A0A077ZIH7_TRITR Loading...

Uridine phosphorylase

AlphaFold DB , UniProt , Accession A0A077ZIH7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 253 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
1M49.2Very low88.2Confident238 Ų23885.6 Ų85.6100%1.17244%0.436SS*.  0128.30-68.3170.7-161.700106.6
2S60.7Low89Confident92 Ų9281 Ų8164%0.64342%0.415SS*.  trans-56.1141.7168.251.80000107.8S4S2-S4 VanDerWaalsContact CB-O 3.23Å; S2-S4 WeakPolarHBondContact CB-O 3.32Å; S2-S4 PolarHBondContact O-N 2.74Å; S2-S4 PolarHBondContact OG-O 3.24Å
3K85Confident89.7Confident205 Ų20585.2 Ų85.289%0.89143%0.429SS*.SBendtrans-71.2-7.3178.2-71.7-174.5175.5-176.80112.7
4S92.9Very high90.3Very high22 Ų2288.3 Ų88.315%0.15445%0.447CS..  trans-142.5149179.9179.90000109.4S2 V6 G10 L11S2-S4 VanDerWaalsContact CB-O 3.23Å; S2-S4 WeakPolarHBondContact CB-O 3.32Å; S2-S4 PolarHBondContact O-N 2.74Å; S2-S4 PolarHBondContact OG-O 3.24Å; S4-V6 PolarHBondContact OG-N 3.47Å; S4-V6 PolarHBondContact OG-O 2.93Å; S4-G10 WeakPolarHBondContact OG-CA 3.48Å; S4-L11 WeakPolarHBondContact CA-O 3.23Å; S4-L11 PolarHBondContact OG-N 2.92Å; S4-L11 PolarHBondContact OG-O 2.75Å
5D95.6Very high90.8Very high91 Ų9185.7 Ų85.749%0.48744%0.435SS..SBendtrans-87.7-7.7175.8-65.1-25.5000112.2L11 T12 K13 L84D5-L11 PolarHBondContact N-O 2.87Å; D5-T12 WeakPolarHBondContact OD2-CA 3.47Å; D5-T12 VanDerWaalsContact OD2-CB 3.32Å; D5-T12 WeakPolarHBondContact OD2-CB 3.28Å; D5-K13 PolarHBondContact OD2-N 2.83Å; D5-L84 HydrophobicContact CB-CD2 4.04Å
6V97.7Very high91.3Very high13 Ų1380.4 Ų80.48%0.07941%0.408CS..SBendtrans-133.7164.9-176.3-64.70000111S4 L9 E80 Q83 L84S4-V6 PolarHBondContact OG-N 3.47Å; S4-V6 PolarHBondContact OG-O 2.93Å; V6-L9 HydrophobicContact CG2-CB 3.96Å; V6-E80 HydrophobicContact CB-CB 3.94Å; V6-E80 HydrophobicContact CB-CG 3.85Å; V6-E80 VanDerWaalsContact CB-OE2 3.28Å; V6-E80 WeakPolarHBondContact CB-OE2 3.19Å; V6-E80 HydrophobicContact CG1-CB 3.99Å; V6-E80 HydrophobicContact CG1-CG 4.22Å; V6-E80 HydrophobicContact CG2-CB 4.18Å; V6-E80 HydrophobicContact CG2-CG 4.43Å; V6-E80 WeakPolarHBondContact CG2-OE2 3.41Å; V6-Q83 HydrophobicContact CG1-CB 4.37Å; V6-L84 HydrophobicContact CG1-CD1 4.13Å; V6-L84 HydrophobicContact CG1-CD2 3.95Å; V6-L84 HydrophobicContact CG1-CG 3.82Å; V6-L84 HydrophobicContact CG2-CD1 4.13Å
7F97.1Very high91.7Very high189 Ų18982.1 Ų82.183%0.82941%0.414SS*.SBendtrans-82-31.4-167.2-72.5-71000114.4E80F7-E80 WeakPolarHBondContact CB-OE1 3.49Å; F7-E80 PolarHBondContact N-OE1 2.83Å; F7-E80 VanDerWaalsContact N-OE1 3.15Å
8H98.2Very high92.1Very high71 Ų7181 Ų8133%0.32943%0.427SS..SBendtrans-121.4-37.5-167.8-57.387.3000114G10 H47 F50 I76 E80H8-G10 VanDerWaalsContact C-N 3.33Å; H8-G10 PolarHBondContact O-N 2.7Å; H8-H47 WeakPolarHBondContact O-CB 3.44Å; H8-F50 HydrophobicContact CB-CD2 4.23Å; H8-F50 HydrophobicContact CB-CE2 4Å; H8-I76 HydrophobicContact CB-CG2 3.76Å; H8-I76 WeakPolarHBondContact ND1-CG2 3.48Å; H8-E80 WeakPolarHBondContact CB-OE1 3.31Å; H8-E80 IonicContact CE1-OE1 3.3Å; H8-E80 IonicContact CG-OE1 3.67Å; H8-E80 VanDerWaalsContact N-CD 3.34Å; H8-E80 PolarHBondContact N-OE1 3.12Å; H8-E80 PolarHBondContact N-OE2 3.15Å; H8-E80 IonicContact ND1-OE1 2.72Å; H8-E80 PolarHBondContact ND1-OE1 2.97Å
9L98.1Very high92.4Very high0 Ų076.9 Ų76.90%041%0.406CS..SBendtrans-75.4-19.9-173.2-59.9-175.3000113.7V6 L11 A45 F50 E80 L81V6-L9 HydrophobicContact CG2-CB 3.96Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 HydrophobicContact CB-CD1 3.88Å; L9-L11 HydrophobicContact CB-CG 4.06Å; L9-L11 HydrophobicContact CD1-CD1 4.2Å; L9-L11 PolarHBondContact O-N 3.01Å; L9-A45 WeakPolarHBondContact O-CB 3.3Å; L9-F50 HydrophobicContact CD2-CB 3.53Å; L9-F50 HydrophobicContact CD2-CD1 3.81Å; L9-F50 HydrophobicContact CD2-CD2 4.11Å; L9-F50 HydrophobicContact CD2-CG 3.54Å; L9-E80 HydrophobicContact CD1-CB 3.56Å; L9-E80 HydrophobicContact CG-CB 3.84Å; L9-E80 VanDerWaalsContact CG-OE2 3.3Å; L9-E80 WeakPolarHBondContact CG-OE2 3.48Å; L9-E80 PolarHBondContact N-OE2 2.84Å; L9-L81 HydrophobicContact CD1-CD2 3.94Å; L9-L81 HydrophobicContact CD1-CG 3.77Å
10G97.5Very high92.7Very high21 Ų2176.8 Ų76.822%0.21641%0.408CS..  trans69.529.1-179.700000113.9S4 H8S4-G10 WeakPolarHBondContact OG-CA 3.48Å; H8-G10 VanDerWaalsContact C-N 3.33Å; H8-G10 PolarHBondContact O-N 2.7Å
11L98.3Very high93Very high0 Ų073.1 Ų73.10%039%0.389CS..  trans-112.5159-176.5-61.7170.7000111.8S4 D5 L9 D15 L16 L44 A45 T52 L84S4-L11 WeakPolarHBondContact CA-O 3.23Å; S4-L11 PolarHBondContact OG-N 2.92Å; S4-L11 PolarHBondContact OG-O 2.75Å; D5-L11 PolarHBondContact N-O 2.87Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 HydrophobicContact CB-CD1 3.88Å; L9-L11 HydrophobicContact CB-CG 4.06Å; L9-L11 HydrophobicContact CD1-CD1 4.2Å; L9-L11 PolarHBondContact O-N 3.01Å; L11-D15 HydrophobicContact CD2-CB 4.47Å; L11-L16 HydrophobicContact CD1-CD1 4.4Å; L11-L44 HydrophobicContact CD2-CB 3.64Å; L11-L44 HydrophobicContact CD2-CD1 3.98Å; L11-A45 HydrophobicContact CD2-CB 3.76Å; L11-A45 HydrophobicContact CG-CB 4.39Å; L11-T52 HydrophobicContact CD1-CG2 3.83Å; L11-T52 HydrophobicContact CD2-CG2 4.25Å; L11-L84 HydrophobicContact CB-CD1 3.66Å; L11-L84 HydrophobicContact CD1-CD1 4.04Å
12T97.9Very high95.4Very high30 Ų3061.8 Ų61.818%0.18433%0.333CS..  trans-114162.3164.268.40000110.4D5 N14 D15D5-T12 WeakPolarHBondContact OD2-CA 3.47Å; D5-T12 VanDerWaalsContact OD2-CB 3.32Å; D5-T12 WeakPolarHBondContact OD2-CB 3.28Å; T12-N14 PolarHBondContact O-N 3.03Å; T12-D15 WeakPolarHBondContact CB-OD2 3.18Å; T12-D15 PolarHBondContact N-OD2 2.79Å; T12-D15 WeakPolarHBondContact O-CB 3.44Å; T12-D15 PolarHBondContact O-N 3.49Å; T12-D15 VanDerWaalsContact O-N 3.11Å; T12-D15 PolarHBondContact OG1-N 3.29Å; T12-D15 PolarHBondContact OG1-OD2 3.34Å
13K97.9Very high97.2Very high136 Ų13657.4 Ų57.459%0.59130%0.302SS*.G310 helixtrans-60.4-31.6175.5-174.3168.2-172.91750112.3D5 D15 L16 L84D5-K13 PolarHBondContact OD2-N 2.83Å; K13-D15 VanDerWaalsContact C-N 3.32Å; K13-L16 PolarHBondContact O-N 2.74Å; K13-L84 HydrophobicContact CB-CD2 4.3Å
14N97.9Very high97.9Very high128 Ų12847.8 Ų47.868%0.68426%0.261SS*.G310 helixtrans-68.9-31.2178.4-173.266.5000112.4T12 L16 Q17T12-N14 PolarHBondContact O-N 3.03Å; N14-L16 PolarHBondContact O-N 3.24Å; N14-Q17 PolarHBondContact O-N 3.06Å; N14-Q17 VanDerWaalsContact O-N 3.08Å
15D98.3Very high98.2Very high50 Ų5046.7 Ų46.727%0.26725%0.253SS..G310 helixtrans-63-24.8177.1-62.2-44.8000112.2L11 T12 K13 Q17 L44 R54L11-D15 HydrophobicContact CD2-CB 4.47Å; T12-D15 WeakPolarHBondContact CB-OD2 3.18Å; T12-D15 PolarHBondContact N-OD2 2.79Å; T12-D15 WeakPolarHBondContact O-CB 3.44Å; T12-D15 PolarHBondContact O-N 3.49Å; T12-D15 VanDerWaalsContact O-N 3.11Å; T12-D15 PolarHBondContact OG1-N 3.29Å; T12-D15 PolarHBondContact OG1-OD2 3.34Å; K13-D15 VanDerWaalsContact C-N 3.32Å; D15-Q17 VanDerWaalsContact C-N 3.35Å; D15-L44 HydrophobicContact CB-CD1 4.09Å; D15-R54 WeakPolarHBondContact O-CD 3.4Å; D15-R54 PolarHBondContact O-NH1 2.89Å
16L98.5Very high98.3Very high1 Ų143.1 Ų43.11%0.00524%0.237CC..G310 helixtrans-78.2-18.7177.1-89.463.3000113.6L11 K13 N14 G18 A19 I63 L84 I86L11-L16 HydrophobicContact CD1-CD1 4.4Å; K13-L16 PolarHBondContact O-N 2.74Å; N14-L16 PolarHBondContact O-N 3.24Å; L16-G18 PolarHBondContact O-N 3.11Å; L16-A19 HydrophobicContact CB-CB 4.24Å; L16-A19 HydrophobicContact CG-CB 4.44Å; L16-A19 VanDerWaalsContact O-CB 3.28Å; L16-A19 WeakPolarHBondContact O-CB 3.48Å; L16-A19 PolarHBondContact O-N 2.74Å; L16-I63 HydrophobicContact CD1-CD1 4.17Å; L16-I63 HydrophobicContact CD1-CG1 4.38Å; L16-I63 HydrophobicContact CD2-CG1 4.34Å; L16-I63 HydrophobicContact CG-CD1 3.88Å; L16-I63 HydrophobicContact CG-CG1 3.77Å; L16-L84 HydrophobicContact CD1-CB 4.39Å; L16-L84 HydrophobicContact CD1-CD1 4.22Å; L16-L84 HydrophobicContact CD2-CB 3.73Å; L16-I86 HydrophobicContact CD2-CD1 3.73Å; L16-I86 HydrophobicContact CD2-CG1 3.85Å
17Q98.3Very high98.3Very high109 Ų10945.7 Ų45.751%0.50925%0.251SS..THydrogen-bonded Turntrans51.430-177.6-59.5-172.8-26.600114.2N14 D15 P61N14-Q17 PolarHBondContact O-N 3.06Å; N14-Q17 VanDerWaalsContact O-N 3.08Å; D15-Q17 VanDerWaalsContact C-N 3.35Å; Q17-P61 WeakPolarHBondContact O-CG 3.24Å
18G98.2Very high98.3Very high62 Ų6238.3 Ų38.364%0.63922%0.222SC*.THydrogen-bonded Turntrans88.610-178.500000115.1L16 T20L16-G18 PolarHBondContact O-N 3.11Å; G18-T20 PolarHBondContact O-N 3.31Å
19A98.8Very high98.2Very high4 Ų440.8 Ų40.83%0.03324%0.237CC..  trans-55.1137.3171.300000111.4L16 P61 I63 I86L16-A19 HydrophobicContact CB-CB 4.24Å; L16-A19 HydrophobicContact CG-CB 4.44Å; L16-A19 VanDerWaalsContact O-CB 3.28Å; L16-A19 WeakPolarHBondContact O-CB 3.48Å; L16-A19 PolarHBondContact O-N 2.74Å; A19-P61 WeakPolarHBondContact CA-O 3.47Å; A19-P61 HydrophobicContact CB-CB 4.09Å; A19-P61 HydrophobicContact CB-CG 4.22Å; A19-P61 VanDerWaalsContact CB-O 3.32Å; A19-P61 WeakPolarHBondContact CB-O 3.32Å; A19-I63 HydrophobicContact CB-CD1 4.47Å; A19-I63 HydrophobicContact CB-CG1 3.83Å; A19-I86 HydrophobicContact CB-CD1 4.12Å
20T98.8Very high98.1Very high73 Ų7341.8 Ų41.845%0.44824%0.241SC..  trans-123-1.1176.658.70000112.7G18 R87 T88G18-T20 PolarHBondContact O-N 3.31Å; T20-R87 PolarHBondContact O-N 3.12Å; T20-T88 PolarHBondContact O-N 2.94Å
21L98.9Very high98.2Very high1 Ų140.8 Ų40.81%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-125.1134.1179.2-173.1152000110.1I23 V62 I63 T88 L90 A249 L252 L253L21-I23 HydrophobicContact CD2-CG1 4.21Å; L21-V62 HydrophobicContact CD2-CG1 3.75Å; L21-I63 PolarHBondContact O-N 2.8Å; L21-I63 VanDerWaalsContact O-N 3.12Å; L21-T88 CarbonylContact C-O 3.56Å; L21-T88 WeakPolarHBondContact CA-O 3.5Å; L21-T88 HydrophobicContact CD1-CG2 3.88Å; L21-T88 HydrophobicContact CG-CG2 4.1Å; L21-L90 HydrophobicContact CD1-CD1 4.44Å; L21-L90 HydrophobicContact CD2-CD1 4.37Å; L21-A249 HydrophobicContact CD1-CB 4.28Å; L21-A249 HydrophobicContact CD2-CB 3.76Å; L21-L252 HydrophobicContact CD1-CB 3.73Å; L21-L252 HydrophobicContact CD1-CD1 4.42Å; L21-L253 HydrophobicContact CB-CD2 4.05Å; L21-L253 HydrophobicContact CD1-CD2 4.38Å; L21-L253 HydrophobicContact CD1-CG 4.47Å
22A98.9Very high98.2Very high0 Ų046.2 Ų46.20%026%0.256CS..EExtended strand (participates in β ladder)trans-123.5133.6172.400000111.8V24 I63 L81 I86 T88 F89 L90A22-V24 HydrophobicContact CB-CG1 4.1Å; A22-I63 CarbonylContact C-O 3.52Å; A22-I63 WeakPolarHBondContact CA-O 3.13Å; A22-I63 HydrophobicContact CB-CB 4.17Å; A22-I63 HydrophobicContact CB-CG2 4.33Å; A22-L81 HydrophobicContact CB-CD1 4.1Å; A22-I86 HydrophobicContact CB-CD1 4.32Å; A22-I86 HydrophobicContact CB-CG1 4.26Å; A22-I86 HydrophobicContact CB-CG2 3.73Å; A22-T88 PolarHBondContact N-O 3.24Å; A22-F89 HydrophobicContact CB-CD1 4.4Å; A22-F89 WeakPolarHBondContact O-CA 3.27Å; A22-L90 PolarHBondContact O-N 3.46Å
23I98.9Very high98.1Very high0 Ų050.6 Ų50.60%027%0.273CS..EExtended strand (participates in β ladder)trans-90.4124.3164.2-59.4172000107.5L21 P25 I34 V62 I63 V64 C65 L90 I92 V245 V246 A249L21-I23 HydrophobicContact CD2-CG1 4.21Å; I23-P25 VanDerWaalsContact O-CD 3.27Å; I23-P25 WeakPolarHBondContact O-CD 3.36Å; I23-I34 HydrophobicContact CD1-CG2 4.05Å; I23-I34 HydrophobicContact CG2-CD1 4.25Å; I23-I34 HydrophobicContact CG2-CG2 4.16Å; I23-V62 HydrophobicContact CD1-CG1 4.47Å; I23-V62 HydrophobicContact CG1-CG1 4.46Å; I23-I63 PolarHBondContact N-O 2.83Å; I23-V64 HydrophobicContact CB-CG1 4.42Å; I23-V64 HydrophobicContact CB-CG2 4.48Å; I23-V64 VanDerWaalsContact O-CA 3.3Å; I23-V64 WeakPolarHBondContact O-CA 3.44Å; I23-C65 PolarHBondContact O-N 3.08Å; I23-L90 CarbonylContact C-O 3.54Å; I23-L90 WeakPolarHBondContact CA-O 3.31Å; I23-L90 HydrophobicContact CG1-CB 4.48Å; I23-I92 HydrophobicContact CG2-CG2 3.67Å; I23-V245 HydrophobicContact CD1-CG1 4.36Å; I23-V245 HydrophobicContact CG1-CG2 4.3Å; I23-V245 HydrophobicContact CG2-CG1 3.97Å; I23-V245 HydrophobicContact CG2-CG2 3.88Å; I23-V246 HydrophobicContact CD1-CG2 4.31Å; I23-A249 HydrophobicContact CD1-CB 4.07Å; I23-A249 HydrophobicContact CG1-CB 4.39Å
24V98.9Very high98.1Very high2 Ų244.1 Ų44.11%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-119.876.7-168.3-68.80000112.7A22 C65 T67 L81 F89 L90 R91A22-V24 HydrophobicContact CB-CG1 4.1Å; V24-C65 VanDerWaalsContact CA-O 3.28Å; V24-C65 WeakPolarHBondContact CA-O 3.46Å; V24-T67 HydrophobicContact CB-CG2 3.9Å; V24-L81 HydrophobicContact CG1-CD1 4.11Å; V24-F89 HydrophobicContact CG1-CD1 4.15Å; V24-L90 PolarHBondContact N-O 2.91Å; V24-R91 HydrophobicContact CG2-CB 4.3Å; V24-R91 WeakPolarHBondContact O-CD 3.24Å; V24-R91 PolarHBondContact O-NH1 3.02Å
25P98.7Very high98.2Very high0 Ų038 Ų380%021%0.212CC..EExtended strand (participates in β ladder)trans-65.5161.8173.131.7-37.7000111.8I23 R30 V31 I34 V64 S66 T67 R91 I92I23-P25 VanDerWaalsContact O-CD 3.27Å; I23-P25 WeakPolarHBondContact O-CD 3.36Å; P25-R30 HydrophobicContact CB-CB 4.22Å; P25-R30 HydrophobicContact CB-CG 4.34Å; P25-V31 HydrophobicContact CG-CG2 3.78Å; P25-I34 HydrophobicContact CB-CD1 3.93Å; P25-I34 HydrophobicContact CG-CD1 3.86Å; P25-V64 HydrophobicContact CG-CG1 4.24Å; P25-S66 CarbonylContact O-C 3.45Å; P25-S66 WeakPolarHBondContact O-CA 3.49Å; P25-T67 PolarHBondContact O-N 2.72Å; P25-R91 PolarHBondContact O-NH1 3.46Å; P25-I92 HydrophobicContact CB-CG2 4.07Å
26G98.1Very high98.1Very high15 Ų1538.8 Ų38.816%0.15523%0.225CC..SBendtrans-74.6-48.2171.100000112.1G68 R91G26-G68 WeakPolarHBondContact O-CA 3.31Å; G26-G68 PolarHBondContact O-N 3.13Å; G26-R91 VanDerWaalsContact N-NH1 3.18Å
27D97.8Very high98.1Very high67 Ų6743.2 Ų43.236%0.35825%0.248SC..  trans-81.8123.6-172.8-177.82.7000112.5D29 R30D27-D29 PolarHBondContact O-N 3.08Å; D27-D29 PolarHBondContact OD1-N 3.21Å; D27-R30 HydrophobicContact CB-CB 4.19Å; D27-R30 WeakPolarHBondContact O-CB 3.45Å; D27-R30 PolarHBondContact O-N 3.17Å; D27-R30 VanDerWaalsContact O-N 3.13Å
28P98Very high98.1Very high34 Ų3438.5 Ų38.522%0.22123%0.226CC..Hα-helixtrans-53.1-36.3171.5-24.132.7000114.3R30 V31 E49 S66P28-R30 PolarHBondContact O-N 3.33Å; P28-V31 WeakPolarHBondContact O-CB 3.48Å; P28-V31 WeakPolarHBondContact O-CG2 3.36Å; P28-V31 PolarHBondContact O-N 3.34Å; P28-E49 WeakPolarHBondContact CG-O 3.25Å; P28-S66 WeakPolarHBondContact CA-OG 3.38Å
29D96.1Very high98.1Very high123 Ų12340.2 Ų40.266%0.65822%0.221SC*.Hα-helixtrans-74.4-12.9-177-69.4-16.2000112.3D27D27-D29 PolarHBondContact O-N 3.08Å; D27-D29 PolarHBondContact OD1-N 3.21Å
30R96Very high98.1Very high22 Ų2246.8 Ų46.88%0.08325%0.249CC..Hα-helixtrans-83.7-20.5173.3-165.8179.9-70.41620.5112.4P25 D27 P28 E32 K33 I34 E238P25-R30 HydrophobicContact CB-CB 4.22Å; P25-R30 HydrophobicContact CB-CG 4.34Å; D27-R30 HydrophobicContact CB-CB 4.19Å; D27-R30 WeakPolarHBondContact O-CB 3.45Å; D27-R30 PolarHBondContact O-N 3.17Å; D27-R30 VanDerWaalsContact O-N 3.13Å; P28-R30 PolarHBondContact O-N 3.33Å; R30-E32 PolarHBondContact O-N 2.73Å; R30-K33 PolarHBondContact O-N 3.26Å; R30-I34 HydrophobicContact CG-CD1 3.78Å; R30-I34 HydrophobicContact CG-CG1 4.08Å; R30-I34 WeakPolarHBondContact O-CG1 3.26Å; R30-I34 PolarHBondContact O-N 2.9Å; R30-E238 IonicContact CZ-OE1 3.61Å; R30-E238 IonicContact NE-OE1 3.83Å; R30-E238 PolarHBondContact NE-OE1 3.4Å; R30-E238 IonicContact NH2-OE1 2.77Å; R30-E238 PolarHBondContact NH2-OE1 2.91Å
