ų023.5 Ų23.50%012%0.122CC..EExtended strand (participates in β ladder)trans-135.3155.2-179.600000111.1A159 A160 V177 K178 V179 F209 F211 M218A159-A169 CarbonylContact C-O 3.56Å; A159-A169 WeakPolarHBondContact CA-O 3.48Å; A159-A169 VanDerWaalsContact CB-O 3.3Å; A159-A169 WeakPolarHBondContact CB-O 3.29Å; A160-A169 PolarHBondContact N-O 2.94Å; A160-A169 PolarHBondContact O-N 2.62Å; A169-V177 HydrophobicContact CB-CG1 4.29Å; A169-K178 CarbonylContact C-O 3.55Å; A169-K178 WeakPolarHBondContact CA-O 3.37Å; A169-V179 HydrophobicContact CB-CB 4.44Å; A169-V179 HydrophobicContact CB-CG1 4.38Å; A169-V179 HydrophobicContact CB-CG2 3.9Å; A169-F209 VanDerWaalsContact C-CZ 3.48Å; A169-F209 HydrophobicContact CB-CE1 4.27Å; A169-F209 HydrophobicContact CB-CE2 3.51Å; A169-F209 HydrophobicContact CB-CZ 3.37Å; A169-F209 WeakPolarHBondContact O-CZ 3.44Å; A169-F211 HydrophobicContact CB-CE2 4.31Å; A169-F211 HydrophobicContact CB-CZ 3.83Å; A169-M218 HydrophobicContact CB-CE 4.37Å
170S98.4Very high97.2Very high0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-145.5148.6177.9177.80000111.9Q153 N156 Y158 V177 K178Q153-S170 PolarHBondContact OE1-O 3.12Å; Q153-S170 PolarHBondContact OE1-OG 3.07Å; N156-S170 PolarHBondContact OD1-OG 2.98Å; N156-S170 VanDerWaalsContact OD1-OG 3.11Å; Y158-S170 WeakPolarHBondContact O-CA 3.26Å; S170-V177 WeakPolarHBondContact O-CA 3.33Å; S170-K178 PolarHBondContact N-O 3.2Å; S170-K178 PolarHBondContact O-N 3.03Å
171C97.8Very high97.2Very high0 Ų025.1 Ų25.10%013%0.127CC..EExtended strand (participates in β ladder)trans-137.9162.9175.677.30000110S157 Y158 V177 V206 F209S157-C171 PolarHBondContact N-O 2.99Å; Y158-C171 PolarHBondContact N-O 2.79Å; Y158-C171 PolarHBondContact O-N 3.17Å; C171-V177 HydrophobicContact CB-CB 4.47Å; C171-V177 HydrophobicContact CB-CG1 4.42Å; C171-V177 HydrophobicContact CB-CG2 3.82Å; C171-V206 HydrophobicContact CB-CB 3.89Å; C171-V206 HydrophobicContact CB-CG1 3.77Å; C171-F209 HydrophobicContact CB-CD1 3.76Å; C171-F209 HydrophobicContact CB-CE1 4.1Å
172G96.1Very high97.2Very high1 Ų124.4 Ų24.41%0.0112%0.123CC..EExtended strand (participates in β ladder)trans-177.7-140-172.800000114T155 S157 T174 G205 V206T155-G172 VanDerWaalsContact O-CA 3.23Å; T155-G172 WeakPolarHBondContact O-CA 3.4Å; S157-G172 WeakPolarHBondContact OG-CA 3.4Å; G172-T174 PolarHBondContact O-N 3.44Å; G172-G205 CarbonylContact O-C 3.56Å; G172-G205 VanDerWaalsContact O-CA 3.29Å; G172-G205 WeakPolarHBondContact O-CA 3.22Å; G172-V206 PolarHBondContact O-N 3.26Å
173F95.7Very high97.2Very high128 Ų12825.3 Ų25.356%0.56113%0.129SC*.SBendtrans-62.7-30.6179.5-177.4-95.6000113.1Q153 M154 T155 G205Q153-F173 WeakPolarHBondContact O-CB 3.18Å; M154-F173 HydrophobicContact CB-CB 4.39Å; M154-F173 HydrophobicContact CB-CD1 4.4Å; M154-F173 HydrophobicContact CE-CD1 4.45Å; M154-F173 HydrophobicContact CE-CE1 4.31Å; M154-F173 HydrophobicContact SD-CD1 4.05Å; M154-F173 HydrophobicContact SD-CE1 4.15Å; M154-F173 HydrophobicContact SD-CG 4.35Å; T155-F173 PolarHBondContact O-N 3.05Å; T155-F173 VanDerWaalsContact O-N 3.12Å; F173-G205 VanDerWaalsContact O-CA 3.27Å; F173-G205 WeakPolarHBondContact O-CA 3.07Å
174T95.8Very high97.2Very high28 Ų2825.5 Ų25.517%0.17213%0.126CC..SBendtrans-76.8153.4178.465.70000111.7Q153 G172 D176Q153-T174 HydrophobicContact CB-CG2 4.22Å; Q153-T174 HydrophobicContact CG-CG2 4.44Å; Q153-T174 WeakPolarHBondContact CG-OG1 3.46Å; Q153-T174 PolarHBondContact NE2-OG1 2.84Å; G172-T174 PolarHBondContact O-N 3.44Å; T174-D176 WeakPolarHBondContact CB-OD1 3.42Å; T174-D176 PolarHBondContact O-N 2.91Å; T174-D176 PolarHBondContact OG1-OD1 2.86Å
175P96.8Very high97.1Very high56 Ų5624.7 Ų24.736%0.36412%0.124SC..SBendtrans-76.23-176.731-36.2000114.5H202 A204P175-H202 HydrophobicContact CB-CB 4.21Å; P175-H202 VanDerWaalsContact CB-O 3.26Å; P175-H202 WeakPolarHBondContact CB-O 3.47Å; P175-H202 WeakPolarHBondContact O-CB 3.15Å; P175-A204 WeakPolarHBondContact CA-O 3.38Å
176D96.1Very high96.9Very high20 Ų2035.3 Ų35.311%0.10717%0.169CC..EExtended strand (participates in β ladder)trans-112.6146.4-177.162.9-34.2000112.1Q153 T174 K178 L199Q153-D176 PolarHBondContact NE2-O 2.92Å; T174-D176 WeakPolarHBondContact CB-OD1 3.42Å; T174-D176 PolarHBondContact O-N 2.91Å; T174-D176 PolarHBondContact OG1-OD1 2.86Å; D176-K178 IonicContact OD1-NZ 2.67Å; D176-K178 WeakPolarHBondContact OD2-CE 3.38Å; D176-K178 WeakPolarHBondContact OD2-CG 3.37Å; D176-K178 IonicContact OD2-NZ 3.5Å; D176-K178 PolarHBondContact OD2-NZ 2.8Å; D176-L199 WeakPolarHBondContact CA-O 3.5Å
177V98.3Very high96.6Very high1 Ų133.4 Ų33.41%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-94.8123.7162.6-176.80000107.6A169 S170 C171 D198 L199 V206 F209 M218 T220A169-V177 HydrophobicContact CB-CG1 4.29Å; S170-V177 WeakPolarHBondContact O-CA 3.33Å; C171-V177 HydrophobicContact CB-CB 4.47Å; C171-V177 HydrophobicContact CB-CG1 4.42Å; C171-V177 HydrophobicContact CB-CG2 3.82Å; V177-D198 CarbonylContact O-C 3.48Å; V177-D198 VanDerWaalsContact O-CA 3.27Å; V177-D198 WeakPolarHBondContact O-CA 3.17Å; V177-L199 HydrophobicContact CB-CB 4.04Å; V177-L199 HydrophobicContact CB-CD1 4.03Å; V177-L199 HydrophobicContact CB-CG 4.14Å; V177-L199 HydrophobicContact CG1-CD1 4.42Å; V177-L199 HydrophobicContact CG2-CD1 4.42Å; V177-L199 PolarHBondContact N-O 3.34Å; V177-L199 PolarHBondContact O-N 3.4Å; V177-V206 HydrophobicContact CG2-CB 4.44Å; V177-V206 HydrophobicContact CG2-CG1 3.91Å; V177-V206 HydrophobicContact CG2-CG2 4.38Å; V177-F209 HydrophobicContact CG1-CD1 3.74Å; V177-F209 HydrophobicContact CG1-CD2 4.34Å; V177-F209 HydrophobicContact CG1-CE1 4Å; V177-F209 HydrophobicContact CG1-CG 3.94Å; V177-F209 HydrophobicContact CG1-CZ 4.42Å; V177-F209 HydrophobicContact CG2-CB 4.29Å; V177-F209 HydrophobicContact CG2-CD1 4.28Å; V177-F209 HydrophobicContact CG2-CG 4.45Å; V177-M218 HydrophobicContact CG1-CE 4.21Å; V177-T220 HydrophobicContact CG2-CG2 3.55Å
178K98.1Very high96.3Very high23 Ų2334.8 Ų34.810%0.120%0.201CC..EExtended strand (participates in β ladder)trans-98.1136.5-180-62.8-179.5-172.8-60.50109.3T151 Q153 A169 S170 D176 W180 R195T151-K178 WeakPolarHBondContact O-CD 3.23Å; T151-K178 WeakPolarHBondContact O-CE 3.31Å; Q153-K178 HydrophobicContact CG-CD 3.95Å; A169-K178 CarbonylContact C-O 3.55Å; A169-K178 WeakPolarHBondContact CA-O 3.37Å; S170-K178 PolarHBondContact N-O 3.2Å; S170-K178 PolarHBondContact O-N 3.03Å; D176-K178 IonicContact OD1-NZ 2.67Å; D176-K178 WeakPolarHBondContact OD2-CE 3.38Å; D176-K178 WeakPolarHBondContact OD2-CG 3.37Å; D176-K178 IonicContact OD2-NZ 3.5Å; D176-K178 PolarHBondContact OD2-NZ 2.8Å; K178-W180 HydrophobicContact CB-CE3 4.5Å; K178-W180 HydrophobicContact CB-CH2 3.24Å; K178-W180 HydrophobicContact CB-CZ2 3.67Å; K178-W180 HydrophobicContact CB-CZ3 3.72Å; K178-W180 HydrophobicContact CD-CH2 4.02Å; K178-W180 HydrophobicContact CD-CZ2 4.04Å; K178-W180 HydrophobicContact CG-CH2 4.27Å; K178-W180 WeakPolarHBondContact O-CZ3 3.28Å; K178-R195 VanDerWaalsContact NZ-NH2 3.11Å
179V98.3Very high96.1Very high0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-126135.1-177.2-1710000110.4F167 A169 A196 F197 M218F167-V179 HydrophobicContact CB-CG1 3.83Å; F167-V179 HydrophobicContact CD1-CG1 4.14Å; F167-V179 HydrophobicContact CG-CG1 4.12Å; A169-V179 HydrophobicContact CB-CB 4.44Å; A169-V179 HydrophobicContact CB-CG1 4.38Å; A169-V179 HydrophobicContact CB-CG2 3.9Å; V179-A196 HydrophobicContact CG1-CB 4.48Å; V179-A196 PolarHBondContact O-N 2.88Å; V179-F197 HydrophobicContact CB-CD2 3.97Å; V179-F197 HydrophobicContact CB-CE2 3.85Å; V179-F197 HydrophobicContact CB-CG 4.43Å; V179-F197 HydrophobicContact CB-CZ 4.18Å; V179-F197 WeakPolarHBondContact CB-O 3.14Å; V179-F197 HydrophobicContact CG1-CE1 4.29Å; V179-F197 HydrophobicContact CG1-CE2 4.07Å; V179-F197 HydrophobicContact CG1-CZ 3.91Å; V179-F197 HydrophobicContact CG2-CD2 3.85Å; V179-F197 HydrophobicContact CG2-CE2 3.55Å; V179-F197 HydrophobicContact CG2-CZ 4.24Å; V179-F197 PolarHBondContact N-O 3.44Å; V179-F197 PolarHBondContact O-N 2.73Å; V179-M218 HydrophobicContact CG2-CE 4.31Å; V179-M218 HydrophobicContact CG2-SD 4.33Å
180W98.4Very high96Very high21 Ų2142.7 Ų42.78%0.0824%0.237CC..EExtended strand (participates in β ladder)trans-124.7141.1178-57.7-99000111I136 I149 T151 F167 V168 K178 V193 A194I136-W180 HydrophobicContact CD1-CZ3 4.07Å; I149-W180 HydrophobicContact CD1-CB 4.48Å; I149-W180 HydrophobicContact CD1-CG 4.4Å; I149-W180 HydrophobicContact CG2-CD2 3.93Å; I149-W180 HydrophobicContact CG2-CE3 4.48Å; I149-W180 HydrophobicContact CG2-CG 4.31Å; I149-W180 HydrophobicContact CG2-CH2 4.36Å; I149-W180 HydrophobicContact CG2-CZ2 3.79Å; T151-W180 HydrophobicContact CG2-CH2 3.61Å; T151-W180 HydrophobicContact CG2-CZ2 4.31Å; T151-W180 HydrophobicContact CG2-CZ3 4.26Å; F167-W180 CarbonylContact C-O 3.56Å; F167-W180 WeakPolarHBondContact CA-O 3.37Å; V168-W180 HydrophobicContact CG2-CB 3.93Å; V168-W180 HydrophobicContact CG2-CE3 4.34Å; V168-W180 PolarHBondContact N-O 2.79Å; V168-W180 PolarHBondContact O-N 2.58Å; K178-W180 HydrophobicContact CB-CE3 4.5Å; K178-W180 HydrophobicContact CB-CH2 3.24Å; K178-W180 HydrophobicContact CB-CZ2 3.67Å; K178-W180 HydrophobicContact CB-CZ3 3.72Å; K178-W180 HydrophobicContact CD-CH2 4.02Å; K178-W180 HydrophobicContact CD-CZ2 4.04Å; K178-W180 HydrophobicContact CG-CH2 4.27Å; K178-W180 WeakPolarHBondContact O-CZ3 3.28Å; W180-V193 HydrophobicContact CB-CG1 3.63Å; W180-V193 HydrophobicContact CG-CG1 4.22Å; W180-A194 CarbonylContact C-O 3.56Å; W180-A194 WeakPolarHBondContact CA-O 3.4Å; W180-A194 WeakPolarHBondContact CB-O 3.44Å
181E97.8Very high96Very high24 Ų2451.2 Ų51.211%0.11227%0.269CS..EExtended strand (participates in β ladder)trans-87.5128.5170-170-176.8-167.300109F167 V193 A194 Y236 K237F167-E181 HydrophobicContact CD1-CB 3.98Å; F167-E181 HydrophobicContact CD1-CG 4.33Å; F167-E181 HydrophobicContact CE1-CB 3.91Å; F167-E181 HydrophobicContact CE1-CG 4.04Å; E181-V193 WeakPolarHBondContact O-CA 3.22Å; E181-A194 PolarHBondContact N-O 2.86Å; E181-A194 PolarHBondContact O-N 2.92Å; E181-Y236 PolarHBondContact OE1-OH 2.84Å; E181-Y236 VanDerWaalsContact OE1-OH 3.04Å; E181-Y236 WeakPolarHBondContact OE2-CE2 3.41Å; E181-Y236 PolarHBondContact OE2-OH 2.82Å; E181-K237 IonicContact OE1-NZ 2.82Å; E181-K237 PolarHBondContact OE1-NZ 2.93Å; E181-K237 VanDerWaalsContact OE1-NZ 3.08Å; E181-K237 WeakPolarHBondContact OE2-CE 3.24Å; E181-K237 IonicContact OE2-NZ 3.08Å; E181-K237 PolarHBondContact OE2-NZ 2.91Å
182V98.3Very high95.9Very high8 Ų855.3 Ų55.35%0.04829%0.288CS..EExtended strand (participates in β ladder)trans-91.5104.7170.2-171.70000107.7F126 I138 R166 V168 F184 F190 V193F126-V182 HydrophobicContact CD1-CB 4.17Å; F126-V182 HydrophobicContact CD1-CG1 3.9Å; F126-V182 HydrophobicContact CD2-CG2 4.47Å; F126-V182 HydrophobicContact CE1-CB 3.74Å; F126-V182 HydrophobicContact CE1-CG1 4.01Å; F126-V182 HydrophobicContact CE1-CG2 3.99Å; F126-V182 HydrophobicContact CE2-CG2 3.95Å; F126-V182 HydrophobicContact CG-CG1 4.22Å; F126-V182 HydrophobicContact CZ-CB 3.97Å; F126-V182 HydrophobicContact CZ-CG1 4.46Å; F126-V182 HydrophobicContact CZ-CG2 3.67Å; I138-V182 HydrophobicContact CD1-CG2 4.39Å; I138-V182 HydrophobicContact CG2-CG1 4.11Å; R166-V182 PolarHBondContact O-N 3.31Å; V168-V182 HydrophobicContact CG1-CG2 3.96Å; V168-V182 HydrophobicContact CG2-CG2 4.2Å; V182-F184 HydrophobicContact CB-CE2 4.33Å; V182-F184 HydrophobicContact CG1-CD2 4.37Å; V182-F184 HydrophobicContact CG1-CE2 3.53Å; V182-F184 HydrophobicContact CG1-CZ 4.07Å; V182-F190 HydrophobicContact CG1-CD2 4.27Å; V182-F190 HydrophobicContact CG1-CE2 4.02Å; V182-V193 HydrophobicContact CG1-CG2 4.32Å; V182-V193 HydrophobicContact CG2-CG2 4.36Å
183C97.4Very high96Very high21 Ų2156.9 Ų56.914%0.14230%0.298CS..EExtended strand (participates in β ladder)trans-90.9128.6-170.7-66.60000111.2R191 E192C183-R191 HydrophobicContact CB-CB 4.45Å; C183-R191 WeakPolarHBondContact O-CB 3.4Å; C183-R191 PolarHBondContact O-N 2.69Å; C183-E192 HydrophobicContact CB-CG 4.12Å; C183-E192 WeakPolarHBondContact CB-O 3.22Å; C183-E192 PolarHBondContact N-O 3.5Å; C183-E192 PolarHBondContact O-N 3.01Å
184F96.8Very high96.1Very high44 Ų4452.4 Ų52.419%0.19328%0.284CS..EExtended strand (participates in β ladder)trans-116.8145.5171.1-68.2-95.4000110K125 F126 V182 G188 E189 F190K125-F184 HydrophobicContact CB-CD1 4.41Å; K125-F184 HydrophobicContact CB-CD2 4.32Å; K125-F184 HydrophobicContact CB-CE1 3.93Å; K125-F184 HydrophobicContact CB-CE2 3.83Å; K125-F184 HydrophobicContact CB-CZ 3.63Å; K125-F184 HydrophobicContact CD-CB 4.29Å; K125-F184 HydrophobicContact CD-CD1 4.1Å; K125-F184 HydrophobicContact CD-CD2 3.89Å; K125-F184 HydrophobicContact CD-CE1 4.44Å; K125-F184 HydrophobicContact CD-CE2 4.25Å; K125-F184 HydrophobicContact CD-CG 3.82Å; F126-F184 HydrophobicContact CB-CZ 4.13Å; F126-F184 AromaticContact CD1-CE2 3.68Å; F126-F184 HydrophobicContact CD1-CE2 3.68Å; F126-F184 AromaticContact CD1-CZ 4Å; F126-F184 HydrophobicContact CD1-CZ 4Å; F126-F184 HydrophobicContact CE1-CE2 4.32Å; V182-F184 HydrophobicContact CB-CE2 4.33Å; V182-F184 HydrophobicContact CG1-CD2 4.37Å; V182-F184 HydrophobicContact CG1-CE2 3.53Å; V182-F184 HydrophobicContact CG1-CZ 4.07Å; F184-G188 WeakPolarHBondContact CD1-O 3.43Å; F184-E189 CarbonylContact C-O 3.5Å; F184-E189 VanDerWaalsContact CA-O 3.22Å; F184-E189 WeakPolarHBondContact CA-O 3.32Å; F184-E189 WeakPolarHBondContact CD1-O 3.49Å; F184-F190 HydrophobicContact CD1-CB 4.23Å; F184-F190 HydrophobicContact CE1-CB 3.91Å; F184-F190 HydrophobicContact CE1-CD2 4.3Å; F184-F190 HydrophobicContact CZ-CD2 4.24Å
185G93.6Very high96.1Very high22 Ų2257.4 Ų57.423%0.22730%0.3CS..  trans-72.8177.2172.500000112.8G187 G188 E189G185-G187 PolarHBondContact O-N 2.88Å; G185-G188 PolarHBondContact O-N 2.82Å; G185-G188 VanDerWaalsContact O-N 3.1Å; G185-E189 WeakPolarHBondContact CA-OE1 3.32Å; G185-E189 PolarHBondContact N-O 3.31Å
186K91.1Very high96.1Very high226 Ų22655.5 Ų55.598%0.98329%0.288SS*.THydrogen-bonded Turntrans-65.1-27.8-178.7-69.5-175.7179.8179.70112.5G188K186-G188 VanDerWaalsContact C-N 3.26Å; K186-G188 PolarHBondContact O-N 2.85Å
187G89.1Confident96.1Very high70 Ų7055.1 Ų55.172%0.72229%0.286SS*.THydrogen-bonded Turntrans-81.7-0.8176.200000113.9G185 E189G185-G187 PolarHBondContact O-N 2.88Å; G187-E189 VanDerWaalsContact C-N 3.32Å; G187-E189 WeakPolarHBondContact CA-OE2 3.4Å; G187-E189 PolarHBondContact N-OE2 3.03Å
188G90.9Very high96Very high38 Ų3856 Ų5639%0.39229%0.29SS..SBendtrans84.72.8-178.100000114.4F184 G185 K186F184-G188 WeakPolarHBondContact CD1-O 3.43Å; G185-G188 PolarHBondContact O-N 2.82Å; G185-G188 VanDerWaalsContact O-N 3.1Å; K186-G188 VanDerWaalsContact C-N 3.26Å; K186-G188 PolarHBondContact O-N 2.85Å
189E94.5Very high96Very high109 Ų10955 Ų5551%0.50929%0.286SS..  trans-69.1141.1172.371.5-72.9177.500111.5F184 G185 G187F184-E189 CarbonylContact C-O 3.5Å; F184-E189 VanDerWaalsContact CA-O 3.22Å; F184-E189 WeakPolarHBondContact CA-O 3.32Å; F184-E189 WeakPolarHBondContact CD1-O 3.49Å; G185-E189 WeakPolarHBondContact CA-OE1 3.32Å; G185-E189 PolarHBondContact N-O 3.31Å; G187-E189 VanDerWaalsContact C-N 3.32Å; G187-E189 WeakPolarHBondContact CA-OE2 3.4Å; G187-E189 PolarHBondContact N-OE2 3.03Å
190F97.4Very high95.9Very high57 Ų5760.9 Ų60.925%0.2531%0.312CS..EExtended strand (participates in β ladder)trans-65.1135172.3173-100.6000109.8L146 A147 V182 F184 V193L146-F190 HydrophobicContact CB-CD1 4.04Å; L146-F190 HydrophobicContact CB-CD2 4.17Å; L146-F190 HydrophobicContact CB-CE1 4.24Å; L146-F190 HydrophobicContact CB-CE2 4.37Å; L146-F190 HydrophobicContact CB-CG 4.01Å; L146-F190 HydrophobicContact CB-CZ 4.41Å; L146-F190 HydrophobicContact CD1-CB 4.12Å; L146-F190 HydrophobicContact CD1-CD2 4.14Å; L146-F190 HydrophobicContact CD1-CG 4.14Å; L146-F190 HydrophobicContact CD2-CB 3.98Å; L146-F190 HydrophobicContact CD2-CD1 4.39Å; L146-F190 HydrophobicContact CD2-CG 4.19Å; L146-F190 HydrophobicContact CG-CB 4.49Å; L146-F190 HydrophobicContact CG-CG 4.35Å; L146-F190 WeakPolarHBondContact O-CE1 3.37Å; A147-F190 HydrophobicContact CB-CE1 4.26Å; A147-F190 HydrophobicContact CB-CE2 4.43Å; A147-F190 HydrophobicContact CB-CZ 3.67Å; V182-F190 HydrophobicContact CG1-CD2 4.27Å; V182-F190 HydrophobicContact CG1-CE2 4.02Å; F184-F190 HydrophobicContact CD1-CB 4.23Å; F184-F190 HydrophobicContact CE1-CB 3.91Å; F184-F190 HydrophobicContact CE1-CD2 4.3Å; F184-F190 HydrophobicContact CZ-CD2 4.24Å; F190-V193 HydrophobicContact CE2-CG2 3.92Å; F190-V193 HydrophobicContact CZ-CG2 4.01Å
191R97.2Very high95.6Very high178 Ų17862 Ų6267%0.67233%0.33SS*.EExtended strand (participates in β ladder)trans-108.4-63.6178.3178.4-178.2165.9150.96.6111.3C183C183-R191 HydrophobicContact CB-CB 4.45Å; C183-R191 WeakPolarHBondContact O-CB 3.4Å; C183-R191 PolarHBondContact O-N 2.69Å