31V98.6Very high98.1Very high0 Ų045.7 Ų45.70%024%0.243CC..Hα-helixtrans-61.5-48.6-174.3177.80000111.4P25 P28 K33 I34 A35 T51 W53 V64P25-V31 HydrophobicContact CG-CG2 3.78Å; P28-V31 WeakPolarHBondContact O-CB 3.48Å; P28-V31 WeakPolarHBondContact O-CG2 3.36Å; P28-V31 PolarHBondContact O-N 3.34Å; V31-K33 PolarHBondContact O-N 2.93Å; V31-I34 PolarHBondContact O-N 3.09Å; V31-A35 WeakPolarHBondContact O-CB 3.33Å; V31-A35 PolarHBondContact O-N 3.11Å; V31-T51 HydrophobicContact CB-CG2 4.13Å; V31-T51 HydrophobicContact CG1-CG2 4.15Å; V31-T51 HydrophobicContact CG2-CG2 4.46Å; V31-T51 WeakPolarHBondContact CG2-O 3.48Å; V31-W53 HydrophobicContact CG1-CB 4Å; V31-W53 VanDerWaalsContact CG1-CD1 3.47Å; V31-W53 HydrophobicContact CG1-CG 3.98Å; V31-V64 HydrophobicContact CB-CG1 4.27Å; V31-V64 HydrophobicContact CG1-CB 3.91Å; V31-V64 HydrophobicContact CG1-CG1 3.78Å; V31-V64 WeakPolarHBondContact CG1-O 3.21Å; V31-V64 HydrophobicContact CG2-CG1 4.47Å
32E98.1Very high98Very high114 Ų11448.8 Ų48.853%0.53326%0.262SS..Hα-helixtrans-61.6-43.3178.2175.7170.3-168.900111.5R30 I34 A35 A36 W53R30-E32 PolarHBondContact O-N 2.73Å; E32-I34 VanDerWaalsContact C-N 3.33Å; E32-I34 PolarHBondContact O-N 3.44Å; E32-A35 PolarHBondContact O-N 3.47Å; E32-A36 VanDerWaalsContact O-CB 3.3Å; E32-A36 WeakPolarHBondContact O-CB 3.36Å; E32-A36 PolarHBondContact O-N 3.41Å; E32-W53 HydrophobicContact CB-CH2 4.36Å; E32-W53 HydrophobicContact CB-CZ2 3.75Å; E32-W53 HydrophobicContact CG-CH2 3.7Å; E32-W53 HydrophobicContact CG-CZ2 3.53Å; E32-W53 HydrophobicContact CG-CZ3 4.44Å
33K96.5Very high98Very high122 Ų12254.5 Ų54.553%0.5329%0.287SS..Hα-helixtrans-61.3-40.4179.5-64.4175.6-175.9162.40112.4R30 V31R30-K33 PolarHBondContact O-N 3.26Å; V31-K33 PolarHBondContact O-N 2.93Å
34I98.3Very high98Very high0 Ų056.6 Ų56.60%030%0.298CS..Hα-helixtrans-69.4-47.2176.5-64.6164.8000109.8I23 P25 R30 V31 E32 A36 L37 M38 V64 I92 V242 V246I23-I34 HydrophobicContact CD1-CG2 4.05Å; I23-I34 HydrophobicContact CG2-CD1 4.25Å; I23-I34 HydrophobicContact CG2-CG2 4.16Å; P25-I34 HydrophobicContact CB-CD1 3.93Å; P25-I34 HydrophobicContact CG-CD1 3.86Å; R30-I34 HydrophobicContact CG-CD1 3.78Å; R30-I34 HydrophobicContact CG-CG1 4.08Å; R30-I34 WeakPolarHBondContact O-CG1 3.26Å; R30-I34 PolarHBondContact O-N 2.9Å; V31-I34 PolarHBondContact O-N 3.09Å; E32-I34 VanDerWaalsContact C-N 3.33Å; E32-I34 PolarHBondContact O-N 3.44Å; I34-A36 VanDerWaalsContact C-N 3.26Å; I34-A36 PolarHBondContact O-N 2.82Å; I34-L37 PolarHBondContact O-N 2.69Å; I34-L37 VanDerWaalsContact O-N 3.15Å; I34-M38 HydrophobicContact CG2-CE 4.35Å; I34-V64 HydrophobicContact CB-CG1 3.96Å; I34-V64 HydrophobicContact CB-CG2 4.45Å; I34-V64 HydrophobicContact CD1-CG1 4.13Å; I34-V64 HydrophobicContact CG2-CG1 3.92Å; I34-V64 HydrophobicContact CG2-CG2 3.85Å; I34-I92 HydrophobicContact CD1-CG2 3.88Å; I34-V242 HydrophobicContact CB-CG1 4.45Å; I34-V242 HydrophobicContact CD1-CG2 4.5Å; I34-V242 HydrophobicContact CG1-CG1 3.84Å; I34-V242 HydrophobicContact CG1-CG2 3.92Å; I34-V246 HydrophobicContact CG2-CG2 4.23Å
35A98.6Very high98Very high0 Ų057 Ų570%030%0.301CS..Hα-helixtrans-59.4-38.6-179.500000112.2V31 E32 L37 M38 P41 W53 V64V31-A35 WeakPolarHBondContact O-CB 3.33Å; V31-A35 PolarHBondContact O-N 3.11Å; E32-A35 PolarHBondContact O-N 3.47Å; A35-L37 PolarHBondContact O-N 3.43Å; A35-L37 VanDerWaalsContact O-N 3.12Å; A35-M38 PolarHBondContact O-N 3.43Å; A35-P41 HydrophobicContact CB-CB 4.09Å; A35-W53 HydrophobicContact CB-CB 3.69Å; A35-W53 HydrophobicContact CB-CD2 4.1Å; A35-W53 HydrophobicContact CB-CE3 3.86Å; A35-W53 HydrophobicContact CB-CG 4.09Å; A35-V64 HydrophobicContact CB-CG2 4.27Å
36A97.9Very high97.9Very high65 Ų6559.8 Ų59.854%0.53732%0.321SS..THydrogen-bonded Turntrans-64.9-11179.300000114.9E32 I34 M38E32-A36 VanDerWaalsContact O-CB 3.3Å; E32-A36 WeakPolarHBondContact O-CB 3.36Å; E32-A36 PolarHBondContact O-N 3.41Å; I34-A36 VanDerWaalsContact C-N 3.26Å; I34-A36 PolarHBondContact O-N 2.82Å; A36-M38 VanDerWaalsContact C-N 3.33Å
37L97.2Very high97.9Very high94 Ų9463.5 Ų63.549%0.49233%0.334SS..THydrogen-bonded Turntrans-89-2173.6-63.2176.9000113.6I34 A35 V242 V246I34-L37 PolarHBondContact O-N 2.69Å; I34-L37 VanDerWaalsContact O-N 3.15Å; A35-L37 PolarHBondContact O-N 3.43Å; A35-L37 VanDerWaalsContact O-N 3.12Å; L37-V242 HydrophobicContact CD1-CG1 3.28Å; L37-V246 HydrophobicContact CB-CG2 4.46Å; L37-V246 HydrophobicContact CD1-CG2 4.47Å
38M98.4Very high97.9Very high10 Ų1070.1 Ų70.15%0.04935%0.354CS..SBendtrans-115.1171.1179.9-65.2-176.8-75.700109.8I34 A35 A36 A55 E56 L57 V62 V64 V246I34-M38 HydrophobicContact CG2-CE 4.35Å; A35-M38 PolarHBondContact O-N 3.43Å; A36-M38 VanDerWaalsContact C-N 3.33Å; M38-A55 HydrophobicContact CB-CB 3.48Å; M38-A55 VanDerWaalsContact CB-CB 3.48Å; M38-A55 HydrophobicContact CE-CB 3.82Å; M38-A55 HydrophobicContact CG-CB 4.42Å; M38-A55 HydrophobicContact SD-CB 4.27Å; M38-E56 WeakPolarHBondContact CB-O 3.5Å; M38-L57 HydrophobicContact CB-CD2 4.5Å; M38-L57 HydrophobicContact CB-CG 4.43Å; M38-L57 HydrophobicContact CG-CD1 4.18Å; M38-L57 HydrophobicContact CG-CD2 3.81Å; M38-L57 HydrophobicContact CG-CG 3.72Å; M38-L57 HydrophobicContact SD-CD1 3.61Å; M38-L57 HydrophobicContact SD-CD2 4.32Å; M38-L57 HydrophobicContact SD-CG 3.6Å; M38-L57 VanDerWaalsContact SD-CG 3.6Å; M38-V62 HydrophobicContact CE-CG1 4.5Å; M38-V62 HydrophobicContact SD-CB 4.17Å; M38-V62 HydrophobicContact SD-CG1 4.17Å; M38-V64 HydrophobicContact CE-CG2 3.42Å; M38-V64 VanDerWaalsContact CE-CG2 3.42Å; M38-V246 HydrophobicContact CG-CG1 4.11Å
39D98.5Very high97.9Very high98 Ų9871.7 Ų71.752%0.52436%0.358SS..EExtended strand (participates in β ladder)trans-78.7145.7-177.6-64.9-46.2000111.7A55 E56D39-A55 CarbonylContact O-C 3.6Å; D39-A55 WeakPolarHBondContact O-CA 3.35Å; D39-E56 HydrophobicContact CB-CB 4.15Å; D39-E56 PolarHBondContact N-O 3.38Å; D39-E56 PolarHBondContact O-N 3.23Å
40K98.3Very high98Very high142 Ų14265.9 Ų65.962%0.61733%0.327SS*.EExtended strand (participates in β ladder)trans47.153.3174.3-52.2177.8-1611430114.5V42 E56K40-V42 PolarHBondContact O-N 3.26Å; K40-E56 IonicContact NZ-OE1 3.57Å; K40-E56 PolarHBondContact NZ-OE1 3.14Å; K40-E56 IonicContact NZ-OE2 2.87Å; K40-E56 PolarHBondContact NZ-OE2 3.1Å
41P98.6Very high98.1Very high51 Ų5165.6 Ų65.633%0.33133%0.328SS..EExtended strand (participates in β ladder)trans-66.2132.6179.629.8-36.1000111.4A35 W53 R54 A55A35-P41 HydrophobicContact CB-CB 4.09Å; P41-W53 HydrophobicContact CB-CE3 3.91Å; P41-W53 HydrophobicContact CB-CZ3 3.97Å; P41-R54 CarbonylContact C-O 3.58Å; P41-R54 WeakPolarHBondContact CA-O 3.05Å; P41-A55 HydrophobicContact CB-CB 4.29Å
42V98.7Very high98.1Very high65 Ų6565.6 Ų65.639%0.39433%0.328SS..EExtended strand (participates in β ladder)trans-136.4125.7179.5-179.50000109.6K40 L44 W53 R54K40-V42 PolarHBondContact O-N 3.26Å; V42-L44 PolarHBondContact O-N 3.44Å; V42-W53 WeakPolarHBondContact O-CA 3.45Å; V42-R54 PolarHBondContact N-O 2.91Å; V42-R54 PolarHBondContact O-N 3.1Å
43K98.6Very high98.2Very high120 Ų12061.7 Ų61.752%0.52231%0.308SS..EExtended strand (participates in β ladder)trans-66.5130.2170.3-173.1174.1-177173.20110.1W53K43-W53 HydrophobicContact CB-CD2 3.99Å; K43-W53 HydrophobicContact CB-CE3 4.47Å; K43-W53 HydrophobicContact CB-CG 4.44Å; K43-W53 HydrophobicContact CB-CH2 4.39Å; K43-W53 HydrophobicContact CB-CZ2 3.89Å; K43-W53 HydrophobicContact CD-CZ2 4.44Å; K43-W53 HydrophobicContact CG-CZ2 4.42Å
44L98.5Very high98.3Very high45 Ų4557.4 Ų57.424%0.23629%0.289CS..EExtended strand (participates in β ladder)trans-100.9-57179.2-58.6-175.1000111.8L11 D15 V42 T52 R54 I63L11-L44 HydrophobicContact CD2-CB 3.64Å; L11-L44 HydrophobicContact CD2-CD1 3.98Å; D15-L44 HydrophobicContact CB-CD1 4.09Å; V42-L44 PolarHBondContact O-N 3.44Å; L44-T52 HydrophobicContact CD1-CG2 4.14Å; L44-T52 PolarHBondContact N-O 2.69Å; L44-R54 HydrophobicContact CD1-CB 3.89Å; L44-R54 HydrophobicContact CD2-CB 4.09Å; L44-R54 HydrophobicContact CG-CB 4.09Å; L44-I63 HydrophobicContact CD1-CD1 3.92Å
45A98.1Very high98.3Very high10 Ų1057.5 Ų57.58%0.08329%0.289CS..EExtended strand (participates in β ladder)trans-151.8162-173.200000111.4L9 L11 T52L9-A45 WeakPolarHBondContact O-CB 3.3Å; L11-A45 HydrophobicContact CD2-CB 3.76Å; L11-A45 HydrophobicContact CG-CB 4.39Å; A45-T52 PolarHBondContact N-O 3.05Å; A45-T52 PolarHBondContact O-N 3.01Å
46S98.2Very high98.3Very high59 Ų5959.3 Ų59.341%0.41330%0.297SS..EExtended strand (participates in β ladder)trans-152.7109.1173.4-171.70000109.3F50 T51S46-F50 CarbonylContact C-O 3.57Å; S46-F50 WeakPolarHBondContact CA-O 3.36Å; S46-T51 PolarHBondContact OG-OG1 3.47Å
47H97Very high98.3Very high93 Ų9356.3 Ų56.343%0.43127%0.273SS..EExtended strand (participates in β ladder)trans-137.3118.2-177.3-71.3-85.7000109.5H8 E49 F50H8-H47 WeakPolarHBondContact O-CB 3.44Å; H47-E49 PolarHBondContact O-N 3.25Å; H47-F50 PolarHBondContact N-O 3.43Å; H47-F50 WeakPolarHBondContact O-CA 3.23Å; H47-F50 WeakPolarHBondContact O-CB 3.42Å; H47-F50 VanDerWaalsContact O-CD2 3.31Å; H47-F50 WeakPolarHBondContact O-CD2 3.15Å; H47-F50 PolarHBondContact O-N 2.96Å
48R97.2Very high98.4Very high206 Ų20657 Ų5778%0.77728%0.277SS*.THydrogen-bonded Turntrans55-127.6-176.6-48.6174171-85.2-1111.2F50R48-F50 VanDerWaalsContact C-N 3.26Å; R48-F50 HydrophobicContact CB-CD2 4.48Å; R48-F50 PolarHBondContact O-N 3.01Å
49E98.3Very high98.4Very high66 Ų6659.2 Ų59.231%0.30830%0.302SS..THydrogen-bonded Turntrans-79.52.1173.765.1-96.5-129.200114.3P28 H47 S66 S73P28-E49 WeakPolarHBondContact CG-O 3.25Å; H47-E49 PolarHBondContact O-N 3.25Å; E49-S66 WeakPolarHBondContact O-CB 3.28Å; E49-S66 PolarHBondContact O-OG 3.11Å; E49-S73 WeakPolarHBondContact OE1-CB 3.5Å
50F98.6Very high98.4Very high2 Ų259 Ų591%0.00930%0.296CS..EExtended strand (participates in β ladder)trans-104.697.9-175.9-46.1-65.4000110.7H8 L9 S46 H47 R48 S66 I76 A77H8-F50 HydrophobicContact CB-CD2 4.23Å; H8-F50 HydrophobicContact CB-CE2 4Å; L9-F50 HydrophobicContact CD2-CB 3.53Å; L9-F50 HydrophobicContact CD2-CD1 3.81Å; L9-F50 HydrophobicContact CD2-CD2 4.11Å; L9-F50 HydrophobicContact CD2-CG 3.54Å; S46-F50 CarbonylContact C-O 3.57Å; S46-F50 WeakPolarHBondContact CA-O 3.36Å; H47-F50 PolarHBondContact N-O 3.43Å; H47-F50 WeakPolarHBondContact O-CA 3.23Å; H47-F50 WeakPolarHBondContact O-CB 3.42Å; H47-F50 VanDerWaalsContact O-CD2 3.31Å; H47-F50 WeakPolarHBondContact O-CD2 3.15Å; H47-F50 PolarHBondContact O-N 2.96Å; R48-F50 VanDerWaalsContact C-N 3.26Å; R48-F50 HydrophobicContact CB-CD2 4.48Å; R48-F50 PolarHBondContact O-N 3.01Å; F50-S66 WeakPolarHBondContact CD1-O 3.37Å; F50-I76 HydrophobicContact CE2-CG2 4.38Å; F50-I76 HydrophobicContact CZ-CB 4.28Å; F50-I76 HydrophobicContact CZ-CG2 4.09Å; F50-A77 HydrophobicContact CD1-CB 4.17Å; F50-A77 HydrophobicContact CE1-CB 4.03Å
51T98.8Very high98.4Very high15 Ų1553.6 Ų53.69%0.09228%0.276CS..EExtended strand (participates in β ladder)trans-103.8130.1168.4-71.60000108.4V31 S46 C65 S66V31-T51 HydrophobicContact CB-CG2 4.13Å; V31-T51 HydrophobicContact CG1-CG2 4.15Å; V31-T51 HydrophobicContact CG2-CG2 4.46Å; V31-T51 WeakPolarHBondContact CG2-O 3.48Å; S46-T51 PolarHBondContact OG-OG1 3.47Å; T51-C65 WeakPolarHBondContact O-CA 3.42Å; T51-S66 PolarHBondContact N-OG 3.47Å; T51-S66 PolarHBondContact O-N 2.95Å
52T98.9Very high98.4Very high0 Ų051.2 Ų51.20%026%0.26CS..EExtended strand (participates in β ladder)trans-124131.6-177.2-47.30000111.4L11 L44 A45 I63 V64 C65L11-T52 HydrophobicContact CD1-CG2 3.83Å; L11-T52 HydrophobicContact CD2-CG2 4.25Å; L44-T52 HydrophobicContact CD1-CG2 4.14Å; L44-T52 PolarHBondContact N-O 2.69Å; A45-T52 PolarHBondContact N-O 3.05Å; A45-T52 PolarHBondContact O-N 3.01Å; T52-I63 HydrophobicContact CG2-CG2 3.63Å; T52-V64 CarbonylContact C-O 3.18Å; T52-V64 VanDerWaalsContact CA-O 3.31Å; T52-V64 WeakPolarHBondContact CA-O 3.32Å; T52-C65 HydrophobicContact CG2-CB 4.18Å; T52-C65 PolarHBondContact OG1-SG 3.07Å
53W98.9Very high98.4Very high32 Ų3248.1 Ų48.112%0.12124%0.241CC..EExtended strand (participates in β ladder)trans-122.8150.1169.7-75.660.1000109.8V31 E32 A35 P41 V42 K43 V64V31-W53 HydrophobicContact CG1-CB 4Å; V31-W53 VanDerWaalsContact CG1-CD1 3.47Å; V31-W53 HydrophobicContact CG1-CG 3.98Å; E32-W53 HydrophobicContact CB-CH2 4.36Å; E32-W53 HydrophobicContact CB-CZ2 3.75Å; E32-W53 HydrophobicContact CG-CH2 3.7Å; E32-W53 HydrophobicContact CG-CZ2 3.53Å; E32-W53 HydrophobicContact CG-CZ3 4.44Å; A35-W53 HydrophobicContact CB-CB 3.69Å; A35-W53 HydrophobicContact CB-CD2 4.1Å; A35-W53 HydrophobicContact CB-CE3 3.86Å; A35-W53 HydrophobicContact CB-CG 4.09Å; P41-W53 HydrophobicContact CB-CE3 3.91Å; P41-W53 HydrophobicContact CB-CZ3 3.97Å; V42-W53 WeakPolarHBondContact O-CA 3.45Å; K43-W53 HydrophobicContact CB-CD2 3.99Å; K43-W53 HydrophobicContact CB-CE3 4.47Å; K43-W53 HydrophobicContact CB-CG 4.44Å; K43-W53 HydrophobicContact CB-CH2 4.39Å; K43-W53 HydrophobicContact CB-CZ2 3.89Å; K43-W53 HydrophobicContact CD-CZ2 4.44Å; K43-W53 HydrophobicContact CG-CZ2 4.42Å; W53-V64 PolarHBondContact N-O 3.33Å; W53-V64 PolarHBondContact O-N 3.12Å
54R98.9Very high98.4Very high33 Ų3342.4 Ų42.413%0.12522%0.216CC..EExtended strand (participates in β ladder)trans-108143.1165.3-174.7179.169.4-119-6.4108.6D15 P41 V42 L44 V62 I63D15-R54 WeakPolarHBondContact O-CD 3.4Å; D15-R54 PolarHBondContact O-NH1 2.89Å; P41-R54 CarbonylContact C-O 3.58Å; P41-R54 WeakPolarHBondContact CA-O 3.05Å; V42-R54 PolarHBondContact N-O 2.91Å; V42-R54 PolarHBondContact O-N 3.1Å; L44-R54 HydrophobicContact CD1-CB 3.89Å; L44-R54 HydrophobicContact CD2-CB 4.09Å; L44-R54 HydrophobicContact CG-CB 4.09Å; R54-V62 WeakPolarHBondContact CA-O 3.18Å; R54-I63 HydrophobicContact CB-CD1 3.95Å; R54-I63 HydrophobicContact CG-CD1 4.1Å
55A98.8Very high98.4Very high1 Ų140.2 Ų40.21%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-143.7-176.2166.700000109M38 D39 P41 P61 V62M38-A55 HydrophobicContact CB-CB 3.48Å; M38-A55 VanDerWaalsContact CB-CB 3.48Å; M38-A55 HydrophobicContact CE-CB 3.82Å; M38-A55 HydrophobicContact CG-CB 4.42Å; M38-A55 HydrophobicContact SD-CB 4.27Å; D39-A55 CarbonylContact O-C 3.6Å; D39-A55 WeakPolarHBondContact O-CA 3.35Å; P41-A55 HydrophobicContact CB-CB 4.29Å; A55-P61 WeakPolarHBondContact O-CA 3.38Å; A55-V62 PolarHBondContact N-O 2.89Å; A55-V62 PolarHBondContact O-N 3.41Å
56E98.8Very high98.5Very high38 Ų3839.8 Ų39.818%0.17820%0.201CC..EExtended strand (participates in β ladder)trans-122.5137.9178-67.7174.7-16300110.8M38 D39 K40 K60M38-E56 WeakPolarHBondContact CB-O 3.5Å; D39-E56 HydrophobicContact CB-CB 4.15Å; D39-E56 PolarHBondContact N-O 3.38Å; D39-E56 PolarHBondContact O-N 3.23Å; K40-E56 IonicContact NZ-OE1 3.57Å; K40-E56 PolarHBondContact NZ-OE1 3.14Å; K40-E56 IonicContact NZ-OE2 2.87Å; K40-E56 PolarHBondContact NZ-OE2 3.1Å; E56-K60 CarbonylContact C-O 3.52Å; E56-K60 VanDerWaalsContact CA-O 3.31Å; E56-K60 WeakPolarHBondContact CA-O 3.33Å
57L98.3Very high98.5Very high3 Ų337 Ų372%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-119.3121.5165.9-84171.6000107.9M38 G59 K60 V62 V246 A249 L253M38-L57 HydrophobicContact CB-CD2 4.5Å; M38-L57 HydrophobicContact CB-CG 4.43Å; M38-L57 HydrophobicContact CG-CD1 4.18Å; M38-L57 HydrophobicContact CG-CD2 3.81Å; M38-L57 HydrophobicContact CG-CG 3.72Å; M38-L57 HydrophobicContact SD-CD1 3.61Å; M38-L57 HydrophobicContact SD-CD2 4.32Å; M38-L57 HydrophobicContact SD-CG 3.6Å; M38-L57 VanDerWaalsContact SD-CG 3.6Å; L57-G59 PolarHBondContact O-N 3.21Å; L57-G59 VanDerWaalsContact O-N 3.12Å; L57-K60 PolarHBondContact N-O 3.25Å; L57-K60 WeakPolarHBondContact O-CB 3.31Å; L57-K60 PolarHBondContact O-N 2.96Å; L57-V62 HydrophobicContact CB-CG2 4.24Å; L57-V62 HydrophobicContact CD1-CG2 4.18Å; L57-V62 HydrophobicContact CG-CG2 4.47Å; L57-V246 HydrophobicContact CD1-CG1 4.18Å; L57-V246 HydrophobicContact CD2-CG1 3.94Å; L57-A249 HydrophobicContact CD1-CB 3.8Å; L57-L253 HydrophobicContact CB-CD1 3.55Å; L57-L253 HydrophobicContact CD1-CD1 4.21Å
58D97.9Very high98.6Very high109 Ų10932.9 Ų32.958%0.58316%0.164SC*.THydrogen-bonded Turntrans50.239.3-179.8-55.8-8000112.4K60 R250D58-K60 VanDerWaalsContact C-N 3.3Å; D58-K60 PolarHBondContact O-N 3.41Å; D58-R250 IonicContact OD1-NE 2.72Å; D58-R250 PolarHBondContact OD1-NE 2.87Å; D58-R250 VanDerWaalsContact OD2-CD 3.31Å; D58-R250 WeakPolarHBondContact OD2-CD 3.43Å; D58-R250 VanDerWaalsContact OD2-CG 3.23Å; D58-R250 WeakPolarHBondContact OD2-CG 3.49Å; D58-R250 IonicContact OD2-NE 3.82Å; D58-R250 PolarHBondContact OD2-NE 3.37Å
59G97.9Very high98.7Very high55 Ų5529.5 Ų29.557%0.56716%0.161SC*.THydrogen-bonded Turntrans781.8-179.100000115.7L57L57-G59 PolarHBondContact O-N 3.21Å; L57-G59 VanDerWaalsContact O-N 3.12Å
60K98.7Very high98.7Very high94 Ų9426.7 Ų26.741%0.40915%0.149SC..EExtended strand (participates in β ladder)trans-101.8133.9177.4-66.8175.2175-176.10110.7E56 L57 D58 L253E56-K60 CarbonylContact C-O 3.52Å; E56-K60 VanDerWaalsContact CA-O 3.31Å; E56-K60 WeakPolarHBondContact CA-O 3.33Å; L57-K60 PolarHBondContact N-O 3.25Å; L57-K60 WeakPolarHBondContact O-CB 3.31Å; L57-K60 PolarHBondContact O-N 2.96Å; D58-K60 VanDerWaalsContact C-N 3.3Å; D58-K60 PolarHBondContact O-N 3.41Å; K60-L253 HydrophobicContact CB-CD1 4.25Å; K60-L253 HydrophobicContact CB-CD2 4.34Å; K60-L253 HydrophobicContact CD-CB 3.77Å; K60-L253 PolarHBondContact NZ-O 3.22Å; K60-L253 PolarHBondContact NZ-OXT 3.04Å
61P98.7Very high98.7Very high29 Ų2926.6 Ų26.619%0.18815%0.149CC..EExtended strand (participates in β ladder)trans-71.3135.6-178.729.1-34.6000111.6Q17 A19 A55Q17-P61 WeakPolarHBondContact O-CG 3.24Å; A19-P61 WeakPolarHBondContact CA-O 3.47Å; A19-P61 HydrophobicContact CB-CB 4.09Å; A19-P61 HydrophobicContact CB-CG 4.22Å; A19-P61 VanDerWaalsContact CB-O 3.32Å; A19-P61 WeakPolarHBondContact CB-O 3.32Å; A55-P61 WeakPolarHBondContact O-CA 3.38Å
62V98.9Very high98.7Very high0 Ų029.9 Ų29.90%017%0.17CC..EExtended strand (participates in β ladder)trans-126.9140.5176178.20000109.4L21 I23 M38 R54 A55 L57 L253L21-V62 HydrophobicContact CD2-CG1 3.75Å; I23-V62 HydrophobicContact CD1-CG1 4.47Å; I23-V62 HydrophobicContact CG1-CG1 4.46Å; M38-V62 HydrophobicContact CE-CG1 4.5Å; M38-V62 HydrophobicContact SD-CB 4.17Å; M38-V62 HydrophobicContact SD-CG1 4.17Å; R54-V62 WeakPolarHBondContact CA-O 3.18Å; A55-V62 PolarHBondContact N-O 2.89Å; A55-V62 PolarHBondContact O-N 3.41Å; L57-V62 HydrophobicContact CB-CG2 4.24Å; L57-V62 HydrophobicContact CD1-CG2 4.18Å; L57-V62 HydrophobicContact CG-CG2 4.47Å; V62-L253 HydrophobicContact CG2-CD1 3.64Å; V62-L253 HydrophobicContact CG2-CD2 4Å; V62-L253 HydrophobicContact CG2-CG 4.35Å
63I98.9Very high98.7Very high0 Ų030.3 Ų30.30%017%0.173CC..EExtended strand (participates in β ladder)trans-97.6140.8174-64.5-60.4000110.3L16 A19 L21 A22 I23 L44 T52 R54 C65 L81 I86L16-I63 HydrophobicContact CD1-CD1 4.17Å; L16-I63 HydrophobicContact CD1-CG1 4.38Å; L16-I63 HydrophobicContact CD2-CG1 4.34Å; L16-I63 HydrophobicContact CG-CD1 3.88Å; L16-I63 HydrophobicContact CG-CG1 3.77Å; A19-I63 HydrophobicContact CB-CD1 4.47Å; A19-I63 HydrophobicContact CB-CG1 3.83Å; L21-I63 PolarHBondContact O-N 2.8Å; L21-I63 VanDerWaalsContact O-N 3.12Å; A22-I63 CarbonylContact C-O 3.52Å; A22-I63 WeakPolarHBondContact CA-O 3.13Å; A22-I63 HydrophobicContact CB-CB 4.17Å; A22-I63 HydrophobicContact CB-CG2 4.33Å; I23-I63 PolarHBondContact N-O 2.83Å; L44-I63 HydrophobicContact CD1-CD1 3.92Å; T52-I63 HydrophobicContact CG2-CG2 3.63Å; R54-I63 HydrophobicContact CB-CD1 3.95Å; R54-I63 HydrophobicContact CG-CD1 4.1Å; I63-C65 HydrophobicContact CG2-CB 4.05Å; I63-L81 HydrophobicContact CG2-CD2 4.13Å; I63-I86 HydrophobicContact CB-CD1 4.36Å; I63-I86 HydrophobicContact CG1-CD1 4.09Å
64V98.9Very high98.7Very high0 Ų028.9 Ų28.90%017%0.168CC..EExtended strand (participates in β ladder)trans-117.1120.5163.4-167.50000107.3I23 P25 V31 I34 A35 M38 T52 W53I23-V64 HydrophobicContact CB-CG1 4.42Å; I23-V64 HydrophobicContact CB-CG2 4.48Å; I23-V64 VanDerWaalsContact O-CA 3.3Å; I23-V64 WeakPolarHBondContact O-CA 3.44Å; P25-V64 HydrophobicContact CG-CG1 4.24Å; V31-V64 HydrophobicContact CB-CG1 4.27Å; V31-V64 HydrophobicContact CG1-CB 3.91Å; V31-V64 HydrophobicContact CG1-CG1 3.78Å; V31-V64 WeakPolarHBondContact CG1-O 3.21Å; V31-V64 HydrophobicContact CG2-CG1 4.47Å; I34-V64 HydrophobicContact CB-CG1 3.96Å; I34-V64 HydrophobicContact CB-CG2 4.45Å; I34-V64 HydrophobicContact CD1-CG1 4.13Å; I34-V64 HydrophobicContact CG2-CG1 3.92Å; I34-V64 HydrophobicContact CG2-CG2 3.85Å; A35-V64 HydrophobicContact CB-CG2 4.27Å; M38-V64 HydrophobicContact CE-CG2 3.42Å; M38-V64 VanDerWaalsContact CE-CG2 3.42Å; T52-V64 CarbonylContact C-O 3.18Å; T52-V64 VanDerWaalsContact CA-O 3.31Å; T52-V64 WeakPolarHBondContact CA-O 3.32Å; W53-V64 PolarHBondContact N-O 3.33Å; W53-V64 PolarHBondContact O-N 3.12Å
65C98.9Very high98.7Very high0 Ų028.5 Ų28.50%017%0.17CC..EExtended strand (participates in β ladder)trans-138123-176.2-172.80000110.9I23 V24 T51 T52 I63 L81I23-C65 PolarHBondContact O-N 3.08Å; V24-C65 VanDerWaalsContact CA-O 3.28Å; V24-C65 WeakPolarHBondContact CA-O 3.46Å; T51-C65 WeakPolarHBondContact O-CA 3.42Å; T52-C65 HydrophobicContact CG2-CB 4.18Å; T52-C65 PolarHBondContact OG1-SG 3.07Å; I63-C65 HydrophobicContact CG2-CB 4.05Å; C65-L81 HydrophobicContact CB-CD1 3.97Å; C65-L81 HydrophobicContact CB-CD2 4.39Å
66S98.9Very high98.7Very high0 Ų030.9 Ų30.90%018%0.183CC..  trans-71.2153.1175.654.60000112.3P25 P28 E49 F50 T51P25-S66 CarbonylContact O-C 3.45Å; P25-S66 WeakPolarHBondContact O-CA 3.49Å; P28-S66 WeakPolarHBondContact CA-OG 3.38Å; E49-S66 WeakPolarHBondContact O-CB 3.28Å; E49-S66 PolarHBondContact O-OG 3.11Å; F50-S66 WeakPolarHBondContact CD1-O 3.37Å; T51-S66 PolarHBondContact N-OG 3.47Å; T51-S66 PolarHBondContact O-N 2.95Å
67T98.8Very high98.7Very high0 Ų029.1 Ų29.10%018%0.175CC..  trans-110.7-15.1-179.665.50000114.1V24 P25 S73 T74 A77 R91V24-T67 HydrophobicContact CB-CG2 3.9Å; P25-T67 PolarHBondContact O-N 2.72Å; T67-S73 CarbonylContact O-C 3.43Å; T67-S73 WeakPolarHBondContact O-CB 3.42Å; T67-S73 PolarHBondContact O-OG 3.49Å; T67-T74 HydrophobicContact CG2-CG2 4.45Å; T67-A77 HydrophobicContact CG2-CB 4.17Å; T67-R91 PolarHBondContact OG1-NH1 2.86Å
68G98.5Very high98.7Very high7 Ų729 Ų297%0.07217%0.174CC..  trans71.7-167.2-162.600000113.3G26G26-G68 WeakPolarHBondContact O-CA 3.31Å; G26-G68 PolarHBondContact O-N 3.13Å
69I98.8Very high98.8Very high136 Ų13627 Ų2770%0.69716%0.161SC*.SBendtrans-98130.2-177.6-61.8171.3000109.5S73 M197 E198I69-S73 PolarHBondContact O-OG 2.63Å; I69-M197 HydrophobicContact CG2-CE 3.93Å; I69-M197 HydrophobicContact CG2-SD 4.25Å; I69-E198 WeakPolarHBondContact CA-OE1 3.34Å
70G98.7Very high98.8Very high7 Ų724.8 Ų24.87%0.07214%0.136CC..SBendtrans97.4159.517300000114.9P72 S73 T74 M197 E198G70-P72 VanDerWaalsContact C-CD 3.49Å; G70-S73 PolarHBondContact O-OG 2.83Å; G70-T74 WeakPolarHBondContact O-CB 3.28Å; G70-T74 PolarHBondContact O-N 3.36Å; G70-T74 PolarHBondContact O-OG1 2.91Å; G70-M197 WeakPolarHBondContact CA-O 3.33Å; G70-E198 PolarHBondContact N-OE1 3.25Å
71G98.8Very high98.8Very high0 Ų020.3 Ų20.30%012%0.117CC..Hα-helixtrans-53.5-44.1173.800000115.4S73 T74 S75 M197 T201G71-S73 PolarHBondContact O-N 3.13Å; G71-T74 WeakPolarHBondContact O-CB 3.3Å; G71-T74 PolarHBondContact O-N 3.49Å; G71-S75 PolarHBondContact O-N 2.87Å; G71-M197 PolarHBondContact N-O 2.97Å; G71-T201 WeakPolarHBondContact CA-OG1 3.29Å
72P98.8Very high98.8Very high83 Ų8319.6 Ų19.654%0.53911%0.113SC..Hα-helixtrans-57.3-52-176.3-2936.6000114.3G70 S75 I76G70-P72 VanDerWaalsContact C-CD 3.49Å; P72-S75 PolarHBondContact O-N 2.94Å; P72-S75 PolarHBondContact O-OG 3.5Å; P72-I76 PolarHBondContact O-N 3.29Å
73S98.7Very high98.8Very high9 Ų924.4 Ų24.46%0.06314%0.135CC..Hα-helixtrans-71.1-33.9179.261.80000111.8E49 T67 I69 G70 G71 S75 I76 A77E49-S73 WeakPolarHBondContact OE1-CB 3.5Å; T67-S73 CarbonylContact O-C 3.43Å; T67-S73 WeakPolarHBondContact O-CB 3.42Å; T67-S73 PolarHBondContact O-OG 3.49Å; I69-S73 PolarHBondContact O-OG 2.63Å; G70-S73 PolarHBondContact O-OG 2.83Å; G71-S73 PolarHBondContact O-N 3.13Å; S73-S75 VanDerWaalsContact C-N 3.32Å; S73-S75 PolarHBondContact O-N 2.95Å; S73-I76 PolarHBondContact O-N 3.05Å; S73-A77 PolarHBondContact O-N 2.78Å; S73-A77 VanDerWaalsContact O-N 3.11Å
74T98.9Very high98.8Very high2 Ų224.7 Ų24.71%0.01214%0.137CC..Hα-helixtrans-58.7-43.1172.5-610000111.8T67 G70 G71 I76 A77 V78 E198 L202T67-T74 HydrophobicContact CG2-CG2 4.45Å; G70-T74 WeakPolarHBondContact O-CB 3.28Å; G70-T74 PolarHBondContact O-N 3.36Å; G70-T74 PolarHBondContact O-OG1 2.91Å; G71-T74 WeakPolarHBondContact O-CB 3.3Å; G71-T74 PolarHBondContact O-N 3.49Å; T74-I76 VanDerWaalsContact C-N 3.3Å; T74-I76 PolarHBondContact O-N 2.87Å; T74-A77 PolarHBondContact O-N 2.88Å; T74-V78 HydrophobicContact CG2-CG2 4.22Å; T74-V78 WeakPolarHBondContact O-CG2 3.21Å; T74-V78 PolarHBondContact O-N 3.44Å; T74-E198 HydrophobicContact CG2-CB 4.48Å; T74-E198 WeakPolarHBondContact OG1-CG 3.45Å; T74-L202 HydrophobicContact CG2-CB 4.24Å
75S98.9Very high98.8Very high25 Ų2525.3 Ų25.318%0.17514%0.144CC..Hα-helixtrans-62.1-36.8178.975.70000112.7G71 P72 S73 E79G71-S75 PolarHBondContact O-N 2.87Å; P72-S75 PolarHBondContact O-N 2.94Å; P72-S75 PolarHBondContact O-OG 3.5Å; S73-S75 VanDerWaalsContact C-N 3.32Å; S73-S75 PolarHBondContact O-N 2.95Å; S75-E79 VanDerWaalsContact O-CB 3.23Å; S75-E79 WeakPolarHBondContact O-CB 3.42Å; S75-E79 PolarHBondContact O-N 2.89Å
76I98.8Very high98.8Very high52 Ų5225.3 Ų25.327%0.26714%0.144SC..Hα-helixtrans-65.2-49.5175-64.8170.6000110.3H8 F50 P72 S73 T74 V78 E79 E80H8-I76 HydrophobicContact CB-CG2 3.76Å; H8-I76 WeakPolarHBondContact ND1-CG2 3.48Å; F50-I76 HydrophobicContact CE2-CG2 4.38Å; F50-I76 HydrophobicContact CZ-CB 4.28Å; F50-I76 HydrophobicContact CZ-CG2 4.09Å; P72-I76 PolarHBondContact O-N 3.29Å; S73-I76 PolarHBondContact O-N 3.05Å; T74-I76 VanDerWaalsContact C-N 3.3Å; T74-I76 PolarHBondContact O-N 2.87Å; I76-V78 PolarHBondContact O-N 3.36Å; I76-E79 PolarHBondContact O-N 2.87Å; I76-E80 WeakPolarHBondContact O-CG 3.37Å; I76-E80 PolarHBondContact O-N 3.46Å
77A98.9Very high98.8Very high1 Ų131 Ų311%0.00817%0.165CC..Hα-helixtrans-61.8-44.7-178.200000111.9F50 T67 S73 T74 L81F50-A77 HydrophobicContact CD1-CB 4.17Å; F50-A77 HydrophobicContact CE1-CB 4.03Å; T67-A77 HydrophobicContact CG2-CB 4.17Å; S73-A77 PolarHBondContact O-N 2.78Å; S73-A77 VanDerWaalsContact O-N 3.11Å; T74-A77 PolarHBondContact O-N 2.88Å; A77-L81 VanDerWaalsContact O-CB 3.25Å; A77-L81 WeakPolarHBondContact O-CB 3.08Å; A77-L81 WeakPolarHBondContact O-CD1 3.41Å; A77-L81 WeakPolarHBondContact O-CG 3.42Å; A77-L81 PolarHBondContact O-N 3.44Å
78V98.9Very high98.8Very high1 Ų131.1 Ų31.11%0.00617%0.166CC..Hα-helixtrans-65-46.2179.3173.90000111.2T74 I76 A82 F89 L202 M205 L211T74-V78 HydrophobicContact CG2-CG2 4.22Å; T74-V78 WeakPolarHBondContact O-CG2 3.21Å; T74-V78 PolarHBondContact O-N 3.44Å; I76-V78 PolarHBondContact O-N 3.36Å; V78-A82 VanDerWaalsContact O-CB 3.27Å; V78-A82 WeakPolarHBondContact O-CB 3.31Å; V78-A82 PolarHBondContact O-N 2.85Å; V78-F89 HydrophobicContact CB-CE1 4.37Å; V78-F89 HydrophobicContact CG1-CE1 4.15Å; V78-F89 HydrophobicContact CG1-CE2 4.25Å; V78-F89 HydrophobicContact CG1-CZ 3.96Å; V78-F89 HydrophobicContact CG2-CD1 4.32Å; V78-F89 HydrophobicContact CG2-CE1 4.32Å; V78-L202 HydrophobicContact CG2-CD1 3.59Å; V78-M205 HydrophobicContact CB-CE 4.33Å; V78-M205 HydrophobicContact CB-SD 3.9Å; V78-M205 HydrophobicContact CG1-CE 4.15Å; V78-M205 HydrophobicContact CG1-CG 4.4Å; V78-M205 HydrophobicContact CG1-SD 3.78Å; V78-L211 HydrophobicContact CG1-CD1 4.16Å
79E98.9Very high98.8Very high67 Ų6730.8 Ų30.831%0.31316%0.162SC..Hα-helixtrans-58.3-53178176.656.3-152.700111.6S75 I76 L81 A82 Q83 M205S75-E79 VanDerWaalsContact O-CB 3.23Å; S75-E79 WeakPolarHBondContact O-CB 3.42Å; S75-E79 PolarHBondContact O-N 2.89Å; I76-E79 PolarHBondContact O-N 2.87Å; E79-L81 PolarHBondContact O-N 2.78Å; E79-A82 WeakPolarHBondContact O-CB 3.47Å; E79-A82 PolarHBondContact O-N 3.28Å; E79-Q83 WeakPolarHBondContact O-CG 3.25Å; E79-Q83 PolarHBondContact O-N 3.3Å; E79-Q83 PolarHBondContact OE1-NE2 3.39Å; E79-M205 HydrophobicContact CB-CE 3.89Å
80E98.8Very high98.8Very high8 Ų824.3 Ų24.34%0.03713%0.129CC..Hα-helixtrans-67.6-38.7-176.6-69.1-167.7-175.400112.1V6 F7 H8 L9 I76 A82 Q83 L84V6-E80 HydrophobicContact CB-CB 3.94Å; V6-E80 HydrophobicContact CB-CG 3.85Å; V6-E80 VanDerWaalsContact CB-OE2 3.28Å; V6-E80 WeakPolarHBondContact CB-OE2 3.19Å; V6-E80 HydrophobicContact CG1-CB 3.99Å; V6-E80 HydrophobicContact CG1-CG 4.22Å; V6-E80 HydrophobicContact CG2-CB 4.18Å; V6-E80 HydrophobicContact CG2-CG 4.43Å; V6-E80 WeakPolarHBondContact CG2-OE2 3.41Å; F7-E80 WeakPolarHBondContact CB-OE1 3.49Å; F7-E80 PolarHBondContact N-OE1 2.83Å; F7-E80 VanDerWaalsContact N-OE1 3.15Å; H8-E80 WeakPolarHBondContact CB-OE1 3.31Å; H8-E80 IonicContact CE1-OE1 3.3Å; H8-E80 IonicContact CG-OE1 3.67Å; H8-E80 VanDerWaalsContact N-CD 3.34Å; H8-E80 PolarHBondContact N-OE1 3.12Å; H8-E80 PolarHBondContact N-OE2 3.15Å; H8-E80 IonicContact ND1-OE1 2.72Å; H8-E80 PolarHBondContact ND1-OE1 2.97Å; L9-E80 HydrophobicContact CD1-CB 3.56Å; L9-E80 HydrophobicContact CG-CB 3.84Å; L9-E80 VanDerWaalsContact CG-OE2 3.3Å; L9-E80 WeakPolarHBondContact CG-OE2 3.48Å; L9-E80 PolarHBondContact N-OE2 2.84Å; I76-E80 WeakPolarHBondContact O-CG 3.37Å; I76-E80 PolarHBondContact O-N 3.46Å; E80-A82 VanDerWaalsContact C-N 3.32Å; E80-A82 PolarHBondContact O-N 3.01Å; E80-Q83 PolarHBondContact O-N 2.86Å; E80-L84 VanDerWaalsContact O-CG 3.24Å; E80-L84 WeakPolarHBondContact O-CG 3.34Å; E80-L84 PolarHBondContact O-N 2.65Å
81L98.9Very high98.8Very high0 Ų024.4 Ų24.40%013%0.128CC..Hα-helixtrans-63-39.2172.6-73.2171.7000111.7L9 A22 V24 I63 C65 A77 E79 L84 G85 I86 F89L9-L81 HydrophobicContact CD1-CD2 3.94Å; L9-L81 HydrophobicContact CD1-CG 3.77Å; A22-L81 HydrophobicContact CB-CD1 4.1Å; V24-L81 HydrophobicContact CG1-CD1 4.11Å; I63-L81 HydrophobicContact CG2-CD2 4.13Å; C65-L81 HydrophobicContact CB-CD1 3.97Å; C65-L81 HydrophobicContact CB-CD2 4.39Å; A77-L81 VanDerWaalsContact O-CB 3.25Å; A77-L81 WeakPolarHBondContact O-CB 3.08Å; A77-L81 WeakPolarHBondContact O-CD1 3.41Å; A77-L81 WeakPolarHBondContact O-CG 3.42Å; A77-L81 PolarHBondContact O-N 3.44Å; E79-L81 PolarHBondContact O-N 2.78Å; L81-L84 PolarHBondContact O-N 2.8Å; L81-G85 PolarHBondContact O-N 3.01Å; L81-G85 VanDerWaalsContact O-N 3.11Å; L81-I86 HydrophobicContact CB-CB 4.03Å; L81-I86 HydrophobicContact CB-CG1 3.91Å; L81-I86 HydrophobicContact CD2-CG1 4.13Å; L81-I86 WeakPolarHBondContact O-CB 3.43Å; L81-I86 WeakPolarHBondContact O-CG1 3.19Å; L81-I86 PolarHBondContact O-N 2.91Å; L81-F89 HydrophobicContact CB-CE1 3.8Å; L81-F89 HydrophobicContact CB-CZ 4.12Å; L81-F89 HydrophobicContact CD1-CE1 3.92Å