192E97.4Very high95.6Very high87 Ų8761.6 Ų61.641%0.40733%0.328SS..EExtended strand (participates in β ladder)trans-164.3170.7-175.667.1-165.6133.500110.9C183C183-E192 HydrophobicContact CB-CG 4.12Å; C183-E192 WeakPolarHBondContact CB-O 3.22Å; C183-E192 PolarHBondContact N-O 3.5Å; C183-E192 PolarHBondContact O-N 3.01Å
193V98.1Very high95.6Very high34 Ų3466.3 Ų66.321%0.20636%0.361CS..EExtended strand (participates in β ladder)trans-113.3120.6164.4179.90000108.2I138 A147 I149 W180 E181 V182 F190I138-V193 HydrophobicContact CG1-CG2 4.15Å; A147-V193 HydrophobicContact CB-CG2 3.78Å; I149-V193 HydrophobicContact CD1-CG1 3.66Å; I149-V193 HydrophobicContact CG1-CB 4.45Å; I149-V193 HydrophobicContact CG1-CG1 3.92Å; W180-V193 HydrophobicContact CB-CG1 3.63Å; W180-V193 HydrophobicContact CG-CG1 4.22Å; E181-V193 WeakPolarHBondContact O-CA 3.22Å; V182-V193 HydrophobicContact CG1-CG2 4.32Å; V182-V193 HydrophobicContact CG2-CG2 4.36Å; F190-V193 HydrophobicContact CE2-CG2 3.92Å; F190-V193 HydrophobicContact CZ-CG2 4.01Å
194A96.9Very high95.6Very high33 Ų3366.7 Ų66.727%0.27337%0.366SS..EExtended strand (participates in β ladder)trans-113141.8-177.900000110.6W180 E181 A196W180-A194 CarbonylContact C-O 3.56Å; W180-A194 WeakPolarHBondContact CA-O 3.4Å; W180-A194 WeakPolarHBondContact CB-O 3.44Å; E181-A194 PolarHBondContact N-O 2.86Å; E181-A194 PolarHBondContact O-N 2.92Å; A194-A196 PolarHBondContact O-N 2.91Å
195R95.8Very high95.6Very high134 Ų13465.3 Ų65.351%0.50636%0.364SS..EExtended strand (participates in β ladder)trans-64.9127.3171.4-168.4176.5-170.11633.5108.8K178 D198K178-R195 VanDerWaalsContact NZ-NH2 3.11Å; R195-D198 IonicContact CZ-OD1 2.7Å; R195-D198 IonicContact CZ-OD2 2.63Å; R195-D198 VanDerWaalsContact CZ-OD2 3.32Å; R195-D198 IonicContact NE-OD1 3Å; R195-D198 PolarHBondContact NE-OD1 2.8Å; R195-D198 IonicContact NE-OD2 3.22Å; R195-D198 IonicContact NH2-OD1 2.93Å; R195-D198 PolarHBondContact NH2-OD1 2.89Å; R195-D198 IonicContact NH2-OD2 3.57Å; R195-D198 PolarHBondContact NH2-OD2 3.19Å
196A96.3Very high95.8Very high15 Ų1564.3 Ų64.312%0.12435%0.353CS..EExtended strand (participates in β ladder)trans-93.7-68.2-179.400000110.2F167 V179 A194 Y236F167-A196 HydrophobicContact CD1-CB 4.25Å; F167-A196 HydrophobicContact CE1-CB 4.1Å; V179-A196 HydrophobicContact CG1-CB 4.48Å; V179-A196 PolarHBondContact O-N 2.88Å; A194-A196 PolarHBondContact O-N 2.91Å; A196-Y236 HydrophobicContact CB-CD2 3.75Å; A196-Y236 HydrophobicContact CB-CE2 3.98Å; A196-Y236 HydrophobicContact CB-CG 4.17Å
197F96.8Very high96.2Very high12 Ų1254.2 Ų54.25%0.05331%0.31CS..EExtended strand (participates in β ladder)trans-157.7170.2-178.251.9-97000111V179 L199 M218 T232 V234 Y236 P242V179-F197 HydrophobicContact CB-CD2 3.97Å; V179-F197 HydrophobicContact CB-CE2 3.85Å; V179-F197 HydrophobicContact CB-CG 4.43Å; V179-F197 HydrophobicContact CB-CZ 4.18Å; V179-F197 WeakPolarHBondContact CB-O 3.14Å; V179-F197 HydrophobicContact CG1-CE1 4.29Å; V179-F197 HydrophobicContact CG1-CE2 4.07Å; V179-F197 HydrophobicContact CG1-CZ 3.91Å; V179-F197 HydrophobicContact CG2-CD2 3.85Å; V179-F197 HydrophobicContact CG2-CE2 3.55Å; V179-F197 HydrophobicContact CG2-CZ 4.24Å; V179-F197 PolarHBondContact N-O 3.44Å; V179-F197 PolarHBondContact O-N 2.73Å; F197-L199 HydrophobicContact CD2-CD2 4.29Å; F197-L199 HydrophobicContact CE2-CD2 4.25Å; F197-M218 HydrophobicContact CE2-SD 4.19Å; F197-T232 HydrophobicContact CE2-CG2 3.86Å; F197-T232 HydrophobicContact CZ-CG2 4.13Å; F197-V234 HydrophobicContact CD1-CG2 4.49Å; F197-Y236 HydrophobicContact CD1-CD1 4.1Å; F197-Y236 AromaticContact CD1-CG 3.99Å; F197-Y236 HydrophobicContact CD1-CG 3.99Å; F197-Y236 HydrophobicContact CE1-CD1 4.19Å; F197-P242 HydrophobicContact CB-CG 3.97Å; F197-P242 HydrophobicContact CD2-CG 3.34Å; F197-P242 HydrophobicContact CE2-CG 3.9Å; F197-P242 HydrophobicContact CG-CG 3.74Å
198D96.7Very high96.6Very high19 Ų1950.9 Ų50.910%0.10228%0.276CS..EExtended strand (participates in β ladder)trans-124144.8173.7-52.6-38.9000110.4V177 R195 K200V177-D198 CarbonylContact O-C 3.48Å; V177-D198 VanDerWaalsContact O-CA 3.27Å; V177-D198 WeakPolarHBondContact O-CA 3.17Å; R195-D198 IonicContact CZ-OD1 2.7Å; R195-D198 IonicContact CZ-OD2 2.63Å; R195-D198 VanDerWaalsContact CZ-OD2 3.32Å; R195-D198 IonicContact NE-OD1 3Å; R195-D198 PolarHBondContact NE-OD1 2.8Å; R195-D198 IonicContact NE-OD2 3.22Å; R195-D198 IonicContact NH2-OD1 2.93Å; R195-D198 PolarHBondContact NH2-OD1 2.89Å; R195-D198 IonicContact NH2-OD2 3.57Å; R195-D198 PolarHBondContact NH2-OD2 3.19Å; D198-K200 HydrophobicContact CB-CG 3.99Å; D198-K200 PolarHBondContact O-N 3.4Å
199L97.8Very high96.9Very high2 Ų249.1 Ų49.11%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-91.695.5169.1-52.2-177.5000108.9D176 V177 F197 M218 T220 W230 T232 P242D176-L199 WeakPolarHBondContact CA-O 3.5Å; V177-L199 HydrophobicContact CB-CB 4.04Å; V177-L199 HydrophobicContact CB-CD1 4.03Å; V177-L199 HydrophobicContact CB-CG 4.14Å; V177-L199 HydrophobicContact CG1-CD1 4.42Å; V177-L199 HydrophobicContact CG2-CD1 4.42Å; V177-L199 PolarHBondContact N-O 3.34Å; V177-L199 PolarHBondContact O-N 3.4Å; F197-L199 HydrophobicContact CD2-CD2 4.29Å; F197-L199 HydrophobicContact CE2-CD2 4.25Å; L199-M218 HydrophobicContact CD1-CB 3.85Å; L199-M218 HydrophobicContact CD1-CE 3.79Å; L199-M218 HydrophobicContact CD1-CG 4.47Å; L199-M218 HydrophobicContact CD1-SD 3.84Å; L199-T220 HydrophobicContact CD1-CG2 3.73Å; L199-W230 HydrophobicContact CB-CD2 4.15Å; L199-W230 HydrophobicContact CB-CZ2 4.27Å; L199-W230 HydrophobicContact CD1-CD2 4.5Å; L199-W230 HydrophobicContact CD1-CG 4.02Å; L199-W230 HydrophobicContact CD2-CB 4.04Å; L199-W230 HydrophobicContact CD2-CD2 3.97Å; L199-W230 HydrophobicContact CD2-CE3 4.22Å; L199-W230 HydrophobicContact CD2-CG 3.87Å; L199-W230 HydrophobicContact CG-CD2 4.44Å; L199-W230 HydrophobicContact CG-CG 4.37Å; L199-T232 HydrophobicContact CD2-CG2 4.01Å; L199-P242 HydrophobicContact CD2-CB 3.69Å; L199-P242 HydrophobicContact CD2-CG 3.76Å
200K95.6Very high97.1Very high125 Ų12545.8 Ų45.854%0.54324%0.243SC..EExtended strand (participates in β ladder)trans-101.1126.5-176.2-61.7172.6-175.31590111D198 W230D198-K200 HydrophobicContact CB-CG 3.99Å; D198-K200 PolarHBondContact O-N 3.4Å; K200-W230 WeakPolarHBondContact O-CH2 3.27Å
201G93.2Very high97.1Very high44 Ų4443.5 Ų43.545%0.45423%0.233SC..  trans156.9-3.6170.200000116.7K228G201-K228 WeakPolarHBondContact O-CE 3.26Å; G201-K228 PolarHBondContact O-NZ 3.45Å
202H97.9Very high97.1Very high15 Ų1535.1 Ų35.17%0.06920%0.201CC..  trans-74.2158.9165.1-74.9-70.2000110.9P175 V206 T220 S222 D224 T226 K228P175-H202 HydrophobicContact CB-CB 4.21Å; P175-H202 VanDerWaalsContact CB-O 3.26Å; P175-H202 WeakPolarHBondContact CB-O 3.47Å; P175-H202 WeakPolarHBondContact O-CB 3.15Å; H202-V206 HydrophobicContact CB-CG2 4.39Å; H202-T220 PolarHBondContact NE2-OG1 2.94Å; H202-S222 WeakPolarHBondContact CE1-CB 3.38Å; H202-S222 WeakPolarHBondContact ND1-CB 3.44Å; H202-D224 VanDerWaalsContact CA-OD2 3.24Å; H202-D224 WeakPolarHBondContact CA-OD2 3.29Å; H202-D224 VanDerWaalsContact CB-OD2 3.26Å; H202-D224 WeakPolarHBondContact CB-OD2 3.44Å; H202-D224 IonicContact CE1-OD1 3.1Å; H202-D224 IonicContact CE1-OD2 3.46Å; H202-D224 IonicContact CG-OD2 3.07Å; H202-D224 VanDerWaalsContact ND1-CG 3.34Å; H202-D224 IonicContact ND1-OD1 3.96Å; H202-D224 PolarHBondContact ND1-OD1 3.18Å; H202-D224 IonicContact ND1-OD2 2.7Å; H202-D224 PolarHBondContact ND1-OD2 3.26Å; H202-T226 PolarHBondContact CE1-O 2.79Å; H202-T226 PolarHBondContact CE1-OG1 2.94Å; H202-T226 PolarHBondContact ND1-OG1 3.42Å; H202-K228 VanDerWaalsContact ND1-CE 3.33Å; H202-K228 WeakPolarHBondContact ND1-CE 3.14Å
203S97.4Very high96.9Very high107 Ų10734.8 Ų34.875%0.74820%0.203SC*.SBendtrans-102.2-6.817662.10000113.4D224S203-D224 PolarHBondContact N-OD2 3.36Å; S203-D224 WeakPolarHBondContact OG-CB 3.28Å
204A97.3Very high96.6Very high29 Ų2937.3 Ų37.324%0.2422%0.215CC..SBendtrans-143.3173177.300000111.1P175 S222 K223 D224P175-A204 WeakPolarHBondContact CA-O 3.38Å; A204-S222 PolarHBondContact O-OG 2.95Å; A204-K223 HydrophobicContact CB-CB 4Å; A204-D224 HydrophobicContact CB-CB 4.04Å
205G96.9Very high96.5Very high15 Ų1536 Ų3616%0.15520%0.204CC..  trans-51.6145.2-179.800000113.6G172 F173 S222 K223G172-G205 CarbonylContact O-C 3.56Å; G172-G205 VanDerWaalsContact O-CA 3.29Å; G172-G205 WeakPolarHBondContact O-CA 3.22Å; F173-G205 VanDerWaalsContact O-CA 3.27Å; F173-G205 WeakPolarHBondContact O-CA 3.07Å; G205-S222 WeakPolarHBondContact O-CA 3.49Å; G205-S222 PolarHBondContact O-OG 3.15Å; G205-K223 WeakPolarHBondContact O-CB 3.31Å; G205-K223 PolarHBondContact O-N 3.07Å
206V98.3Very high96.5Very high1 Ų132.7 Ų32.71%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-95.2127.7-179.31780000108.7C171 G172 V177 H202 A208 V221C171-V206 HydrophobicContact CB-CB 3.89Å; C171-V206 HydrophobicContact CB-CG1 3.77Å; G172-V206 PolarHBondContact O-N 3.26Å; V177-V206 HydrophobicContact CG2-CB 4.44Å; V177-V206 HydrophobicContact CG2-CG1 3.91Å; V177-V206 HydrophobicContact CG2-CG2 4.38Å; H202-V206 HydrophobicContact CB-CG2 4.39Å; V206-A208 WeakPolarHBondContact CG1-O 3.2Å; V206-V221 WeakPolarHBondContact CG1-O 3.46Å
207H97.7Very high96.5Very high14 Ų1436.3 Ų36.37%0.06520%0.204CC..EExtended strand (participates in β ladder)trans-79.5-45.4-178.5-67.2-63.6000111.7V221 K223 D254 S256H207-V221 HydrophobicContact CB-CG1 4.36Å; H207-V221 PolarHBondContact N-O 2.89Å; H207-K223 PolarHBondContact CD2-N 3.14Å; H207-K223 WeakPolarHBondContact NE2-CA 3.34Å; H207-K223 WeakPolarHBondContact NE2-CB 3.18Å; H207-K223 PolarHBondContact NE2-N 3.32Å; H207-D254 IonicContact CE1-OD1 2.68Å; H207-D254 IonicContact ND1-OD1 3.38Å; H207-S256 WeakPolarHBondContact CB-O 3.45Å
208A98.1Very high96.6Very high1 Ų135.7 Ų35.71%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-156.3166.2-179.400000111.4Y158 V206 V221 S256 V258Y158-A208 HydrophobicContact CD1-CB 4.25Å; Y158-A208 HydrophobicContact CG-CB 4.3Å; V206-A208 WeakPolarHBondContact CG1-O 3.2Å; A208-V221 HydrophobicContact CB-CG1 4.14Å; A208-V221 PolarHBondContact O-N 3.07Å; A208-S256 WeakPolarHBondContact CB-O 3.49Å; A208-V258 HydrophobicContact CB-CG1 4Å
209F98.6Very high96.7Very high0 Ų034.8 Ų34.80%020%0.197CC..EExtended strand (participates in β ladder)trans-147163.8172.368-89.8000109.9Y158 A160 A169 C171 V177 F211 M218 V219 T220 V258Y158-F209 HydrophobicContact CD1-CD1 4.22Å; Y158-F209 HydrophobicContact CD1-CE1 4.09Å; Y158-F209 WeakPolarHBondContact CE1-O 3.41Å; A160-F209 HydrophobicContact CB-CE2 3.9Å; A160-F209 HydrophobicContact CB-CZ 3.95Å; A169-F209 VanDerWaalsContact C-CZ 3.48Å; A169-F209 HydrophobicContact CB-CE1 4.27Å; A169-F209 HydrophobicContact CB-CE2 3.51Å; A169-F209 HydrophobicContact CB-CZ 3.37Å; A169-F209 WeakPolarHBondContact O-CZ 3.44Å; C171-F209 HydrophobicContact CB-CD1 3.76Å; C171-F209 HydrophobicContact CB-CE1 4.1Å; V177-F209 HydrophobicContact CG1-CD1 3.74Å; V177-F209 HydrophobicContact CG1-CD2 4.34Å; V177-F209 HydrophobicContact CG1-CE1 4Å; V177-F209 HydrophobicContact CG1-CG 3.94Å; V177-F209 HydrophobicContact CG1-CZ 4.42Å; V177-F209 HydrophobicContact CG2-CB 4.29Å; V177-F209 HydrophobicContact CG2-CD1 4.28Å; V177-F209 HydrophobicContact CG2-CG 4.45Å; F209-F211 HydrophobicContact CD2-CE2 4.3Å; F209-F211 HydrophobicContact CE2-CD2 4.29Å; F209-F211 AromaticContact CE2-CE2 3.64Å; F209-F211 HydrophobicContact CE2-CE2 3.64Å; F209-F211 HydrophobicContact CE2-CZ 4.14Å; F209-M218 HydrophobicContact CD2-CE 3.57Å; F209-M218 HydrophobicContact CE2-CE 3.98Å; F209-M218 HydrophobicContact CG-CE 4.35Å; F209-V219 CarbonylContact C-O 3.53Å; F209-V219 WeakPolarHBondContact CA-O 3.46Å; F209-V219 WeakPolarHBondContact CB-O 3.42Å; F209-T220 HydrophobicContact CB-CG2 3.9Å; F209-V258 VanDerWaalsContact CA-CG1 3.47Å
210D98.4Very high96.7Very high40 Ų4034.7 Ų34.721%0.21420%0.196CC..EExtended strand (participates in β ladder)trans-146.5158.6174.1-163.419.6000111.9M218 V219 A259 L260D210-M218 CarbonylContact O-C 3.53Å; D210-M218 VanDerWaalsContact O-CA 3.25Å; D210-M218 WeakPolarHBondContact O-CA 3.49Å; D210-V219 HydrophobicContact CB-CG1 3.95Å; D210-V219 PolarHBondContact N-O 3.4Å; D210-V219 PolarHBondContact O-N 3.31Å; D210-A259 WeakPolarHBondContact OD2-CA 3.34Å; D210-L260 HydrophobicContact CB-CB 4.36Å; D210-L260 PolarHBondContact OD2-N 2.98Å
211F97.7Very high96.9Very high8 Ų828.8 Ų28.84%0.03517%0.171CC..EExtended strand (participates in β ladder)trans-103.9151.6178.7-65.5-90.3000111.2A160 P163 A169 F209 M218A160-F211 HydrophobicContact CB-CE2 4.32Å; P163-F211 HydrophobicContact CG-CB 3.98Å; A169-F211 HydrophobicContact CB-CE2 4.31Å; A169-F211 HydrophobicContact CB-CZ 3.83Å; F209-F211 HydrophobicContact CD2-CE2 4.3Å; F209-F211 HydrophobicContact CE2-CD2 4.29Å; F209-F211 AromaticContact CE2-CE2 3.64Å; F209-F211 HydrophobicContact CE2-CE2 3.64Å; F209-F211 HydrophobicContact CE2-CZ 4.14Å; F211-M218 HydrophobicContact CD1-CE 4.04Å; F211-M218 HydrophobicContact CD1-CG 3.48Å; F211-M218 VanDerWaalsContact CD1-CG 3.48Å; F211-M218 HydrophobicContact CD1-SD 3.75Å; F211-M218 HydrophobicContact CE1-CE 3.51Å; F211-M218 HydrophobicContact CE1-CG 3.77Å; F211-M218 HydrophobicContact CE1-SD 3.33Å; F211-M218 WeakPolarHBondContact CE1-SD 3.22Å; F211-M218 HydrophobicContact CE2-CE 4.27Å; F211-M218 HydrophobicContact CG-CG 4.25Å; F211-M218 HydrophobicContact CZ-CE 3.63Å; F211-M218 HydrophobicContact CZ-SD 4.07Å
212S95.7Very high97.1Very high2 Ų226.7 Ų26.71%0.01415%0.149CC..  trans-72.8161.216055.80000110.5P163 D214 S215 H216 R217P163-S212 WeakPolarHBondContact CG-O 3.27Å; S212-D214 WeakPolarHBondContact CB-OD1 3.33Å; S212-D214 PolarHBondContact O-N 2.54Å; S212-D214 PolarHBondContact OG-OD1 3.15Å; S212-S215 WeakPolarHBondContact O-CA 3.39Å; S212-S215 PolarHBondContact O-N 3.26Å; S212-H216 PolarHBondContact OG-N 3.11Å; S212-R217 PolarHBondContact N-O 2.97Å; S212-R217 PolarHBondContact OG-N 3.06Å; S212-R217 PolarHBondContact OG-O 3.23Å
213N93.3Very high97.1Very high81 Ų8133.3 Ų33.343%0.43318%0.178SC..THydrogen-bonded Turntrans-63.5-30.5-176.7-168.755.2000113.5P163 S215 P262 I304P163-N213 WeakPolarHBondContact CB-O 3.36Å; N213-S215 VanDerWaalsContact C-N 3.26Å; N213-P262 HydrophobicContact CB-CB 3.87Å; N213-P262 WeakPolarHBondContact CB-O 3.25Å; N213-P262 PolarHBondContact N-O 3.38Å; N213-I304 VanDerWaalsContact OD1-CD1 3.29Å; N213-I304 WeakPolarHBondContact OD1-CD1 3.35Å
214D92.4Very high97.1Very high86 Ų8630.1 Ų30.146%0.4615%0.152SC..THydrogen-bonded Turntrans-80.2-5.3172.763.73.5000113.4S212 H216S212-D214 WeakPolarHBondContact CB-OD1 3.33Å; S212-D214 PolarHBondContact O-N 2.54Å; S212-D214 PolarHBondContact OG-OD1 3.15Å; D214-H216 PolarHBondContact O-N 3.37Å; D214-H216 VanDerWaalsContact O-N 3.16Å; D214-H216 PolarHBondContact OD1-N 3.39Å; D214-H216 IonicContact OD2-CD2 2.94Å
215S95.1Very high97.1Very high6 Ų629.9 Ų29.94%0.04215%0.153CC..SBendtrans58.515.4-174-50.30000114.8C164 S212 N213 T232C164-S215 WeakPolarHBondContact CB-OG 3.28Å; C164-S215 PolarHBondContact N-OG 2.97Å; C164-S215 PolarHBondContact SG-OG 2.88Å; C164-S215 VanDerWaalsContact SG-OG 3.38Å; S212-S215 WeakPolarHBondContact O-CA 3.39Å; S212-S215 PolarHBondContact O-N 3.26Å; N213-S215 VanDerWaalsContact C-N 3.26Å; S215-T232 PolarHBondContact O-OG1 2.62Å
216H95.4Very high97.2Very high64 Ų6430.2 Ų30.230%0.29615%0.152SC..SBendtrans-90.3-7177.8-68.1-49.5000113.2S212 D214 N231 T232 D233S212-H216 PolarHBondContact OG-N 3.11Å; D214-H216 PolarHBondContact O-N 3.37Å; D214-H216 VanDerWaalsContact O-N 3.16Å; D214-H216 PolarHBondContact OD1-N 3.39Å; D214-H216 IonicContact OD2-CD2 2.94Å; H216-N231 PolarHBondContact O-OD1 3.22Å; H216-T232 PolarHBondContact O-N 2.78Å; H216-T232 PolarHBondContact O-OG1 2.85Å; H216-D233 HydrophobicContact CB-CB 3.98Å; H216-D233 VanDerWaalsContact CE1-CG 3.46Å; H216-D233 IonicContact CE1-OD1 3.94Å; H216-D233 PolarHBondContact CE1-OD1 3.19Å; H216-D233 IonicContact CE1-OD2 3.04Å; H216-D233 VanDerWaalsContact ND1-CB 3.29Å; H216-D233 WeakPolarHBondContact ND1-CB 3.2Å; H216-D233 IonicContact ND1-OD1 3.84Å; H216-D233 PolarHBondContact ND1-OD1 3.15Å; H216-D233 VanDerWaalsContact ND1-OD1 3.1Å; H216-D233 IonicContact ND1-OD2 3.63Å
217R96.8Very high97.2Very high91 Ų9130.2 Ų30.234%0.34315%0.151SC..EExtended strand (participates in β ladder)trans-132.7150.7171.8-58.7-177.9-177.7-164.8-1.2111S212 L229 W230 T232 L260S212-R217 PolarHBondContact N-O 2.97Å; S212-R217 PolarHBondContact OG-N 3.06Å; S212-R217 PolarHBondContact OG-O 3.23Å; R217-L229 HydrophobicContact CB-CD1 4.42Å; R217-W230 VanDerWaalsContact CA-O 3.22Å; R217-W230 WeakPolarHBondContact CA-O 3.37Å; R217-T232 PolarHBondContact N-OG1 2.8Å; R217-L260 HydrophobicContact CB-CD2 4.15Å