82A98.8Very high98.8Very high14 Ų1424.5 Ų24.512%0.11613%0.128CC..Hα-helixtrans-65.7-41.5175.900000111.8V78 E79 E80 L84 G85 I86 R87 F89 L211V78-A82 VanDerWaalsContact O-CB 3.27Å; V78-A82 WeakPolarHBondContact O-CB 3.31Å; V78-A82 PolarHBondContact O-N 2.85Å; E79-A82 WeakPolarHBondContact O-CB 3.47Å; E79-A82 PolarHBondContact O-N 3.28Å; E80-A82 VanDerWaalsContact C-N 3.32Å; E80-A82 PolarHBondContact O-N 3.01Å; A82-L84 PolarHBondContact O-N 3.17Å; A82-G85 PolarHBondContact O-N 2.9Å; A82-G85 VanDerWaalsContact O-N 3.09Å; A82-I86 WeakPolarHBondContact CA-O 3.24Å; A82-R87 PolarHBondContact O-NH1 2.72Å; A82-F89 HydrophobicContact CB-CZ 4.43Å; A82-L211 HydrophobicContact CB-CD1 3.95Å; A82-L211 HydrophobicContact CB-CD2 4.23Å
83Q98.7Very high98.8Very high100 Ų10021.3 Ų21.347%0.46711%0.11SC..Hα-helixtrans-57.6-37.6172.3-70.5178.223.500111.9V6 E79 E80 G85V6-Q83 HydrophobicContact CG1-CB 4.37Å; E79-Q83 WeakPolarHBondContact O-CG 3.25Å; E79-Q83 PolarHBondContact O-N 3.3Å; E79-Q83 PolarHBondContact OE1-NE2 3.39Å; E80-Q83 PolarHBondContact O-N 2.86Å; Q83-G85 VanDerWaalsContact C-N 3.32Å; Q83-G85 PolarHBondContact O-N 3.47Å
84L98.7Very high98.6Very high6 Ų623.3 Ų23.33%0.03112%0.122CC..Hα-helixtrans-78.4-11.5178.8-64.5171.4000114.2D5 V6 L11 K13 L16 E80 L81 A82D5-L84 HydrophobicContact CB-CD2 4.04Å; V6-L84 HydrophobicContact CG1-CD1 4.13Å; V6-L84 HydrophobicContact CG1-CD2 3.95Å; V6-L84 HydrophobicContact CG1-CG 3.82Å; V6-L84 HydrophobicContact CG2-CD1 4.13Å; L11-L84 HydrophobicContact CB-CD1 3.66Å; L11-L84 HydrophobicContact CD1-CD1 4.04Å; K13-L84 HydrophobicContact CB-CD2 4.3Å; L16-L84 HydrophobicContact CD1-CB 4.39Å; L16-L84 HydrophobicContact CD1-CD1 4.22Å; L16-L84 HydrophobicContact CD2-CB 3.73Å; E80-L84 VanDerWaalsContact O-CG 3.24Å; E80-L84 WeakPolarHBondContact O-CG 3.34Å; E80-L84 PolarHBondContact O-N 2.65Å; L81-L84 PolarHBondContact O-N 2.8Å; A82-L84 PolarHBondContact O-N 3.17Å
85G98.6Very high98.6Very high14 Ų1423.5 Ų23.514%0.14412%0.123CC..THydrogen-bonded Turntrans119.90.2172.600000115.9L81 A82 Q83 R87L81-G85 PolarHBondContact O-N 3.01Å; L81-G85 VanDerWaalsContact O-N 3.11Å; A82-G85 PolarHBondContact O-N 2.9Å; A82-G85 VanDerWaalsContact O-N 3.09Å; Q83-G85 VanDerWaalsContact C-N 3.32Å; Q83-G85 PolarHBondContact O-N 3.47Å; G85-R87 PolarHBondContact O-NH1 2.86Å
86I98.9Very high98.4Very high0 Ų023 Ų230%012%0.122CC..  trans-68.5134.2174.9-57.6-60.3000110.4L16 A19 A22 I63 L81 A82 T88 F89L16-I86 HydrophobicContact CD2-CD1 3.73Å; L16-I86 HydrophobicContact CD2-CG1 3.85Å; A19-I86 HydrophobicContact CB-CD1 4.12Å; A22-I86 HydrophobicContact CB-CD1 4.32Å; A22-I86 HydrophobicContact CB-CG1 4.26Å; A22-I86 HydrophobicContact CB-CG2 3.73Å; I63-I86 HydrophobicContact CB-CD1 4.36Å; I63-I86 HydrophobicContact CG1-CD1 4.09Å; L81-I86 HydrophobicContact CB-CB 4.03Å; L81-I86 HydrophobicContact CB-CG1 3.91Å; L81-I86 HydrophobicContact CD2-CG1 4.13Å; L81-I86 WeakPolarHBondContact O-CB 3.43Å; L81-I86 WeakPolarHBondContact O-CG1 3.19Å; L81-I86 PolarHBondContact O-N 2.91Å; A82-I86 WeakPolarHBondContact CA-O 3.24Å; I86-T88 WeakPolarHBondContact CG2-O 3.31Å; I86-F89 HydrophobicContact CB-CE1 4.35Å; I86-F89 HydrophobicContact CB-CZ 3.99Å; I86-F89 HydrophobicContact CG2-CD1 4.17Å; I86-F89 HydrophobicContact CG2-CD2 4.35Å; I86-F89 HydrophobicContact CG2-CE1 3.69Å; I86-F89 HydrophobicContact CG2-CE2 3.87Å; I86-F89 HydrophobicContact CG2-CG 4.49Å; I86-F89 HydrophobicContact CG2-CZ 3.53Å
87R98.8Very high98.4Very high118 Ų11820.5 Ų20.545%0.44511%0.109SC..  trans-123.1-14-179.6-59.3-63.9172.2-100.25.7113.2T20 A82 G85 R212T20-R87 PolarHBondContact O-N 3.12Å; A82-R87 PolarHBondContact O-NH1 2.72Å; G85-R87 PolarHBondContact O-NH1 2.86Å; R87-R212 PolarHBondContact O-N 2.95Å
88T99Very high98.4Very high3 Ų320.5 Ų20.52%0.01811%0.109CC..EExtended strand (participates in β ladder)trans-128.5129-178.8-50.70000110.4T20 L21 A22 I86 R212 L252T20-T88 PolarHBondContact O-N 2.94Å; L21-T88 CarbonylContact C-O 3.56Å; L21-T88 WeakPolarHBondContact CA-O 3.5Å; L21-T88 HydrophobicContact CD1-CG2 3.88Å; L21-T88 HydrophobicContact CG-CG2 4.1Å; A22-T88 PolarHBondContact N-O 3.24Å; I86-T88 WeakPolarHBondContact CG2-O 3.31Å; T88-R212 CarbonylContact C-O 3.5Å; T88-R212 WeakPolarHBondContact CA-O 3.5Å; T88-R212 HydrophobicContact CG2-CB 4.23Å; T88-R212 PolarHBondContact OG1-NE 3.31Å; T88-R212 VanDerWaalsContact OG1-NE 3.12Å; T88-R212 PolarHBondContact OG1-NH2 2.58Å; T88-L252 HydrophobicContact CG2-CD1 4.2Å
89F99Very high98.3Very high0 Ų021.4 Ų21.40%011%0.113CC..EExtended strand (participates in β ladder)trans-123.8121.6-176.1-63.4-93.3000110.6A22 V24 V78 L81 A82 I86 L202 L211 R212 A213 G214A22-F89 HydrophobicContact CB-CD1 4.4Å; A22-F89 WeakPolarHBondContact O-CA 3.27Å; V24-F89 HydrophobicContact CG1-CD1 4.15Å; V78-F89 HydrophobicContact CB-CE1 4.37Å; V78-F89 HydrophobicContact CG1-CE1 4.15Å; V78-F89 HydrophobicContact CG1-CE2 4.25Å; V78-F89 HydrophobicContact CG1-CZ 3.96Å; V78-F89 HydrophobicContact CG2-CD1 4.32Å; V78-F89 HydrophobicContact CG2-CE1 4.32Å; L81-F89 HydrophobicContact CB-CE1 3.8Å; L81-F89 HydrophobicContact CB-CZ 4.12Å; L81-F89 HydrophobicContact CD1-CE1 3.92Å; A82-F89 HydrophobicContact CB-CZ 4.43Å; I86-F89 HydrophobicContact CB-CE1 4.35Å; I86-F89 HydrophobicContact CB-CZ 3.99Å; I86-F89 HydrophobicContact CG2-CD1 4.17Å; I86-F89 HydrophobicContact CG2-CD2 4.35Å; I86-F89 HydrophobicContact CG2-CE1 3.69Å; I86-F89 HydrophobicContact CG2-CE2 3.87Å; I86-F89 HydrophobicContact CG2-CG 4.49Å; I86-F89 HydrophobicContact CG2-CZ 3.53Å; F89-L202 HydrophobicContact CB-CD1 4.24Å; F89-L211 HydrophobicContact CD2-CB 4.33Å; F89-L211 HydrophobicContact CE2-CB 4.12Å; F89-L211 HydrophobicContact CE2-CD1 3.88Å; F89-L211 HydrophobicContact CE2-CD2 4.27Å; F89-L211 HydrophobicContact CE2-CG 4.31Å; F89-R212 PolarHBondContact N-O 3.09Å; F89-A213 HydrophobicContact CB-CB 4.34Å; F89-A213 VanDerWaalsContact O-CA 3.25Å; F89-A213 WeakPolarHBondContact O-CA 3.38Å; F89-G214 PolarHBondContact O-N 2.98Å
90L98.9Very high98.3Very high0 Ų022.1 Ų22.10%012%0.124CC..EExtended strand (participates in β ladder)trans-112.6107.5175.3-62.3-179.6000110.1L21 A22 I23 V24 C136 L140 V245 A248 A249 L252L21-L90 HydrophobicContact CD1-CD1 4.44Å; L21-L90 HydrophobicContact CD2-CD1 4.37Å; A22-L90 PolarHBondContact O-N 3.46Å; I23-L90 CarbonylContact C-O 3.54Å; I23-L90 WeakPolarHBondContact CA-O 3.31Å; I23-L90 HydrophobicContact CG1-CB 4.48Å; V24-L90 PolarHBondContact N-O 2.91Å; L90-C136 HydrophobicContact CD2-CB 4.15Å; L90-L140 HydrophobicContact CD2-CD1 4.47Å; L90-V245 HydrophobicContact CB-CG2 3.65Å; L90-V245 HydrophobicContact CD1-CG2 4.16Å; L90-A248 HydrophobicContact CD1-CB 4.28Å; L90-A249 HydrophobicContact CD1-CB 3.88Å; L90-L252 HydrophobicContact CD1-CD1 4.02Å; L90-L252 HydrophobicContact CD2-CD1 3.78Å; L90-L252 HydrophobicContact CG-CD1 4.29Å
91R98.9Very high98.2Very high10 Ų1027.1 Ų27.14%0.03815%0.147CC..EExtended strand (participates in β ladder)trans-79.6132.2175179.559.7167.1-170.1-1.7109.9V24 P25 G26 T67 E198 L202 G214 M215 V216V24-R91 HydrophobicContact CG2-CB 4.3Å; V24-R91 WeakPolarHBondContact O-CD 3.24Å; V24-R91 PolarHBondContact O-NH1 3.02Å; P25-R91 PolarHBondContact O-NH1 3.46Å; G26-R91 VanDerWaalsContact N-NH1 3.18Å; T67-R91 PolarHBondContact OG1-NH1 2.86Å; R91-E198 IonicContact CZ-OE2 3.79Å; R91-E198 IonicContact NE-OE2 2.72Å; R91-E198 VanDerWaalsContact NH2-CG 3.27Å; R91-E198 IonicContact NH2-OE1 3.44Å; R91-E198 IonicContact NH2-OE2 3.33Å; R91-E198 PolarHBondContact NH2-OE2 3.36Å; R91-L202 HydrophobicContact CB-CD2 3.59Å; R91-L202 HydrophobicContact CG-CD2 4.23Å; R91-G214 PolarHBondContact N-O 2.87Å; R91-M215 HydrophobicContact CB-CB 3.95Å; R91-M215 HydrophobicContact CB-CG 3.85Å; R91-M215 HydrophobicContact CB-SD 4.35Å; R91-M215 HydrophobicContact CG-CB 4.31Å; R91-M215 HydrophobicContact CG-CG 3.69Å; R91-M215 HydrophobicContact CG-SD 3.66Å; R91-M215 WeakPolarHBondContact O-CA 3.33Å; R91-V216 PolarHBondContact O-N 3.22Å
92I98.7Very high98.2Very high2 Ų227.1 Ų27.11%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-125.9123.3173.5171.360.5000109.8I23 P25 I34 V216 A241 V242 V245I23-I92 HydrophobicContact CG2-CG2 3.67Å; P25-I92 HydrophobicContact CB-CG2 4.07Å; I34-I92 HydrophobicContact CD1-CG2 3.88Å; I92-V216 WeakPolarHBondContact CA-O 3.46Å; I92-V216 HydrophobicContact CB-CG1 4.41Å; I92-V216 HydrophobicContact CD1-CG1 3.84Å; I92-A241 HydrophobicContact CD1-CB 3.41Å; I92-A241 VanDerWaalsContact CD1-CB 3.41Å; I92-V242 HydrophobicContact CG1-CG2 4.41Å; I92-V245 HydrophobicContact CB-CB 4.17Å; I92-V245 HydrophobicContact CB-CG1 3.99Å; I92-V245 HydrophobicContact CB-CG2 4.19Å; I92-V245 HydrophobicContact CG1-CG1 4.17Å; I92-V245 HydrophobicContact CG2-CG1 4.09Å; I92-V245 HydrophobicContact CG2-CG2 4.47Å
93G97.7Very high98.1Very high16 Ų1630.2 Ų30.217%0.16516%0.162CC..EExtended strand (participates in β ladder)trans-134.8178.2-179.600000113.8V216 A217 G218G93-V216 PolarHBondContact N-O 3.03Å; G93-A217 VanDerWaalsContact O-CA 3.29Å; G93-A217 WeakPolarHBondContact O-CA 3.14Å; G93-G218 PolarHBondContact O-N 3.48Å
94T96.1Very high97.9Very high50 Ų5028.2 Ų28.231%0.30716%0.156SC..EExtended strand (participates in β ladder)trans-119.5148.9160.945.20000107.6G218 I220 E238T94-G218 CarbonylContact C-O 3.59Å; T94-G218 VanDerWaalsContact CA-O 3.26Å; T94-G218 WeakPolarHBondContact CA-O 3.48Å; T94-I220 HydrophobicContact CG2-CG2 3.75Å; T94-E238 HydrophobicContact CG2-CB 4.44Å
95T97.4Very high97.7Very high6 Ų628.8 Ų28.84%0.03716%0.164CC..EExtended strand (participates in β ladder)trans-145158.3-170-171.40000113.3L108 N194 Y195 A217 G218 V219 I220T95-L108 HydrophobicContact CG2-CD1 3.74Å; T95-L108 HydrophobicContact CG2-CG 4.4Å; T95-N194 HydrophobicContact CG2-CB 4.18Å; T95-N194 WeakPolarHBondContact OG1-CB 3.47Å; T95-N194 PolarHBondContact OG1-ND2 3.02Å; T95-Y195 PolarHBondContact OG1-O 3.34Å; T95-A217 HydrophobicContact CG2-CB 3.68Å; T95-G218 PolarHBondContact N-O 2.82Å; T95-V219 HydrophobicContact CG2-CG2 4.32Å; T95-I220 WeakPolarHBondContact O-CG1 3.41Å; T95-I220 PolarHBondContact O-N 3.19Å
96G95.4Very high97.7Very high15 Ų1528.8 Ų28.816%0.15516%0.16CC..EExtended strand (participates in β ladder)trans-94.9122.316500000111.4N194 Y195 V221G96-N194 WeakPolarHBondContact O-CA 3.39Å; G96-N194 VanDerWaalsContact O-CB 3.23Å; G96-N194 WeakPolarHBondContact O-CB 3.49Å; G96-Y195 PolarHBondContact O-N 3.33Å; G96-V221 CarbonylContact C-O 3.57Å; G96-V221 VanDerWaalsContact CA-O 3.31Å; G96-V221 WeakPolarHBondContact CA-O 3.39Å
97A98.3Very high97.6Very high0 Ų028.8 Ų28.80%016%0.16CC..EExtended strand (participates in β ladder)trans-76.8152.5174.200000111.3I102 M193 V219 V221 N222 R223A97-I102 HydrophobicContact CB-CB 3.95Å; A97-I102 HydrophobicContact CB-CG2 3.58Å; A97-M193 WeakPolarHBondContact CA-O 3.27Å; A97-V219 HydrophobicContact CB-CG1 3.81Å; A97-V221 PolarHBondContact N-O 3.35Å; A97-N222 PolarHBondContact O-OD1 2.91Å; A97-R223 WeakPolarHBondContact O-CB 3.31Å; A97-R223 PolarHBondContact O-N 2.91Å
98I98.4Very high97.6Very high0 Ų023.2 Ų23.20%014%0.139CC..  trans-118.1-0.6175.765.5176.2000112.7M184 W187 Q188 V192 M193 Y195 R223 T224I98-M184 HydrophobicContact CB-CE 4.3Å; I98-M184 HydrophobicContact CG2-CE 4.19Å; I98-W187 HydrophobicContact CD1-CB 4.16Å; I98-Q188 HydrophobicContact CB-CG 4.01Å; I98-Q188 HydrophobicContact CD1-CG 4.02Å; I98-Q188 HydrophobicContact CG1-CG 4.04Å; I98-Q188 WeakPolarHBondContact O-CG 3.47Å; I98-Q188 PolarHBondContact O-NE2 3.26Å; I98-V192 HydrophobicContact CD1-CB 4.17Å; I98-V192 HydrophobicContact CD1-CG1 4.11Å; I98-V192 VanDerWaalsContact CG1-O 3.29Å; I98-V192 WeakPolarHBondContact CG1-O 3.39Å; I98-M193 PolarHBondContact N-O 2.93Å; I98-Y195 HydrophobicContact CD1-CE2 4.35Å; I98-Y195 HydrophobicContact CG2-CD2 3.75Å; I98-Y195 HydrophobicContact CG2-CE2 4.01Å; I98-R223 HydrophobicContact CG2-CB 4.35Å; I98-R223 HydrophobicContact CG2-CG 4.34Å; I98-T224 WeakPolarHBondContact O-CG2 3.47Å
99Q98.5Very high97.6Very high21 Ų2123 Ų2310%0.09814%0.138CC..SBendtrans-99.6134.5178.1-67.6-64.9-21.900111.4H101 I102 Q188 V192 N222Q99-H101 VanDerWaalsContact CB-CE1 3.49Å; Q99-H101 WeakPolarHBondContact CB-CE1 3.45Å; Q99-H101 PolarHBondContact O-N 3.09Å; Q99-H101 VanDerWaalsContact O-N 3.16Å; Q99-I102 HydrophobicContact CB-CB 4.47Å; Q99-I102 HydrophobicContact CB-CD1 3.81Å; Q99-I102 HydrophobicContact CB-CG1 3.9Å; Q99-I102 HydrophobicContact CG-CD1 4.19Å; Q99-I102 PolarHBondContact O-N 3.25Å; Q99-Q188 PolarHBondContact NE2-O 3.32Å; Q99-V192 WeakPolarHBondContact CG-O 3.41Å; Q99-V192 PolarHBondContact NE2-O 3.03Å; Q99-N222 PolarHBondContact O-ND2 2.99Å
100P97.4Very high97.6Very high81 Ų8123 Ų2353%0.52614%0.138SC..THydrogen-bonded Turntrans-60.9-27.4-178.1-24.633.3000115T224P100-T224 WeakPolarHBondContact CA-OG1 3.45Å; P100-T224 HydrophobicContact CG-CG2 4.13Å
101H98Very high97.6Very high114 Ų11425.5 Ų25.553%0.52815%0.153SC..THydrogen-bonded Turntrans-85.7-7-176.463.7-91.6000114.1Q99Q99-H101 VanDerWaalsContact CB-CE1 3.49Å; Q99-H101 WeakPolarHBondContact CB-CE1 3.45Å; Q99-H101 PolarHBondContact O-N 3.09Å; Q99-H101 VanDerWaalsContact O-N 3.16Å
102I98.1Very high97.6Very high0 Ų026.2 Ų26.20%016%0.161CC..PPolyproline II helixtrans-94.3123.1178.8-62.3-178.8000108.6A97 Q99 D106 L108 H152 M193 V219 N222A97-I102 HydrophobicContact CB-CB 3.95Å; A97-I102 HydrophobicContact CB-CG2 3.58Å; Q99-I102 HydrophobicContact CB-CB 4.47Å; Q99-I102 HydrophobicContact CB-CD1 3.81Å; Q99-I102 HydrophobicContact CB-CG1 3.9Å; Q99-I102 HydrophobicContact CG-CD1 4.19Å; Q99-I102 PolarHBondContact O-N 3.25Å; I102-D106 HydrophobicContact CG2-CB 4.36Å; I102-L108 HydrophobicContact CD1-CD2 4Å; I102-L108 HydrophobicContact CG2-CD2 3.88Å; I102-H152 HydrophobicContact CD1-CB 4.47Å; I102-M193 HydrophobicContact CD1-CB 3.75Å; I102-M193 HydrophobicContact CD1-CG 4.03Å; I102-V219 HydrophobicContact CG2-CG1 4.3Å; I102-V219 HydrophobicContact CG2-CG2 3.75Å; I102-N222 PolarHBondContact O-ND2 2.9Å
103N95.7Very high97.7Very high79 Ų7926.7 Ų26.742%0.42217%0.165SC..PPolyproline II helixtrans-100.7157.2-174.7-60.2-62.6000112.3G105 D106 V219N103-G105 PolarHBondContact O-N 2.94Å; N103-D106 PolarHBondContact N-OD2 3.33Å; N103-D106 VanDerWaalsContact O-CB 3.24Å; N103-D106 WeakPolarHBondContact O-CB 3.46Å; N103-D106 PolarHBondContact O-N 3.26Å; N103-D106 VanDerWaalsContact O-N 3.08Å; N103-V219 WeakPolarHBondContact O-CB 3.37Å; N103-V219 WeakPolarHBondContact O-CG1 3.37Å
104V95.3Very high97.7Very high57 Ų5727.4 Ų27.435%0.34517%0.166SC..THydrogen-bonded Turntrans-61.2133167.7179.50000108.8V219 T233V104-V219 WeakPolarHBondContact CA-O 3.34Å; V104-V219 WeakPolarHBondContact CG1-O 3.49Å; V104-T233 HydrophobicContact CG1-CG2 3.54Å
105G95Very high97.8Very high19 Ų1926.3 Ų26.320%0.19616%0.156CC..THydrogen-bonded Turntrans97-17.9-171.700000114.3N103 V219 T237N103-G105 PolarHBondContact O-N 2.94Å; G105-V219 PolarHBondContact N-O 3.09Å; G105-T237 WeakPolarHBondContact CA-OG1 3.43Å
106D97.6Very high97.9Very high13 Ų1327.5 Ų27.57%0.0716%0.162CC..  trans-68.8162.1174.1-66.5-8.1000111.2I102 N103 T150 H152 V219I102-D106 HydrophobicContact CG2-CB 4.36Å; N103-D106 PolarHBondContact N-OD2 3.33Å; N103-D106 VanDerWaalsContact O-CB 3.24Å; N103-D106 WeakPolarHBondContact O-CB 3.46Å; N103-D106 PolarHBondContact O-N 3.26Å; N103-D106 VanDerWaalsContact O-N 3.08Å; D106-T150 WeakPolarHBondContact OD1-CB 3.48Å; D106-T150 WeakPolarHBondContact OD1-CG2 3.34Å; D106-H152 IonicContact OD2-CD2 2.98Å; D106-H152 IonicContact OD2-CE1 3.4Å; D106-H152 IonicContact OD2-NE2 2.89Å; D106-H152 PolarHBondContact OD2-NE2 3.05Å; D106-V219 HydrophobicContact CB-CG2 4.28Å; D106-V219 WeakPolarHBondContact O-CG2 3.46Å; D106-V219 PolarHBondContact O-N 2.77Å