218M98.3Very high97.3Very high0 Ų030.4 Ų30.40%015%0.152CC..EExtended strand (participates in β ladder)trans-133.6146.1170.5-68.4179.971.600109.9A169 V177 V179 F197 L199 F209 D210 F211 W230 T232A169-M218 HydrophobicContact CB-CE 4.37Å; V177-M218 HydrophobicContact CG1-CE 4.21Å; V179-M218 HydrophobicContact CG2-CE 4.31Å; V179-M218 HydrophobicContact CG2-SD 4.33Å; F197-M218 HydrophobicContact CE2-SD 4.19Å; L199-M218 HydrophobicContact CD1-CB 3.85Å; L199-M218 HydrophobicContact CD1-CE 3.79Å; L199-M218 HydrophobicContact CD1-CG 4.47Å; L199-M218 HydrophobicContact CD1-SD 3.84Å; F209-M218 HydrophobicContact CD2-CE 3.57Å; F209-M218 HydrophobicContact CE2-CE 3.98Å; F209-M218 HydrophobicContact CG-CE 4.35Å; D210-M218 CarbonylContact O-C 3.53Å; D210-M218 VanDerWaalsContact O-CA 3.25Å; D210-M218 WeakPolarHBondContact O-CA 3.49Å; F211-M218 HydrophobicContact CD1-CE 4.04Å; F211-M218 HydrophobicContact CD1-CG 3.48Å; F211-M218 VanDerWaalsContact CD1-CG 3.48Å; F211-M218 HydrophobicContact CD1-SD 3.75Å; F211-M218 HydrophobicContact CE1-CE 3.51Å; F211-M218 HydrophobicContact CE1-CG 3.77Å; F211-M218 HydrophobicContact CE1-SD 3.33Å; F211-M218 WeakPolarHBondContact CE1-SD 3.22Å; F211-M218 HydrophobicContact CE2-CE 4.27Å; F211-M218 HydrophobicContact CG-CG 4.25Å; F211-M218 HydrophobicContact CZ-CE 3.63Å; F211-M218 HydrophobicContact CZ-SD 4.07Å; M218-W230 HydrophobicContact CB-CB 4.5Å; M218-W230 PolarHBondContact N-O 3.44Å; M218-W230 VanDerWaalsContact N-O 3.16Å; M218-W230 PolarHBondContact O-N 3.33Å; M218-T232 HydrophobicContact CB-CG2 4.12Å; M218-T232 HydrophobicContact CG-CG2 3.79Å; M218-T232 HydrophobicContact SD-CG2 3.77Å
219V98.6Very high97.3Very high0 Ų030.5 Ų30.50%015%0.153CC..EExtended strand (participates in β ladder)trans-115.7144.4169.768.20000109.8F209 D210 W227 K228 V258 L260 V267F209-V219 CarbonylContact C-O 3.53Å; F209-V219 WeakPolarHBondContact CA-O 3.46Å; F209-V219 WeakPolarHBondContact CB-O 3.42Å; D210-V219 HydrophobicContact CB-CG1 3.95Å; D210-V219 PolarHBondContact N-O 3.4Å; D210-V219 PolarHBondContact O-N 3.31Å; V219-W227 HydrophobicContact CG2-CE3 3.91Å; V219-K228 CarbonylContact C-O 3.57Å; V219-K228 VanDerWaalsContact CA-O 3.27Å; V219-K228 WeakPolarHBondContact CA-O 3.3Å; V219-K228 WeakPolarHBondContact CG2-O 3.34Å; V219-V258 HydrophobicContact CB-CG2 4.37Å; V219-V258 HydrophobicContact CG1-CB 4.49Å; V219-V258 HydrophobicContact CG1-CG1 4.15Å; V219-V258 HydrophobicContact CG1-CG2 3.53Å; V219-V258 HydrophobicContact CG2-CG2 3.91Å; V219-L260 HydrophobicContact CG1-CB 3.77Å; V219-V267 HydrophobicContact CB-CG2 4.14Å; V219-V267 HydrophobicContact CG1-CG2 4.43Å; V219-V267 HydrophobicContact CG2-CB 4.48Å; V219-V267 HydrophobicContact CG2-CG1 3.89Å; V219-V267 HydrophobicContact CG2-CG2 3.68Å
220T98.7Very high97.3Very high0 Ų030.9 Ų30.90%015%0.154CC..EExtended strand (participates in β ladder)trans-130.2143.3177.557.20000109.8V177 L199 H202 F209 W227 K228 W230V177-T220 HydrophobicContact CG2-CG2 3.55Å; L199-T220 HydrophobicContact CD1-CG2 3.73Å; H202-T220 PolarHBondContact NE2-OG1 2.94Å; F209-T220 HydrophobicContact CB-CG2 3.9Å; T220-W227 CarbonylContact O-C 3.57Å; T220-W227 WeakPolarHBondContact O-CA 3.38Å; T220-W227 VanDerWaalsContact O-CB 3.22Å; T220-W227 WeakPolarHBondContact O-CB 3.5Å; T220-K228 PolarHBondContact N-O 3.04Å; T220-K228 PolarHBondContact O-N 2.91Å; T220-W230 PolarHBondContact OG1-NE1 3.42Å
221V98.6Very high97.2Very high0 Ų031.3 Ų31.30%016%0.157CC..EExtended strand (participates in β ladder)trans-123.8133.1171.765.10000110.1V206 H207 A208 W227 V258 I269V206-V221 WeakPolarHBondContact CG1-O 3.46Å; H207-V221 HydrophobicContact CB-CG1 4.36Å; H207-V221 PolarHBondContact N-O 2.89Å; A208-V221 HydrophobicContact CB-CG1 4.14Å; A208-V221 PolarHBondContact O-N 3.07Å; V221-W227 HydrophobicContact CB-CB 4.47Å; V221-V258 HydrophobicContact CB-CB 4.15Å; V221-V258 HydrophobicContact CB-CG1 4.44Å; V221-V258 HydrophobicContact CG1-CB 3.72Å; V221-V258 HydrophobicContact CG1-CG1 3.86Å; V221-I269 HydrophobicContact CG2-CD1 4.35Å; V221-I269 HydrophobicContact CG2-CG2 3.91Å
222S98.4Very high97.1Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-130.5155.5-169.1173.20000112.9H202 A204 G205 D224 G225 T226 S252H202-S222 WeakPolarHBondContact CE1-CB 3.38Å; H202-S222 WeakPolarHBondContact ND1-CB 3.44Å; A204-S222 PolarHBondContact O-OG 2.95Å; G205-S222 WeakPolarHBondContact O-CA 3.49Å; G205-S222 PolarHBondContact O-OG 3.15Å; S222-D224 WeakPolarHBondContact CB-OD1 3.45Å; S222-D224 PolarHBondContact O-N 3.11Å; S222-D224 VanDerWaalsContact O-N 3.08Å; S222-D224 PolarHBondContact OG-N 3.04Å; S222-D224 VanDerWaalsContact OG-N 3.13Å; S222-D224 PolarHBondContact OG-OD1 2.71Å; S222-G225 PolarHBondContact O-N 2.96Å; S222-G225 VanDerWaalsContact O-N 3.07Å; S222-T226 PolarHBondContact N-O 3.38Å; S222-T226 VanDerWaalsContact N-O 3.08Å; S222-S252 PolarHBondContact O-OG 3.4Å; S222-S252 VanDerWaalsContact O-OG 3.11Å
223K97.7Very high97.1Very high155 Ų15536 Ų3667%0.67418%0.182SC*.THydrogen-bonded Turntrans-57.3-16.3169.4-171171.6-179.1174.70113.3A204 G205 H207 G225A204-K223 HydrophobicContact CB-CB 4Å; G205-K223 WeakPolarHBondContact O-CB 3.31Å; G205-K223 PolarHBondContact O-N 3.07Å; H207-K223 PolarHBondContact CD2-N 3.14Å; H207-K223 WeakPolarHBondContact NE2-CA 3.34Å; H207-K223 WeakPolarHBondContact NE2-CB 3.18Å; H207-K223 PolarHBondContact NE2-N 3.32Å; K223-G225 PolarHBondContact O-N 3.29Å
224D97.6Very high97.1Very high40 Ų4032.9 Ų32.921%0.21417%0.166CC..THydrogen-bonded Turntrans-70.80.2173.571.413.1000114.1H202 S203 A204 S222 T226H202-D224 VanDerWaalsContact CA-OD2 3.24Å; H202-D224 WeakPolarHBondContact CA-OD2 3.29Å; H202-D224 VanDerWaalsContact CB-OD2 3.26Å; H202-D224 WeakPolarHBondContact CB-OD2 3.44Å; H202-D224 IonicContact CE1-OD1 3.1Å; H202-D224 IonicContact CE1-OD2 3.46Å; H202-D224 IonicContact CG-OD2 3.07Å; H202-D224 VanDerWaalsContact ND1-CG 3.34Å; H202-D224 IonicContact ND1-OD1 3.96Å; H202-D224 PolarHBondContact ND1-OD1 3.18Å; H202-D224 IonicContact ND1-OD2 2.7Å; H202-D224 PolarHBondContact ND1-OD2 3.26Å; S203-D224 PolarHBondContact N-OD2 3.36Å; S203-D224 WeakPolarHBondContact OG-CB 3.28Å; A204-D224 HydrophobicContact CB-CB 4.04Å; S222-D224 WeakPolarHBondContact CB-OD1 3.45Å; S222-D224 PolarHBondContact O-N 3.11Å; S222-D224 VanDerWaalsContact O-N 3.08Å; S222-D224 PolarHBondContact OG-N 3.04Å; S222-D224 VanDerWaalsContact OG-N 3.13Å; S222-D224 PolarHBondContact OG-OD1 2.71Å; D224-T226 VanDerWaalsContact C-N 3.34Å; D224-T226 WeakPolarHBondContact OD1-CB 3.2Å; D224-T226 PolarHBondContact OD1-N 2.85Å; D224-T226 PolarHBondContact OD1-OG1 2.93Å
225G97.4Very high97.1Very high24 Ų2433.4 Ų33.425%0.24717%0.165CC..THydrogen-bonded Turntrans77.822.2178.300000112.7S222 K223 P249 C250S222-G225 PolarHBondContact O-N 2.96Å; S222-G225 VanDerWaalsContact O-N 3.07Å; K223-G225 PolarHBondContact O-N 3.29Å; G225-P249 CarbonylContact O-C 3.52Å; G225-P249 WeakPolarHBondContact O-CA 3.08Å; G225-C250 CarbonylContact C-O 3.53Å; G225-C250 PolarHBondContact O-N 3.38Å
226T98.4Very high97Very high22 Ų2234.8 Ų34.814%0.13517%0.17CC..EExtended strand (participates in β ladder)trans-130.2153.3175.573.20000112.2H202 S222 D224 T247 V248 C250H202-T226 PolarHBondContact CE1-O 2.79Å; H202-T226 PolarHBondContact CE1-OG1 2.94Å; H202-T226 PolarHBondContact ND1-OG1 3.42Å; S222-T226 PolarHBondContact N-O 3.38Å; S222-T226 VanDerWaalsContact N-O 3.08Å; D224-T226 VanDerWaalsContact C-N 3.34Å; D224-T226 WeakPolarHBondContact OD1-CB 3.2Å; D224-T226 PolarHBondContact OD1-N 2.85Å; D224-T226 PolarHBondContact OD1-OG1 2.93Å; T226-T247 HydrophobicContact CG2-CG2 3.99Å; T226-V248 CarbonylContact C-O 3.56Å; T226-V248 VanDerWaalsContact CA-O 3.22Å; T226-V248 WeakPolarHBondContact CA-O 3.49Å; T226-V248 WeakPolarHBondContact CB-O 3.39Å; T226-C250 VanDerWaalsContact C-SG 3.58Å
227W98.5Very high96.8Very high0 Ų038.8 Ų38.80%019%0.187CC..EExtended strand (participates in β ladder)trans-10915015765.4-91.8000110.7V219 T220 V221 L229 V248 V267 I269 F278V219-W227 HydrophobicContact CG2-CE3 3.91Å; T220-W227 CarbonylContact O-C 3.57Å; T220-W227 WeakPolarHBondContact O-CA 3.38Å; T220-W227 VanDerWaalsContact O-CB 3.22Å; T220-W227 WeakPolarHBondContact O-CB 3.5Å; V221-W227 HydrophobicContact CB-CB 4.47Å; W227-L229 HydrophobicContact CZ3-CB 4.11Å; W227-V248 HydrophobicContact CD2-CB 4Å; W227-V248 HydrophobicContact CD2-CG2 4.24Å; W227-V248 VanDerWaalsContact CE2-CB 3.41Å; W227-V248 HydrophobicContact CE3-CG2 4.49Å; W227-V248 HydrophobicContact CG-CB 4.37Å; W227-V248 HydrophobicContact CH2-CB 4.36Å; W227-V248 HydrophobicContact CH2-CG2 3.66Å; W227-V248 HydrophobicContact CZ2-CB 3.62Å; W227-V248 HydrophobicContact CZ2-CG1 3.93Å; W227-V248 HydrophobicContact CZ2-CG2 3.34Å; W227-V248 HydrophobicContact CZ3-CG2 4.23Å; W227-V248 PolarHBondContact N-O 3.19Å; W227-V248 PolarHBondContact O-N 2.91Å; W227-V267 HydrophobicContact CD2-CG1 4.3Å; W227-V267 HydrophobicContact CE3-CG1 4.38Å; W227-V267 HydrophobicContact CE3-CG2 4.47Å; W227-V267 HydrophobicContact CZ3-CG2 4.21Å; W227-I269 HydrophobicContact CB-CD1 3.53Å; W227-I269 HydrophobicContact CD2-CD1 4.27Å; W227-I269 HydrophobicContact CG-CD1 3.4Å; W227-F278 AromaticContact CE2-CG 3.94Å; W227-F278 HydrophobicContact CH2-CB 4.35Å; W227-F278 HydrophobicContact CZ2-CB 3.52Å; W227-F278 HydrophobicContact CZ2-CD1 4.16Å; W227-F278 AromaticContact CZ2-CG 3.85Å; W227-F278 HydrophobicContact CZ2-CG 3.85Å; W227-F278 AromaticContact NE1-CD1 3.69Å; W227-F278 AromaticContact NE1-CD2 3.66Å; W227-F278 AromaticContact NE1-CE1 3.87Å; W227-F278 AromaticContact NE1-CE2 3.86Å; W227-F278 AromaticContact NE1-CG 3.58Å; W227-F278 AromaticContact NE1-CZ 3.96Å
228K98.6Very high96.6Very high18 Ų1841 Ų418%0.07820%0.199CC..EExtended strand (participates in β ladder)trans-127.3144.1-180-66.3176.4-170-86.20110.9G201 H202 V219 T220 W230 L244 R246 T247G201-K228 WeakPolarHBondContact O-CE 3.26Å; G201-K228 PolarHBondContact O-NZ 3.45Å; H202-K228 VanDerWaalsContact ND1-CE 3.33Å; H202-K228 WeakPolarHBondContact ND1-CE 3.14Å; V219-K228 CarbonylContact C-O 3.57Å; V219-K228 VanDerWaalsContact CA-O 3.27Å; V219-K228 WeakPolarHBondContact CA-O 3.3Å; V219-K228 WeakPolarHBondContact CG2-O 3.34Å; T220-K228 PolarHBondContact N-O 3.04Å; T220-K228 PolarHBondContact O-N 2.91Å; K228-W230 HydrophobicContact CB-CZ2 4.05Å; K228-W230 HydrophobicContact CD-CH2 4.46Å; K228-W230 HydrophobicContact CD-CZ2 3.72Å; K228-L244 HydrophobicContact CB-CD1 3.78Å; K228-L244 HydrophobicContact CD-CD1 4.04Å; K228-L244 HydrophobicContact CG-CD1 4.03Å; K228-R246 CarbonylContact C-O 3.53Å; K228-R246 WeakPolarHBondContact CA-O 3.42Å; K228-T247 HydrophobicContact CG-CG2 4.11Å; K228-T247 VanDerWaalsContact NZ-CG2 3.34Å; K228-T247 PolarHBondContact NZ-OG1 3.06Å
229L98.5Very high96.2Very high4 Ų449.4 Ų49.42%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-112.6134.1173.9-177.771.5000109.4R217 W227 L245 R246 L260R217-L229 HydrophobicContact CB-CD1 4.42Å; W227-L229 HydrophobicContact CZ3-CB 4.11Å; L229-L245 HydrophobicContact CB-CB 4.43Å; L229-L245 HydrophobicContact CD2-CB 4.24Å; L229-L245 HydrophobicContact CD2-CD1 4.02Å; L229-L245 HydrophobicContact CG-CB 4.3Å; L229-L245 HydrophobicContact CG-CD1 4.13Å; L229-L245 WeakPolarHBondContact O-CA 3.24Å; L229-L245 WeakPolarHBondContact O-CB 3.36Å; L229-L245 PolarHBondContact O-N 2.92Å; L229-R246 HydrophobicContact CB-CB 4.21Å; L229-R246 PolarHBondContact N-O 2.83Å; L229-R246 PolarHBondContact O-N 2.81Å; L229-L260 HydrophobicContact CD1-CD2 4.38Å
230W98.3Very high96Very high7 Ų752.9 Ų52.93%0.02725%0.254CS..EExtended strand (participates in β ladder)trans-122.2143.2-175.3-54.786.3000110.5L199 K200 R217 M218 T220 K228 T232 P242 Y243 L244L199-W230 HydrophobicContact CB-CD2 4.15Å; L199-W230 HydrophobicContact CB-CZ2 4.27Å; L199-W230 HydrophobicContact CD1-CD2 4.5Å; L199-W230 HydrophobicContact CD1-CG 4.02Å; L199-W230 HydrophobicContact CD2-CB 4.04Å; L199-W230 HydrophobicContact CD2-CD2 3.97Å; L199-W230 HydrophobicContact CD2-CE3 4.22Å; L199-W230 HydrophobicContact CD2-CG 3.87Å; L199-W230 HydrophobicContact CG-CD2 4.44Å; L199-W230 HydrophobicContact CG-CG 4.37Å; K200-W230 WeakPolarHBondContact O-CH2 3.27Å; R217-W230 VanDerWaalsContact CA-O 3.22Å; R217-W230 WeakPolarHBondContact CA-O 3.37Å; M218-W230 HydrophobicContact CB-CB 4.5Å; M218-W230 PolarHBondContact N-O 3.44Å; M218-W230 VanDerWaalsContact N-O 3.16Å; M218-W230 PolarHBondContact O-N 3.33Å; T220-W230 PolarHBondContact OG1-NE1 3.42Å; K228-W230 HydrophobicContact CB-CZ2 4.05Å; K228-W230 HydrophobicContact CD-CH2 4.46Å; K228-W230 HydrophobicContact CD-CZ2 3.72Å; W230-T232 HydrophobicContact CB-CG2 4.24Å; W230-P242 HydrophobicContact CE3-CB 4.49Å; W230-Y243 CarbonylContact C-O 3.56Å; W230-Y243 WeakPolarHBondContact CA-O 3.42Å; W230-L244 HydrophobicContact CD2-CD1 4.09Å; W230-L244 HydrophobicContact CE3-CB 3.93Å; W230-L244 HydrophobicContact CE3-CD1 4.14Å; W230-L244 HydrophobicContact CH2-CB 4.04Å; W230-L244 HydrophobicContact CH2-CD1 3.77Å; W230-L244 HydrophobicContact CH2-CD2 4.37Å; W230-L244 HydrophobicContact CH2-CG 4.27Å; W230-L244 HydrophobicContact CZ2-CD1 3.78Å; W230-L244 HydrophobicContact CZ3-CB 3.58Å; W230-L244 HydrophobicContact CZ3-CD1 4Å; W230-L244 HydrophobicContact CZ3-CG 4.28Å
231N97.2Very high95.7Very high50 Ų5057.4 Ų57.427%0.26728%0.279SS..EExtended strand (participates in β ladder)trans-91.3117.6160.1-176.1-3.2000108.3H216 D233 P242 Y243 L245H216-N231 PolarHBondContact O-OD1 3.22Å; N231-D233 WeakPolarHBondContact OD1-CB 3.15Å; N231-D233 PolarHBondContact OD1-N 3.16Å; N231-P242 WeakPolarHBondContact O-CA 3.36Å; N231-P242 WeakPolarHBondContact O-CB 3.14Å; N231-Y243 PolarHBondContact N-O 3.39Å; N231-Y243 PolarHBondContact O-N 2.76Å; N231-L245 HydrophobicContact CB-CD1 4Å; N231-L245 HydrophobicContact CB-CD2 4.05Å; N231-L245 HydrophobicContact CB-CG 4.02Å
232T96.1Very high95.6Very high9 Ų958.1 Ų58.16%0.05528%0.283CS..  trans-108.96.9-178.7530000112.7F197 L199 S215 H216 R217 M218 W230 V234 P242F197-T232 HydrophobicContact CE2-CG2 3.86Å; F197-T232 HydrophobicContact CZ-CG2 4.13Å; L199-T232 HydrophobicContact CD2-CG2 4.01Å; S215-T232 PolarHBondContact O-OG1 2.62Å; H216-T232 PolarHBondContact O-N 2.78Å; H216-T232 PolarHBondContact O-OG1 2.85Å; R217-T232 PolarHBondContact N-OG1 2.8Å; M218-T232 HydrophobicContact CB-CG2 4.12Å; M218-T232 HydrophobicContact CG-CG2 3.79Å; M218-T232 HydrophobicContact SD-CG2 3.77Å; W230-T232 HydrophobicContact CB-CG2 4.24Å; T232-V234 PolarHBondContact O-N 2.85Å; T232-P242 HydrophobicContact CG2-CB 4.15Å; T232-P242 HydrophobicContact CG2-CG 4.38Å
233D95.2Very high95.6Very high100 Ų10064.2 Ų64.254%0.53531%0.307SS..  trans-75.373.4167.9-165.127.3000110.7H216 N231H216-D233 HydrophobicContact CB-CB 3.98Å; H216-D233 VanDerWaalsContact CE1-CG 3.46Å; H216-D233 IonicContact CE1-OD1 3.94Å; H216-D233 PolarHBondContact CE1-OD1 3.19Å; H216-D233 IonicContact CE1-OD2 3.04Å; H216-D233 VanDerWaalsContact ND1-CB 3.29Å; H216-D233 WeakPolarHBondContact ND1-CB 3.2Å; H216-D233 IonicContact ND1-OD1 3.84Å; H216-D233 PolarHBondContact ND1-OD1 3.15Å; H216-D233 VanDerWaalsContact ND1-OD1 3.1Å; H216-D233 IonicContact ND1-OD2 3.63Å; N231-D233 WeakPolarHBondContact OD1-CB 3.15Å; N231-D233 PolarHBondContact OD1-N 3.16Å
234V93.1Very high95.5Very high14 Ų1460.5 Ų60.59%0.08529%0.294CS..SBendtrans-127.2149.2-175.6-59.90000111.1F197 T232 Y236 Q240 P242 Y243F197-V234 HydrophobicContact CD1-CG2 4.49Å; T232-V234 PolarHBondContact O-N 2.85Å; V234-Y236 WeakPolarHBondContact O-CD1 3.32Å; V234-Y236 PolarHBondContact O-N 2.97Å; V234-Q240 HydrophobicContact CB-CB 4.07Å; V234-P242 HydrophobicContact CG2-CG 4.31Å; V234-Y243 HydrophobicContact CG1-CD2 3.87Å; V234-Y243 HydrophobicContact CG1-CE2 3.74Å
235E93Very high95.5Very high97 Ų9762.3 Ų62.345%0.45330%0.303SS..  trans-78.769.6171.3-62.1-165-107.600110.3K237 K238 Q240E235-K237 PolarHBondContact O-N 2.94Å; E235-K237 VanDerWaalsContact O-N 3.11Å; E235-K238 HydrophobicContact CB-CB 4.24Å; E235-K238 HydrophobicContact CB-CD 4.17Å; E235-K238 HydrophobicContact CB-CG 4.31Å; E235-K238 CarbonylContact O-C 3.5Å; E235-K238 WeakPolarHBondContact O-CA 3.13Å; E235-K238 WeakPolarHBondContact O-CB 3.4Å; E235-K238 PolarHBondContact O-N 2.86Å; E235-K238 IonicContact OE1-NZ 3.32Å; E235-K238 PolarHBondContact OE1-NZ 3.24Å; E235-K238 VanDerWaalsContact OE2-CD 3.31Å; E235-K238 WeakPolarHBondContact OE2-CD 3.43Å; E235-K238 WeakPolarHBondContact OE2-CE 3.33Å; E235-K238 IonicContact OE2-NZ 2.67Å; E235-K238 PolarHBondContact OE2-NZ 2.86Å; E235-Q240 HydrophobicContact CB-CG 4.38Å; E235-Q240 PolarHBondContact O-N 2.78Å