107V98.4Very high98.1Very high1 Ų127.5 Ų27.51%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-113.3135.5178176.20000109.5A149 T150 T151 H152 V216 A217 I244V107-A149 HydrophobicContact CB-CB 4.46Å; V107-A149 HydrophobicContact CG2-CB 3.93Å; V107-T150 PolarHBondContact N-O 2.74Å; V107-T151 HydrophobicContact CG1-CG2 4.43Å; V107-T151 CarbonylContact O-C 3.55Å; V107-T151 VanDerWaalsContact O-CA 3.29Å; V107-T151 WeakPolarHBondContact O-CA 3.43Å; V107-H152 PolarHBondContact O-N 3.29Å; V107-V216 HydrophobicContact CG1-CG2 3.41Å; V107-V216 VanDerWaalsContact CG1-CG2 3.41Å; V107-A217 WeakPolarHBondContact CA-O 3.4Å; V107-I244 HydrophobicContact CB-CD1 4.21Å; V107-I244 HydrophobicContact CG1-CD1 3.79Å; V107-I244 HydrophobicContact CG2-CD1 3.58Å
108L98.8Very high98.1Very high0 Ų028.8 Ų28.80%017%0.172CC..EExtended strand (participates in β ladder)trans-110.4131175-50.4-172.3000109.8T95 I102 H152 M193 N194 V216 A217 V219T95-L108 HydrophobicContact CG2-CD1 3.74Å; T95-L108 HydrophobicContact CG2-CG 4.4Å; I102-L108 HydrophobicContact CD1-CD2 4Å; I102-L108 HydrophobicContact CG2-CD2 3.88Å; L108-H152 CarbonylContact C-O 3.58Å; L108-H152 WeakPolarHBondContact CA-O 3.38Å; L108-H152 HydrophobicContact CD2-CB 3.74Å; L108-M193 HydrophobicContact CB-CE 4.08Å; L108-M193 HydrophobicContact CD1-CB 4.15Å; L108-M193 HydrophobicContact CD2-SD 4.29Å; L108-N194 HydrophobicContact CD1-CB 3.63Å; L108-N194 VanDerWaalsContact CD1-CG 3.49Å; L108-N194 WeakPolarHBondContact CD1-OD1 3.37Å; L108-V216 CarbonylContact O-C 3.59Å; L108-V216 VanDerWaalsContact O-CA 3.32Å; L108-V216 WeakPolarHBondContact O-CA 3.24Å; L108-A217 PolarHBondContact N-O 3.41Å; L108-A217 PolarHBondContact O-N 2.88Å; L108-V219 HydrophobicContact CD1-CG2 3.88Å; L108-V219 HydrophobicContact CD2-CG2 3.86Å; L108-V219 HydrophobicContact CG-CG2 3.62Å
109V98.9Very high98.1Very high0 Ų029.5 Ų29.50%018%0.178CC..EExtended strand (participates in β ladder)trans-111.9123167.5-177.70000108.4T137 L140 V141 T151 H152 V153 G154 M215 V216V109-T137 HydrophobicContact CG1-CG2 3.96Å; V109-L140 HydrophobicContact CG1-CB 4.03Å; V109-L140 HydrophobicContact CG1-CD1 4.32Å; V109-L140 HydrophobicContact CG2-CB 4.12Å; V109-V141 HydrophobicContact CB-CG2 4.23Å; V109-V141 HydrophobicContact CG1-CG2 4.12Å; V109-V141 HydrophobicContact CG2-CG2 4.2Å; V109-T151 HydrophobicContact CG2-CG2 3.95Å; V109-H152 PolarHBondContact N-O 3.28Å; V109-V153 HydrophobicContact CB-CG2 4.27Å; V109-V153 WeakPolarHBondContact O-CA 3.35Å; V109-G154 PolarHBondContact O-N 2.75Å; V109-G154 VanDerWaalsContact O-N 3.13Å; V109-M215 WeakPolarHBondContact CA-O 3.35Å; V109-V216 HydrophobicContact CG2-CG2 4.47Å
110T99Very high98.1Very high0 Ų028.5 Ų28.50%017%0.173CC..EExtended strand (participates in β ladder)trans-86.6124.2-175.5-60.90000111.1A112 A132 G154 T156 L203 M215T110-A112 VanDerWaalsContact CG2-O 3.27Å; T110-A112 WeakPolarHBondContact CG2-O 3.35Å; T110-A132 WeakPolarHBondContact O-CB 3.16Å; T110-G154 WeakPolarHBondContact CA-O 3.37Å; T110-T156 WeakPolarHBondContact CG2-OG1 3.46Å; T110-T156 PolarHBondContact OG1-OG1 2.98Å; T110-L203 HydrophobicContact CG2-CD1 4.19Å; T110-M215 HydrophobicContact CG2-CE 3.97Å; T110-M215 PolarHBondContact N-O 3.36Å; T110-M215 VanDerWaalsContact N-O 3.12Å; T110-M215 WeakPolarHBondContact OG1-CE 3.37Å
111T98.9Very high98.2Very high51 Ų5128.9 Ų28.931%0.31317%0.17SC..EExtended strand (participates in β ladder)trans-83.5-41.7172.956.60000111.7A132 V153 G154T111-A132 WeakPolarHBondContact O-CB 3.38Å; T111-A132 PolarHBondContact O-N 3.12Å; T111-V153 HydrophobicContact CG2-CG1 3.52Å; T111-G154 PolarHBondContact N-O 3.26Å; T111-G154 PolarHBondContact OG1-O 3.39Å
112A98.9Very high98.2Very high25 Ų2531 Ų3121%0.20718%0.18CC..EExtended strand (participates in β ladder)trans-157165.2176.800000110.8T110 A130 V131 V155 T156T110-A112 VanDerWaalsContact CG2-O 3.27Å; T110-A112 WeakPolarHBondContact CG2-O 3.35Å; A112-A130 CarbonylContact C-O 3.6Å; A112-A130 WeakPolarHBondContact CA-O 3.24Å; A112-A130 WeakPolarHBondContact CB-O 3.13Å; A112-V131 HydrophobicContact CB-CB 4.38Å; A112-V131 HydrophobicContact CB-CG2 4.43Å; A112-V155 WeakPolarHBondContact O-CA 3.42Å; A112-T156 PolarHBondContact O-N 2.88Å; A112-T156 VanDerWaalsContact O-N 3.12Å
113S98.9Very high98.3Very high12 Ų1234.3 Ų34.38%0.08419%0.194CC..EExtended strand (participates in β ladder)trans-115.9138.9-179-51.50000113R115 A130 T156 S199S113-R115 PolarHBondContact O-N 2.83Å; S113-A130 PolarHBondContact N-O 2.98Å; S113-T156 CarbonylContact C-O 3.53Å; S113-T156 WeakPolarHBondContact CA-O 3.31Å; S113-S199 WeakPolarHBondContact CB-OG 3.43Å; S113-S199 WeakPolarHBondContact OG-CB 3.48Å; S113-S199 PolarHBondContact OG-OG 2.97Å
114V98.9Very high98.4Very high31 Ų3130.9 Ų30.919%0.18818%0.177CC..EExtended strand (participates in β ladder)trans-68.9124.7157.6-175.60000107.3L116 V155 T156 A157 S158 W187 V192V114-L116 HydrophobicContact CG1-CD2 3.88Å; V114-L116 HydrophobicContact CG1-CG 4.01Å; V114-L116 PolarHBondContact O-N 2.72Å; V114-V155 HydrophobicContact CG2-CG1 3.82Å; V114-T156 PolarHBondContact N-O 3.32Å; V114-A157 HydrophobicContact CB-CB 4.21Å; V114-S158 PolarHBondContact O-N 3.15Å; V114-W187 HydrophobicContact CG1-CE3 4.42Å; V114-W187 HydrophobicContact CG1-CH2 3.68Å; V114-W187 HydrophobicContact CG1-CZ2 3.89Å; V114-W187 HydrophobicContact CG1-CZ3 3.95Å; V114-W187 HydrophobicContact CG2-CE3 4.31Å; V114-W187 HydrophobicContact CG2-CZ3 4.34Å; V114-V192 HydrophobicContact CG2-CG2 4.04Å
115R98.9Very high98.6Very high28 Ų2832.2 Ų32.211%0.10619%0.187CC..EExtended strand (participates in β ladder)trans-86.887.9-174.1-62.8172.164.1-177.2-2.4110.5S113 D117 S120 A124 P125 L126 F128 A130 A200S113-R115 PolarHBondContact O-N 2.83Å; R115-D117 VanDerWaalsContact C-N 3.34Å; R115-S120 PolarHBondContact NE-OG 2.96Å; R115-S120 VanDerWaalsContact NH2-C 3.27Å; R115-S120 PolarHBondContact NH2-O 3.22Å; R115-S120 PolarHBondContact NH2-OG 2.89Å; R115-A124 PolarHBondContact NH2-O 3.08Å; R115-P125 PolarHBondContact NH1-O 3.45Å; R115-L126 HydrophobicContact CB-CD1 4.42Å; R115-L126 PolarHBondContact NH1-O 2.79Å; R115-F128 PolarHBondContact NH1-O 3.24Å; R115-A130 HydrophobicContact CG-CB 3.66Å; R115-A200 HydrophobicContact CB-CB 4.26Å; R115-A200 HydrophobicContact CG-CB 4Å
116L98.8Very high98.8Very high31 Ų3136.6 Ų36.616%0.16221%0.205CC..EExtended strand (participates in β ladder)trans-104.332.4172.1-45.6173.3000110.4V114 A157 S158 D160 F180 W187 Y195V114-L116 HydrophobicContact CG1-CD2 3.88Å; V114-L116 HydrophobicContact CG1-CG 4.01Å; V114-L116 PolarHBondContact O-N 2.72Å; L116-A157 HydrophobicContact CD1-CB 4.18Å; L116-S158 CarbonylContact C-O 3.57Å; L116-S158 WeakPolarHBondContact CA-O 3.35Å; L116-S158 WeakPolarHBondContact CB-O 3.37Å; L116-S158 PolarHBondContact N-O 3.39Å; L116-D160 PolarHBondContact O-N 3.27Å; L116-F180 HydrophobicContact CD1-CE1 4.31Å; L116-F180 HydrophobicContact CD2-CE1 4.36Å; L116-W187 HydrophobicContact CD1-CZ2 4.49Å; L116-W187 HydrophobicContact CD2-CZ2 3.95Å; L116-Y195 HydrophobicContact CD1-CE1 4.19Å
117D98.8Very high98.8Very high14 Ų1443.6 Ų43.68%0.07524%0.238CC..  trans-118.6160.8-179.882.2-49.5000111.9R115 A119 S120 D160 A200 T201R115-D117 VanDerWaalsContact C-N 3.34Å; D117-A119 PolarHBondContact OD2-N 3.17Å; D117-S120 VanDerWaalsContact CG-OG 3.31Å; D117-S120 VanDerWaalsContact OD1-CB 3.24Å; D117-S120 WeakPolarHBondContact OD1-CB 3.45Å; D117-S120 PolarHBondContact OD1-OG 2.88Å; D117-S120 WeakPolarHBondContact OD2-CB 3.21Å; D117-S120 PolarHBondContact OD2-N 3.36Å; D117-S120 PolarHBondContact OD2-OG 3.02Å; D117-D160 WeakPolarHBondContact CA-OD1 3.47Å; D117-D160 WeakPolarHBondContact CB-OD1 3.36Å; D117-A200 HydrophobicContact CB-CB 4.25Å; D117-A200 VanDerWaalsContact OD1-CB 3.24Å; D117-A200 WeakPolarHBondContact OD1-CB 3.26Å; D117-T201 PolarHBondContact OD2-N 2.62Å; D117-T201 PolarHBondContact OD2-OG1 3.47Å
118G98.8Very high98.8Very high27 Ų2746.8 Ų46.828%0.27825%0.251SS..SBendtrans-94.8-30.5173.800000114.5L121 H122 D160G118-L121 PolarHBondContact O-N 3.29Å; G118-H122 PolarHBondContact O-ND1 3.47Å; G118-H122 VanDerWaalsContact O-ND1 3.1Å; G118-D160 PolarHBondContact N-OD2 2.84Å
119A98.8Very high98.8Very high15 Ų1550.3 Ų50.312%0.12428%0.275CS..G310 helixtrans-71.7-34.7-170.800000112.7D117 L121 H122 F123 T201D117-A119 PolarHBondContact OD2-N 3.17Å; A119-L121 PolarHBondContact O-N 3.47Å; A119-L121 VanDerWaalsContact O-N 3.17Å; A119-H122 WeakPolarHBondContact O-CB 3.38Å; A119-H122 PolarHBondContact O-N 3.47Å; A119-F123 WeakPolarHBondContact O-CD2 3.27Å; A119-T201 HydrophobicContact CB-CG2 3.7Å
120S98.9Very high98.8Very high0 Ų050.4 Ų50.40%028%0.275CS..G310 helixtrans-56.3-33.2176.369.50000112.9R115 D117 H122 F123 A124R115-S120 PolarHBondContact NE-OG 2.96Å; R115-S120 VanDerWaalsContact NH2-C 3.27Å; R115-S120 PolarHBondContact NH2-O 3.22Å; R115-S120 PolarHBondContact NH2-OG 2.89Å; D117-S120 VanDerWaalsContact CG-OG 3.31Å; D117-S120 VanDerWaalsContact OD1-CB 3.24Å; D117-S120 WeakPolarHBondContact OD1-CB 3.45Å; D117-S120 PolarHBondContact OD1-OG 2.88Å; D117-S120 WeakPolarHBondContact OD2-CB 3.21Å; D117-S120 PolarHBondContact OD2-N 3.36Å; D117-S120 PolarHBondContact OD2-OG 3.02Å; S120-H122 PolarHBondContact O-N 3.33Å; S120-F123 PolarHBondContact O-N 2.86Å; S120-F123 VanDerWaalsContact O-N 3.1Å; S120-A124 PolarHBondContact O-N 3.43Å; S120-A124 VanDerWaalsContact O-N 3.14Å
121L98.8Very high98.8Very high89 Ų8953.5 Ų53.547%0.46629%0.294SS..G310 helixtrans-67.1-16.2179.3-65.8170.7000113.5G118 A119 F123 A124 L126G118-L121 PolarHBondContact O-N 3.29Å; A119-L121 PolarHBondContact O-N 3.47Å; A119-L121 VanDerWaalsContact O-N 3.17Å; L121-F123 VanDerWaalsContact C-N 3.29Å; L121-A124 WeakPolarHBondContact CA-O 3.46Å; L121-L126 HydrophobicContact CD2-CB 3.9Å; L121-L126 HydrophobicContact CD2-CD1 4.25Å
122H98.8Very high98.8Very high159 Ų15951.6 Ų51.674%0.73628%0.284SS*.G310 helixtrans-80.3-13.9175.7-64.560000112.3G118 A119 S120G118-H122 PolarHBondContact O-ND1 3.47Å; G118-H122 VanDerWaalsContact O-ND1 3.1Å; A119-H122 WeakPolarHBondContact O-CB 3.38Å; A119-H122 PolarHBondContact O-N 3.47Å; S120-H122 PolarHBondContact O-N 3.33Å
123F98.8Very high98.8Very high69 Ų6952.6 Ų52.630%0.30329%0.286SS..THydrogen-bonded Turntrans-107-38.9179.3-60.8-75.9000112.5A119 S120 L121 T204 M205A119-F123 WeakPolarHBondContact O-CD2 3.27Å; S120-F123 PolarHBondContact O-N 2.86Å; S120-F123 VanDerWaalsContact O-N 3.1Å; L121-F123 VanDerWaalsContact C-N 3.29Å; F123-T204 HydrophobicContact CB-CG2 4.48Å; F123-M205 HydrophobicContact CD1-CB 4.35Å; F123-M205 HydrophobicContact CD1-CE 4.48Å; F123-M205 HydrophobicContact CD1-CG 3.86Å; F123-M205 HydrophobicContact CD2-CB 3.87Å; F123-M205 HydrophobicContact CD2-CG 4.08Å; F123-M205 HydrophobicContact CE1-CE 3.5Å; F123-M205 VanDerWaalsContact CE1-CE 3.5Å; F123-M205 HydrophobicContact CE1-CG 3.72Å; F123-M205 HydrophobicContact CE1-SD 3.92Å; F123-M205 HydrophobicContact CE2-CB 4.04Å; F123-M205 HydrophobicContact CE2-CE 4.38Å; F123-M205 HydrophobicContact CE2-CG 3.94Å; F123-M205 HydrophobicContact CE2-SD 3.84Å; F123-M205 HydrophobicContact CG-CB 4.03Å; F123-M205 HydrophobicContact CG-CG 4.05Å; F123-M205 HydrophobicContact CZ-CB 4.38Å; F123-M205 HydrophobicContact CZ-CE 3.43Å; F123-M205 VanDerWaalsContact CZ-CE 3.43Å; F123-M205 HydrophobicContact CZ-CG 3.76Å; F123-M205 HydrophobicContact CZ-SD 3.48Å; F123-M205 WeakPolarHBondContact CZ-SD 3.18Å
124A98.8Very high98.8Very high8 Ų859.7 Ų59.77%0.06632%0.315CS..SBendtrans-149.6147.7-179.700000111.7R115 S120 L121 F128 T204R115-A124 PolarHBondContact NH2-O 3.08Å; S120-A124 PolarHBondContact O-N 3.43Å; S120-A124 VanDerWaalsContact O-N 3.14Å; L121-A124 WeakPolarHBondContact CA-O 3.46Å; A124-F128 HydrophobicContact CB-CB 3.49Å; A124-F128 VanDerWaalsContact CB-CB 3.49Å; A124-F128 HydrophobicContact CB-CD1 3.79Å; A124-F128 HydrophobicContact CB-CD2 4.1Å; A124-F128 HydrophobicContact CB-CG 3.52Å; A124-T204 HydrophobicContact CB-CG2 3.73Å
125P98.7Very high98.8Very high85 Ų8563.2 Ų63.255%0.55233%0.329SS*.  trans-63.4162.6179.534.2-40.1000110.6R115 E127 F128R115-P125 PolarHBondContact NH1-O 3.45Å; P125-E127 WeakPolarHBondContact CB-OE2 3.02Å; P125-E127 PolarHBondContact O-N 2.74Å; P125-E127 VanDerWaalsContact O-N 3.09Å; P125-F128 VanDerWaalsContact O-CB 3.31Å; P125-F128 WeakPolarHBondContact O-CB 3.4Å; P125-F128 PolarHBondContact O-N 2.67Å
126L98.6Very high98.8Very high110 Ų11061.9 Ų61.958%0.57632%0.324SS*.THydrogen-bonded Turntrans-57.3-30.7-170.1-176.861.3000113.2R115 L121 F128R115-L126 HydrophobicContact CB-CD1 4.42Å; R115-L126 PolarHBondContact NH1-O 2.79Å; L121-L126 HydrophobicContact CD2-CB 3.9Å; L121-L126 HydrophobicContact CD2-CD1 4.25Å; L126-F128 PolarHBondContact O-N 2.72Å
127E98.7Very high98.8Very high161 Ų16161.3 Ų61.375%0.75232%0.322SS*.THydrogen-bonded Turntrans-69.5-18.1179.6-54.677.4-170.600112.9P125P125-E127 WeakPolarHBondContact CB-OE2 3.02Å; P125-E127 PolarHBondContact O-N 2.74Å; P125-E127 VanDerWaalsContact O-N 3.09Å
128F98.8Very high98.8Very high67 Ų6762.8 Ų62.829%0.29433%0.332SS..SBendtrans-72.7130.3175.3-169.7-82.1000110.5R115 A124 P125 L126 T204 A207R115-F128 PolarHBondContact NH1-O 3.24Å; A124-F128 HydrophobicContact CB-CB 3.49Å; A124-F128 VanDerWaalsContact CB-CB 3.49Å; A124-F128 HydrophobicContact CB-CD1 3.79Å; A124-F128 HydrophobicContact CB-CD2 4.1Å; A124-F128 HydrophobicContact CB-CG 3.52Å; P125-F128 VanDerWaalsContact O-CB 3.31Å; P125-F128 WeakPolarHBondContact O-CB 3.4Å; P125-F128 PolarHBondContact O-N 2.67Å; L126-F128 PolarHBondContact O-N 2.72Å; F128-T204 HydrophobicContact CD1-CG2 4.2Å; F128-A207 HydrophobicContact CE1-CB 3.94Å; F128-A207 HydrophobicContact CZ-CB 4.23Å
129P98.8Very high98.8Very high75 Ų7561.8 Ų61.849%0.48732%0.321SS..  trans-75.2134.2-175.730.3-35.1000112.2V131P129-V131 HydrophobicContact CB-CB 4.37Å; P129-V131 HydrophobicContact CB-CG1 4.48Å; P129-V131 HydrophobicContact CG-CG1 4.27Å; P129-V131 PolarHBondContact O-N 2.86Å
130A98.9Very high98.8Very high2 Ų261.1 Ų61.12%0.01732%0.315CS..EExtended strand (participates in β ladder)trans-79.268.8169.300000110.7A112 S113 R115 L203 T204A112-A130 CarbonylContact C-O 3.6Å; A112-A130 WeakPolarHBondContact CA-O 3.24Å; A112-A130 WeakPolarHBondContact CB-O 3.13Å; S113-A130 PolarHBondContact N-O 2.98Å; R115-A130 HydrophobicContact CG-CB 3.66Å; A130-L203 HydrophobicContact CB-CB 4.38Å; A130-T204 WeakPolarHBondContact CA-OG1 3.48Å; A130-T204 VanDerWaalsContact CB-OG1 3.24Å; A130-T204 WeakPolarHBondContact CB-OG1 3.41Å
131V98.9Very high98.8Very high64 Ų6462.3 Ų62.339%0.38832%0.323SS..EExtended strand (participates in β ladder)trans-100.8142.7-17166.60000112.2A112 P129 A207A112-V131 HydrophobicContact CB-CB 4.38Å; A112-V131 HydrophobicContact CB-CG2 4.43Å; P129-V131 HydrophobicContact CB-CB 4.37Å; P129-V131 HydrophobicContact CB-CG1 4.48Å; P129-V131 HydrophobicContact CG-CG1 4.27Å; P129-V131 PolarHBondContact O-N 2.86Å; V131-A207 HydrophobicContact CG1-CB 4.39Å
132A98.9Very high98.8Very high12 Ų1262.3 Ų62.310%0.09932%0.32CS..PPolyproline II helixtrans-77152.9174.500000112T110 T111 T137 L203T110-A132 WeakPolarHBondContact O-CB 3.16Å; T111-A132 WeakPolarHBondContact O-CB 3.38Å; T111-A132 PolarHBondContact O-N 3.12Å; A132-T137 WeakPolarHBondContact CB-OG1 3.4Å; A132-L203 HydrophobicContact CB-CD1 4.25Å; A132-L203 HydrophobicContact CB-CD2 4.12Å
133D98.9Very high98.8Very high46 Ų4654.8 Ų54.825%0.24629%0.285CS..PPolyproline II helixtrans-66139.9172.6171.9-101.5000110.8E135 C136 T137 R212 A213D133-E135 WeakPolarHBondContact OD1-CB 3.4Å; D133-E135 PolarHBondContact OD1-N 2.87Å; D133-E135 VanDerWaalsContact OD1-N 3.08Å; D133-C136 HydrophobicContact CB-CB 4.11Å; D133-C136 PolarHBondContact OD1-N 2.83Å; D133-C136 PolarHBondContact OD1-SG 3.19Å; D133-T137 WeakPolarHBondContact O-CB 3.23Å; D133-T137 PolarHBondContact O-N 3.27Å; D133-T137 PolarHBondContact O-OG1 3.5Å; D133-R212 HydrophobicContact CB-CB 4.02Å; D133-A213 WeakPolarHBondContact CB-O 3.44Å; D133-A213 PolarHBondContact N-O 3.03Å
134F98.8Very high98.8Very high160 Ų16051.5 Ų51.570%0.70227%0.271SS*.Hα-helixtrans-64.9-44.5-174.6175.7-97.8000112.4T137 T138F134-T137 PolarHBondContact O-N 3.4Å; F134-T138 WeakPolarHBondContact O-CB 3.45Å; F134-T138 PolarHBondContact O-N 2.98Å; F134-T138 PolarHBondContact O-OG1 3.31Å
135E98.8Very high98.8Very high105 Ų10558.1 Ų58.149%0.49130%0.298SS..Hα-helixtrans-67.9-43.1-178.3-60.6-174.8121.400110.3D133 T138 A139 R212 L252D133-E135 WeakPolarHBondContact OD1-CB 3.4Å; D133-E135 PolarHBondContact OD1-N 2.87Å; D133-E135 VanDerWaalsContact OD1-N 3.08Å; E135-T138 PolarHBondContact O-N 2.87Å; E135-A139 WeakPolarHBondContact O-CB 3.46Å; E135-A139 PolarHBondContact O-N 2.93Å; E135-R212 IonicContact OE2-CZ 3.82Å; E135-R212 IonicContact OE2-NH1 2.7Å; E135-R212 PolarHBondContact OE2-NH1 3.24Å; E135-L252 HydrophobicContact CB-CD2 4.13Å
136C98.9Very high98.7Very high0 Ų057.5 Ų57.50%030%0.296CS..Hα-helixtrans-61.2-46.6176.2-63.80000111.9L90 D133 T138 A139 L140 L252L90-C136 HydrophobicContact CD2-CB 4.15Å; D133-C136 HydrophobicContact CB-CB 4.11Å; D133-C136 PolarHBondContact OD1-N 2.83Å; D133-C136 PolarHBondContact OD1-SG 3.19Å; C136-T138 VanDerWaalsContact C-N 3.35Å; C136-T138 PolarHBondContact O-N 3.43Å; C136-A139 PolarHBondContact O-N 2.8Å; C136-L140 VanDerWaalsContact O-CG 3.28Å; C136-L140 WeakPolarHBondContact O-CG 3.31Å; C136-L140 PolarHBondContact O-N 3.11Å; C136-L140 VanDerWaalsContact O-N 3.09Å; C136-L252 HydrophobicContact CB-CD1 4.44Å
137T98.9Very high98.6Very high19 Ų1955.5 Ų55.512%0.11729%0.285CS..Hα-helixtrans-61.5-45.3178.5-57.40000110.8V109 A132 D133 F134 L140 V141V109-T137 HydrophobicContact CG1-CG2 3.96Å; A132-T137 WeakPolarHBondContact CB-OG1 3.4Å; D133-T137 WeakPolarHBondContact O-CB 3.23Å; D133-T137 PolarHBondContact O-N 3.27Å; D133-T137 PolarHBondContact O-OG1 3.5Å; F134-T137 PolarHBondContact O-N 3.4Å; T137-L140 PolarHBondContact O-N 2.96Å; T137-V141 WeakPolarHBondContact O-CG2 3.14Å; T137-V141 PolarHBondContact O-N 2.85Å
138T98.8Very high98.5Very high46 Ų4651 Ų5128%0.28228%0.282SS..Hα-helixtrans-61.1-47.9178.5-61.90000111.4F134 E135 C136 L140 V141 E142F134-T138 WeakPolarHBondContact O-CB 3.45Å; F134-T138 PolarHBondContact O-N 2.98Å; F134-T138 PolarHBondContact O-OG1 3.31Å; E135-T138 PolarHBondContact O-N 2.87Å; C136-T138 VanDerWaalsContact C-N 3.35Å; C136-T138 PolarHBondContact O-N 3.43Å; T138-L140 VanDerWaalsContact C-N 3.3Å; T138-L140 PolarHBondContact O-N 3.01Å; T138-V141 PolarHBondContact O-N 3.48Å; T138-E142 HydrophobicContact CG2-CG 4.36Å; T138-E142 WeakPolarHBondContact O-CG 3.45Å; T138-E142 PolarHBondContact O-N 3.41Å
139A98.8Very high98.4Very high6 Ų648.4 Ų48.45%0.0527%0.273CS..Hα-helixtrans-58.9-40.3178.600000112.3E135 C136 A143 A248 R251 L252E135-A139 WeakPolarHBondContact O-CB 3.46Å; E135-A139 PolarHBondContact O-N 2.93Å; C136-A139 PolarHBondContact O-N 2.8Å; A139-A143 WeakPolarHBondContact O-CB 3.48Å; A139-A143 PolarHBondContact O-N 3.32Å; A139-A248 HydrophobicContact CB-CB 4.21Å; A139-R251 HydrophobicContact CB-CB 4.09Å; A139-L252 HydrophobicContact CB-CD1 3.97Å; A139-L252 HydrophobicContact CB-CD2 4.04Å; A139-L252 HydrophobicContact CB-CG 3.78Å
140L98.9Very high98.4Very high0 Ų048.8 Ų48.80%027%0.274CS..Hα-helixtrans-66.4-43.6176.6-68.1166.1000112.1L90 V109 C136 T137 T138 A143 A144 V216 A248L90-L140 HydrophobicContact CD2-CD1 4.47Å; V109-L140 HydrophobicContact CG1-CB 4.03Å; V109-L140 HydrophobicContact CG1-CD1 4.32Å; V109-L140 HydrophobicContact CG2-CB 4.12Å; C136-L140 VanDerWaalsContact O-CG 3.28Å; C136-L140 WeakPolarHBondContact O-CG 3.31Å; C136-L140 PolarHBondContact O-N 3.11Å; C136-L140 VanDerWaalsContact O-N 3.09Å; T137-L140 PolarHBondContact O-N 2.96Å; T138-L140 VanDerWaalsContact C-N 3.3Å; T138-L140 PolarHBondContact O-N 3.01Å; L140-A143 PolarHBondContact O-N 3.3Å; L140-A144 WeakPolarHBondContact O-CB 3.33Å; L140-A144 PolarHBondContact O-N 3.17Å; L140-V216 HydrophobicContact CD1-CB 4.45Å; L140-V216 HydrophobicContact CD2-CB 3.94Å; L140-V216 HydrophobicContact CD2-CG1 3.75Å; L140-A248 HydrophobicContact CD2-CB 3.46Å; L140-A248 VanDerWaalsContact CD2-CB 3.46Å; L140-A248 HydrophobicContact CG-CB 4Å
141V98.8Very high98.4Very high25 Ų2550.5 Ų50.515%0.15228%0.284CS..Hα-helixtrans-63.5-44.4177.3171.40000111.1V109 T137 T138 A144 K145 V153V109-V141 HydrophobicContact CB-CG2 4.23Å; V109-V141 HydrophobicContact CG1-CG2 4.12Å; V109-V141 HydrophobicContact CG2-CG2 4.2Å; T137-V141 WeakPolarHBondContact O-CG2 3.14Å; T137-V141 PolarHBondContact O-N 2.85Å; T138-V141 PolarHBondContact O-N 3.48Å; V141-A144 PolarHBondContact O-N 3.47Å; V141-K145 HydrophobicContact CG1-CD 4.25Å; V141-K145 WeakPolarHBondContact O-CG 3.4Å; V141-K145 PolarHBondContact O-N 3.47Å; V141-V153 HydrophobicContact CG2-CG1 4.4Å; V141-V153 HydrophobicContact CG2-CG2 3.72Å
142E98.8Very high98.4Very high90 Ų9049.2 Ų49.242%0.42127%0.274SS..Hα-helixtrans-66-42.9177.6-71.2-175.7176.100112.4T138 A144 K145 S146 R251T138-E142 HydrophobicContact CG2-CG 4.36Å; T138-E142 WeakPolarHBondContact O-CG 3.45Å; T138-E142 PolarHBondContact O-N 3.41Å; E142-A144 VanDerWaalsContact C-N 3.33Å; E142-A144 PolarHBondContact O-N 2.82Å; E142-K145 PolarHBondContact O-N 2.95Å; E142-S146 PolarHBondContact O-N 3.49Å; E142-S146 PolarHBondContact O-OG 3.42Å; E142-R251 IonicContact OE2-NH1 3.41Å; E142-R251 PolarHBondContact OE2-NH1 3.08Å
143A98.7Very high98.4Very high0 Ų052 Ų520%029%0.29CS..Hα-helixtrans-61.5-40.817600000112A139 L140 S146 I147 I244 E247 A248A139-A143 WeakPolarHBondContact O-CB 3.48Å; A139-A143 PolarHBondContact O-N 3.32Å; L140-A143 PolarHBondContact O-N 3.3Å; A143-S146 PolarHBondContact O-N 3.09Å; A143-S146 PolarHBondContact O-OG 3.22Å; A143-I147 PolarHBondContact O-N 2.94Å; A143-I244 HydrophobicContact CB-CG2 3.96Å; A143-I244 WeakPolarHBondContact CB-O 3.36Å; A143-E247 HydrophobicContact CB-CB 3.88Å; A143-E247 HydrophobicContact CB-CG 3.62Å; A143-A248 HydrophobicContact CB-CB 4.07Å
144A98.5Very high98.3Very high0 Ų050.5 Ų50.50%029%0.285CS..Hα-helixtrans-64.8-43.9176.300000111.6L140 V141 E142 I147 G148 A149 T151 I244L140-A144 WeakPolarHBondContact O-CB 3.33Å; L140-A144 PolarHBondContact O-N 3.17Å; V141-A144 PolarHBondContact O-N 3.47Å; E142-A144 VanDerWaalsContact C-N 3.33Å; E142-A144 PolarHBondContact O-N 2.82Å; A144-I147 WeakPolarHBondContact O-CG1 3.32Å; A144-I147 PolarHBondContact O-N 3.36Å; A144-G148 PolarHBondContact O-N 2.87Å; A144-A149 HydrophobicContact CB-CB 4.33Å; A144-A149 WeakPolarHBondContact O-CB 3.5Å; A144-A149 PolarHBondContact O-N 2.74Å; A144-T151 HydrophobicContact CB-CG2 3.98Å; A144-T151 VanDerWaalsContact CB-OG1 3.24Å; A144-T151 WeakPolarHBondContact CB-OG1 3.28Å; A144-I244 HydrophobicContact CB-CD1 3.79Å; A144-I244 HydrophobicContact CB-CG1 4.34Å; A144-I244 HydrophobicContact CB-CG2 4.13Å
145K97.8Very high98.4Very high148 Ų14845.4 Ų45.464%0.64327%0.267SS*.Hα-helixtrans-61.7-42.6174.7-74.6175-179176.40112.3V141 E142 I147 G148V141-K145 HydrophobicContact CG1-CD 4.25Å; V141-K145 WeakPolarHBondContact O-CG 3.4Å; V141-K145 PolarHBondContact O-N 3.47Å; E142-K145 PolarHBondContact O-N 2.95Å; K145-I147 PolarHBondContact O-N 2.83Å; K145-G148 PolarHBondContact O-N 2.92Å
146S98Very high98.4Very high71 Ų7140.4 Ų40.450%0.49724%0.244SC..Hα-helixtrans-65.4-22.6-176.963.50000113.6E142 A143E142-S146 PolarHBondContact O-N 3.49Å; E142-S146 PolarHBondContact O-OG 3.42Å; A143-S146 PolarHBondContact O-N 3.09Å; A143-S146 PolarHBondContact O-OG 3.22Å
147I95.6Very high98.4Very high68 Ų6840.4 Ų40.435%0.34924%0.244SC..THydrogen-bonded Turntrans-99.77175.672.6159.4000113.7A143 A144 K145 A149 Q240 I244A143-I147 PolarHBondContact O-N 2.94Å; A144-I147 WeakPolarHBondContact O-CG1 3.32Å; A144-I147 PolarHBondContact O-N 3.36Å; K145-I147 PolarHBondContact O-N 2.83Å; I147-A149 HydrophobicContact CD1-CB 4.5Å; I147-A149 HydrophobicContact CG1-CB 4.18Å; I147-Q240 HydrophobicContact CD1-CG 3.7Å; I147-I244 HydrophobicContact CD1-CD1 3.77Å; I147-I244 HydrophobicContact CD1-CG1 3.3Å; I147-I244 HydrophobicContact CG1-CD1 4.32Å; I147-I244 HydrophobicContact CG1-CG1 3.92Å
148G96.6Very high98.4Very high67 Ų6739.5 Ų39.569%0.69124%0.238SC*.THydrogen-bonded Turntrans71.926.4178.400000114.7A144 K145A144-G148 PolarHBondContact O-N 2.87Å; K145-G148 PolarHBondContact O-N 2.92Å
149A97.4Very high98.4Very high12 Ų1237.4 Ų37.410%0.09923%0.225CC..  trans-77.2134.8178.400000112V107 A144 I147 T151 I244V107-A149 HydrophobicContact CB-CB 4.46Å; V107-A149 HydrophobicContact CG2-CB 3.93Å; A144-A149 HydrophobicContact CB-CB 4.33Å; A144-A149 WeakPolarHBondContact O-CB 3.5Å; A144-A149 PolarHBondContact O-N 2.74Å; I147-A149 HydrophobicContact CD1-CB 4.5Å; I147-A149 HydrophobicContact CG1-CB 4.18Å; A149-T151 PolarHBondContact O-N 3.13Å; A149-T151 PolarHBondContact O-OG1 2.9Å; A149-I244 HydrophobicContact CB-CD1 4.1Å
150T98.1Very high98.4Very high84 Ų8440.4 Ų40.452%0.51524%0.24SC..  trans-64115162.4-56.80000108.5D106 V107D106-T150 WeakPolarHBondContact OD1-CB 3.48Å; D106-T150 WeakPolarHBondContact OD1-CG2 3.34Å; V107-T150 PolarHBondContact N-O 2.74Å
151T98.6Very high98.3Very high38 Ų3843 Ų4323%0.23326%0.256CS..EExtended strand (participates in β ladder)trans-124.7125.8-169.2-51.40000110.9V107 V109 A144 A149 V153V107-T151 HydrophobicContact CG1-CG2 4.43Å; V107-T151 CarbonylContact O-C 3.55Å; V107-T151 VanDerWaalsContact O-CA 3.29Å; V107-T151 WeakPolarHBondContact O-CA 3.43Å; V109-T151 HydrophobicContact CG2-CG2 3.95Å; A144-T151 HydrophobicContact CB-CG2 3.98Å; A144-T151 VanDerWaalsContact CB-OG1 3.24Å; A144-T151 WeakPolarHBondContact CB-OG1 3.28Å; A149-T151 PolarHBondContact O-N 3.13Å; A149-T151 PolarHBondContact O-OG1 2.9Å; T151-V153 HydrophobicContact CG2-CG2 4.24Å
152H98.8Very high98.3Very high37 Ų3746.3 Ų46.317%0.17127%0.269CS..EExtended strand (participates in β ladder)trans-107.3138.9171.7-51.2-88.5000109.4I102 D106 V107 L108 V109 M193I102-H152 HydrophobicContact CD1-CB 4.47Å; D106-H152 IonicContact OD2-CD2 2.98Å; D106-H152 IonicContact OD2-CE1 3.4Å; D106-H152 IonicContact OD2-NE2 2.89Å; D106-H152 PolarHBondContact OD2-NE2 3.05Å; V107-H152 PolarHBondContact O-N 3.29Å; L108-H152 CarbonylContact C-O 3.58Å; L108-H152 WeakPolarHBondContact CA-O 3.38Å; L108-H152 HydrophobicContact CD2-CB 3.74Å; V109-H152 PolarHBondContact N-O 3.28Å; H152-M193 HydrophobicContact CB-SD 3.82Å
153V98.9Very high98.3Very high71 Ų7148 Ų4843%0.4327%0.272SS..EExtended strand (participates in β ladder)trans-126.5120.8-174.8-174.70000108.2V109 T111 V141 T151V109-V153 HydrophobicContact CB-CG2 4.27Å; V109-V153 WeakPolarHBondContact O-CA 3.35Å; T111-V153 HydrophobicContact CG2-CG1 3.52Å; V141-V153 HydrophobicContact CG2-CG1 4.4Å; V141-V153 HydrophobicContact CG2-CG2 3.72Å; T151-V153 HydrophobicContact CG2-CG2 4.24Å
154G98.8Very high98.3Very high14 Ų1450.3 Ų50.314%0.14429%0.287CS..EExtended strand (participates in β ladder)trans175.7-159.6-171.900000115.1V109 T110 T111 M193V109-G154 PolarHBondContact O-N 2.75Å; V109-G154 VanDerWaalsContact O-N 3.13Å; T110-G154 WeakPolarHBondContact CA-O 3.37Å; T111-G154 PolarHBondContact N-O 3.26Å; T111-G154 PolarHBondContact OG1-O 3.39Å; G154-M193 VanDerWaalsContact C-CE 3.47Å; G154-M193 WeakPolarHBondContact O-CE 3.3Å
155V98.9Very high98.2Very high53 Ų5350.3 Ų50.332%0.32129%0.287SS..EExtended strand (participates in β ladder)trans-87.9141.1-173.7179.80000111.3A112 V114 V192 M193A112-V155 WeakPolarHBondContact O-CA 3.42Å; V114-V155 HydrophobicContact CG2-CG1 3.82Å; V155-V192 HydrophobicContact CG1-CG2 4.09Å; V155-M193 PolarHBondContact O-N 3.05Å
156T99Very high98.3Very high0 Ų043.8 Ų43.80%026%0.259CS..EExtended strand (participates in β ladder)trans-117.9141.7176.8-65.10000110.3T110 A112 S113 V114 N194 E196 M215T110-T156 WeakPolarHBondContact CG2-OG1 3.46Å; T110-T156 PolarHBondContact OG1-OG1 2.98Å; A112-T156 PolarHBondContact O-N 2.88Å; A112-T156 VanDerWaalsContact O-N 3.12Å; S113-T156 CarbonylContact C-O 3.53Å; S113-T156 WeakPolarHBondContact CA-O 3.31Å; V114-T156 PolarHBondContact N-O 3.32Å; T156-N194 WeakPolarHBondContact CG2-ND2 3.23Å; T156-N194 PolarHBondContact OG1-OD1 3.05Å; T156-E196 HydrophobicContact CG2-CG 3.38Å; T156-M215 HydrophobicContact CG2-CE 4.05Å
157A98.9Very high98.3Very high0 Ų041.5 Ų41.50%024%0.24CC..EExtended strand (participates in β ladder)trans-93.6118.417100000111.1V114 L116 V192 N194 Y195 E196V114-A157 HydrophobicContact CB-CB 4.21Å; L116-A157 HydrophobicContact CD1-CB 4.18Å; A157-V192 HydrophobicContact CB-CG1 3.85Å; A157-N194 PolarHBondContact N-O 3.04Å; A157-Y195 HydrophobicContact CB-CD1 3.46Å; A157-Y195 VanDerWaalsContact CB-CD1 3.46Å; A157-Y195 HydrophobicContact CB-CE1 3.57Å; A157-Y195 HydrophobicContact CB-CG 4.37Å; A157-Y195 CarbonylContact O-C 3.55Å; A157-Y195 VanDerWaalsContact O-CA 3.24Å; A157-Y195 WeakPolarHBondContact O-CA 3.46Å; A157-E196 PolarHBondContact O-N 2.96Å
158S98.9Very high98.3Very high0 Ų038.9 Ų38.90%023%0.226CC..EExtended strand (participates in β ladder)trans-102.2106.1-175.8-1660000110.6V114 L116 E196 E198 S199 A200V114-S158 PolarHBondContact O-N 3.15Å; L116-S158 CarbonylContact C-O 3.57Å; L116-S158 WeakPolarHBondContact CA-O 3.35Å; L116-S158 WeakPolarHBondContact CB-O 3.37Å; L116-S158 PolarHBondContact N-O 3.39Å; S158-E196 CarbonylContact C-O 3.59Å; S158-E196 WeakPolarHBondContact CA-O 3.34Å; S158-E196 WeakPolarHBondContact CA-OE1 3.35Å; S158-E196 WeakPolarHBondContact CB-OE1 3.38Å; S158-E196 PolarHBondContact OG-OE1 3.05Å; S158-E198 PolarHBondContact OG-N 3.12Å; S158-S199 PolarHBondContact OG-N 2.73Å; S158-A200 VanDerWaalsContact CB-N 3.33Å; S158-A200 PolarHBondContact OG-N 2.89Å
159S98.9Very high98.4Very high1 Ų140.9 Ų40.91%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-106.2134.1-173.2-171.40000112.7T161 G165 E196 M197S159-T161 PolarHBondContact O-N 2.91Å; S159-T161 PolarHBondContact OG-N 3.29Å; S159-T161 PolarHBondContact OG-O 3.44Å; S159-G165 WeakPolarHBondContact OG-CA 3.3Å; S159-E196 PolarHBondContact N-O 3.1Å; S159-M197 WeakPolarHBondContact O-CA 3.36Å; S159-M197 WeakPolarHBondContact O-CB 3.38Å; S159-M197 VanDerWaalsContact O-CG 3.23Å; S159-M197 WeakPolarHBondContact O-CG 3.42Å
160D98.8Very high98.3Very high69 Ų6945.5 Ų45.537%0.36924%0.237SC..SBendtrans-62.9-9.9170.6-91.4-6.9000113.7L116 D117 G118L116-D160 PolarHBondContact O-N 3.27Å; D117-D160 WeakPolarHBondContact CA-OD1 3.47Å; D117-D160 WeakPolarHBondContact CB-OD1 3.36Å; G118-D160 PolarHBondContact N-OD2 2.84Å
161T98.6Very high98.2Very high54 Ų5443.2 Ų43.233%0.33122%0.223SC..  trans-134.4139.9-178.369.80000112.6S159 Y163 G165 Q166S159-T161 PolarHBondContact O-N 2.91Å; S159-T161 PolarHBondContact OG-N 3.29Å; S159-T161 PolarHBondContact OG-O 3.44Å; T161-Y163 VanDerWaalsContact C-N 3.34Å; T161-G165 VanDerWaalsContact OG1-CA 3.31Å; T161-G165 WeakPolarHBondContact OG1-CA 3.2Å; T161-G165 PolarHBondContact OG1-N 3.06Å; T161-Q166 WeakPolarHBondContact O-CG 3.19Å