236Y91.8Very high95.5Very high35 Ų3565.5 Ų65.514%0.13731%0.308CS..G310 helixtrans-59.9-24.5-177.461.2-91.1000113.4F167 E181 A196 F197 V234 K238 Q239F167-Y236 AromaticContact CE1-CE1 3.86Å; F167-Y236 HydrophobicContact CE1-CE1 3.86Å; F167-Y236 HydrophobicContact CE1-CE2 4.41Å; F167-Y236 AromaticContact CE1-CZ 3.72Å; F167-Y236 AromaticContact CZ-CE1 3.62Å; F167-Y236 HydrophobicContact CZ-CE1 3.62Å; F167-Y236 AromaticContact CZ-CZ 3.87Å; E181-Y236 PolarHBondContact OE1-OH 2.84Å; E181-Y236 VanDerWaalsContact OE1-OH 3.04Å; E181-Y236 WeakPolarHBondContact OE2-CE2 3.41Å; E181-Y236 PolarHBondContact OE2-OH 2.82Å; A196-Y236 HydrophobicContact CB-CD2 3.75Å; A196-Y236 HydrophobicContact CB-CE2 3.98Å; A196-Y236 HydrophobicContact CB-CG 4.17Å; F197-Y236 HydrophobicContact CD1-CD1 4.1Å; F197-Y236 AromaticContact CD1-CG 3.99Å; F197-Y236 HydrophobicContact CD1-CG 3.99Å; F197-Y236 HydrophobicContact CE1-CD1 4.19Å; V234-Y236 WeakPolarHBondContact O-CD1 3.32Å; V234-Y236 PolarHBondContact O-N 2.97Å; Y236-K238 PolarHBondContact O-N 3.29Å; Y236-Q239 WeakPolarHBondContact O-CA 3.21Å; Y236-Q239 PolarHBondContact O-N 2.83Å
237K91.5Very high95.5Very high149 Ų14967.4 Ų67.465%0.64832%0.319SS*.G310 helixtrans-65.9-22.5171.9-64.9-175.3180174.30112.9E181 E235 Q239E181-K237 IonicContact OE1-NZ 2.82Å; E181-K237 PolarHBondContact OE1-NZ 2.93Å; E181-K237 VanDerWaalsContact OE1-NZ 3.08Å; E181-K237 WeakPolarHBondContact OE2-CE 3.24Å; E181-K237 IonicContact OE2-NZ 3.08Å; E181-K237 PolarHBondContact OE2-NZ 2.91Å; E235-K237 PolarHBondContact O-N 2.94Å; E235-K237 VanDerWaalsContact O-N 3.11Å; K237-Q239 VanDerWaalsContact C-N 3.33Å
238K93.3Very high95.5Very high137 Ų13768 Ų6860%0.59632%0.323SS*.G310 helixtrans-96.317.4169.7-61.2-179.2-178.9160.90112.1E235 Y236 Q240E235-K238 HydrophobicContact CB-CB 4.24Å; E235-K238 HydrophobicContact CB-CD 4.17Å; E235-K238 HydrophobicContact CB-CG 4.31Å; E235-K238 CarbonylContact O-C 3.5Å; E235-K238 WeakPolarHBondContact O-CA 3.13Å; E235-K238 WeakPolarHBondContact O-CB 3.4Å; E235-K238 PolarHBondContact O-N 2.86Å; E235-K238 IonicContact OE1-NZ 3.32Å; E235-K238 PolarHBondContact OE1-NZ 3.24Å; E235-K238 VanDerWaalsContact OE2-CD 3.31Å; E235-K238 WeakPolarHBondContact OE2-CD 3.43Å; E235-K238 WeakPolarHBondContact OE2-CE 3.33Å; E235-K238 IonicContact OE2-NZ 2.67Å; E235-K238 PolarHBondContact OE2-NZ 2.86Å; Y236-K238 PolarHBondContact O-N 3.29Å; K238-Q240 PolarHBondContact O-N 3.49Å
239Q90.6Very high95.5Very high177 Ų17772.3 Ų72.383%0.82735%0.353SS*.THydrogen-bonded Turntrans59.329.5-179.3-55.7178.9-13.700113.8Y236 K237Y236-Q239 WeakPolarHBondContact O-CA 3.21Å; Y236-Q239 PolarHBondContact O-N 2.83Å; K237-Q239 VanDerWaalsContact C-N 3.33Å
240Q93.7Very high95.3Very high72 Ų7273 Ų7334%0.33636%0.358SS..PPolyproline II helixtrans-74.2126.6168.8-68.4-176.7-3.800109.9V234 E235 K238V234-Q240 HydrophobicContact CB-CB 4.07Å; E235-Q240 HydrophobicContact CB-CG 4.38Å; E235-Q240 PolarHBondContact O-N 2.78Å; K238-Q240 PolarHBondContact O-N 3.49Å
241D92.9Very high95.1Very high96 Ų9676.5 Ų76.551%0.51338%0.383SS..PPolyproline II helixtrans-80.5146.4174.4-76.5-40.4000111.1
242P96.9Very high94.9Very high14 Ų1475.6 Ų75.69%0.09138%0.381CS..PPolyproline II helixtrans-55.9144.7170.1-27.337.1000113F197 L199 W230 N231 T232 V234F197-P242 HydrophobicContact CB-CG 3.97Å; F197-P242 HydrophobicContact CD2-CG 3.34Å; F197-P242 HydrophobicContact CE2-CG 3.9Å; F197-P242 HydrophobicContact CG-CG 3.74Å; L199-P242 HydrophobicContact CD2-CB 3.69Å; L199-P242 HydrophobicContact CD2-CG 3.76Å; W230-P242 HydrophobicContact CE3-CB 4.49Å; N231-P242 WeakPolarHBondContact O-CA 3.36Å; N231-P242 WeakPolarHBondContact O-CB 3.14Å; T232-P242 HydrophobicContact CG2-CB 4.15Å; T232-P242 HydrophobicContact CG2-CG 4.38Å; V234-P242 HydrophobicContact CG2-CG 4.31Å
243Y96.4Very high94.7Very high128 Ų12876.9 Ų76.950%0.50239%0.391SS..EExtended strand (participates in β ladder)trans-92.7125.2-179.4-57.4-86.2000111W230 N231 V234 L245W230-Y243 CarbonylContact C-O 3.56Å; W230-Y243 WeakPolarHBondContact CA-O 3.42Å; N231-Y243 PolarHBondContact N-O 3.39Å; N231-Y243 PolarHBondContact O-N 2.76Å; V234-Y243 HydrophobicContact CG1-CD2 3.87Å; V234-Y243 HydrophobicContact CG1-CE2 3.74Å; Y243-L245 PolarHBondContact O-N 3.39Å
244L97.5Very high94.5Very high78 Ų7879 Ų7941%0.40840%0.402SS..EExtended strand (participates in β ladder)trans-69.2112.8170.3-179.560.1000109.6K228 W230 R246K228-L244 HydrophobicContact CB-CD1 3.78Å; K228-L244 HydrophobicContact CD-CD1 4.04Å; K228-L244 HydrophobicContact CG-CD1 4.03Å; W230-L244 HydrophobicContact CD2-CD1 4.09Å; W230-L244 HydrophobicContact CE3-CB 3.93Å; W230-L244 HydrophobicContact CE3-CD1 4.14Å; W230-L244 HydrophobicContact CH2-CB 4.04Å; W230-L244 HydrophobicContact CH2-CD1 3.77Å; W230-L244 HydrophobicContact CH2-CD2 4.37Å; W230-L244 HydrophobicContact CH2-CG 4.27Å; W230-L244 HydrophobicContact CZ2-CD1 3.78Å; W230-L244 HydrophobicContact CZ3-CB 3.58Å; W230-L244 HydrophobicContact CZ3-CD1 4Å; W230-L244 HydrophobicContact CZ3-CG 4.28Å; L244-R246 VanDerWaalsContact CD1-O 3.28Å; L244-R246 WeakPolarHBondContact CD1-O 3.39Å
245L97.1Very high94.4Very high78 Ų7880.2 Ų80.241%0.40842%0.417SS..EExtended strand (participates in β ladder)trans-85.6-38.5177.6-62.9179.2000111.8L229 N231 Y243L229-L245 HydrophobicContact CB-CB 4.43Å; L229-L245 HydrophobicContact CD2-CB 4.24Å; L229-L245 HydrophobicContact CD2-CD1 4.02Å; L229-L245 HydrophobicContact CG-CB 4.3Å; L229-L245 HydrophobicContact CG-CD1 4.13Å; L229-L245 WeakPolarHBondContact O-CA 3.24Å; L229-L245 WeakPolarHBondContact O-CB 3.36Å; L229-L245 PolarHBondContact O-N 2.92Å; N231-L245 HydrophobicContact CB-CD1 4Å; N231-L245 HydrophobicContact CB-CD2 4.05Å; N231-L245 HydrophobicContact CB-CG 4.02Å; Y243-L245 PolarHBondContact O-N 3.39Å
246R97.1Very high94.6Very high90 Ų9075.6 Ų75.634%0.3440%0.395SS..EExtended strand (participates in β ladder)trans-155.3147.1-174.8-162.3165.1-72.1-71.6-12.4112.8K228 L229 L244 V248 T280 T281 T282K228-R246 CarbonylContact C-O 3.53Å; K228-R246 WeakPolarHBondContact CA-O 3.42Å; L229-R246 HydrophobicContact CB-CB 4.21Å; L229-R246 PolarHBondContact N-O 2.83Å; L229-R246 PolarHBondContact O-N 2.81Å; L244-R246 VanDerWaalsContact CD1-O 3.28Å; L244-R246 WeakPolarHBondContact CD1-O 3.39Å; R246-V248 HydrophobicContact CG-CG2 3.57Å; R246-T280 PolarHBondContact NE-O 3.48Å; R246-T281 PolarHBondContact NE-O 3.25Å; R246-T281 PolarHBondContact NH2-O 2.94Å; R246-T282 PolarHBondContact NH1-O 2.84Å
247T98.3Very high94.8Very high62 Ų6276.5 Ų76.538%0.3840%0.399SS..EExtended strand (participates in β ladder)trans-125.5129.3164-60.30000107.7T226 K228T226-T247 HydrophobicContact CG2-CG2 3.99Å; K228-T247 HydrophobicContact CG-CG2 4.11Å; K228-T247 VanDerWaalsContact NZ-CG2 3.34Å; K228-T247 PolarHBondContact NZ-OG1 3.06Å
248V98.5Very high95.2Very high14 Ų1469.7 Ų69.79%0.08537%0.369CS..EExtended strand (participates in β ladder)trans-133.4130.9-178-1750000109.3T226 W227 R246 F278 G283T226-V248 CarbonylContact C-O 3.56Å; T226-V248 VanDerWaalsContact CA-O 3.22Å; T226-V248 WeakPolarHBondContact CA-O 3.49Å; T226-V248 WeakPolarHBondContact CB-O 3.39Å; W227-V248 HydrophobicContact CD2-CB 4Å; W227-V248 HydrophobicContact CD2-CG2 4.24Å; W227-V248 VanDerWaalsContact CE2-CB 3.41Å; W227-V248 HydrophobicContact CE3-CG2 4.49Å; W227-V248 HydrophobicContact CG-CB 4.37Å; W227-V248 HydrophobicContact CH2-CB 4.36Å; W227-V248 HydrophobicContact CH2-CG2 3.66Å; W227-V248 HydrophobicContact CZ2-CB 3.62Å; W227-V248 HydrophobicContact CZ2-CG1 3.93Å; W227-V248 HydrophobicContact CZ2-CG2 3.34Å; W227-V248 HydrophobicContact CZ3-CG2 4.23Å; W227-V248 PolarHBondContact N-O 3.19Å; W227-V248 PolarHBondContact O-N 2.91Å; R246-V248 HydrophobicContact CG-CG2 3.57Å; V248-F278 HydrophobicContact CG1-CD1 4.41Å; V248-F278 HydrophobicContact CG1-CE1 4.49Å; V248-G283 VanDerWaalsContact CG1-O 3.27Å; V248-G283 WeakPolarHBondContact CG1-O 3.19Å
249P97.9Very high95.4Very high107 Ų10763.2 Ų63.270%0.69534%0.341SS*.EExtended strand (participates in β ladder)trans-62.4137.8171-21.133.3000111.7G225G225-P249 CarbonylContact O-C 3.52Å; G225-P249 WeakPolarHBondContact O-CA 3.08Å
250C96.1Very high95.8Very high20 Ų2055 Ų5514%0.13530%0.303CS..  trans-147.2156.5173.361.40000111.4G225 T226 I269 F278G225-C250 CarbonylContact C-O 3.53Å; G225-C250 PolarHBondContact O-N 3.38Å; T226-C250 VanDerWaalsContact C-SG 3.58Å; C250-I269 HydrophobicContact CB-CD1 4.41Å; C250-F278 HydrophobicContact CB-CE2 4.43Å; C250-F278 HydrophobicContact CB-CZ 3.98Å
251S93.6Very high95.9Very high79 Ų7951.5 Ų51.555%0.55229%0.287SS*.  trans-70133.9162.4-50.10000109D271S251-D271 WeakPolarHBondContact CB-OD2 2.94Å
252S91.8Very high96Very high31 Ų3148.1 Ų48.122%0.21727%0.27CS..  trans-14714617360.50000108.8S222S222-S252 PolarHBondContact O-OG 3.4Å; S222-S252 VanDerWaalsContact O-OG 3.11Å
253S92.9Very high95.8Very high37 Ų3750.8 Ų50.826%0.25928%0.283SS..  trans-117.8170.9176.569.30000109.5G255 S256 D271 G272S253-G255 PolarHBondContact O-N 2.96Å; S253-S256 PolarHBondContact N-OG 2.9Å; S253-S256 WeakPolarHBondContact O-CB 3.42Å; S253-S256 PolarHBondContact O-N 3.08Å; S253-S256 PolarHBondContact O-OG 2.63Å; S253-D271 VanDerWaalsContact CB-OD1 3.32Å; S253-D271 WeakPolarHBondContact CB-OD1 3.27Å; S253-D271 PolarHBondContact N-OD1 2.81Å; S253-G272 PolarHBondContact OG-N 3.31Å
254D90.5Very high95.7Very high145 Ų14544.8 Ų44.878%0.77526%0.261SS*.THydrogen-bonded Turntrans-58.2138.9168.4-16017.6000110.5H207 S256H207-D254 IonicContact CE1-OD1 2.68Å; H207-D254 IonicContact ND1-OD1 3.38Å; D254-S256 VanDerWaalsContact C-N 3.3Å; D254-S256 PolarHBondContact O-N 2.88Å
255G90.5Very high95.5Very high38 Ų3844.1 Ų44.139%0.39225%0.253SS..THydrogen-bonded Turntrans73.77.4-173.700000116.6S253 R257S253-G255 PolarHBondContact O-N 2.96Å; G255-R257 PolarHBondContact O-N 3.08Å
256S96.8Very high95.5Very high1 Ų140.4 Ų40.41%0.00723%0.233CC..  trans-49.2134.3175.1-85.30000112.8H207 A208 S253 D254 S270H207-S256 WeakPolarHBondContact CB-O 3.45Å; A208-S256 WeakPolarHBondContact CB-O 3.49Å; S253-S256 PolarHBondContact N-OG 2.9Å; S253-S256 WeakPolarHBondContact O-CB 3.42Å; S253-S256 PolarHBondContact O-N 3.08Å; S253-S256 PolarHBondContact O-OG 2.63Å; D254-S256 VanDerWaalsContact C-N 3.3Å; D254-S256 PolarHBondContact O-N 2.88Å; S256-S270 WeakPolarHBondContact CB-O 3.2Å; S256-S270 PolarHBondContact OG-O 3.42Å
257R97.6Very high95.6Very high54 Ų5436.1 Ų36.120%0.20422%0.217CC..  trans-102154.9174.1-59.8-58.9-172.9-150.50109.8G255 I269 S270 T298 L300G255-R257 PolarHBondContact O-N 3.08Å; R257-I269 WeakPolarHBondContact O-CA 3.47Å; R257-S270 WeakPolarHBondContact CB-OG 3.12Å; R257-S270 PolarHBondContact N-OG 3.08Å; R257-S270 PolarHBondContact O-N 3.23Å; R257-T298 PolarHBondContact NE-O 2.53Å; R257-L300 HydrophobicContact CB-CB 3.91Å
258V98.3Very high95.6Very high6 Ų633.2 Ų33.24%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-135.6142.2172.365.10000109.3A208 F209 V219 V221 V267 A268 I269A208-V258 HydrophobicContact CB-CG1 4Å; F209-V258 VanDerWaalsContact CA-CG1 3.47Å; V219-V258 HydrophobicContact CB-CG2 4.37Å; V219-V258 HydrophobicContact CG1-CB 4.49Å; V219-V258 HydrophobicContact CG1-CG1 4.15Å; V219-V258 HydrophobicContact CG1-CG2 3.53Å; V219-V258 HydrophobicContact CG2-CG2 3.91Å; V221-V258 HydrophobicContact CB-CB 4.15Å; V221-V258 HydrophobicContact CB-CG1 4.44Å; V221-V258 HydrophobicContact CG1-CB 3.72Å; V221-V258 HydrophobicContact CG1-CG1 3.86Å; V258-V267 HydrophobicContact CG2-CG1 3.83Å; V258-A268 CarbonylContact C-O 3.58Å; V258-A268 VanDerWaalsContact CA-O 3.29Å; V258-A268 WeakPolarHBondContact CA-O 3.13Å; V258-I269 HydrophobicContact CB-CG1 4.24Å; V258-I269 HydrophobicContact CG2-CG1 3.74Å
259A98.2Very high95.6Very high0 Ų032.6 Ų32.60%020%0.196CC..EExtended strand (participates in β ladder)trans-130.8133.3172.700000109.6D210 V267 A268 L300 F302D210-A259 WeakPolarHBondContact OD2-CA 3.34Å; A259-V267 WeakPolarHBondContact O-CA 3.26Å; A259-A268 PolarHBondContact N-O 2.89Å; A259-A268 PolarHBondContact O-N 3.23Å; A259-L300 HydrophobicContact CB-CD2 4.48Å; A259-L300 HydrophobicContact CB-CG 4.14Å; A259-L300 WeakPolarHBondContact CB-O 3.14Å; A259-F302 HydrophobicContact CB-CD2 3.81Å; A259-F302 HydrophobicContact CB-CE2 4.06Å
260L98.2Very high95.6Very high4 Ų427.6 Ų27.62%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-99.1131.2170.3-176.856.1000108D210 R217 V219 L229 V267 T280D210-L260 HydrophobicContact CB-CB 4.36Å; D210-L260 PolarHBondContact OD2-N 2.98Å; R217-L260 HydrophobicContact CB-CD2 4.15Å; V219-L260 HydrophobicContact CG1-CB 3.77Å; L229-L260 HydrophobicContact CD1-CD2 4.38Å; L260-V267 HydrophobicContact CD1-CG2 3.62Å; L260-T280 HydrophobicContact CD1-CG2 3.76Å
261S97.2Very high95.6Very high0 Ų028.6 Ų28.60%017%0.167CC..  trans-60142173.862.60000109.7D263 G264 R265 V266S261-D263 VanDerWaalsContact CB-OD1 3.31Å; S261-D263 WeakPolarHBondContact CB-OD1 3.22Å; S261-D263 PolarHBondContact O-N 3.01Å; S261-D263 PolarHBondContact OG-OD1 2.77Å; S261-G264 WeakPolarHBondContact O-CA 3.39Å; S261-G264 PolarHBondContact O-N 3.24Å; S261-R265 PolarHBondContact OG-N 3.4Å; S261-R265 VanDerWaalsContact OG-N 3.15Å; S261-V266 PolarHBondContact N-O 3Å; S261-V266 PolarHBondContact OG-N 3.01Å; S261-V266 PolarHBondContact OG-O 2.77Å
262P94.3Very high95.6Very high25 Ų2526.1 Ų26.116%0.16215%0.154CC..THydrogen-bonded Turntrans-50.5-34179.8-33.433.3000114.8N213 G264 F302 D303 I304 S306N213-P262 HydrophobicContact CB-CB 3.87Å; N213-P262 WeakPolarHBondContact CB-O 3.25Å; N213-P262 PolarHBondContact N-O 3.38Å; P262-G264 VanDerWaalsContact C-N 3.28Å; P262-G264 PolarHBondContact O-N 3.13Å; P262-F302 HydrophobicContact CG-CB 4.49Å; P262-D303 VanDerWaalsContact CG-O 3.23Å; P262-D303 WeakPolarHBondContact CG-O 3.34Å; P262-I304 WeakPolarHBondContact CB-O 3.24Å; P262-S306 WeakPolarHBondContact CB-OG 3.48Å; P262-S306 WeakPolarHBondContact CD-OG 3.35Å
263D92.1Very high95.8Very high69 Ų6926.7 Ų26.737%0.36916%0.158SC..THydrogen-bonded Turntrans-79.2-3.7175.870.6-3.6000114.7S261 R265 S306S261-D263 VanDerWaalsContact CB-OD1 3.31Å; S261-D263 WeakPolarHBondContact CB-OD1 3.22Å; S261-D263 PolarHBondContact O-N 3.01Å; S261-D263 PolarHBondContact OG-OD1 2.77Å; D263-R265 VanDerWaalsContact C-N 3.3Å; D263-R265 PolarHBondContact O-N 2.97Å; D263-R265 WeakPolarHBondContact OD1-CB 3.35Å; D263-R265 PolarHBondContact OD1-N 3.47Å; D263-R265 VanDerWaalsContact OD1-N 3.11Å; D263-R265 WeakPolarHBondContact OD2-CD 3.4Å; D263-R265 IonicContact OD2-NH1 3.67Å; D263-S306 PolarHBondContact N-OG 2.83Å
264G94.4Very high95.9Very high3 Ų326.5 Ų26.53%0.03115%0.154CC..SBendtrans72.414.8176.800000115.1S261 P262 T280S261-G264 WeakPolarHBondContact O-CA 3.39Å; S261-G264 PolarHBondContact O-N 3.24Å; P262-G264 VanDerWaalsContact C-N 3.28Å; P262-G264 PolarHBondContact O-N 3.13Å; G264-T280 WeakPolarHBondContact O-CB 3.47Å; G264-T280 WeakPolarHBondContact O-CG2 3.23Å; G264-T280 PolarHBondContact O-OG1 2.91Å
265R94.8Very high96.2Very high64 Ų6419.6 Ų19.624%0.24212%0.117CC..SBendtrans-92.1-26-175.3-73.1-175.8165.3140.2-2.4115.1S261 D263 T280 V328 D332S261-R265 PolarHBondContact OG-N 3.4Å; S261-R265 VanDerWaalsContact OG-N 3.15Å; D263-R265 VanDerWaalsContact C-N 3.3Å; D263-R265 PolarHBondContact O-N 2.97Å; D263-R265 WeakPolarHBondContact OD1-CB 3.35Å; D263-R265 PolarHBondContact OD1-N 3.47Å; D263-R265 VanDerWaalsContact OD1-N 3.11Å; D263-R265 WeakPolarHBondContact OD2-CD 3.4Å; D263-R265 IonicContact OD2-NH1 3.67Å; R265-T280 VanDerWaalsContact CA-OG1 3.27Å; R265-T280 WeakPolarHBondContact CA-OG1 3.29Å; R265-T280 PolarHBondContact O-N 3.22Å; R265-T280 PolarHBondContact O-OG1 3.16Å; R265-V328 HydrophobicContact CB-CB 4.43Å; R265-V328 HydrophobicContact CB-CG1 3.86Å; R265-V328 HydrophobicContact CG-CG1 4.03Å; R265-D332 IonicContact CZ-OD2 3.7Å; R265-D332 IonicContact NE-OD2 2.75Å; R265-D332 PolarHBondContact NE-OD2 2.99Å; R265-D332 IonicContact NH2-OD2 3.56Å; R265-D332 PolarHBondContact NH2-OD2 3.46Å
266V97.3Very high96.6Very high0 Ų018.7 Ų18.70%011%0.105CC..EExtended strand (participates in β ladder)trans-132.8137.5-172.7-174.80000110.5S261 M277 F278 F302 P324 G325S261-V266 PolarHBondContact N-O 3Å; S261-V266 PolarHBondContact OG-N 3.01Å; S261-V266 PolarHBondContact OG-O 2.77Å; V266-M277 HydrophobicContact CG1-CB 4.37Å; V266-M277 HydrophobicContact CG1-CE 3.51Å; V266-F278 WeakPolarHBondContact CA-O 3.49Å; V266-F302 HydrophobicContact CB-CZ 4.24Å; V266-F302 HydrophobicContact CG1-CZ 3.95Å; V266-P324 HydrophobicContact CG1-CB 4.21Å; V266-P324 HydrophobicContact CG2-CB 4.22Å; V266-G325 VanDerWaalsContact CG2-CA 3.41Å
267V98.3Very high96.6Very high0 Ų018.6 Ų18.60%011%0.105CC..EExtended strand (participates in β ladder)trans-112.3127.4170.8164.50000108.4V219 W227 V258 A259 L260 I269 M277 F278 T280V219-V267 HydrophobicContact CB-CG2 4.14Å; V219-V267 HydrophobicContact CG1-CG2 4.43Å; V219-V267 HydrophobicContact CG2-CB 4.48Å; V219-V267 HydrophobicContact CG2-CG1 3.89Å; V219-V267 HydrophobicContact CG2-CG2 3.68Å; W227-V267 HydrophobicContact CD2-CG1 4.3Å; W227-V267 HydrophobicContact CE3-CG1 4.38Å; W227-V267 HydrophobicContact CE3-CG2 4.47Å; W227-V267 HydrophobicContact CZ3-CG2 4.21Å; V258-V267 HydrophobicContact CG2-CG1 3.83Å; A259-V267 WeakPolarHBondContact O-CA 3.26Å; L260-V267 HydrophobicContact CD1-CG2 3.62Å; V267-I269 HydrophobicContact CG1-CD1 3.86Å; V267-I269 HydrophobicContact CG1-CG1 3.81Å; V267-M277 CarbonylContact O-C 3.55Å; V267-M277 VanDerWaalsContact O-CA 3.3Å; V267-M277 WeakPolarHBondContact O-CA 3.36Å; V267-F278 PolarHBondContact N-O 2.79Å; V267-F278 PolarHBondContact O-N 2.95Å; V267-T280 HydrophobicContact CB-CG2 4.36Å; V267-T280 HydrophobicContact CG2-CG2 3.52Å
268A98.3Very high96.6Very high0 Ų016.7 Ų16.70%010%0.098CC..EExtended strand (participates in β ladder)trans-107.4133.1170.200000109.1V258 A259 V275 A276 M277 L300 F302 L309V258-A268 CarbonylContact C-O 3.58Å; V258-A268 VanDerWaalsContact CA-O 3.29Å; V258-A268 WeakPolarHBondContact CA-O 3.13Å; A259-A268 PolarHBondContact N-O 2.89Å; A259-A268 PolarHBondContact O-N 3.23Å; A268-V275 HydrophobicContact CB-CG1 4.34Å; A268-A276 CarbonylContact C-O 3.56Å; A268-A276 WeakPolarHBondContact CA-O 3.48Å; A268-M277 HydrophobicContact CB-CG 4.15Å; A268-L300 HydrophobicContact CB-CD2 3.98Å; A268-L300 HydrophobicContact CB-CG 4.43Å; A268-L300 WeakPolarHBondContact O-CD2 3.38Å; A268-F302 HydrophobicContact CB-CE2 3.84Å; A268-F302 HydrophobicContact CB-CZ 3.94Å; A268-L309 HydrophobicContact CB-CD1 3.88Å; A268-L309 HydrophobicContact CB-CD2 3.73Å; A268-L309 HydrophobicContact CB-CG 4.48Å
269I98.4Very high96.5Very high2 Ų216.4 Ų16.41%0.0110%0.096CC..EExtended strand (participates in β ladder)trans-127.5133.9180-68.1164.5000108.4V221 W227 C250 R257 V258 V267 V275 A276 F278V221-I269 HydrophobicContact CG2-CD1 4.35Å; V221-I269 HydrophobicContact CG2-CG2 3.91Å; W227-I269 HydrophobicContact CB-CD1 3.53Å; W227-I269 HydrophobicContact CD2-CD1 4.27Å; W227-I269 HydrophobicContact CG-CD1 3.4Å; C250-I269 HydrophobicContact CB-CD1 4.41Å; R257-I269 WeakPolarHBondContact O-CA 3.47Å; V258-I269 HydrophobicContact CB-CG1 4.24Å; V258-I269 HydrophobicContact CG2-CG1 3.74Å; V267-I269 HydrophobicContact CG1-CD1 3.86Å; V267-I269 HydrophobicContact CG1-CG1 3.81Å; I269-V275 CarbonylContact O-C 3.57Å; I269-V275 WeakPolarHBondContact O-CA 3.49Å; I269-A276 PolarHBondContact N-O 2.93Å; I269-A276 PolarHBondContact O-N 2.71Å; I269-F278 HydrophobicContact CD1-CD2 4.22Å; I269-F278 HydrophobicContact CD1-CE2 4Å
270S97.8Very high96.4Very high2 Ų216.5 Ų16.51%0.01410%0.097CC..EExtended strand (participates in β ladder)trans-90.2142.1168.9670000111.8S256 R257 N274S256-S270 WeakPolarHBondContact CB-O 3.2Å; S256-S270 PolarHBondContact OG-O 3.42Å; R257-S270 WeakPolarHBondContact CB-OG 3.12Å; R257-S270 PolarHBondContact N-OG 3.08Å; R257-S270 PolarHBondContact O-N 3.23Å; S270-N274 VanDerWaalsContact CA-O 3.28Å; S270-N274 WeakPolarHBondContact CA-O 3.47Å
271D95.4Very high96Very high41 Ų4119.7 Ų19.722%0.21912%0.116CC..EExtended strand (participates in β ladder)trans-133.9100.2172.7176.132.2000108S251 S253 C273 N274S251-D271 WeakPolarHBondContact CB-OD2 2.94Å; S253-D271 VanDerWaalsContact CB-OD1 3.32Å; S253-D271 WeakPolarHBondContact CB-OD1 3.27Å; S253-D271 PolarHBondContact N-OD1 2.81Å; D271-C273 PolarHBondContact O-N 3.11Å; D271-N274 PolarHBondContact N-O 2.92Å; D271-N274 WeakPolarHBondContact O-CB 3.39Å; D271-N274 PolarHBondContact O-N 3.19Å
272G95.1Very high95.9Very high27 Ų2722.7 Ų22.728%0.27814%0.135SC..THydrogen-bonded Turntrans53.6-110.8-166.800000111.5S253 G296 I297S253-G272 PolarHBondContact OG-N 3.31Å; G272-G296 WeakPolarHBondContact O-CA 3.07Å; G272-I297 PolarHBondContact O-N 2.83Å
273C95.3Very high95.9Very high43 Ų4322 Ų2229%0.29113%0.133SC..THydrogen-bonded Turntrans-95.41.917957.80000114.6D271 V292 H293D271-C273 PolarHBondContact O-N 3.11Å; C273-V292 WeakPolarHBondContact O-CB 3.5Å; C273-V292 PolarHBondContact O-N 2.96Å; C273-H293 WeakPolarHBondContact CB-O 3.35Å
274N95.9Very high96.1Very high33 Ų3324.6 Ų24.618%0.17614%0.141CC..EExtended strand (participates in β ladder)trans-101.8156.9-177.6-52.4-44.4000110.9S270 D271 L289 R290 G291 I297S270-N274 VanDerWaalsContact CA-O 3.28Å; S270-N274 WeakPolarHBondContact CA-O 3.47Å; D271-N274 PolarHBondContact N-O 2.92Å; D271-N274 WeakPolarHBondContact O-CB 3.39Å; D271-N274 PolarHBondContact O-N 3.19Å; N274-L289 CarbonylContact C-O 3.42Å; N274-L289 VanDerWaalsContact CA-O 3.23Å; N274-L289 WeakPolarHBondContact CA-O 3.43Å; N274-L289 WeakPolarHBondContact CB-O 3.39Å; N274-R290 VanDerWaalsContact OD1-CA 3.24Å; N274-R290 WeakPolarHBondContact OD1-CA 3.4Å; N274-G291 PolarHBondContact OD1-N 2.94Å; N274-I297 WeakPolarHBondContact O-CD1 3.3Å
275V97Very high96.2Very high0 Ų028.3 Ų28.30%016%0.159CC..EExtended strand (participates in β ladder)trans-127.2122.7171.4-179.40000109.4A268 I269 M277 L289 V292 I297 L300 L309A268-V275 HydrophobicContact CB-CG1 4.34Å; I269-V275 CarbonylContact O-C 3.57Å; I269-V275 WeakPolarHBondContact O-CA 3.49Å; V275-M277 HydrophobicContact CG1-CG 4.38Å; V275-L289 HydrophobicContact CB-CB 4.31Å; V275-L289 HydrophobicContact CB-CD1 4.45Å; V275-L289 PolarHBondContact N-O 3.25Å; V275-L289 PolarHBondContact O-N 3.44Å; V275-V292 HydrophobicContact CB-CG2 4.45Å; V275-V292 HydrophobicContact CG2-CG2 4.14Å; V275-I297 HydrophobicContact CG2-CD1 3.24Å; V275-L300 HydrophobicContact CG1-CD1 4.24Å; V275-L300 HydrophobicContact CG2-CD1 4.3Å; V275-L309 HydrophobicContact CG1-CD2 4.03Å
276A97.1Very high96.1Very high18 Ų1827.1 Ų27.115%0.14916%0.156CC..EExtended strand (participates in β ladder)trans-105.8138.1172.700000110.2A268 I269 F278 L285A268-A276 CarbonylContact C-O 3.56Å; A268-A276 WeakPolarHBondContact CA-O 3.48Å; I269-A276 PolarHBondContact N-O 2.93Å; I269-A276 PolarHBondContact O-N 2.71Å; A276-F278 HydrophobicContact CB-CD2 4.49Å; A276-F278 HydrophobicContact CB-CE2 3.57Å; A276-F278 HydrophobicContact CB-CZ 3.96Å; A276-L285 HydrophobicContact CB-CD1 3.86Å
277M97.3Very high95.9Very high0 Ų029 Ų290%017%0.165CC..EExtended strand (participates in β ladder)trans-121.1130.6179.7-61.2-17669.400111.2M1 V266 V267 A268 V275 E286 E287 F302 L309 N322 P324M1-M277 HydrophobicContact CE-CE 3.5Å; M1-M277 VanDerWaalsContact CE-CE 3.5Å; M1-M277 HydrophobicContact CE-SD 3.26Å; M1-M277 WeakPolarHBondContact CE-SD 3.38Å; M1-M277 HydrophobicContact SD-CE 4.33Å; M1-M277 HydrophobicContact SD-SD 3.3Å; V266-M277 HydrophobicContact CG1-CB 4.37Å; V266-M277 HydrophobicContact CG1-CE 3.51Å; V267-M277 CarbonylContact O-C 3.55Å; V267-M277 VanDerWaalsContact O-CA 3.3Å; V267-M277 WeakPolarHBondContact O-CA 3.36Å; A268-M277 HydrophobicContact CB-CG 4.15Å; V275-M277 HydrophobicContact CG1-CG 4.38Å; M277-E286 PolarHBondContact O-N 2.85Å; M277-E287 HydrophobicContact CB-CB 4.34Å; M277-E287 PolarHBondContact N-O 2.53Å; M277-E287 PolarHBondContact O-N 2.84Å; M277-F302 HydrophobicContact CE-CE1 3.97Å; M277-F302 HydrophobicContact CE-CZ 3.77Å; M277-L309 HydrophobicContact CE-CD2 4.07Å; M277-L309 HydrophobicContact CG-CD2 4.33Å; M277-L309 HydrophobicContact SD-CD2 3.77Å; M277-N322 WeakPolarHBondContact CE-OD1 3.48Å; M277-P324 HydrophobicContact CB-CG 4.3Å; M277-P324 HydrophobicContact CE-CB 4.29Å; M277-P324 HydrophobicContact CE-CG 3.88Å; M277-P324 HydrophobicContact SD-CG 4.07Å
278F97.6Very high95.6Very high13 Ų1332.3 Ų32.36%0.05718%0.181CC..EExtended strand (participates in β ladder)trans-122.9146.3-174.5-58.1-97.8000110.9W227 V248 C250 V266 V267 I269 A276 K284 L285W227-F278 AromaticContact CE2-CG 3.94Å; W227-F278 HydrophobicContact CH2-CB 4.35Å; W227-F278 HydrophobicContact CZ2-CB 3.52Å; W227-F278 HydrophobicContact CZ2-CD1 4.16Å; W227-F278 AromaticContact CZ2-CG 3.85Å; W227-F278 HydrophobicContact CZ2-CG 3.85Å; W227-F278 AromaticContact NE1-CD1 3.69Å; W227-F278 AromaticContact NE1-CD2 3.66Å; W227-F278 AromaticContact NE1-CE1 3.87Å; W227-F278 AromaticContact NE1-CE2 3.86Å; W227-F278 AromaticContact NE1-CG 3.58Å; W227-F278 AromaticContact NE1-CZ 3.96Å; V248-F278 HydrophobicContact CG1-CD1 4.41Å; V248-F278 HydrophobicContact CG1-CE1 4.49Å; C250-F278 HydrophobicContact CB-CE2 4.43Å; C250-F278 HydrophobicContact CB-CZ 3.98Å; V266-F278 WeakPolarHBondContact CA-O 3.49Å; V267-F278 PolarHBondContact N-O 2.79Å; V267-F278 PolarHBondContact O-N 2.95Å; I269-F278 HydrophobicContact CD1-CD2 4.22Å; I269-F278 HydrophobicContact CD1-CE2 4Å; A276-F278 HydrophobicContact CB-CD2 4.49Å; A276-F278 HydrophobicContact CB-CE2 3.57Å; A276-F278 HydrophobicContact CB-CZ 3.96Å; F278-K284 VanDerWaalsContact CA-O 3.29Å; F278-K284 WeakPolarHBondContact CA-O 3.41Å; F278-L285 HydrophobicContact CD1-CB 4.04Å; F278-L285 HydrophobicContact CD1-CD1 4.14Å; F278-L285 HydrophobicContact CE1-CB 3.86Å; F278-L285 HydrophobicContact CE1-CD1 3.72Å; F278-L285 HydrophobicContact CE1-CG 4.38Å; F278-L285 HydrophobicContact CE2-CD1 4.14Å; F278-L285 HydrophobicContact CZ-CD1 3.72Å
279D96.4Very high95.4Very high0 Ų033.3 Ų33.30%019%0.186CC..EExtended strand (participates in β ladder)trans-72.9123.6164.1169.4-8.5000109.7T281 T282 G283 K284 E286 V328 R331D279-T281 VanDerWaalsContact C-N 3.3Å; D279-T281 PolarHBondContact O-N 2.92Å; D279-T281 WeakPolarHBondContact OD1-CA 3.38Å; D279-T281 WeakPolarHBondContact OD1-CB 3.31Å; D279-T281 PolarHBondContact OD1-N 3.1Å; D279-T282 WeakPolarHBondContact CB-OG1 3.35Å; D279-T282 PolarHBondContact OD1-N 2.91Å; D279-T282 VanDerWaalsContact OD1-N 3.16Å; D279-T282 VanDerWaalsContact OD2-CG2 3.27Å; D279-T282 WeakPolarHBondContact OD2-CG2 3.27Å; D279-T282 PolarHBondContact OD2-OG1 3.22Å; D279-G283 WeakPolarHBondContact O-CA 3.45Å; D279-G283 PolarHBondContact O-N 2.82Å; D279-K284 PolarHBondContact N-O 2.96Å; D279-E286 HydrophobicContact CB-CG 4.05Å; D279-V328 HydrophobicContact CB-CG2 4.05Å; D279-R331 IonicContact OD1-NH2 3.41Å; D279-R331 IonicContact OD2-CZ 3.36Å; D279-R331 IonicContact OD2-NH1 2.83Å; D279-R331 PolarHBondContact OD2-NH1 3.43Å; D279-R331 IonicContact OD2-NH2 2.99Å; D279-R331 PolarHBondContact OD2-NH2 2.89Å
280T95.4Very high95.2Very high2 Ų241.4 Ų41.41%0.01222%0.216CC..THydrogen-bonded Turntrans-66.9-31.9-177.754.50000113.4R246 L260 G264 R265 V267R246-T280 PolarHBondContact NE-O 3.48Å; L260-T280 HydrophobicContact CD1-CG2 3.76Å; G264-T280 WeakPolarHBondContact O-CB 3.47Å; G264-T280 WeakPolarHBondContact O-CG2 3.23Å; G264-T280 PolarHBondContact O-OG1 2.91Å; R265-T280 VanDerWaalsContact CA-OG1 3.27Å; R265-T280 WeakPolarHBondContact CA-OG1 3.29Å; R265-T280 PolarHBondContact O-N 3.22Å; R265-T280 PolarHBondContact O-OG1 3.16Å; V267-T280 HydrophobicContact CB-CG2 4.36Å; V267-T280 HydrophobicContact CG2-CG2 3.52Å
281T91.7Very high94.9Very high71 Ų7143.7 Ų43.744%0.43624%0.24SC..THydrogen-bonded Turntrans-78.4-43.6-174.3-610000110.6R246 D279R246-T281 PolarHBondContact NE-O 3.25Å; R246-T281 PolarHBondContact NH2-O 2.94Å; D279-T281 VanDerWaalsContact C-N 3.3Å; D279-T281 PolarHBondContact O-N 2.92Å; D279-T281 WeakPolarHBondContact OD1-CA 3.38Å; D279-T281 WeakPolarHBondContact OD1-CB 3.31Å; D279-T281 PolarHBondContact OD1-N 3.1Å
282T93.6Very high94.7Very high63 Ų6342.2 Ų42.239%0.38723%0.232SC..THydrogen-bonded Turntrans-95-25.9-177.765.40000113.1R246 D279 K284R246-T282 PolarHBondContact NH1-O 2.84Å; D279-T282 WeakPolarHBondContact CB-OG1 3.35Å; D279-T282 PolarHBondContact OD1-N 2.91Å; D279-T282 VanDerWaalsContact OD1-N 3.16Å; D279-T282 VanDerWaalsContact OD2-CG2 3.27Å; D279-T282 WeakPolarHBondContact OD2-CG2 3.27Å; D279-T282 PolarHBondContact OD2-OG1 3.22Å; T282-K284 VanDerWaalsContact OG1-CB 3.3Å; T282-K284 WeakPolarHBondContact OG1-CB 3.26Å; T282-K284 PolarHBondContact OG1-N 2.97Å
283G95.1Very high94.6Very high11 Ų1141.1 Ų41.111%0.11322%0.22CC..  trans76.97.1-169.700000113.9V248 D279V248-G283 VanDerWaalsContact CG1-O 3.27Å; V248-G283 WeakPolarHBondContact CG1-O 3.19Å; D279-G283 WeakPolarHBondContact O-CA 3.45Å; D279-G283 PolarHBondContact O-N 2.82Å
284K95.5Very high94.5Very high124 Ų12443.8 Ų43.854%0.53924%0.239SC..  trans-74.1137-178.4-172.6-172.8164.5-148.30110.4F278 D279 T282 E286F278-K284 VanDerWaalsContact CA-O 3.29Å; F278-K284 WeakPolarHBondContact CA-O 3.41Å; D279-K284 PolarHBondContact N-O 2.96Å; T282-K284 VanDerWaalsContact OG1-CB 3.3Å; T282-K284 WeakPolarHBondContact OG1-CB 3.26Å; T282-K284 PolarHBondContact OG1-N 2.97Å; K284-E286 IonicContact NZ-OE1 2.8Å; K284-E286 PolarHBondContact NZ-OE1 2.8Å; K284-E286 PolarHBondContact O-N 2.82Å
285L96Very high94.4Very high80 Ų8046.6 Ų46.642%0.41925%0.251SS..EExtended strand (participates in β ladder)trans-66.6117.6166.4-179.168.8000109A276 F278 E287A276-L285 HydrophobicContact CB-CD1 3.86Å; F278-L285 HydrophobicContact CD1-CB 4.04Å; F278-L285 HydrophobicContact CD1-CD1 4.14Å; F278-L285 HydrophobicContact CE1-CB 3.86Å; F278-L285 HydrophobicContact CE1-CD1 3.72Å; F278-L285 HydrophobicContact CE1-CG 4.38Å; F278-L285 HydrophobicContact CE2-CD1 4.14Å; F278-L285 HydrophobicContact CZ-CD1 3.72Å; L285-E287 WeakPolarHBondContact CD1-O 3.42Å
286E94.1Very high94.3Very high39 Ų3948.6 Ų48.618%0.18227%0.272CS..EExtended strand (participates in β ladder)trans-96.5-39.3-179.6-76.3-65.2139.300111.8M277 D279 K284 P324M277-E286 PolarHBondContact O-N 2.85Å; D279-E286 HydrophobicContact CB-CG 4.05Å; K284-E286 IonicContact NZ-OE1 2.8Å; K284-E286 PolarHBondContact NZ-OE1 2.8Å; K284-E286 PolarHBondContact O-N 2.82Å; E286-P324 HydrophobicContact CB-CB 4.06Å; E286-P324 HydrophobicContact CB-CG 4.3Å
287E91.9Very high94.3Very high39 Ų3948.2 Ų48.218%0.18227%0.267CS..EExtended strand (participates in β ladder)trans-148.2148.8-179-66.3-78.6171.900110.6M1 M277 L285 P324 R327M1-E287 HydrophobicContact CB-CG 4.47Å; M1-E287 VanDerWaalsContact N-CD 3.32Å; M1-E287 PolarHBondContact N-OE2 3.42Å; M277-E287 HydrophobicContact CB-CB 4.34Å; M277-E287 PolarHBondContact N-O 2.53Å; M277-E287 PolarHBondContact O-N 2.84Å; L285-E287 WeakPolarHBondContact CD1-O 3.42Å; E287-P324 HydrophobicContact CB-CG 4.27Å; E287-P324 HydrophobicContact CG-CG 3.63Å; E287-R327 IonicContact OE1-CZ 2.64Å; E287-R327 IonicContact OE1-NH1 3.15Å; E287-R327 PolarHBondContact OE1-NH1 2.99Å; E287-R327 IonicContact OE1-NH2 3.56Å; E287-R327 PolarHBondContact OE1-NH2 2.92Å
288E93.7Very high94.2Very high70 Ų7050.4 Ų50.433%0.32728%0.281SS..EExtended strand (participates in β ladder)trans-135121.9171.7-170.4-174.1-174.500109.2R290E288-R290 VanDerWaalsContact CD-CZ 3.49Å; E288-R290 HydrophobicContact CG-CG 4.26Å; E288-R290 IonicContact OE1-CZ 3.34Å; E288-R290 IonicContact OE1-NE 3.3Å; E288-R290 PolarHBondContact OE1-NE 3.24Å; E288-R290 IonicContact OE1-NH1 3.89Å; E288-R290 IonicContact OE1-NH2 2.73Å; E288-R290 PolarHBondContact OE1-NH2 3.15Å; E288-R290 IonicContact OE2-CZ 3.72Å; E288-R290 IonicContact OE2-NE 2.89Å; E288-R290 PolarHBondContact OE2-NE 2.86Å; E288-R290 IonicContact OE2-NH2 3.12Å; E288-R290 PolarHBondContact OE2-NH2 3.16Å
289L92.8Very high94.2Very high21 Ų2150 Ų5011%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-103.6115.6177.7-53.1177.4000108M1 N274 V275 V292 F320M1-L289 HydrophobicContact CB-CD2 4Å; M1-L289 HydrophobicContact SD-CD1 4.04Å; N274-L289 CarbonylContact C-O 3.42Å; N274-L289 VanDerWaalsContact CA-O 3.23Å; N274-L289 WeakPolarHBondContact CA-O 3.43Å; N274-L289 WeakPolarHBondContact CB-O 3.39Å; V275-L289 HydrophobicContact CB-CB 4.31Å; V275-L289 HydrophobicContact CB-CD1 4.45Å; V275-L289 PolarHBondContact N-O 3.25Å; V275-L289 PolarHBondContact O-N 3.44Å; L289-V292 HydrophobicContact CB-CG2 3.41Å; L289-V292 VanDerWaalsContact CB-CG2 3.41Å; L289-V292 WeakPolarHBondContact O-CG2 3.35Å; L289-F320 HydrophobicContact CD1-CD1 3.77Å; L289-F320 HydrophobicContact CD1-CD2 4.13Å; L289-F320 HydrophobicContact CD1-CE1 3.74Å; L289-F320 HydrophobicContact CD1-CE2 4.11Å; L289-F320 HydrophobicContact CD1-CG 3.96Å; L289-F320 HydrophobicContact CD1-CZ 3.92Å
290R93.9Very high94.2Very high173 Ų17350.3 Ų50.365%0.65328%0.281SS*.  trans-101.8138.9-176.3-65.8179.1177.3-98.2-2111.1N274 E288 V292N274-R290 VanDerWaalsContact OD1-CA 3.24Å; N274-R290 WeakPolarHBondContact OD1-CA 3.4Å; E288-R290 VanDerWaalsContact CD-CZ 3.49Å; E288-R290 HydrophobicContact CG-CG 4.26Å; E288-R290 IonicContact OE1-CZ 3.34Å; E288-R290 IonicContact OE1-NE 3.3Å; E288-R290 PolarHBondContact OE1-NE 3.24Å; E288-R290 IonicContact OE1-NH1 3.89Å; E288-R290 IonicContact OE1-NH2 2.73Å; E288-R290 PolarHBondContact OE1-NH2 3.15Å; E288-R290 IonicContact OE2-CZ 3.72Å; E288-R290 IonicContact OE2-NE 2.89Å; E288-R290 PolarHBondContact OE2-NE 2.86Å; E288-R290 IonicContact OE2-NH2 3.12Å; E288-R290 PolarHBondContact OE2-NH2 3.16Å; R290-V292 VanDerWaalsContact C-N 3.31Å; R290-V292 PolarHBondContact O-N 3.38Å