162F98.2Very high98.2Very high96 Ų9653 Ų5342%0.42126%0.257SS..SBendtrans-71.4-29172.7-176.1-99.9000113.1R168 M197F162-R168 PolarHBondContact O-NH1 3.35Å; F162-M197 HydrophobicContact CB-SD 3.94Å; F162-M197 HydrophobicContact CD2-SD 4.46Å
163Y98.1Very high98.1Very high125 Ų12554.6 Ų54.649%0.4927%0.273SS..SBendtrans-98-89.7-171-61.6-75.7000112.8T161 G165 Q166 E167 R168 T171T161-Y163 VanDerWaalsContact C-N 3.34Å; Y163-G165 VanDerWaalsContact C-N 3.33Å; Y163-G165 PolarHBondContact O-N 3.38Å; Y163-Q166 CarbonylContact O-C 3.52Å; Y163-Q166 PolarHBondContact O-N 3.14Å; Y163-Q166 VanDerWaalsContact O-N 3.14Å; Y163-E167 PolarHBondContact O-N 3.41Å; Y163-R168 HydrophobicContact CD1-CB 4.49Å; Y163-R168 PolarHBondContact O-N 2.97Å; Y163-R168 VanDerWaalsContact O-N 3.13Å; Y163-T171 HydrophobicContact CD1-CG2 3.63Å; Y163-T171 HydrophobicContact CE1-CG2 4.47Å; Y163-T171 HydrophobicContact CG-CG2 4.06Å
164P98.2Very high98.1Very high48 Ų4853 Ų5331%0.31227%0.27SS..G310 helixtrans-66.4-30.5-169.228.6-37.1000113.8Q166 E167P164-Q166 VanDerWaalsContact C-N 3.31Å; P164-E167 PolarHBondContact O-N 3.24Å
165G98.2Very high98.1Very high1 Ų159.8 Ų59.81%0.0129%0.291CS..G310 helixtrans-77.2-12.3177.900000114.7S159 T161 Y163S159-G165 WeakPolarHBondContact OG-CA 3.3Å; T161-G165 VanDerWaalsContact OG1-CA 3.31Å; T161-G165 WeakPolarHBondContact OG1-CA 3.2Å; T161-G165 PolarHBondContact OG1-N 3.06Å; Y163-G165 VanDerWaalsContact C-N 3.33Å; Y163-G165 PolarHBondContact O-N 3.38Å
166Q98.4Very high98Very high10 Ų1057.4 Ų57.45%0.04728%0.277CS..G310 helixtrans-10918.1168.9-58.1-174.42300111.8T161 Y163 P164 R168 Y195 R223T161-Q166 WeakPolarHBondContact O-CG 3.19Å; Y163-Q166 CarbonylContact O-C 3.52Å; Y163-Q166 PolarHBondContact O-N 3.14Å; Y163-Q166 VanDerWaalsContact O-N 3.14Å; P164-Q166 VanDerWaalsContact C-N 3.31Å; Q166-R168 PolarHBondContact O-N 2.64Å; Q166-Y195 HydrophobicContact CB-CD1 4.47Å; Q166-Y195 HydrophobicContact CB-CD2 4.2Å; Q166-Y195 HydrophobicContact CB-CE2 4.39Å; Q166-Y195 HydrophobicContact CB-CG 4.22Å; Q166-Y195 HydrophobicContact CG-CD1 3.9Å; Q166-Y195 HydrophobicContact CG-CD2 4.29Å; Q166-Y195 HydrophobicContact CG-CE1 4.41Å; Q166-Y195 HydrophobicContact CG-CG 3.8Å; Q166-R223 PolarHBondContact O-NH1 2.54Å; Q166-R223 PolarHBondContact O-NH2 3Å
167E98.2Very high98Very high23 Ų2360.7 Ų60.711%0.10730%0.297CS..THydrogen-bonded Turntrans52.246.5176.9-151.4179.7176.300114.4Y163 P164 Y169 V176 G182 S183 M184Y163-E167 PolarHBondContact O-N 3.41Å; P164-E167 PolarHBondContact O-N 3.24Å; E167-Y169 HydrophobicContact CG-CE2 3.65Å; E167-Y169 PolarHBondContact OE1-OH 2.96Å; E167-V176 HydrophobicContact CG-CG1 4.43Å; E167-V176 HydrophobicContact CG-CG2 4.34Å; E167-G182 PolarHBondContact OE1-N 3.19Å; E167-G182 PolarHBondContact OE2-N 2.94Å; E167-S183 PolarHBondContact OE2-N 2.8Å; E167-S183 VanDerWaalsContact OE2-N 3.09Å; E167-M184 HydrophobicContact CB-CB 4.19Å; E167-M184 WeakPolarHBondContact OE2-CB 2.96Å; E167-M184 PolarHBondContact OE2-N 2.86Å
168R96.9Very high98Very high14 Ų1471.4 Ų71.45%0.05334%0.337CS..  trans-89.1133.7172.3-71.1-168.5170.481.22.2112.1F162 Y163 Q166 T171 E227F162-R168 PolarHBondContact O-NH1 3.35Å; Y163-R168 HydrophobicContact CD1-CB 4.49Å; Y163-R168 PolarHBondContact O-N 2.97Å; Y163-R168 VanDerWaalsContact O-N 3.13Å; Q166-R168 PolarHBondContact O-N 2.64Å; R168-T171 HydrophobicContact CB-CG2 4.37Å; R168-E227 IonicContact CZ-OE1 2.81Å; R168-E227 IonicContact NE-OE1 2.8Å; R168-E227 PolarHBondContact NE-OE1 2.76Å; R168-E227 IonicContact NH2-OE1 3.31Å
169Y96.9Very high98Very high109 Ų10978.8 Ų78.843%0.42737%0.372SS..  trans-110.5-12.7-178-67.3-86.2000113.6E167 T171 G174 V176E167-Y169 HydrophobicContact CG-CE2 3.65Å; E167-Y169 PolarHBondContact OE1-OH 2.96Å; Y169-T171 PolarHBondContact O-N 3.12Å; Y169-G174 WeakPolarHBondContact O-CA 3.48Å; Y169-V176 HydrophobicContact CD1-CG2 3.92Å; Y169-V176 HydrophobicContact CE1-CB 3.91Å; Y169-V176 HydrophobicContact CE1-CG2 3.46Å; Y169-V176 VanDerWaalsContact CE1-CG2 3.46Å; Y169-V176 HydrophobicContact CE2-CG2 4.26Å; Y169-V176 HydrophobicContact CG-CG2 4.47Å
170D95.2Very high98Very high109 Ų10980.9 Ų80.958%0.58338%0.38SS*.SBendtrans-75.950.8172.765.1-39.9000111.9
171T96.6Very high98Very high36 Ų3683.6 Ų83.622%0.22139%0.389CS..SBendtrans-121.8164.6-172.166.90000111.3Y163 R168 Y169 S173 G174Y163-T171 HydrophobicContact CD1-CG2 3.63Å; Y163-T171 HydrophobicContact CE1-CG2 4.47Å; Y163-T171 HydrophobicContact CG-CG2 4.06Å; R168-T171 HydrophobicContact CB-CG2 4.37Å; Y169-T171 PolarHBondContact O-N 3.12Å; T171-S173 PolarHBondContact O-N 2.85Å; T171-G174 PolarHBondContact O-N 2.81Å; T171-G174 VanDerWaalsContact O-N 3.09Å; T171-G174 PolarHBondContact OG1-N 2.8Å
172Y98.2Very high97.9Very high242 Ų24282.3 Ų82.395%0.94939%0.387SS*.THydrogen-bonded Turntrans-47-41.5178.8172.5-104.1000114
173S98Very high98Very high72 Ų7278.2 Ų78.250%0.50337%0.37SS..THydrogen-bonded Turntrans-99-13.9-178.171.70000114.5T171 R175T171-S173 PolarHBondContact O-N 2.85Å; S173-R175 PolarHBondContact O-N 3.3Å; S173-R175 WeakPolarHBondContact OG-CB 3.17Å; S173-R175 PolarHBondContact OG-N 3.03Å
174G97.8Very high98Very high36 Ų3673.4 Ų73.437%0.37135%0.352SS..  trans58.213.2-169.400000114.9Y169 T171Y169-G174 WeakPolarHBondContact O-CA 3.48Å; T171-G174 PolarHBondContact O-N 2.81Å; T171-G174 VanDerWaalsContact O-N 3.09Å; T171-G174 PolarHBondContact OG1-N 2.8Å
175R98.4Very high98Very high158 Ų15878 Ų7860%0.59637%0.37SS*.  trans-110.4124-169.8-172.6-173.860.969.8-0.4112.3S173S173-R175 PolarHBondContact O-N 3.3Å; S173-R175 WeakPolarHBondContact OG-CB 3.17Å; S173-R175 PolarHBondContact OG-N 3.03Å
176V98.6Very high98Very high3 Ų383.4 Ų83.42%0.01839%0.394CS..  trans-99.8136.9163.7178.70000109.6E167 Y169 F180 K181E167-V176 HydrophobicContact CG-CG1 4.43Å; E167-V176 HydrophobicContact CG-CG2 4.34Å; Y169-V176 HydrophobicContact CD1-CG2 3.92Å; Y169-V176 HydrophobicContact CE1-CB 3.91Å; Y169-V176 HydrophobicContact CE1-CG2 3.46Å; Y169-V176 VanDerWaalsContact CE1-CG2 3.46Å; Y169-V176 HydrophobicContact CE2-CG2 4.26Å; Y169-V176 HydrophobicContact CG-CG2 4.47Å; V176-F180 HydrophobicContact CG1-CB 3.64Å; V176-K181 HydrophobicContact CB-CG 4.09Å; V176-K181 HydrophobicContact CG1-CG 3.96Å; V176-K181 WeakPolarHBondContact O-CE 3.47Å
177V98.5Very high98Very high69 Ų6985.3 Ų85.342%0.41840%0.401SS..  trans-69.5147.9176.865.20000110.3H179 F180 K181V177-H179 PolarHBondContact O-N 3.12Å; V177-F180 HydrophobicContact CG1-CD2 3.72Å; V177-F180 PolarHBondContact O-N 2.87Å; V177-K181 PolarHBondContact O-N 3.16Å
178R98.5Very high98.1Very high224 Ų22486.7 Ų86.785%0.84541%0.408SS*.G310 helixtrans-45.7-42.4-171.7-178.1-176.6-71.6179.5-2.4114F180 K181R178-F180 VanDerWaalsContact C-N 3.27Å; R178-F180 PolarHBondContact O-N 3.03Å; R178-K181 PolarHBondContact O-N 3.33Å
179H98.4Very high98.2Very high156 Ų15690.3 Ų90.372%0.72244%0.441SS*.G310 helixtrans-62.7-28-176.8-174.567.3000114.3V177V177-H179 PolarHBondContact O-N 3.12Å
180F98.7Very high98.2Very high44 Ų4490.6 Ų90.619%0.19345%0.447CS..G310 helixtrans-102-2.8-178.8-74.4-72.8000113.9L116 V176 V177 R178 G182 S183L116-F180 HydrophobicContact CD1-CE1 4.31Å; L116-F180 HydrophobicContact CD2-CE1 4.36Å; V176-F180 HydrophobicContact CG1-CB 3.64Å; V177-F180 HydrophobicContact CG1-CD2 3.72Å; V177-F180 PolarHBondContact O-N 2.87Å; R178-F180 VanDerWaalsContact C-N 3.27Å; R178-F180 PolarHBondContact O-N 3.03Å; F180-G182 PolarHBondContact O-N 3.46Å; F180-S183 VanDerWaalsContact O-CB 3.3Å; F180-S183 WeakPolarHBondContact O-CB 3.37Å; F180-S183 PolarHBondContact O-N 2.98Å; F180-S183 PolarHBondContact O-OG 2.9Å
181K98.4Very high98.4Very high127 Ų12787.4 Ų87.455%0.55244%0.44SS*.THydrogen-bonded Turntrans-71.5125.6176-69.3-171175.1-164.90109.8V176 V177 R178 S183V176-K181 HydrophobicContact CB-CG 4.09Å; V176-K181 HydrophobicContact CG1-CG 3.96Å; V176-K181 WeakPolarHBondContact O-CE 3.47Å; V177-K181 PolarHBondContact O-N 3.16Å; R178-K181 PolarHBondContact O-N 3.33Å; K181-S183 VanDerWaalsContact C-N 3.25Å
182G98.4Very high98.5Very high27 Ų2785.9 Ų85.928%0.27843%0.431SS..THydrogen-bonded Turntrans79.61.9-173.800000114.1E167 F180 M184 E185 E186E167-G182 PolarHBondContact OE1-N 3.19Å; E167-G182 PolarHBondContact OE2-N 2.94Å; F180-G182 PolarHBondContact O-N 3.46Å; G182-M184 VanDerWaalsContact C-N 3.33Å; G182-M184 PolarHBondContact O-N 2.89Å; G182-E185 PolarHBondContact O-N 3.33Å; G182-E186 WeakPolarHBondContact O-CG 3.5Å; G182-E186 PolarHBondContact O-N 2.92Å; G182-E186 VanDerWaalsContact O-N 3.13Å
183S98.6Very high98.5Very high10 Ų1074.9 Ų74.97%0.0739%0.388CS..Hα-helixtrans-66.1-34.4-176.463.60000112.7E167 F180 K181 E186 W187E167-S183 PolarHBondContact OE2-N 2.8Å; E167-S183 VanDerWaalsContact OE2-N 3.09Å; F180-S183 VanDerWaalsContact O-CB 3.3Å; F180-S183 WeakPolarHBondContact O-CB 3.37Å; F180-S183 PolarHBondContact O-N 2.98Å; F180-S183 PolarHBondContact O-OG 2.9Å; K181-S183 VanDerWaalsContact C-N 3.25Å; S183-E186 PolarHBondContact O-N 2.79Å; S183-W187 VanDerWaalsContact O-CG 3.23Å; S183-W187 PolarHBondContact O-N 3.01Å; S183-W187 PolarHBondContact O-NE1 2.96Å
184M98.6Very high98.6Very high24 Ų2471.4 Ų71.412%0.11836%0.364CS..Hα-helixtrans-63.2-44.7176.6179.4172.3166.600111.4I98 E167 G182 W187 Q188 Y195 R223I98-M184 HydrophobicContact CB-CE 4.3Å; I98-M184 HydrophobicContact CG2-CE 4.19Å; E167-M184 HydrophobicContact CB-CB 4.19Å; E167-M184 WeakPolarHBondContact OE2-CB 2.96Å; E167-M184 PolarHBondContact OE2-N 2.86Å; G182-M184 VanDerWaalsContact C-N 3.33Å; G182-M184 PolarHBondContact O-N 2.89Å; M184-W187 PolarHBondContact O-N 3.25Å; M184-Q188 HydrophobicContact CG-CG 4.37Å; M184-Q188 WeakPolarHBondContact O-CB 3.44Å; M184-Q188 WeakPolarHBondContact O-CG 2.98Å; M184-Q188 PolarHBondContact O-N 3.13Å; M184-Q188 PolarHBondContact O-OE1 3.28Å; M184-Y195 HydrophobicContact CG-CE2 4.5Å; M184-R223 HydrophobicContact CE-CB 3.69Å; M184-R223 PolarHBondContact SD-NH2 3.49Å
185E98.5Very high98.6Very high145 Ų14570 Ų7068%0.67835%0.347SS*.Hα-helixtrans-62.1-43.5177.6-175.4176.4-176.600111.2G182 Q188 A189G182-E185 PolarHBondContact O-N 3.33Å; E185-Q188 PolarHBondContact O-N 3.14Å; E185-A189 WeakPolarHBondContact O-CB 3.44Å; E185-A189 PolarHBondContact O-N 3.27Å
186E98.8Very high98.7Very high113 Ų11363.4 Ų63.453%0.52832%0.323SS..Hα-helixtrans-58.5-52175-72.8-73.9133.500111.7G182 S183 Q188 A189 M190G182-E186 WeakPolarHBondContact O-CG 3.5Å; G182-E186 PolarHBondContact O-N 2.92Å; G182-E186 VanDerWaalsContact O-N 3.13Å; S183-E186 PolarHBondContact O-N 2.79Å; E186-Q188 VanDerWaalsContact C-N 3.32Å; E186-Q188 PolarHBondContact O-N 3.14Å; E186-A189 PolarHBondContact O-N 3.3Å; E186-M190 HydrophobicContact CB-CE 4.42Å; E186-M190 VanDerWaalsContact O-CG 3.28Å; E186-M190 WeakPolarHBondContact O-CG 3.32Å; E186-M190 PolarHBondContact O-N 2.72Å; E186-M190 WeakPolarHBondContact OE2-CE 3.42Å
187W98.8Very high98.7Very high51 Ų5164.6 Ų64.619%0.19333%0.329CS..Hα-helixtrans-65.4-35.3-179.7-59.4134.1000112.6I98 V114 L116 S183 M184 M190 G191 V192 Y195I98-W187 HydrophobicContact CD1-CB 4.16Å; V114-W187 HydrophobicContact CG1-CE3 4.42Å; V114-W187 HydrophobicContact CG1-CH2 3.68Å; V114-W187 HydrophobicContact CG1-CZ2 3.89Å; V114-W187 HydrophobicContact CG1-CZ3 3.95Å; V114-W187 HydrophobicContact CG2-CE3 4.31Å; V114-W187 HydrophobicContact CG2-CZ3 4.34Å; L116-W187 HydrophobicContact CD1-CZ2 4.49Å; L116-W187 HydrophobicContact CD2-CZ2 3.95Å; S183-W187 VanDerWaalsContact O-CG 3.23Å; S183-W187 PolarHBondContact O-N 3.01Å; S183-W187 PolarHBondContact O-NE1 2.96Å; M184-W187 PolarHBondContact O-N 3.25Å; W187-M190 HydrophobicContact CE3-SD 3.68Å; W187-M190 HydrophobicContact CZ3-CE 4.44Å; W187-M190 HydrophobicContact CZ3-SD 3.62Å; W187-M190 PolarHBondContact O-N 3Å; W187-G191 PolarHBondContact O-N 3.47Å; W187-V192 HydrophobicContact CB-CB 3.94Å; W187-V192 HydrophobicContact CB-CG1 4.47Å; W187-V192 HydrophobicContact CB-CG2 3.9Å; W187-V192 HydrophobicContact CE3-CG2 4.31Å; W187-V192 HydrophobicContact CG-CG2 4.47Å; W187-V192 WeakPolarHBondContact O-CB 3.15Å; W187-V192 PolarHBondContact O-N 2.92Å; W187-Y195 AromaticContact CD1-CZ 3.84Å
188Q98.7Very high98.7Very high52 Ų5262.2 Ų62.224%0.24331%0.313CS..Hα-helixtrans-60.8-48.5172.8-75.7175.1-54.600111.1I98 Q99 M184 E185 E186 M190 G191I98-Q188 HydrophobicContact CB-CG 4.01Å; I98-Q188 HydrophobicContact CD1-CG 4.02Å; I98-Q188 HydrophobicContact CG1-CG 4.04Å; I98-Q188 WeakPolarHBondContact O-CG 3.47Å; I98-Q188 PolarHBondContact O-NE2 3.26Å; Q99-Q188 PolarHBondContact NE2-O 3.32Å; M184-Q188 HydrophobicContact CG-CG 4.37Å; M184-Q188 WeakPolarHBondContact O-CB 3.44Å; M184-Q188 WeakPolarHBondContact O-CG 2.98Å; M184-Q188 PolarHBondContact O-N 3.13Å; M184-Q188 PolarHBondContact O-OE1 3.28Å; E185-Q188 PolarHBondContact O-N 3.14Å; E186-Q188 VanDerWaalsContact C-N 3.32Å; E186-Q188 PolarHBondContact O-N 3.14Å; Q188-M190 VanDerWaalsContact C-N 3.28Å; Q188-M190 PolarHBondContact O-N 3Å; Q188-G191 PolarHBondContact O-N 2.88Å
189A98.7Very high98.7Very high90 Ų9051.5 Ų51.574%0.74427%0.273SS*.Hα-helixtrans-64.9-31178.200000112.7E185 E186 G191E185-A189 WeakPolarHBondContact O-CB 3.44Å; E185-A189 PolarHBondContact O-N 3.27Å; E186-A189 PolarHBondContact O-N 3.3Å; A189-G191 PolarHBondContact O-N 2.85Å
190M98.8Very high98.7Very high115 Ų11544.1 Ų44.157%0.56724%0.239SC*.THydrogen-bonded Turntrans-79-0.5173.7-66.2179.6-164.600114E186 W187 Q188E186-M190 HydrophobicContact CB-CE 4.42Å; E186-M190 VanDerWaalsContact O-CG 3.28Å; E186-M190 WeakPolarHBondContact O-CG 3.32Å; E186-M190 PolarHBondContact O-N 2.72Å; E186-M190 WeakPolarHBondContact OE2-CE 3.42Å; W187-M190 HydrophobicContact CE3-SD 3.68Å; W187-M190 HydrophobicContact CZ3-CE 4.44Å; W187-M190 HydrophobicContact CZ3-SD 3.62Å; W187-M190 PolarHBondContact O-N 3Å; Q188-M190 VanDerWaalsContact C-N 3.28Å; Q188-M190 PolarHBondContact O-N 3Å
191G98.6Very high98.7Very high42 Ų4242 Ų4243%0.43323%0.229SC..THydrogen-bonded Turntrans80.915.717600000115.2W187 Q188 A189 M193W187-G191 PolarHBondContact O-N 3.47Å; Q188-G191 PolarHBondContact O-N 2.88Å; A189-G191 PolarHBondContact O-N 2.85Å; G191-M193 PolarHBondContact O-N 3.36Å
192V98.9Very high98.8Very high4 Ų436 Ų362%0.02420%0.203CC..  trans-64.1133172.6178.50000109.1I98 Q99 V114 V155 A157 W187I98-V192 HydrophobicContact CD1-CB 4.17Å; I98-V192 HydrophobicContact CD1-CG1 4.11Å; I98-V192 VanDerWaalsContact CG1-O 3.29Å; I98-V192 WeakPolarHBondContact CG1-O 3.39Å; Q99-V192 WeakPolarHBondContact CG-O 3.41Å; Q99-V192 PolarHBondContact NE2-O 3.03Å; V114-V192 HydrophobicContact CG2-CG2 4.04Å; V155-V192 HydrophobicContact CG1-CG2 4.09Å; A157-V192 HydrophobicContact CB-CG1 3.85Å; W187-V192 HydrophobicContact CB-CB 3.94Å; W187-V192 HydrophobicContact CB-CG1 4.47Å; W187-V192 HydrophobicContact CB-CG2 3.9Å; W187-V192 HydrophobicContact CE3-CG2 4.31Å; W187-V192 HydrophobicContact CG-CG2 4.47Å; W187-V192 WeakPolarHBondContact O-CB 3.15Å; W187-V192 PolarHBondContact O-N 2.92Å
193M98.9Very high98.8Very high10 Ų1034.8 Ų34.85%0.04919%0.19CC..  trans-80.1-41.1-172.4-60.9-174.4-57.400112.9A97 I98 I102 L108 H152 G154 V155 G191A97-M193 WeakPolarHBondContact CA-O 3.27Å; I98-M193 PolarHBondContact N-O 2.93Å; I102-M193 HydrophobicContact CD1-CB 3.75Å; I102-M193 HydrophobicContact CD1-CG 4.03Å; L108-M193 HydrophobicContact CB-CE 4.08Å; L108-M193 HydrophobicContact CD1-CB 4.15Å; L108-M193 HydrophobicContact CD2-SD 4.29Å; H152-M193 HydrophobicContact CB-SD 3.82Å; G154-M193 VanDerWaalsContact C-CE 3.47Å; G154-M193 WeakPolarHBondContact O-CE 3.3Å; V155-M193 PolarHBondContact O-N 3.05Å; G191-M193 PolarHBondContact O-N 3.36Å