291G91.9Very high94.3Very high49 Ų4952.5 Ų52.551%0.50529%0.289SS..SBendtrans59.940.5178.500000113N274 H293N274-G291 PolarHBondContact OD1-N 2.94Å; G291-H293 VanDerWaalsContact C-N 3.3Å; G291-H293 PolarHBondContact O-N 2.79Å
292V92.3Very high94.6Very high10 Ų1049.9 Ų49.96%0.06127%0.271CS..  trans-62.5-40.4-177.3-177.50000111C273 V275 L289 R290 R318 F320C273-V292 WeakPolarHBondContact O-CB 3.5Å; C273-V292 PolarHBondContact O-N 2.96Å; V275-V292 HydrophobicContact CB-CG2 4.45Å; V275-V292 HydrophobicContact CG2-CG2 4.14Å; L289-V292 HydrophobicContact CB-CG2 3.41Å; L289-V292 VanDerWaalsContact CB-CG2 3.41Å; L289-V292 WeakPolarHBondContact O-CG2 3.35Å; R290-V292 VanDerWaalsContact C-N 3.31Å; R290-V292 PolarHBondContact O-N 3.38Å; V292-R318 HydrophobicContact CG1-CB 4.47Å; V292-R318 WeakPolarHBondContact O-CD 3.24Å; V292-R318 PolarHBondContact O-NE 2.95Å; V292-R318 PolarHBondContact O-NH1 3.38Å; V292-R318 VanDerWaalsContact O-NH1 3.11Å; V292-F320 HydrophobicContact CG1-CE2 3.81Å; V292-F320 HydrophobicContact CG1-CZ 3.65Å
293H93.2Very high94.7Very high5 Ų546.9 Ų46.92%0.02325%0.253CS..SBendtrans-123.5159.3173.4-68.9-91.1000110.4C273 G291 Q295 C311 G313 D314 A316 R318C273-H293 WeakPolarHBondContact CB-O 3.35Å; G291-H293 VanDerWaalsContact C-N 3.3Å; G291-H293 PolarHBondContact O-N 2.79Å; H293-Q295 WeakPolarHBondContact CB-O 3.44Å; H293-Q295 PolarHBondContact O-N 3.24Å; H293-C311 PolarHBondContact NE2-SG 3.33Å; H293-G313 PolarHBondContact ND1-N 2.91Å; H293-D314 WeakPolarHBondContact CA-OD2 3.45Å; H293-D314 HydrophobicContact CB-CB 4.47Å; H293-D314 IonicContact CE1-OD1 3.17Å; H293-D314 IonicContact CG-OD1 3.82Å; H293-D314 IonicContact CG-OD2 3.26Å; H293-D314 PolarHBondContact ND1-N 3Å; H293-D314 IonicContact ND1-OD1 3.75Å; H293-D314 PolarHBondContact ND1-OD1 2.7Å; H293-D314 IonicContact ND1-OD2 3.46Å; H293-D314 PolarHBondContact ND1-OD2 2.89Å; H293-A316 PolarHBondContact CE1-O 2.84Å; H293-A316 VanDerWaalsContact CE1-O 3.26Å; H293-R318 PolarHBondContact CE1-NH1 2.82Å; H293-R318 PolarHBondContact ND1-NH1 3.32Å
294S92Very high94.5Very high98 Ų9848.9 Ų48.969%0.68526%0.261SS*.SBendtrans-73.5-12.9174.164.10000113.5D314S294-D314 PolarHBondContact N-OD2 2.78Å; S294-D314 VanDerWaalsContact N-OD2 3.14Å; S294-D314 WeakPolarHBondContact OG-CB 3.18Å
295Q93.6Very high94.3Very high92 Ų9247.4 Ų47.443%0.4326%0.258SS..SBendtrans-131.4171.9-178.3-75.9178.77100109.3H293 G313H293-Q295 WeakPolarHBondContact CB-O 3.44Å; H293-Q295 PolarHBondContact O-N 3.24Å; Q295-G313 VanDerWaalsContact CB-O 3.25Å; Q295-G313 WeakPolarHBondContact CB-O 3.48Å
296G95Very high94.2Very high43 Ų4344.2 Ų44.244%0.44324%0.243SC..  trans-59141.1177.100000112G272 T298 G313G272-G296 WeakPolarHBondContact O-CA 3.07Å; G296-T298 PolarHBondContact O-N 3.37Å; G296-G313 VanDerWaalsContact O-CA 3.29Å; G296-G313 WeakPolarHBondContact O-CA 3.23Å
297I96.8Very high93.9Very high10 Ų1046.7 Ų46.75%0.05125%0.25CS..  trans-67.3122.9-179.1-69.7175000109.9G272 N274 V275 D299 L300 C311 S312G272-I297 PolarHBondContact O-N 2.83Å; N274-I297 WeakPolarHBondContact O-CD1 3.3Å; V275-I297 HydrophobicContact CG2-CD1 3.24Å; I297-D299 WeakPolarHBondContact CG2-O 3.26Å; I297-L300 HydrophobicContact CG2-CB 4.34Å; I297-C311 HydrophobicContact CG2-CB 4.41Å; I297-S312 CarbonylContact C-O 3.52Å; I297-S312 VanDerWaalsContact CA-O 3.24Å; I297-S312 WeakPolarHBondContact CA-O 3.35Å; I297-S312 WeakPolarHBondContact CG2-O 3.47Å
298T96.1Very high94Very high46 Ų4645.1 Ų45.128%0.28224%0.243SC..  trans-86.6-38.7-177.650.50000112.2V17 R257 G296 S312V17-T298 PolarHBondContact O-OG1 2.7Å; R257-T298 PolarHBondContact NE-O 2.53Å; G296-T298 PolarHBondContact O-N 3.37Å; T298-S312 PolarHBondContact N-O 2.88Å; T298-S312 PolarHBondContact OG1-O 3.05Å; T298-S312 PolarHBondContact OG1-OG 3.21Å
299D97.1Very high94.1Very high5 Ų541.8 Ų41.83%0.02723%0.228CC..EExtended strand (participates in β ladder)trans-145.2149.5179.4-150.8-15.4000110.9C19 L20 I297 R301 C311 S312C19-D299 PolarHBondContact SG-OD2 2.98Å; L20-D299 HydrophobicContact CB-CB 4.43Å; L20-D299 HydrophobicContact CG-CB 4.43Å; L20-D299 PolarHBondContact N-OD2 3.18Å; L20-D299 VanDerWaalsContact O-OD2 3.13Å; I297-D299 WeakPolarHBondContact CG2-O 3.26Å; D299-R301 IonicContact OD1-NE 3.39Å; D299-R301 PolarHBondContact OD1-NE 2.69Å; D299-R301 IonicContact OD2-NE 2.77Å; D299-C311 VanDerWaalsContact O-CA 3.26Å; D299-C311 WeakPolarHBondContact O-CA 3.44Å; D299-S312 WeakPolarHBondContact CB-OG 3.4Å; D299-S312 PolarHBondContact N-OG 3.2Å; D299-S312 PolarHBondContact O-N 2.93Å
300L97.4Very high94.3Very high5 Ų540.8 Ų40.83%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-149.8117.7-175.5-179.168000108.5R257 A259 A268 V275 I297 L309 A310 C311R257-L300 HydrophobicContact CB-CB 3.91Å; A259-L300 HydrophobicContact CB-CD2 4.48Å; A259-L300 HydrophobicContact CB-CG 4.14Å; A259-L300 WeakPolarHBondContact CB-O 3.14Å; A268-L300 HydrophobicContact CB-CD2 3.98Å; A268-L300 HydrophobicContact CB-CG 4.43Å; A268-L300 WeakPolarHBondContact O-CD2 3.38Å; V275-L300 HydrophobicContact CG1-CD1 4.24Å; V275-L300 HydrophobicContact CG2-CD1 4.3Å; I297-L300 HydrophobicContact CG2-CB 4.34Å; L300-L309 HydrophobicContact CD1-CD1 3.66Å; L300-L309 HydrophobicContact CD1-CD2 4.17Å; L300-L309 HydrophobicContact CD1-CG 4Å; L300-L309 HydrophobicContact CG-CD1 4.15Å; L300-A310 WeakPolarHBondContact CA-O 3.33Å; L300-C311 HydrophobicContact CD1-CB 3.75Å
301R97.4Very high94.4Very high48 Ų4832.6 Ų32.618%0.18119%0.191CC..EExtended strand (participates in β ladder)trans-149.8144.2-174.8-62.5-171.8179.4-128.6-21.8112.9L20 D21 R67 Y158 D299 A310L20-R301 WeakPolarHBondContact O-CD 3.3Å; L20-R301 PolarHBondContact O-NE 2.91Å; D21-R301 IonicContact OD1-CZ 3.24Å; D21-R301 IonicContact OD1-NH1 3.61Å; D21-R301 PolarHBondContact OD1-NH1 2.82Å; R67-R301 VanDerWaalsContact CZ-CZ 3.49Å; Y158-R301 PolarHBondContact OH-NH2 3.19Å; D299-R301 IonicContact OD1-NE 3.39Å; D299-R301 PolarHBondContact OD1-NE 2.69Å; D299-R301 IonicContact OD2-NE 2.77Å; R301-A310 PolarHBondContact N-O 3.38Å; R301-A310 PolarHBondContact O-N 2.68Å
302F97.1Very high94.6Very high16 Ų1630.2 Ų30.27%0.0717%0.167CC..EExtended strand (participates in β ladder)trans-83.8151166.8-74.8-81.9000111.4F22 A259 P262 V266 A268 M277 F308 L309 N322F22-F302 WeakPolarHBondContact CD2-O 3.44Å; A259-F302 HydrophobicContact CB-CD2 3.81Å; A259-F302 HydrophobicContact CB-CE2 4.06Å; P262-F302 HydrophobicContact CG-CB 4.49Å; V266-F302 HydrophobicContact CB-CZ 4.24Å; V266-F302 HydrophobicContact CG1-CZ 3.95Å; A268-F302 HydrophobicContact CB-CE2 3.84Å; A268-F302 HydrophobicContact CB-CZ 3.94Å; M277-F302 HydrophobicContact CE-CE1 3.97Å; M277-F302 HydrophobicContact CE-CZ 3.77Å; F302-F308 CarbonylContact C-O 3.56Å; F302-F308 VanDerWaalsContact CA-O 3.27Å; F302-F308 WeakPolarHBondContact CA-O 3.44Å; F302-F308 WeakPolarHBondContact CD1-O 3.47Å; F302-L309 HydrophobicContact CD1-CB 4.1Å; F302-L309 HydrophobicContact CD1-CD1 4.1Å; F302-L309 HydrophobicContact CD2-CD1 4.06Å; F302-L309 HydrophobicContact CE1-CB 3.91Å; F302-L309 HydrophobicContact CE1-CD1 3.99Å; F302-L309 HydrophobicContact CE1-CG 4.41Å; F302-L309 HydrophobicContact CE2-CD1 3.96Å; F302-L309 HydrophobicContact CG-CD1 4.14Å; F302-L309 HydrophobicContact CZ-CD1 3.93Å; F302-N322 HydrophobicContact CE1-CB 4.16Å
303D94.9Very high94.6Very high0 Ų029.9 Ų29.90%017%0.165CC..  trans-70.4156.3165.788-63.7000110.7F22 P262 N305 S306 R307 F308F22-D303 HydrophobicContact CD1-CB 3.91Å; F22-D303 HydrophobicContact CD2-CB 4.16Å; F22-D303 HydrophobicContact CE1-CB 3.7Å; F22-D303 HydrophobicContact CE2-CB 3.96Å; F22-D303 HydrophobicContact CG-CB 4.13Å; F22-D303 HydrophobicContact CZ-CB 3.72Å; P262-D303 VanDerWaalsContact CG-O 3.23Å; P262-D303 WeakPolarHBondContact CG-O 3.34Å; D303-N305 PolarHBondContact O-N 3.32Å; D303-N305 WeakPolarHBondContact OD2-CB 3.3Å; D303-N305 PolarHBondContact OD2-N 3.11Å; D303-N305 VanDerWaalsContact OD2-N 3.15Å; D303-N305 PolarHBondContact OD2-ND2 3.12Å; D303-S306 PolarHBondContact O-N 2.81Å; D303-S306 PolarHBondContact OD1-N 2.75Å; D303-R307 WeakPolarHBondContact OD1-CA 3.4Å; D303-R307 PolarHBondContact OD1-N 2.89Å; D303-R307 IonicContact OD2-NE 3.57Å; D303-F308 HydrophobicContact CB-CB 4.24Å; D303-F308 HydrophobicContact CB-CD2 4.49Å; D303-F308 PolarHBondContact N-O 3.31Å; D303-F308 PolarHBondContact OD1-N 3.02Å
304I92.3Very high94.6Very high54 Ų5430.3 Ų30.328%0.27717%0.168SC..THydrogen-bonded Turntrans-56.6-23.7-176.3-162.463.5000114G26 N213 P262G26-I304 VanDerWaalsContact CA-CG2 3.41Å; N213-I304 VanDerWaalsContact OD1-CD1 3.29Å; N213-I304 WeakPolarHBondContact OD1-CD1 3.35Å; P262-I304 WeakPolarHBondContact CB-O 3.24Å
305N91Very high94.6Very high92 Ų9230.9 Ų30.949%0.49216%0.158SC..THydrogen-bonded Turntrans-96.17.5179.3-53.2-72.5000113.5D303 R307D303-N305 PolarHBondContact O-N 3.32Å; D303-N305 WeakPolarHBondContact OD2-CB 3.3Å; D303-N305 PolarHBondContact OD2-N 3.11Å; D303-N305 VanDerWaalsContact OD2-N 3.15Å; D303-N305 PolarHBondContact OD2-ND2 3.12Å; N305-R307 HydrophobicContact CB-CG 3.97Å; N305-R307 PolarHBondContact O-N 2.93Å; N305-R307 VanDerWaalsContact O-N 3.15Å
306S92.8Very high94.5Very high13 Ų1326.8 Ų26.89%0.09114%0.14CC..SBendtrans57.523.3-178.7-51.30000114.9P262 D263 D303 N322P262-S306 WeakPolarHBondContact CB-OG 3.48Å; P262-S306 WeakPolarHBondContact CD-OG 3.35Å; D263-S306 PolarHBondContact N-OG 2.83Å; D303-S306 PolarHBondContact O-N 2.81Å; D303-S306 PolarHBondContact OD1-N 2.75Å; S306-N322 VanDerWaalsContact O-CB 3.24Å; S306-N322 WeakPolarHBondContact O-CB 3.37Å; S306-N322 PolarHBondContact O-ND2 3.31Å
307R89.4Confident94.4Very high91 Ų9124.7 Ų24.734%0.34312%0.119SC..SBendtrans-87.9-31.2179.1-61.3-174.4-60.8176.24.4112.8D303 N305 N322D303-R307 WeakPolarHBondContact OD1-CA 3.4Å; D303-R307 PolarHBondContact OD1-N 2.89Å; D303-R307 IonicContact OD2-NE 3.57Å; N305-R307 HydrophobicContact CB-CG 3.97Å; N305-R307 PolarHBondContact O-N 2.93Å; N305-R307 VanDerWaalsContact O-N 3.15Å; R307-N322 PolarHBondContact O-N 3.05Å
308F92.9Very high94.2Very high6 Ų626.6 Ų26.63%0.02613%0.125CC..EExtended strand (participates in β ladder)trans-132.5144.4-169.9-61.2-61.7000111.6F46 L47 F302 D303 V319 F320 H321F46-F308 HydrophobicContact CD2-CD2 4.11Å; F46-F308 HydrophobicContact CD2-CE2 4.15Å; F46-F308 HydrophobicContact CD2-CG 4.46Å; L47-F308 HydrophobicContact CD2-CE1 4Å; L47-F308 HydrophobicContact CD2-CZ 4.05Å; L47-F308 HydrophobicContact CG-CZ 4.37Å; F302-F308 CarbonylContact C-O 3.56Å; F302-F308 VanDerWaalsContact CA-O 3.27Å; F302-F308 WeakPolarHBondContact CA-O 3.44Å; F302-F308 WeakPolarHBondContact CD1-O 3.47Å; D303-F308 HydrophobicContact CB-CB 4.24Å; D303-F308 HydrophobicContact CB-CD2 4.49Å; D303-F308 PolarHBondContact N-O 3.31Å; D303-F308 PolarHBondContact OD1-N 3.02Å; F308-V319 HydrophobicContact CB-CG1 3.59Å; F308-V319 HydrophobicContact CD1-CG1 4.06Å; F308-V319 HydrophobicContact CG-CG1 4Å; F308-F320 CarbonylContact C-O 3.51Å; F308-F320 VanDerWaalsContact CA-O 3.25Å; F308-F320 WeakPolarHBondContact CA-O 3.48Å; F308-H321 AromaticContact CD1-ND1 3.8Å; F308-H321 AromaticContact CE1-CE1 3.41Å; F308-H321 VanDerWaalsContact CE1-CE1 3.41Å; F308-H321 WeakPolarHBondContact CE1-CE1 3.32Å; F308-H321 AromaticContact CE1-ND1 3.39Å; F308-H321 WeakPolarHBondContact CE1-ND1 3.36Å
309L95.8Very high94.1Very high1 Ų124.4 Ų24.41%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-112.9119.1167.1178.264.5000107.9M1 A268 V275 M277 L300 F302 V319 F320M1-L309 HydrophobicContact CE-CB 4.05Å; M1-L309 HydrophobicContact CE-CD2 4.3Å; A268-L309 HydrophobicContact CB-CD1 3.88Å; A268-L309 HydrophobicContact CB-CD2 3.73Å; A268-L309 HydrophobicContact CB-CG 4.48Å; V275-L309 HydrophobicContact CG1-CD2 4.03Å; M277-L309 HydrophobicContact CE-CD2 4.07Å; M277-L309 HydrophobicContact CG-CD2 4.33Å; M277-L309 HydrophobicContact SD-CD2 3.77Å; L300-L309 HydrophobicContact CD1-CD1 3.66Å; L300-L309 HydrophobicContact CD1-CD2 4.17Å; L300-L309 HydrophobicContact CD1-CG 4Å; L300-L309 HydrophobicContact CG-CD1 4.15Å; F302-L309 HydrophobicContact CD1-CB 4.1Å; F302-L309 HydrophobicContact CD1-CD1 4.1Å; F302-L309 HydrophobicContact CD2-CD1 4.06Å; F302-L309 HydrophobicContact CE1-CB 3.91Å; F302-L309 HydrophobicContact CE1-CD1 3.99Å; F302-L309 HydrophobicContact CE1-CG 4.41Å; F302-L309 HydrophobicContact CE2-CD1 3.96Å; F302-L309 HydrophobicContact CG-CD1 4.14Å; F302-L309 HydrophobicContact CZ-CD1 3.93Å; L309-V319 CarbonylContact O-C 3.57Å; L309-V319 VanDerWaalsContact O-CA 3.32Å; L309-V319 WeakPolarHBondContact O-CA 3.2Å; L309-F320 PolarHBondContact N-O 3.38Å; L309-F320 PolarHBondContact O-N 2.87Å
310A96.3Very high93.8Very high0 Ų024.8 Ų24.80%011%0.113CC..EExtended strand (participates in β ladder)trans-105.5142.1175.900000110.4L20 F22 L29 L300 R301 R318 V319L20-A310 HydrophobicContact CD1-CB 4.14Å; F22-A310 HydrophobicContact CE2-CB 3.79Å; F22-A310 HydrophobicContact CZ-CB 3.85Å; L29-A310 HydrophobicContact CD2-CB 4.42Å; L300-A310 WeakPolarHBondContact CA-O 3.33Å; R301-A310 PolarHBondContact N-O 3.38Å; R301-A310 PolarHBondContact O-N 2.68Å; A310-R318 CarbonylContact C-O 3.57Å; A310-R318 WeakPolarHBondContact CA-O 3.32Å; A310-V319 HydrophobicContact CB-CG1 4.44Å; A310-V319 HydrophobicContact CB-CG2 3.95Å
311C96.5Very high93.5Very high0 Ų025.3 Ų25.30%012%0.116CC..EExtended strand (participates in β ladder)trans-144.1156174.560.30000112.1H293 I297 D299 L300 R318H293-C311 PolarHBondContact NE2-SG 3.33Å; I297-C311 HydrophobicContact CG2-CB 4.41Å; D299-C311 VanDerWaalsContact O-CA 3.26Å; D299-C311 WeakPolarHBondContact O-CA 3.44Å; L300-C311 HydrophobicContact CD1-CB 3.75Å; C311-R318 PolarHBondContact N-O 3.29Å; C311-R318 PolarHBondContact O-N 2.95Å
312S95.7Very high93.3Very high0 Ų023.1 Ų23.10%011%0.107CC..EExtended strand (participates in β ladder)trans-132.3158.7174.358.80000110.6I297 T298 D299I297-S312 CarbonylContact C-O 3.52Å; I297-S312 VanDerWaalsContact CA-O 3.24Å; I297-S312 WeakPolarHBondContact CA-O 3.35Å; I297-S312 WeakPolarHBondContact CG2-O 3.47Å; T298-S312 PolarHBondContact N-O 2.88Å; T298-S312 PolarHBondContact OG1-O 3.05Å; T298-S312 PolarHBondContact OG1-OG 3.21Å; D299-S312 WeakPolarHBondContact CB-OG 3.4Å; D299-S312 PolarHBondContact N-OG 3.2Å; D299-S312 PolarHBondContact O-N 2.93Å
313G92.9Very high93Very high2 Ų222.4 Ų22.42%0.02111%0.105CC..SBendtrans-178.3-25.2177.200000113.1H293 Q295 G296H293-G313 PolarHBondContact ND1-N 2.91Å; Q295-G313 VanDerWaalsContact CB-O 3.25Å; Q295-G313 WeakPolarHBondContact CB-O 3.48Å; G296-G313 VanDerWaalsContact O-CA 3.29Å; G296-G313 WeakPolarHBondContact O-CA 3.23Å
314D93.4Very high92.9Very high14 Ų1422.4 Ų22.48%0.07511%0.105CC..SBendtrans-123.1-153.4170.356.221.4000109.1V17 H293 S294 A316 R318V17-D314 PolarHBondContact N-O 3.47Å; H293-D314 WeakPolarHBondContact CA-OD2 3.45Å; H293-D314 HydrophobicContact CB-CB 4.47Å; H293-D314 IonicContact CE1-OD1 3.17Å; H293-D314 IonicContact CG-OD1 3.82Å; H293-D314 IonicContact CG-OD2 3.26Å; H293-D314 PolarHBondContact ND1-N 3Å; H293-D314 IonicContact ND1-OD1 3.75Å; H293-D314 PolarHBondContact ND1-OD1 2.7Å; H293-D314 IonicContact ND1-OD2 3.46Å; H293-D314 PolarHBondContact ND1-OD2 2.89Å; S294-D314 PolarHBondContact N-OD2 2.78Å; S294-D314 VanDerWaalsContact N-OD2 3.14Å; S294-D314 WeakPolarHBondContact OG-CB 3.18Å; D314-A316 PolarHBondContact O-N 2.98Å; D314-A316 WeakPolarHBondContact OD1-CA 3.35Å; D314-A316 WeakPolarHBondContact OD1-CB 3.1Å; D314-A316 PolarHBondContact OD1-N 2.8Å; D314-R318 IonicContact OD1-NH1 3.88Å; D314-R318 PolarHBondContact OD1-NH1 2.86Å; D314-R318 IonicContact OD2-CZ 2.98Å; D314-R318 IonicContact OD2-NH1 2.86Å; D314-R318 PolarHBondContact OD2-NH1 2.92Å; D314-R318 IonicContact OD2-NH2 3.55Å
315K92.9Very high92.8Very high110 Ų11020.1 Ų20.148%0.4789%0.094SC..SBendtrans-71.3-11.7177.7-53.6-175.2176.8-161.60113.7S14 G15S14-K315 WeakPolarHBondContact O-CD 3.45Å; S14-K315 WeakPolarHBondContact O-CE 3.29Å; S14-K315 PolarHBondContact O-NZ 2.93Å; G15-K315 WeakPolarHBondContact O-CA 3.3Å
316A91.2Very high92.9Very high6 Ų618 Ų185%0.058%0.079CC..  trans-102.4150.6-175.400000112.2V6 S7 C8 H293 D314V6-A316 HydrophobicContact CG1-CB 4.33Å; S7-A316 WeakPolarHBondContact O-CA 3.42Å; S7-A316 WeakPolarHBondContact O-CB 3.5Å; C8-A316 HydrophobicContact CB-CB 4.17Å; H293-A316 PolarHBondContact CE1-O 2.84Å; H293-A316 VanDerWaalsContact CE1-O 3.26Å; D314-A316 PolarHBondContact O-N 2.98Å; D314-A316 WeakPolarHBondContact OD1-CA 3.35Å; D314-A316 WeakPolarHBondContact OD1-CB 3.1Å; D314-A316 PolarHBondContact OD1-N 2.8Å
317I92.9Very high92.9Very high0 Ų020.8 Ų20.80%09%0.088CC..EExtended strand (participates in β ladder)trans-104.4128.4167.2-53.9167.1000106.2F5 V6 S7 V17 L20 L29 S31 W41 V319F5-I317 HydrophobicContact CE1-CB 4.35Å; F5-I317 HydrophobicContact CE1-CG2 4.43Å; V6-I317 WeakPolarHBondContact CA-O 3.5Å; S7-I317 PolarHBondContact N-O 2.88Å; S7-I317 PolarHBondContact O-N 2.86Å; S7-I317 VanDerWaalsContact O-N 3.13Å; V17-I317 HydrophobicContact CG1-CG1 4.17Å; V17-I317 HydrophobicContact CG2-CG1 4.03Å; L20-I317 HydrophobicContact CD1-CG2 4.19Å; L20-I317 HydrophobicContact CD2-CD1 4.06Å; L20-I317 HydrophobicContact CD2-CG1 4.09Å; L20-I317 HydrophobicContact CD2-CG2 4.02Å; L29-I317 HydrophobicContact CD2-CG2 4.16Å; S31-I317 VanDerWaalsContact OG-CD1 3.25Å; S31-I317 WeakPolarHBondContact OG-CD1 3.25Å; W41-I317 HydrophobicContact CZ2-CD1 4.01Å; I317-V319 HydrophobicContact CG2-CG2 4.37Å
318R92.4Very high93Very high49 Ų4916.6 Ų16.619%0.1857%0.073CC..EExtended strand (participates in β ladder)trans-116.1126.4178.9-69.6-178.2175.386-5.3109.7L3 F5 V6 V292 H293 A310 C311 D314 F320L3-R318 HydrophobicContact CD1-CB 3.72Å; L3-R318 HydrophobicContact CD1-CG 3.95Å; F5-R318 WeakPolarHBondContact O-CA 3.47Å; V6-R318 HydrophobicContact CG2-CG 4.49Å; V292-R318 HydrophobicContact CG1-CB 4.47Å; V292-R318 WeakPolarHBondContact O-CD 3.24Å; V292-R318 PolarHBondContact O-NE 2.95Å; V292-R318 PolarHBondContact O-NH1 3.38Å; V292-R318 VanDerWaalsContact O-NH1 3.11Å; H293-R318 PolarHBondContact CE1-NH1 2.82Å; H293-R318 PolarHBondContact ND1-NH1 3.32Å; A310-R318 CarbonylContact C-O 3.57Å; A310-R318 WeakPolarHBondContact CA-O 3.32Å; C311-R318 PolarHBondContact N-O 3.29Å; C311-R318 PolarHBondContact O-N 2.95Å; D314-R318 IonicContact OD1-NH1 3.88Å; D314-R318 PolarHBondContact OD1-NH1 2.86Å; D314-R318 IonicContact OD2-CZ 2.98Å; D314-R318 IonicContact OD2-NH1 2.86Å; D314-R318 PolarHBondContact OD2-NH1 2.92Å; D314-R318 IonicContact OD2-NH2 3.55Å; R318-F320 HydrophobicContact CB-CE2 3.74Å; R318-F320 HydrophobicContact CB-CZ 4.06Å
319V93.1Very high93Very high1 Ų116.8 Ų16.81%0.0068%0.075CC..EExtended strand (participates in β ladder)trans-119.4131.7176-166.80000110.1I4 F5 F46 F308 L309 A310 I317I4-V319 PolarHBondContact N-O 3.2Å; F5-V319 HydrophobicContact CB-CB 3.69Å; F5-V319 HydrophobicContact CB-CG2 3.95Å; F5-V319 HydrophobicContact CD1-CB 4.34Å; F5-V319 HydrophobicContact CD1-CG2 3.66Å; F5-V319 HydrophobicContact CE1-CG2 4.46Å; F5-V319 HydrophobicContact CG-CB 4.38Å; F5-V319 HydrophobicContact CG-CG2 4.1Å; F5-V319 PolarHBondContact N-O 2.7Å; F5-V319 PolarHBondContact O-N 3.25Å; F46-V319 HydrophobicContact CD2-CG1 4.28Å; F46-V319 HydrophobicContact CE2-CG1 4.32Å; F46-V319 HydrophobicContact CE2-CG2 4.33Å; F46-V319 HydrophobicContact CZ-CG2 4.39Å; F308-V319 HydrophobicContact CB-CG1 3.59Å; F308-V319 HydrophobicContact CD1-CG1 4.06Å; F308-V319 HydrophobicContact CG-CG1 4Å; L309-V319 CarbonylContact O-C 3.57Å; L309-V319 VanDerWaalsContact O-CA 3.32Å; L309-V319 WeakPolarHBondContact O-CA 3.2Å; A310-V319 HydrophobicContact CB-CG1 4.44Å; A310-V319 HydrophobicContact CB-CG2 3.95Å; I317-V319 HydrophobicContact CG2-CG2 4.37Å
320F91.4Very high92.9Very high12 Ų1217.1 Ų17.15%0.0538%0.077CC..EExtended strand (participates in β ladder)trans-119.3147.6-177.4-57.7-90.4000110.6M1 L3 L289 V292 F308 L309 R318M1-F320 HydrophobicContact CE-CB 3.72Å; M1-F320 HydrophobicContact CG-CB 4.13Å; M1-F320 HydrophobicContact SD-CB 3.53Å; M1-F320 VanDerWaalsContact SD-CB 3.53Å; M1-F320 HydrophobicContact SD-CG 4.22Å; L3-F320 HydrophobicContact CB-CD1 4.07Å; L3-F320 HydrophobicContact CB-CE1 3.71Å; L3-F320 HydrophobicContact CD1-CD1 4.04Å; L3-F320 HydrophobicContact CD1-CE1 3.48Å; L3-F320 VanDerWaalsContact CD1-CE1 3.48Å; L3-F320 HydrophobicContact CD1-CE2 4.1Å; L3-F320 HydrophobicContact CD1-CZ 3.51Å; L3-F320 HydrophobicContact CG-CE1 4.15Å; L289-F320 HydrophobicContact CD1-CD1 3.77Å; L289-F320 HydrophobicContact CD1-CD2 4.13Å; L289-F320 HydrophobicContact CD1-CE1 3.74Å; L289-F320 HydrophobicContact CD1-CE2 4.11Å; L289-F320 HydrophobicContact CD1-CG 3.96Å; L289-F320 HydrophobicContact CD1-CZ 3.92Å; V292-F320 HydrophobicContact CG1-CE2 3.81Å; V292-F320 HydrophobicContact CG1-CZ 3.65Å; F308-F320 CarbonylContact C-O 3.51Å; F308-F320 VanDerWaalsContact CA-O 3.25Å; F308-F320 WeakPolarHBondContact CA-O 3.48Å; L309-F320 PolarHBondContact N-O 3.38Å; L309-F320 PolarHBondContact O-N 2.87Å; R318-F320 HydrophobicContact CB-CE2 3.74Å; R318-F320 HydrophobicContact CB-CZ 4.06Å
321H90.9Very high92.7Very high17 Ų1720.6 Ų20.68%0.0799%0.09CC..EExtended strand (participates in β ladder)trans-73131.2172.5-89.3-52.3000109.8M1 I4 F308 A323 A363M1-H321 WeakPolarHBondContact CE-O 3.37Å; M1-H321 WeakPolarHBondContact CG-O 3.34Å; I4-H321 HydrophobicContact CD1-CB 3.48Å; I4-H321 VanDerWaalsContact CD1-CB 3.48Å; I4-H321 WeakPolarHBondContact CD1-CD2 3.4Å; I4-H321 WeakPolarHBondContact CG1-CD2 3.19Å; F308-H321 AromaticContact CD1-ND1 3.8Å; F308-H321 AromaticContact CE1-CE1 3.41Å; F308-H321 VanDerWaalsContact CE1-CE1 3.41Å; F308-H321 WeakPolarHBondContact CE1-CE1 3.32Å; F308-H321 AromaticContact CE1-ND1 3.39Å; F308-H321 WeakPolarHBondContact CE1-ND1 3.36Å; H321-A323 PolarHBondContact O-N 2.98Å; H321-A363 HydrophobicContact CB-CB 3.84Å; H321-A363 VanDerWaalsContact CD2-CA 3.46Å; H321-A363 WeakPolarHBondContact CD2-CA 2.98Å; H321-A363 VanDerWaalsContact CD2-CB 3.45Å; H321-A363 WeakPolarHBondContact CD2-CB 3.31Å
322N92.4Very high92.5Very high1 Ų122.6 Ų22.61%0.00510%0.101CC..  trans-69.657.9174.2-168.818.6000113.2M277 F302 S306 R307 P324 G325 Y326M277-N322 WeakPolarHBondContact CE-OD1 3.48Å; F302-N322 HydrophobicContact CE1-CB 4.16Å; S306-N322 VanDerWaalsContact O-CB 3.24Å; S306-N322 WeakPolarHBondContact O-CB 3.37Å; S306-N322 PolarHBondContact O-ND2 3.31Å; R307-N322 PolarHBondContact O-N 3.05Å; N322-P324 VanDerWaalsContact C-CD 3.48Å; N322-P324 VanDerWaalsContact C-N 3.33Å; N322-G325 WeakPolarHBondContact O-CA 3.48Å; N322-G325 PolarHBondContact O-N 3.07Å; N322-G325 PolarHBondContact OD1-N 3.1Å; N322-G325 VanDerWaalsContact OD1-N 3.1Å; N322-Y326 VanDerWaalsContact O-CD2 3.26Å; N322-Y326 WeakPolarHBondContact O-CD2 3.16Å; N322-Y326 PolarHBondContact O-N 3.15Å; N322-Y326 VanDerWaalsContact O-N 3.16Å
323A91.2Very high92.4Very high2 Ų223.6 Ų23.62%0.01711%0.106CC..Hα-helixtrans-55-41.2175.700000112.5M1 H321 G325 Y326 R327 L360 L364M1-A323 HydrophobicContact CG-CB 4.49Å; H321-A323 PolarHBondContact O-N 2.98Å; A323-G325 VanDerWaalsContact C-N 3.27Å; A323-G325 PolarHBondContact O-N 2.91Å; A323-Y326 PolarHBondContact O-N 3.07Å; A323-R327 WeakPolarHBondContact O-CG 3.44Å; A323-R327 PolarHBondContact O-N 3.34Å; A323-L360 HydrophobicContact CB-CD1 3.9Å; A323-L364 HydrophobicContact CB-CD2 4.38Å
324P92.6Very high92.5Very high0 Ų027.4 Ų27.40%012%0.123CC..Hα-helixtrans-56.4-41.1171.7-28.239.1000112.6V266 M277 E286 E287 N322 Y326 R327 V328V266-P324 HydrophobicContact CG1-CB 4.21Å; V266-P324 HydrophobicContact CG2-CB 4.22Å; M277-P324 HydrophobicContact CB-CG 4.3Å; M277-P324 HydrophobicContact CE-CB 4.29Å; M277-P324 HydrophobicContact CE-CG 3.88Å; M277-P324 HydrophobicContact SD-CG 4.07Å; E286-P324 HydrophobicContact CB-CB 4.06Å; E286-P324 HydrophobicContact CB-CG 4.3Å; E287-P324 HydrophobicContact CB-CG 4.27Å; E287-P324 HydrophobicContact CG-CG 3.63Å; N322-P324 VanDerWaalsContact C-CD 3.48Å; N322-P324 VanDerWaalsContact C-N 3.33Å; P324-Y326 PolarHBondContact O-N 2.79Å; P324-R327 PolarHBondContact O-N 3.21Å; P324-V328 VanDerWaalsContact O-CG2 3.29Å; P324-V328 WeakPolarHBondContact O-CG2 3.27Å; P324-V328 PolarHBondContact O-N 3.26Å
325G92Very high92.5Very high5 Ų529.8 Ų29.85%0.05214%0.136CC..Hα-helixtrans-60.8-45.9177.600000112.7V266 N322 A323 R327 V328 A329V266-G325 VanDerWaalsContact CG2-CA 3.41Å; N322-G325 WeakPolarHBondContact O-CA 3.48Å; N322-G325 PolarHBondContact O-N 3.07Å; N322-G325 PolarHBondContact OD1-N 3.1Å; N322-G325 VanDerWaalsContact OD1-N 3.1Å; A323-G325 VanDerWaalsContact C-N 3.27Å; A323-G325 PolarHBondContact O-N 2.91Å; G325-R327 PolarHBondContact O-N 3.1Å; G325-V328 PolarHBondContact O-N 2.76Å; G325-A329 VanDerWaalsContact O-CB 3.22Å; G325-A329 WeakPolarHBondContact O-CB 3.36Å; G325-A329 PolarHBondContact O-N 3.44Å
326Y91.5Very high92.4Very high47 Ų4729 Ų2918%0.18414%0.135CC..Hα-helixtrans-61.7-44174.9-67.3-66.9000112.2N322 A323 P324 A329 I330 A359 L360N322-Y326 VanDerWaalsContact O-CD2 3.26Å; N322-Y326 WeakPolarHBondContact O-CD2 3.16Å; N322-Y326 PolarHBondContact O-N 3.15Å; N322-Y326 VanDerWaalsContact O-N 3.16Å; A323-Y326 PolarHBondContact O-N 3.07Å; P324-Y326 PolarHBondContact O-N 2.79Å; Y326-A329 PolarHBondContact O-N 3.14Å; Y326-I330 WeakPolarHBondContact O-CB 3.09Å; Y326-I330 WeakPolarHBondContact O-CD1 3.38Å; Y326-I330 WeakPolarHBondContact O-CG1 3.41Å; Y326-I330 PolarHBondContact O-N 3.4Å; Y326-A359 HydrophobicContact CD1-CB 4.32Å; Y326-A359 HydrophobicContact CE1-CB 3.9Å; Y326-L360 HydrophobicContact CG-CB 4.47Å
327R92.6Very high92.6Very high73 Ų7330.6 Ų30.628%0.27514%0.142SC..Hα-helixtrans-61.8-46.8178.1-68.5179.4-164.2138.41.2112E287 A323 P324 G325 I330 R331 L360E287-R327 IonicContact OE1-CZ 2.64Å; E287-R327 IonicContact OE1-NH1 3.15Å; E287-R327 PolarHBondContact OE1-NH1 2.99Å; E287-R327 IonicContact OE1-NH2 3.56Å; E287-R327 PolarHBondContact OE1-NH2 2.92Å; A323-R327 WeakPolarHBondContact O-CG 3.44Å; A323-R327 PolarHBondContact O-N 3.34Å; P324-R327 PolarHBondContact O-N 3.21Å; G325-R327 PolarHBondContact O-N 3.1Å; R327-I330 PolarHBondContact O-N 3.02Å; R327-R331 WeakPolarHBondContact O-CB 3.2Å; R327-R331 PolarHBondContact O-N 3.12Å; R327-L360 HydrophobicContact CG-CD1 4.28Å; R327-L360 HydrophobicContact CG-CD2 3.75Å
328V92.9Very high92.6Very high2 Ų238.2 Ų38.21%0.01218%0.176CC..Hα-helixtrans-62.1-45.1177.31740000110.1R265 D279 P324 G325 I330 R331 D332R265-V328 HydrophobicContact CB-CB 4.43Å; R265-V328 HydrophobicContact CB-CG1 3.86Å; R265-V328 HydrophobicContact CG-CG1 4.03Å; D279-V328 HydrophobicContact CB-CG2 4.05Å; P324-V328 VanDerWaalsContact O-CG2 3.29Å; P324-V328 WeakPolarHBondContact O-CG2 3.27Å; P324-V328 PolarHBondContact O-N 3.26Å; G325-V328 PolarHBondContact O-N 2.76Å; V328-I330 PolarHBondContact O-N 2.58Å; V328-R331 PolarHBondContact O-N 2.9Å; V328-D332 VanDerWaalsContact O-CG 3.28Å; V328-D332 PolarHBondContact O-N 3.04Å
329A92.1Very high92.7Very high10 Ų1044.2 Ų44.28%0.08320%0.203CC..Hα-helixtrans-60.3-45177.900000113.1G325 Y326 D332 M333G325-A329 VanDerWaalsContact O-CB 3.22Å; G325-A329 WeakPolarHBondContact O-CB 3.36Å; G325-A329 PolarHBondContact O-N 3.44Å; Y326-A329 PolarHBondContact O-N 3.14Å; A329-D332 PolarHBondContact O-N 3.11Å; A329-M333 HydrophobicContact CB-CE 4.49Å; A329-M333 WeakPolarHBondContact O-CE 3.49Å; A329-M333 VanDerWaalsContact O-CG 3.31Å; A329-M333 WeakPolarHBondContact O-CG 3.19Å; A329-M333 PolarHBondContact O-N 2.71Å
330I93.6Very high92.7Very high8 Ų845 Ų454%0.04121%0.209CC..Hα-helixtrans-61.2-46.1177.7-70.5161.5000110.3Y326 R327 V328 M333 Q334 I353 A356 Q357 L360Y326-I330 WeakPolarHBondContact O-CB 3.09Å; Y326-I330 WeakPolarHBondContact O-CD1 3.38Å; Y326-I330 WeakPolarHBondContact O-CG1 3.41Å; Y326-I330 PolarHBondContact O-N 3.4Å; R327-I330 PolarHBondContact O-N 3.02Å; V328-I330 PolarHBondContact O-N 2.58Å; I330-M333 HydrophobicContact CG1-CE 4.4Å; I330-M333 PolarHBondContact O-N 2.97Å; I330-Q334 HydrophobicContact CG2-CG 4.35Å; I330-Q334 WeakPolarHBondContact O-CB 3.18Å; I330-Q334 VanDerWaalsContact O-CG 3.25Å; I330-Q334 WeakPolarHBondContact O-CG 3.23Å; I330-Q334 PolarHBondContact O-N 3.33Å; I330-I353 HydrophobicContact CG2-CG2 4.36Å; I330-A356 HydrophobicContact CD1-CB 4.14Å; I330-A356 HydrophobicContact CG1-CB 3.63Å; I330-Q357 HydrophobicContact CD1-CB 4.36Å; I330-L360 HydrophobicContact CD1-CB 4.4Å; I330-L360 HydrophobicContact CD1-CD2 3.94Å
331R93.4Very high92.6Very high74 Ų7453.4 Ų53.428%0.27925%0.249SC..Hα-helixtrans-61.7-45178.3-174.3-173.659.9-168.1-5.7111.7D279 R327 V328 M333 Q334 D335D279-R331 IonicContact OD1-NH2 3.41Å; D279-R331 IonicContact OD2-CZ 3.36Å; D279-R331 IonicContact OD2-NH1 2.83Å; D279-R331 PolarHBondContact OD2-NH1 3.43Å; D279-R331 IonicContact OD2-NH2 2.99Å; D279-R331 PolarHBondContact OD2-NH2 2.89Å; R327-R331 WeakPolarHBondContact O-CB 3.2Å; R327-R331 PolarHBondContact O-N 3.12Å; V328-R331 PolarHBondContact O-N 2.9Å; R331-M333 VanDerWaalsContact C-N 3.35Å; R331-M333 PolarHBondContact O-N 2.67Å; R331-Q334 WeakPolarHBondContact O-CB 3.32Å; R331-Q334 PolarHBondContact O-N 3Å; R331-D335 PolarHBondContact O-N 2.87Å
332D91.2Very high92.8Very high41 Ų4157.3 Ų57.322%0.21927%0.27CS..Hα-helixtrans-58.5-47175.8-68.7-8.2000111.2R265 V328 A329 Q334 D335 M336R265-D332 IonicContact CZ-OD2 3.7Å; R265-D332 IonicContact NE-OD2 2.75Å; R265-D332 PolarHBondContact NE-OD2 2.99Å; R265-D332 IonicContact NH2-OD2 3.56Å; R265-D332 PolarHBondContact NH2-OD2 3.46Å; V328-D332 VanDerWaalsContact O-CG 3.28Å; V328-D332 PolarHBondContact O-N 3.04Å; A329-D332 PolarHBondContact O-N 3.11Å; D332-Q334 VanDerWaalsContact C-N 3.34Å; D332-Q334 PolarHBondContact O-N 2.67Å; D332-D335 PolarHBondContact O-N 2.83Å; D332-M336 WeakPolarHBondContact O-CG 3.47Å; D332-M336 PolarHBondContact O-N 2.9Å
333M93.8Very high92.8Very high22 Ų2262.5 Ų62.511%0.10830%0.295CS..Hα-helixtrans-65.5-36.3179.1-70.7-174.8-68.400112.3A329 I330 R331 M336 L337 L349 Q352 I353 A356A329-M333 HydrophobicContact CB-CE 4.49Å; A329-M333 WeakPolarHBondContact O-CE 3.49Å; A329-M333 VanDerWaalsContact O-CG 3.31Å; A329-M333 WeakPolarHBondContact O-CG 3.19Å; A329-M333 PolarHBondContact O-N 2.71Å; I330-M333 HydrophobicContact CG1-CE 4.4Å; I330-M333 PolarHBondContact O-N 2.97Å; R331-M333 VanDerWaalsContact C-N 3.35Å; R331-M333 PolarHBondContact O-N 2.67Å; M333-M336 PolarHBondContact O-N 2.94Å; M333-L337 WeakPolarHBondContact O-CB 3.45Å; M333-L337 PolarHBondContact O-N 2.68Å; M333-L349 HydrophobicContact CB-CD2 4.39Å; M333-L349 HydrophobicContact CG-CD2 4.43Å; M333-Q352 HydrophobicContact SD-CB 3.59Å; M333-Q352 VanDerWaalsContact SD-CB 3.59Å; M333-I353 HydrophobicContact CB-CD1 4.03Å; M333-I353 HydrophobicContact CB-CG1 3.6Å; M333-I353 HydrophobicContact CE-CG1 4.29Å; M333-I353 HydrophobicContact SD-CG1 4.48Å; M333-A356 HydrophobicContact CE-CB 3.73Å
334Q94.5Very high92.9Very high82 Ų8265.4 Ų65.438%0.38332%0.318SS..Hα-helixtrans-64.3-40.6173.9-75.1172-9.900111.7I330 R331 D332 L337 K338 I353I330-Q334 HydrophobicContact CG2-CG 4.35Å; I330-Q334 WeakPolarHBondContact O-CB 3.18Å; I330-Q334 VanDerWaalsContact O-CG 3.25Å; I330-Q334 WeakPolarHBondContact O-CG 3.23Å; I330-Q334 PolarHBondContact O-N 3.33Å; R331-Q334 WeakPolarHBondContact O-CB 3.32Å; R331-Q334 PolarHBondContact O-N 3Å; D332-Q334 VanDerWaalsContact C-N 3.34Å; D332-Q334 PolarHBondContact O-N 2.67Å; Q334-L337 WeakPolarHBondContact O-CB 3.47Å; Q334-L337 PolarHBondContact O-N 2.83Å; Q334-K338 WeakPolarHBondContact O-CG 3.09Å; Q334-K338 PolarHBondContact O-N 2.81Å; Q334-K338 VanDerWaalsContact O-N 3.09Å; Q334-I353 HydrophobicContact CG-CD1 3.93Å
335D93.2Very high92.9Very high64 Ų6468.9 Ų68.934%0.34234%0.335SS..Hα-helixtrans-70.6-34.9176.7-74.1-19.1000112.4R331 D332 K338 K339R331-D335 PolarHBondContact O-N 2.87Å; D332-D335 PolarHBondContact O-N 2.83Å; D335-K338 IonicContact OD1-NZ 3.44Å; D335-K338 PolarHBondContact OD1-NZ 2.84Å; D335-K339 WeakPolarHBondContact O-CG 3.15Å; D335-K339 PolarHBondContact O-N 3.44Å
336M92.3Very high93Very high93 Ų9371.3 Ų71.346%0.45835%0.345SS..Hα-helixtrans-64.2-40169.4-70176.670.700111.8D332 M333 K338 K339 A340 M345 L349D332-M336 WeakPolarHBondContact O-CG 3.47Å; D332-M336 PolarHBondContact O-N 2.9Å; M333-M336 PolarHBondContact O-N 2.94Å; M336-K338 VanDerWaalsContact C-N 3.34Å; M336-K338 PolarHBondContact O-N 2.97Å; M336-K339 CarbonylContact O-C 3.59Å; M336-K339 PolarHBondContact O-N 2.94Å; M336-K339 VanDerWaalsContact O-N 3.12Å; M336-A340 PolarHBondContact O-N 2.91Å; M336-M345 HydrophobicContact CE-CE 4.13Å; M336-L349 HydrophobicContact CB-CD1 3.99Å; M336-L349 HydrophobicContact CB-CD2 4.27Å; M336-L349 HydrophobicContact CE-CD2 4.49Å
337L94.2Very high93.2Very high39 Ų3975 Ų7520%0.20436%0.364CS..Hα-helixtrans-63.3-40179.5179.365.4000111.5M333 Q334 K339 A340 K346 L349 Q350 I353M333-L337 WeakPolarHBondContact O-CB 3.45Å; M333-L337 PolarHBondContact O-N 2.68Å; Q334-L337 WeakPolarHBondContact O-CB 3.47Å; Q334-L337 PolarHBondContact O-N 2.83Å; L337-K339 PolarHBondContact O-N 2.82Å; L337-A340 PolarHBondContact O-N 2.94Å; L337-K346 HydrophobicContact CD1-CB 3.74Å; L337-K346 HydrophobicContact CD1-CG 3.87Å; L337-L349 HydrophobicContact CB-CB 4.34Å; L337-L349 HydrophobicContact CB-CD1 4.17Å; L337-L349 HydrophobicContact CD1-CB 4.03Å; L337-L349 HydrophobicContact CD1-CD1 4.4Å; L337-Q350 HydrophobicContact CD1-CG 4.07Å; L337-Q350 HydrophobicContact CD2-CG 3.85Å; L337-I353 HydrophobicContact CB-CD1 4.49Å; L337-I353 HydrophobicContact CD2-CD1 4.01Å
338K94.2Very high93.3Very high161 Ų16179.1 Ų79.170%0.738%0.379SS*.Hα-helixtrans-61.1-32.8174.5-68.7169.6-165.6159.60112.6Q334 D335 M336Q334-K338 WeakPolarHBondContact O-CG 3.09Å; Q334-K338 PolarHBondContact O-N 2.81Å; Q334-K338 VanDerWaalsContact O-N 3.09Å; D335-K338 IonicContact OD1-NZ 3.44Å; D335-K338 PolarHBondContact OD1-NZ 2.84Å; M336-K338 VanDerWaalsContact C-N 3.34Å; M336-K338 PolarHBondContact O-N 2.97Å
339K93.8Very high93.4Very high174 Ų17479.2 Ų79.276%0.75738%0.38SS*.Hα-helixtrans-89.3-14.2-179-64.5173.4-174.6175.60113.2D335 M336 L337 Q341D335-K339 WeakPolarHBondContact O-CG 3.15Å; D335-K339 PolarHBondContact O-N 3.44Å; M336-K339 CarbonylContact O-C 3.59Å; M336-K339 PolarHBondContact O-N 2.94Å; M336-K339 VanDerWaalsContact O-N 3.12Å; L337-K339 PolarHBondContact O-N 2.82Å; K339-Q341 PolarHBondContact O-N 2.91Å
340A92.1Very high93.6Very high17 Ų1783 Ų8314%0.1440%0.395CS..  trans-71.9126-174.600000111.4M336 L337 M345 K346 L349M336-A340 PolarHBondContact O-N 2.91Å; L337-A340 PolarHBondContact O-N 2.94Å; A340-M345 HydrophobicContact CB-CB 4.49Å; A340-M345 HydrophobicContact CB-CG 4.12Å; A340-K346 HydrophobicContact CB-CG 3.88Å; A340-K346 WeakPolarHBondContact O-CE 3.38Å; A340-L349 HydrophobicContact CB-CD1 4.21Å
341Q90.9Very high93.7Very high189 Ų18986.4 Ų86.488%0.88341%0.411SS*.  trans-93.3-29.9177-65.8-177.7-1800112.8K339K339-Q341 PolarHBondContact O-N 2.91Å
342N93.8Very high93.7Very high100 Ų10086.1 Ų86.154%0.53541%0.413SS..  trans-85.1127.2-177.4-178.7-4.9000111.5A344 M345 K346N342-A344 VanDerWaalsContact C-N 3.32Å; N342-A344 PolarHBondContact O-N 2.84Å; N342-A344 PolarHBondContact OD1-N 3.45Å; N342-M345 HydrophobicContact CB-CB 4.04Å; N342-M345 WeakPolarHBondContact O-CB 3.47Å; N342-M345 PolarHBondContact O-N 2.9Å; N342-M345 VanDerWaalsContact O-N 3.09Å; N342-K346 PolarHBondContact O-N 2.92Å
343E92.8Very high93.9Very high110 Ų11085.2 Ų85.251%0.51441%0.408SS..Hα-helixtrans-59.5-37.1177.6-72.5-54.5132.800113.4M345 K346 Q347E343-M345 VanDerWaalsContact C-N 3.3Å; E343-M345 PolarHBondContact O-N 2.89Å; E343-K346 PolarHBondContact O-N 3.4Å; E343-K346 WeakPolarHBondContact OE1-CD 3.38Å; E343-K346 IonicContact OE1-NZ 2.76Å; E343-K346 PolarHBondContact OE1-NZ 3.28Å; E343-Q347 WeakPolarHBondContact O-CG 3.47Å; E343-Q347 PolarHBondContact O-N 2.98Å
344A93.9Very high94Very high62 Ų6290.7 Ų90.751%0.51243%0.427SS..Hα-helixtrans-64.1-37.5175.600000111.9N342 R348N342-A344 VanDerWaalsContact C-N 3.32Å; N342-A344 PolarHBondContact O-N 2.84Å; N342-A344 PolarHBondContact OD1-N 3.45Å; A344-R348 WeakPolarHBondContact O-CB 3.09Å; A344-R348 PolarHBondContact O-N 3.21Å; A344-R348 VanDerWaalsContact O-N 3.07Å
345M92.2Very high93.9Very high73 Ų7391.8 Ų91.836%0.3643%0.433SS..Hα-helixtrans-67.9-41.5175.4-17466.5168.100110.9M336 A340 N342 E343 R348 L349M336-M345 HydrophobicContact CE-CE 4.13Å; A340-M345 HydrophobicContact CB-CB 4.49Å; A340-M345 HydrophobicContact CB-CG 4.12Å; N342-M345 HydrophobicContact CB-CB 4.04Å; N342-M345 WeakPolarHBondContact O-CB 3.47Å; N342-M345 PolarHBondContact O-N 2.9Å; N342-M345 VanDerWaalsContact O-N 3.09Å; E343-M345 VanDerWaalsContact C-N 3.3Å; E343-M345 PolarHBondContact O-N 2.89Å; M345-R348 PolarHBondContact O-N 3.32Å; M345-L349 HydrophobicContact CE-CD1 4.24Å; M345-L349 HydrophobicContact CE-CG 4.46Å; M345-L349 HydrophobicContact CG-CD1 4.07Å; M345-L349 WeakPolarHBondContact O-CB 3.18Å; M345-L349 WeakPolarHBondContact O-CG 3.32Å; M345-L349 PolarHBondContact O-N 2.87Å
346K94.5Very high93.8Very high57 Ų5789.4 Ų89.425%0.24842%0.422CS..Hα-helixtrans-61.2-47.6176-68.8-178.3-171.3166.40111.6L337 A340 N342 E343 R348 L349 Q350L337-K346 HydrophobicContact CD1-CB 3.74Å; L337-K346 HydrophobicContact CD1-CG 3.87Å; A340-K346 HydrophobicContact CB-CG 3.88Å; A340-K346 WeakPolarHBondContact O-CE 3.38Å; N342-K346 PolarHBondContact O-N 2.92Å; E343-K346 PolarHBondContact O-N 3.4Å; E343-K346 WeakPolarHBondContact OE1-CD 3.38Å; E343-K346 IonicContact OE1-NZ 2.76Å; E343-K346 PolarHBondContact OE1-NZ 3.28Å; K346-R348 VanDerWaalsContact C-N 3.33Å; K346-R348 PolarHBondContact O-N 3.45Å; K346-L349 PolarHBondContact O-N 3.08Å; K346-Q350 WeakPolarHBondContact O-CB 3.44Å; K346-Q350 VanDerWaalsContact O-CG 3.27Å; K346-Q350 WeakPolarHBondContact O-CG 3.47Å; K346-Q350 PolarHBondContact O-N 2.91Å
347Q95.1Very high93.9Very high125 Ų12588.4 Ų88.458%0.58442%0.416SS*.Hα-helixtrans-59.6-43.9177.9-73.8180-8.400111.8E343 Q350 Q351E343-Q347 WeakPolarHBondContact O-CG 3.47Å; E343-Q347 PolarHBondContact O-N 2.98Å; Q347-Q350 PolarHBondContact O-N 2.84Å; Q347-Q351 PolarHBondContact O-N 3.37Å
348R95.3Very high93.8Very high159 Ų15990.2 Ų90.260%0.643%0.432SS*.Hα-helixtrans-60.5-49.9175.7-178-179.2176176.81.4111.9A344 M345 K346 Q350 Q351 Q352A344-R348 WeakPolarHBondContact O-CB 3.09Å; A344-R348 PolarHBondContact O-N 3.21Å; A344-R348 VanDerWaalsContact O-N 3.07Å; M345-R348 PolarHBondContact O-N 3.32Å; K346-R348 VanDerWaalsContact C-N 3.33Å; K346-R348 PolarHBondContact O-N 3.45Å; R348-Q350 VanDerWaalsContact C-N 3.34Å; R348-Q350 PolarHBondContact O-N 3.29Å; R348-Q351 PolarHBondContact O-N 3.06Å; R348-Q352 WeakPolarHBondContact O-CG 3.45Å; R348-Q352 PolarHBondContact O-N 2.63Å
349L94.8Very high93.5Very high4 Ų484.2 Ų84.22%0.02141%0.413CS..Hα-helixtrans-62.4-41.2179.6-75.5170.2000111.5M333 M336 L337 A340 M345 K346 Q351 Q352 I353M333-L349 HydrophobicContact CB-CD2 4.39Å; M333-L349 HydrophobicContact CG-CD2 4.43Å; M336-L349 HydrophobicContact CB-CD1 3.99Å; M336-L349 HydrophobicContact CB-CD2 4.27Å; M336-L349 HydrophobicContact CE-CD2 4.49Å; L337-L349 HydrophobicContact CB-CB 4.34Å; L337-L349 HydrophobicContact CB-CD1 4.17Å; L337-L349 HydrophobicContact CD1-CB 4.03Å; L337-L349 HydrophobicContact CD1-CD1 4.4Å; A340-L349 HydrophobicContact CB-CD1 4.21Å; M345-L349 HydrophobicContact CE-CD1 4.24Å; M345-L349 HydrophobicContact CE-CG 4.46Å; M345-L349 HydrophobicContact CG-CD1 4.07Å; M345-L349 WeakPolarHBondContact O-CB 3.18Å; M345-L349 WeakPolarHBondContact O-CG 3.32Å; M345-L349 PolarHBondContact O-N 2.87Å; K346-L349 PolarHBondContact O-N 3.08Å; L349-Q351 VanDerWaalsContact C-N 3.33Å; L349-Q351 PolarHBondContact O-N 3.22Å; L349-Q352 PolarHBondContact O-N 2.7Å; L349-I353 WeakPolarHBondContact O-CB 3.21Å; L349-I353 WeakPolarHBondContact O-CD1 3.34Å; L349-I353 WeakPolarHBondContact O-CG1 3.4Å; L349-I353 PolarHBondContact O-N 2.93Å
350Q95.6Very high93.3Very high88 Ų8876.4 Ų76.441%0.41138%0.379SS..Hα-helixtrans-61.3-40.9175.4-75.3174.8-13.400112.2L337 K346 Q347 R348 I353 R354L337-Q350 HydrophobicContact CD1-CG 4.07Å; L337-Q350 HydrophobicContact CD2-CG 3.85Å; K346-Q350 WeakPolarHBondContact O-CB 3.44Å; K346-Q350 VanDerWaalsContact O-CG 3.27Å; K346-Q350 WeakPolarHBondContact O-CG 3.47Å; K346-Q350 PolarHBondContact O-N 2.91Å; Q347-Q350 PolarHBondContact O-N 2.84Å; R348-Q350 VanDerWaalsContact C-N 3.34Å; R348-Q350 PolarHBondContact O-N 3.29Å; Q350-I353 PolarHBondContact O-N 3.4Å; Q350-R354 WeakPolarHBondContact O-CG 3.25Å; Q350-R354 PolarHBondContact O-N 2.89Å
351Q95.9Very high93.1Very high81 Ų8179.4 Ų79.438%0.37939%0.393SS..Hα-helixtrans-63.7-47175.5-178.559.925.100111.4Q347 R348 L349 I353 R354 E355Q347-Q351 PolarHBondContact O-N 3.37Å; R348-Q351 PolarHBondContact O-N 3.06Å; L349-Q351 VanDerWaalsContact C-N 3.33Å; L349-Q351 PolarHBondContact O-N 3.22Å; Q351-I353 VanDerWaalsContact C-N 3.32Å; Q351-I353 PolarHBondContact O-N 2.89Å; Q351-R354 PolarHBondContact O-N 3.32Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.45Å; Q351-E355 PolarHBondContact NE2-OE1 2.8Å; Q351-E355 WeakPolarHBondContact O-CG 3.3Å; Q351-E355 PolarHBondContact O-N 2.85Å
352Q94.4Very high92.8Very high67 Ų6773.3 Ų73.331%0.31338%0.375SS..Hα-helixtrans-62.8-37.7178.2-68.9179.3-42.100112.5M333 R348 L349 E355 A356M333-Q352 HydrophobicContact SD-CB 3.59Å; M333-Q352 VanDerWaalsContact SD-CB 3.59Å; R348-Q352 WeakPolarHBondContact O-CG 3.45Å; R348-Q352 PolarHBondContact O-N 2.63Å; L349-Q352 PolarHBondContact O-N 2.7Å; Q352-E355 PolarHBondContact O-N 2.79Å; Q352-A356 VanDerWaalsContact O-CB 3.31Å; Q352-A356 WeakPolarHBondContact O-CB 3.38Å; Q352-A356 PolarHBondContact O-N 3.41Å
353I95.1Very high92.2Very high23 Ų2368.7 Ų68.712%0.11835%0.351CS..Hα-helixtrans-63-45.5174.3-71.2162.8000110.6I330 M333 Q334 L337 L349 Q350 Q351 E355 A356 Q357I330-I353 HydrophobicContact CG2-CG2 4.36Å; M333-I353 HydrophobicContact CB-CD1 4.03Å; M333-I353 HydrophobicContact CB-CG1 3.6Å; M333-I353 HydrophobicContact CE-CG1 4.29Å; M333-I353 HydrophobicContact SD-CG1 4.48Å; Q334-I353 HydrophobicContact CG-CD1 3.93Å; L337-I353 HydrophobicContact CB-CD1 4.49Å; L337-I353 HydrophobicContact CD2-CD1 4.01Å; L349-I353 WeakPolarHBondContact O-CB 3.21Å; L349-I353 WeakPolarHBondContact O-CD1 3.34Å; L349-I353 WeakPolarHBondContact O-CG1 3.4Å; L349-I353 PolarHBondContact O-N 2.93Å; Q350-I353 PolarHBondContact O-N 3.4Å; Q351-I353 VanDerWaalsContact C-N 3.32Å; Q351-I353 PolarHBondContact O-N 2.89Å; I353-E355 PolarHBondContact O-N 3.21Å; I353-A356 PolarHBondContact O-N 2.81Å; I353-Q357 VanDerWaalsContact O-CB 3.3Å; I353-Q357 WeakPolarHBondContact O-CB 2.99Å; I353-Q357 PolarHBondContact O-N 2.91Å
354R95.3Very high91.7Very high136 Ų13666.2 Ų66.251%0.51334%0.34SS..Hα-helixtrans-61.2-44.1177.5-75.7-172.2-64.8-94.53.2112Q350 Q351 Q357 S358Q350-R354 WeakPolarHBondContact O-CG 3.25Å; Q350-R354 PolarHBondContact O-N 2.89Å; Q351-R354 PolarHBondContact O-N 3.32Å; R354-Q357 PolarHBondContact O-N 2.8Å; R354-S358 WeakPolarHBondContact O-CB 3.46Å; R354-S358 PolarHBondContact O-N 3.47Å
355E93.5Very high90.8Very high105 Ų10566.7 Ų66.749%0.49134%0.344SS..Hα-helixtrans-63.4-46.3177.7-72.9170.3-172.200111.6Q351 Q352 I353 Q357 S358 A359Q351-E355 WeakPolarHBondContact CG-OE1 3.45Å; Q351-E355 PolarHBondContact NE2-OE1 2.8Å; Q351-E355 WeakPolarHBondContact O-CG 3.3Å; Q351-E355 PolarHBondContact O-N 2.85Å; Q352-E355 PolarHBondContact O-N 2.79Å; I353-E355 PolarHBondContact O-N 3.21Å; E355-Q357 PolarHBondContact O-N 2.83Å; E355-S358 PolarHBondContact O-N 2.83Å; E355-A359 WeakPolarHBondContact O-CB 3.46Å; E355-A359 PolarHBondContact O-N 3.36Å
356A91.1Very high89.3Confident15 Ų1564.4 Ų64.412%0.12434%0.337CS..Hα-helixtrans-65.5-38177.800000112.4I330 M333 Q352 I353 A359 L360I330-A356 HydrophobicContact CD1-CB 4.14Å; I330-A356 HydrophobicContact CG1-CB 3.63Å; M333-A356 HydrophobicContact CE-CB 3.73Å; Q352-A356 VanDerWaalsContact O-CB 3.31Å; Q352-A356 WeakPolarHBondContact O-CB 3.38Å; Q352-A356 PolarHBondContact O-N 3.41Å; I353-A356 PolarHBondContact O-N 2.81Å; A356-A359 PolarHBondContact O-N 2.86Å; A356-L360 WeakPolarHBondContact O-CB 3.43Å; A356-L360 PolarHBondContact O-N 3.04Å
357Q93.8Very high87.3Confident72 Ų7266.4 Ų66.434%0.33636%0.356SS..Hα-helixtrans-64.7-45.4174.9-173.463.946.400110.9I330 I353 R354 E355 A359 L360 D361I330-Q357 HydrophobicContact CD1-CB 4.36Å; I353-Q357 VanDerWaalsContact O-CB 3.3Å; I353-Q357 WeakPolarHBondContact O-CB 2.99Å; I353-Q357 PolarHBondContact O-N 2.91Å; R354-Q357 PolarHBondContact O-N 2.8Å; E355-Q357 PolarHBondContact O-N 2.83Å; Q357-A359 VanDerWaalsContact C-N 3.33Å; Q357-A359 PolarHBondContact O-N 2.98Å; Q357-L360 WeakPolarHBondContact O-CB 3.38Å; Q357-L360 PolarHBondContact O-N 3Å; Q357-D361 PolarHBondContact NE2-OD1 2.9Å; Q357-D361 WeakPolarHBondContact O-CB 3.5Å; Q357-D361 PolarHBondContact O-N 3.11Å
358S91.8Very high85Confident77 Ų7766.3 Ų66.354%0.53836%0.364SS..Hα-helixtrans-59.5-42.9175.4-1780000112R354 E355 D361 A362R354-S358 WeakPolarHBondContact O-CB 3.46Å; R354-S358 PolarHBondContact O-N 3.47Å; E355-S358 PolarHBondContact O-N 2.83Å; S358-D361 PolarHBondContact O-N 3.28Å; S358-A362 WeakPolarHBondContact O-CB 3.33Å; S358-A362 PolarHBondContact O-N 3.31Å
359A87.6Confident82.6Confident35 Ų3568.2 Ų68.229%0.28938%0.379SS..Hα-helixtrans-64.4-40175.600000112.6Y326 E355 A356 Q357 A363Y326-A359 HydrophobicContact CD1-CB 4.32Å; Y326-A359 HydrophobicContact CE1-CB 3.9Å; E355-A359 WeakPolarHBondContact O-CB 3.46Å; E355-A359 PolarHBondContact O-N 3.36Å; A356-A359 PolarHBondContact O-N 2.86Å; Q357-A359 VanDerWaalsContact C-N 3.33Å; Q357-A359 PolarHBondContact O-N 2.98Å; A359-A363 VanDerWaalsContact O-CB 3.3Å; A359-A363 WeakPolarHBondContact O-CB 3.4Å; A359-A363 PolarHBondContact O-N 3.08Å
360L89.6Confident82Confident10 Ų1071.5 Ų71.55%0.05240%0.397CS..Hα-helixtrans-64.1-46.3174.5176.160.1000111.3A323 Y326 R327 I330 A356 Q357 A362 A363 L364A323-L360 HydrophobicContact CB-CD1 3.9Å; Y326-L360 HydrophobicContact CG-CB 4.47Å; R327-L360 HydrophobicContact CG-CD1 4.28Å; R327-L360 HydrophobicContact CG-CD2 3.75Å; I330-L360 HydrophobicContact CD1-CB 4.4Å; I330-L360 HydrophobicContact CD1-CD2 3.94Å; A356-L360 WeakPolarHBondContact O-CB 3.43Å; A356-L360 PolarHBondContact O-N 3.04Å; Q357-L360 WeakPolarHBondContact O-CB 3.38Å; Q357-L360 PolarHBondContact O-N 3Å; L360-A362 VanDerWaalsContact C-N 3.33Å; L360-A362 PolarHBondContact O-N 2.83Å; L360-A363 WeakPolarHBondContact O-CB 3.39Å; L360-A363 PolarHBondContact O-N 2.67Å; L360-L364 HydrophobicContact CD1-CD1 3.86Å; L360-L364 HydrophobicContact CD1-CG 3.99Å; L360-L364 HydrophobicContact CG-CD1 3.98Å; L360-L364 HydrophobicContact CG-CG 4.43Å; L360-L364 WeakPolarHBondContact O-CB 3.22Å; L360-L364 VanDerWaalsContact O-CG 3.27Å; L360-L364 WeakPolarHBondContact O-CG 3.46Å; L360-L364 PolarHBondContact O-N 3.22Å
361D88.4Confident81.3Confident80 Ų8070.6 Ų70.643%0.42840%0.396SS..Hα-helixtrans-62.8-42.4179.4-65.4-21.4000110.4Q357 S358 L364 A365Q357-D361 PolarHBondContact NE2-OD1 2.9Å; Q357-D361 WeakPolarHBondContact O-CB 3.5Å; Q357-D361 PolarHBondContact O-N 3.11Å; S358-D361 PolarHBondContact O-N 3.28Å; D361-L364 CarbonylContact O-C 3.56Å; D361-L364 PolarHBondContact O-N 3.37Å; D361-A365 WeakPolarHBondContact O-CB 2.97Å; D361-A365 PolarHBondContact O-N 2.92Å
362A84.9Confident80.5Confident61 Ų6170 Ų7050%0.50440%0.397SS..Hα-helixtrans-61.2-45.5173.400000112.1S358 L360 L364 A365 A366S358-A362 WeakPolarHBondContact O-CB 3.33Å; S358-A362 PolarHBondContact O-N 3.31Å; L360-A362 VanDerWaalsContact C-N 3.33Å; L360-A362 PolarHBondContact O-N 2.83Å; A362-L364 PolarHBondContact O-N 3.31Å; A362-A365 PolarHBondContact O-N 2.84Å; A362-A365 VanDerWaalsContact O-N 3.07Å; A362-A366 PolarHBondContact O-N 3.5Å
363A81.3Confident79.7Confident3 Ų370.2 Ų70.23%0.02540%0.402CS..Hα-helixtrans-62.9-31.6176.500000112.8H321 A359 L360H321-A363 HydrophobicContact CB-CB 3.84Å; H321-A363 VanDerWaalsContact CD2-CA 3.46Å; H321-A363 WeakPolarHBondContact CD2-CA 2.98Å; H321-A363 VanDerWaalsContact CD2-CB 3.45Å; H321-A363 WeakPolarHBondContact CD2-CB 3.31Å; A359-A363 VanDerWaalsContact O-CB 3.3Å; A359-A363 WeakPolarHBondContact O-CB 3.4Å; A359-A363 PolarHBondContact O-N 3.08Å; L360-A363 WeakPolarHBondContact O-CB 3.39Å; L360-A363 PolarHBondContact O-N 2.67Å
364L81.4Confident78.7Confident58 Ų5873.1 Ų73.130%0.30442%0.42SS..Hα-helixtrans-87.8-7.4175.1-66.8178.1000113.4R2 A323 L360 D361 A362R2-L364 PolarHBondContact NE-O 3.39Å; R2-L364 VanDerWaalsContact NE-O 3.16Å; R2-L364 PolarHBondContact NH1-O 2.96Å; R2-L364 PolarHBondContact NH2-O 3.45Å; A323-L364 HydrophobicContact CB-CD2 4.38Å; L360-L364 HydrophobicContact CD1-CD1 3.86Å; L360-L364 HydrophobicContact CD1-CG 3.99Å; L360-L364 HydrophobicContact CG-CD1 3.98Å; L360-L364 HydrophobicContact CG-CG 4.43Å; L360-L364 WeakPolarHBondContact O-CB 3.22Å; L360-L364 VanDerWaalsContact O-CG 3.27Å; L360-L364 WeakPolarHBondContact O-CG 3.46Å; L360-L364 PolarHBondContact O-N 3.22Å; D361-L364 CarbonylContact O-C 3.56Å; D361-L364 PolarHBondContact O-N 3.37Å; A362-L364 PolarHBondContact O-N 3.31Å
365A74.1Confident77.6Confident71 Ų7168.9 Ų68.959%0.58741%0.414SS*.Hα-helixtrans-100-20179.700000113.1R2 D361 A362R2-A365 PolarHBondContact NH1-O 3.06Å; D361-A365 WeakPolarHBondContact O-CB 2.97Å; D361-A365 PolarHBondContact O-N 2.92Å; A362-A365 PolarHBondContact O-N 2.84Å; A362-A365 VanDerWaalsContact O-N 3.07Å
366A62.2Low76.5Confident25 Ų2566.4 Ų66.421%0.20741%0.408CS..SBendtrans-51.7129.6-18000000112.2R2 A362R2-A366 WeakPolarHBondContact CD-O 3.35Å; R2-A366 PolarHBondContact NH1-O 3.1Å; A362-A366 PolarHBondContact O-N 3.5Å
367P52.1Low75.3Confident99 Ų9970.3 Ų70.364%0.64343%0.43SS*.  trans-59.6146.3-174.222-30.7000112.1E369P367-E369 PolarHBondContact O-N 3.32Å
368V47.1Very low73.8Confident124 Ų12470.2 Ų70.275%0.75244%0.438SS*.  trans-79.9109.5171.7-1760000106.2
369E44.9Very low72.2Confident199 Ų19969.5 Ų69.593%0.9343%0.429SS*.  trans-940166.4-72.6-169.9176.300110.7R49 P367R49-E369 IonicContact NE-OE1 3.9Å; P367-E369 PolarHBondContact O-N 3.32Å

Retrieved 369 of 369 residues in 240.7 ms (Link to these results)

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