194N98.9Very high98.8Very high0 Ų034.3 Ų34.30%019%0.187CC..EExtended strand (participates in β ladder)trans-159.1171-168.767-66000112.6T95 G96 L108 T156 A157T95-N194 HydrophobicContact CG2-CB 4.18Å; T95-N194 WeakPolarHBondContact OG1-CB 3.47Å; T95-N194 PolarHBondContact OG1-ND2 3.02Å; G96-N194 WeakPolarHBondContact O-CA 3.39Å; G96-N194 VanDerWaalsContact O-CB 3.23Å; G96-N194 WeakPolarHBondContact O-CB 3.49Å; L108-N194 HydrophobicContact CD1-CB 3.63Å; L108-N194 VanDerWaalsContact CD1-CG 3.49Å; L108-N194 WeakPolarHBondContact CD1-OD1 3.37Å; T156-N194 WeakPolarHBondContact CG2-ND2 3.23Å; T156-N194 PolarHBondContact OG1-OD1 3.05Å; A157-N194 PolarHBondContact N-O 3.04Å
195Y98.8Very high98.8Very high6 Ų633.2 Ų33.22%0.02418%0.182CC..EExtended strand (participates in β ladder)trans-107.3144.3165.2-74.4-77.5000111.8T95 G96 I98 L116 A157 Q166 M184 W187T95-Y195 PolarHBondContact OG1-O 3.34Å; G96-Y195 PolarHBondContact O-N 3.33Å; I98-Y195 HydrophobicContact CD1-CE2 4.35Å; I98-Y195 HydrophobicContact CG2-CD2 3.75Å; I98-Y195 HydrophobicContact CG2-CE2 4.01Å; L116-Y195 HydrophobicContact CD1-CE1 4.19Å; A157-Y195 HydrophobicContact CB-CD1 3.46Å; A157-Y195 VanDerWaalsContact CB-CD1 3.46Å; A157-Y195 HydrophobicContact CB-CE1 3.57Å; A157-Y195 HydrophobicContact CB-CG 4.37Å; A157-Y195 CarbonylContact O-C 3.55Å; A157-Y195 VanDerWaalsContact O-CA 3.24Å; A157-Y195 WeakPolarHBondContact O-CA 3.46Å; Q166-Y195 HydrophobicContact CB-CD1 4.47Å; Q166-Y195 HydrophobicContact CB-CD2 4.2Å; Q166-Y195 HydrophobicContact CB-CE2 4.39Å; Q166-Y195 HydrophobicContact CB-CG 4.22Å; Q166-Y195 HydrophobicContact CG-CD1 3.9Å; Q166-Y195 HydrophobicContact CG-CD2 4.29Å; Q166-Y195 HydrophobicContact CG-CE1 4.41Å; Q166-Y195 HydrophobicContact CG-CG 3.8Å; M184-Y195 HydrophobicContact CG-CE2 4.5Å; W187-Y195 AromaticContact CD1-CZ 3.84Å
196E98.8Very high98.8Very high20 Ų2026.3 Ų26.39%0.09315%0.15CC..EExtended strand (participates in β ladder)trans-147.2-166164.659.277.2-101.800109.7T156 A157 S158 S159 E198 S199 M215T156-E196 HydrophobicContact CG2-CG 3.38Å; A157-E196 PolarHBondContact O-N 2.96Å; S158-E196 CarbonylContact C-O 3.59Å; S158-E196 WeakPolarHBondContact CA-O 3.34Å; S158-E196 WeakPolarHBondContact CA-OE1 3.35Å; S158-E196 WeakPolarHBondContact CB-OE1 3.38Å; S158-E196 PolarHBondContact OG-OE1 3.05Å; S159-E196 PolarHBondContact N-O 3.1Å; E196-E198 PolarHBondContact OE1-N 3.37Å; E196-E198 PolarHBondContact OE2-N 3.11Å; E196-S199 VanDerWaalsContact CD-CB 3.43Å; E196-S199 VanDerWaalsContact CD-N 3.29Å; E196-S199 WeakPolarHBondContact OE1-CB 3.34Å; E196-S199 PolarHBondContact OE1-N 2.9Å; E196-S199 VanDerWaalsContact OE1-N 3.11Å; E196-S199 PolarHBondContact OE1-OG 2.83Å; E196-S199 WeakPolarHBondContact OE2-CB 3.17Å; E196-S199 PolarHBondContact OE2-N 3.48Å; E196-M215 HydrophobicContact CG-CE 3.81Å; E196-M215 HydrophobicContact CG-SD 4.33Å
197M98.9Very high98.8Very high27 Ų2723 Ų2313%0.13314%0.141CC..SBendtrans-135.79.2-167.5-58.1-173.555.700116I69 G70 G71 S159 F162I69-M197 HydrophobicContact CG2-CE 3.93Å; I69-M197 HydrophobicContact CG2-SD 4.25Å; G70-M197 WeakPolarHBondContact CA-O 3.33Å; G71-M197 PolarHBondContact N-O 2.97Å; S159-M197 WeakPolarHBondContact O-CA 3.36Å; S159-M197 WeakPolarHBondContact O-CB 3.38Å; S159-M197 VanDerWaalsContact O-CG 3.23Å; S159-M197 WeakPolarHBondContact O-CG 3.42Å; F162-M197 HydrophobicContact CB-SD 3.94Å; F162-M197 HydrophobicContact CD2-SD 4.46Å
198E98.9Very high98.8Very high19 Ų1922.8 Ų22.89%0.08915%0.148CC..SBendtrans-137.4-20.4-176.4-62.682-155.600114.7I69 G70 T74 R91 S158 E196 A200 T201 L202I69-E198 WeakPolarHBondContact CA-OE1 3.34Å; G70-E198 PolarHBondContact N-OE1 3.25Å; T74-E198 HydrophobicContact CG2-CB 4.48Å; T74-E198 WeakPolarHBondContact OG1-CG 3.45Å; R91-E198 IonicContact CZ-OE2 3.79Å; R91-E198 IonicContact NE-OE2 2.72Å; R91-E198 VanDerWaalsContact NH2-CG 3.27Å; R91-E198 IonicContact NH2-OE1 3.44Å; R91-E198 IonicContact NH2-OE2 3.33Å; R91-E198 PolarHBondContact NH2-OE2 3.36Å; S158-E198 PolarHBondContact OG-N 3.12Å; E196-E198 PolarHBondContact OE1-N 3.37Å; E196-E198 PolarHBondContact OE2-N 3.11Å; E198-A200 PolarHBondContact O-N 3.35Å; E198-T201 PolarHBondContact O-N 3.31Å; E198-L202 PolarHBondContact O-N 3.49Å
199S98.9Very high98.8Very high0 Ų024.4 Ų24.40%016%0.155CC..Hα-helixtrans-68.2-33.1-169.373.50000113.8S113 S158 E196 T201 L203 M215S113-S199 WeakPolarHBondContact CB-OG 3.43Å; S113-S199 WeakPolarHBondContact OG-CB 3.48Å; S113-S199 PolarHBondContact OG-OG 2.97Å; S158-S199 PolarHBondContact OG-N 2.73Å; E196-S199 VanDerWaalsContact CD-CB 3.43Å; E196-S199 VanDerWaalsContact CD-N 3.29Å; E196-S199 WeakPolarHBondContact OE1-CB 3.34Å; E196-S199 PolarHBondContact OE1-N 2.9Å; E196-S199 VanDerWaalsContact OE1-N 3.11Å; E196-S199 PolarHBondContact OE1-OG 2.83Å; E196-S199 WeakPolarHBondContact OE2-CB 3.17Å; E196-S199 PolarHBondContact OE2-N 3.48Å; S199-T201 PolarHBondContact O-N 2.86Å; S199-L203 WeakPolarHBondContact O-CB 3.26Å; S199-L203 WeakPolarHBondContact O-CG 3.45Å; S199-L203 PolarHBondContact O-N 2.88Å; S199-M215 VanDerWaalsContact CB-SD 3.59Å
200A98.9Very high98.8Very high0 Ų023.6 Ų23.60%016%0.155CC..Hα-helixtrans-62.3-45.7174.700000111.4R115 D117 S158 E198 T204R115-A200 HydrophobicContact CB-CB 4.26Å; R115-A200 HydrophobicContact CG-CB 4Å; D117-A200 HydrophobicContact CB-CB 4.25Å; D117-A200 VanDerWaalsContact OD1-CB 3.24Å; D117-A200 WeakPolarHBondContact OD1-CB 3.26Å; S158-A200 VanDerWaalsContact CB-N 3.33Å; S158-A200 PolarHBondContact OG-N 2.89Å; E198-A200 PolarHBondContact O-N 3.35Å; A200-T204 WeakPolarHBondContact O-CB 3.41Å; A200-T204 PolarHBondContact O-N 3.29Å; A200-T204 PolarHBondContact O-OG1 2.95Å
201T99Very high98.8Very high0 Ų019 Ų190%013%0.133CC..Hα-helixtrans-63.9-52.6176.3-51.20000111.4G71 D117 A119 E198 S199 L203 M205G71-T201 WeakPolarHBondContact CA-OG1 3.29Å; D117-T201 PolarHBondContact OD2-N 2.62Å; D117-T201 PolarHBondContact OD2-OG1 3.47Å; A119-T201 HydrophobicContact CB-CG2 3.7Å; E198-T201 PolarHBondContact O-N 3.31Å; S199-T201 PolarHBondContact O-N 2.86Å; T201-L203 PolarHBondContact O-N 3.04Å; T201-M205 WeakPolarHBondContact O-CB 3.3Å; T201-M205 PolarHBondContact O-N 3.46Å
202L99Very high98.8Very high1 Ų120.1 Ų20.11%0.00512%0.124CC..Hα-helixtrans-57.7-51.4-178.1174.265.1000111.4T74 V78 F89 R91 E198 C206 A213T74-L202 HydrophobicContact CG2-CB 4.24Å; V78-L202 HydrophobicContact CG2-CD1 3.59Å; F89-L202 HydrophobicContact CB-CD1 4.24Å; R91-L202 HydrophobicContact CB-CD2 3.59Å; R91-L202 HydrophobicContact CG-CD2 4.23Å; E198-L202 PolarHBondContact O-N 3.49Å; L202-C206 VanDerWaalsContact O-CB 3.31Å; L202-C206 WeakPolarHBondContact O-CB 3.42Å; L202-C206 PolarHBondContact O-N 3.41Å; L202-C206 PolarHBondContact O-SG 3.13Å; L202-C206 VanDerWaalsContact O-SG 3.36Å; L202-A213 HydrophobicContact CD1-CB 4.43Å; L202-A213 HydrophobicContact CG-CB 4.26Å
203L98.9Very high98.9Very high1 Ų120 Ų201%0.00512%0.124CC..Hα-helixtrans-71.2-42.3-173.8-60.5-174.6000111.5T110 A130 A132 S199 T201 A207 A213T110-L203 HydrophobicContact CG2-CD1 4.19Å; A130-L203 HydrophobicContact CB-CB 4.38Å; A132-L203 HydrophobicContact CB-CD1 4.25Å; A132-L203 HydrophobicContact CB-CD2 4.12Å; S199-L203 WeakPolarHBondContact O-CB 3.26Å; S199-L203 WeakPolarHBondContact O-CG 3.45Å; S199-L203 PolarHBondContact O-N 2.88Å; T201-L203 PolarHBondContact O-N 3.04Å; L203-A207 WeakPolarHBondContact O-CB 3.37Å; L203-A207 PolarHBondContact O-N 3.21Å; L203-A213 HydrophobicContact CD2-CB 3.94Å
204T99Very high98.9Very high0 Ų019.6 Ų19.60%012%0.122CC..Hα-helixtrans-64-45.3175.1-64.10000111.9F123 A124 F128 A130 A200 S208F123-T204 HydrophobicContact CB-CG2 4.48Å; A124-T204 HydrophobicContact CB-CG2 3.73Å; F128-T204 HydrophobicContact CD1-CG2 4.2Å; A130-T204 WeakPolarHBondContact CA-OG1 3.48Å; A130-T204 VanDerWaalsContact CB-OG1 3.24Å; A130-T204 WeakPolarHBondContact CB-OG1 3.41Å; A200-T204 WeakPolarHBondContact O-CB 3.41Å; A200-T204 PolarHBondContact O-N 3.29Å; A200-T204 PolarHBondContact O-OG1 2.95Å; T204-S208 WeakPolarHBondContact O-CB 3.23Å; T204-S208 PolarHBondContact O-N 2.89Å; T204-S208 VanDerWaalsContact O-N 3.13Å; T204-S208 PolarHBondContact O-OG 3.42Å
205M98.9Very high98.9Very high1 Ų119.8 Ų19.81%0.00512%0.123CC..Hα-helixtrans-62.8-43.5179.9-179.7177.9-167.600111.9V78 E79 F123 T201 S208 Q209V78-M205 HydrophobicContact CB-CE 4.33Å; V78-M205 HydrophobicContact CB-SD 3.9Å; V78-M205 HydrophobicContact CG1-CE 4.15Å; V78-M205 HydrophobicContact CG1-CG 4.4Å; V78-M205 HydrophobicContact CG1-SD 3.78Å; E79-M205 HydrophobicContact CB-CE 3.89Å; F123-M205 HydrophobicContact CD1-CB 4.35Å; F123-M205 HydrophobicContact CD1-CE 4.48Å; F123-M205 HydrophobicContact CD1-CG 3.86Å; F123-M205 HydrophobicContact CD2-CB 3.87Å; F123-M205 HydrophobicContact CD2-CG 4.08Å; F123-M205 HydrophobicContact CE1-CE 3.5Å; F123-M205 VanDerWaalsContact CE1-CE 3.5Å; F123-M205 HydrophobicContact CE1-CG 3.72Å; F123-M205 HydrophobicContact CE1-SD 3.92Å; F123-M205 HydrophobicContact CE2-CB 4.04Å; F123-M205 HydrophobicContact CE2-CE 4.38Å; F123-M205 HydrophobicContact CE2-CG 3.94Å; F123-M205 HydrophobicContact CE2-SD 3.84Å; F123-M205 HydrophobicContact CG-CB 4.03Å; F123-M205 HydrophobicContact CG-CG 4.05Å; F123-M205 HydrophobicContact CZ-CB 4.38Å; F123-M205 HydrophobicContact CZ-CE 3.43Å; F123-M205 VanDerWaalsContact CZ-CE 3.43Å; F123-M205 HydrophobicContact CZ-CG 3.76Å; F123-M205 HydrophobicContact CZ-SD 3.48Å; F123-M205 WeakPolarHBondContact CZ-SD 3.18Å; T201-M205 WeakPolarHBondContact O-CB 3.3Å; T201-M205 PolarHBondContact O-N 3.46Å; M205-S208 PolarHBondContact O-OG 3.47Å; M205-Q209 WeakPolarHBondContact O-CB 3.5Å; M205-Q209 VanDerWaalsContact O-CG 3.26Å; M205-Q209 WeakPolarHBondContact O-CG 3.46Å; M205-Q209 PolarHBondContact O-N 3.39Å; M205-Q209 PolarHBondContact O-NE2 3.05Å
206C98.9Very high98.9Very high1 Ų119.5 Ų19.51%0.00712%0.121CC..Hα-helixtrans-72.4-47-179.7-73.10000112.1L202 S208 Q209 G210 L211 A213L202-C206 VanDerWaalsContact O-CB 3.31Å; L202-C206 WeakPolarHBondContact O-CB 3.42Å; L202-C206 PolarHBondContact O-N 3.41Å; L202-C206 PolarHBondContact O-SG 3.13Å; L202-C206 VanDerWaalsContact O-SG 3.36Å; C206-S208 PolarHBondContact O-N 3.44Å; C206-Q209 PolarHBondContact O-N 2.88Å; C206-Q209 VanDerWaalsContact O-N 3.08Å; C206-G210 PolarHBondContact O-N 3.06Å; C206-L211 CarbonylContact C-O 3.4Å; C206-L211 HydrophobicContact CB-CB 3.9Å; C206-L211 WeakPolarHBondContact CB-O 3.24Å; C206-L211 PolarHBondContact O-N 3.21Å; C206-L211 VanDerWaalsContact O-N 3.13Å; C206-L211 VanDerWaalsContact O-O 3.12Å; C206-A213 HydrophobicContact CB-CB 3.63Å
207A98.9Very high98.9Very high43 Ų4318.8 Ų18.836%0.35512%0.119SC..Hα-helixtrans-62.6-28.7-178.900000113.1F128 V131 L203F128-A207 HydrophobicContact CE1-CB 3.94Å; F128-A207 HydrophobicContact CZ-CB 4.23Å; V131-A207 HydrophobicContact CG1-CB 4.39Å; L203-A207 WeakPolarHBondContact O-CB 3.37Å; L203-A207 PolarHBondContact O-N 3.21Å
208S98.7Very high98.8Very high46 Ų4617.5 Ų17.532%0.32211%0.113SC..Hα-helixtrans-86.2-12.3176.458.10000114.6T204 M205 C206T204-S208 WeakPolarHBondContact O-CB 3.23Å; T204-S208 PolarHBondContact O-N 2.89Å; T204-S208 VanDerWaalsContact O-N 3.13Å; T204-S208 PolarHBondContact O-OG 3.42Å; M205-S208 PolarHBondContact O-OG 3.47Å; C206-S208 PolarHBondContact O-N 3.44Å
209Q98.7Very high98.7Very high87 Ų8716.6 Ų16.641%0.40711%0.108SC..Hα-helixtrans-118.710.4-173.6-64.8-170.2104.300114.5M205 C206 L211M205-Q209 WeakPolarHBondContact O-CB 3.5Å; M205-Q209 VanDerWaalsContact O-CG 3.26Å; M205-Q209 WeakPolarHBondContact O-CG 3.46Å; M205-Q209 PolarHBondContact O-N 3.39Å; M205-Q209 PolarHBondContact O-NE2 3.05Å; C206-Q209 PolarHBondContact O-N 2.88Å; C206-Q209 VanDerWaalsContact O-N 3.08Å; Q209-L211 VanDerWaalsContact C-N 3.29Å; Q209-L211 HydrophobicContact CB-CD1 4.46Å; Q209-L211 HydrophobicContact CB-CG 4.45Å; Q209-L211 PolarHBondContact O-N 3.42Å
210G98.4Very high98.6Very high72 Ų7218 Ų1874%0.74212%0.116SC*.THydrogen-bonded Turntrans69.726.4179.700000113.6C206C206-G210 PolarHBondContact O-N 3.06Å
211L98.9Very high98.5Very high20 Ų2018.7 Ų18.711%0.10512%0.12CC..  trans-102.3142.8172.3-55.6171.2000108.6V78 A82 F89 C206 Q209V78-L211 HydrophobicContact CG1-CD1 4.16Å; A82-L211 HydrophobicContact CB-CD1 3.95Å; A82-L211 HydrophobicContact CB-CD2 4.23Å; F89-L211 HydrophobicContact CD2-CB 4.33Å; F89-L211 HydrophobicContact CE2-CB 4.12Å; F89-L211 HydrophobicContact CE2-CD1 3.88Å; F89-L211 HydrophobicContact CE2-CD2 4.27Å; F89-L211 HydrophobicContact CE2-CG 4.31Å; C206-L211 CarbonylContact C-O 3.4Å; C206-L211 HydrophobicContact CB-CB 3.9Å; C206-L211 WeakPolarHBondContact CB-O 3.24Å; C206-L211 PolarHBondContact O-N 3.21Å; C206-L211 VanDerWaalsContact O-N 3.13Å; C206-L211 VanDerWaalsContact O-O 3.12Å; Q209-L211 VanDerWaalsContact C-N 3.29Å; Q209-L211 HydrophobicContact CB-CD1 4.46Å; Q209-L211 HydrophobicContact CB-CG 4.45Å; Q209-L211 PolarHBondContact O-N 3.42Å
212R98.9Very high98.3Very high65 Ų6518.8 Ų18.825%0.24512%0.121CC..EExtended strand (participates in β ladder)trans-88133.3176.4-58.2-170.8-591753.6109.9R87 T88 F89 D133 E135 L252R87-R212 PolarHBondContact O-N 2.95Å; T88-R212 CarbonylContact C-O 3.5Å; T88-R212 WeakPolarHBondContact CA-O 3.5Å; T88-R212 HydrophobicContact CG2-CB 4.23Å; T88-R212 PolarHBondContact OG1-NE 3.31Å; T88-R212 VanDerWaalsContact OG1-NE 3.12Å; T88-R212 PolarHBondContact OG1-NH2 2.58Å; F89-R212 PolarHBondContact N-O 3.09Å; D133-R212 HydrophobicContact CB-CB 4.02Å; E135-R212 IonicContact OE2-CZ 3.82Å; E135-R212 IonicContact OE2-NH1 2.7Å; E135-R212 PolarHBondContact OE2-NH1 3.24Å; R212-L252 PolarHBondContact NH2-O 3.06Å
213A99Very high98.2Very high2 Ų221.1 Ų21.12%0.01713%0.129CC..EExtended strand (participates in β ladder)trans-141.4141.1177.200000113F89 D133 L202 L203 C206F89-A213 HydrophobicContact CB-CB 4.34Å; F89-A213 VanDerWaalsContact O-CA 3.25Å; F89-A213 WeakPolarHBondContact O-CA 3.38Å; D133-A213 WeakPolarHBondContact CB-O 3.44Å; D133-A213 PolarHBondContact N-O 3.03Å; L202-A213 HydrophobicContact CD1-CB 4.43Å; L202-A213 HydrophobicContact CG-CB 4.26Å; L203-A213 HydrophobicContact CD2-CB 3.94Å; C206-A213 HydrophobicContact CB-CB 3.63Å
214G98.9Very high97.9Very high0 Ų023.6 Ų23.60%015%0.145CC..EExtended strand (participates in β ladder)trans-140.3159.4171.400000111.3F89 R91F89-G214 PolarHBondContact O-N 2.98Å; R91-G214 PolarHBondContact N-O 2.87Å
215M98.9Very high97.4Very high4 Ų429.3 Ų29.32%0.0217%0.171CC..EExtended strand (participates in β ladder)trans-134.9132.7179.7-178.6168.775.800112.2R91 V109 T110 T156 E196 S199R91-M215 HydrophobicContact CB-CB 3.95Å; R91-M215 HydrophobicContact CB-CG 3.85Å; R91-M215 HydrophobicContact CB-SD 4.35Å; R91-M215 HydrophobicContact CG-CB 4.31Å; R91-M215 HydrophobicContact CG-CG 3.69Å; R91-M215 HydrophobicContact CG-SD 3.66Å; R91-M215 WeakPolarHBondContact O-CA 3.33Å; V109-M215 WeakPolarHBondContact CA-O 3.35Å; T110-M215 HydrophobicContact CG2-CE 3.97Å; T110-M215 PolarHBondContact N-O 3.36Å; T110-M215 VanDerWaalsContact N-O 3.12Å; T110-M215 WeakPolarHBondContact OG1-CE 3.37Å; T156-M215 HydrophobicContact CG2-CE 4.05Å; E196-M215 HydrophobicContact CG-CE 3.81Å; E196-M215 HydrophobicContact CG-SD 4.33Å; S199-M215 VanDerWaalsContact CB-SD 3.59Å
216V98.8Very high96.7Very high0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-121.6142.1168.461.20000110.4R91 I92 G93 V107 L108 V109 L140 I244 V245R91-V216 PolarHBondContact O-N 3.22Å; I92-V216 WeakPolarHBondContact CA-O 3.46Å; I92-V216 HydrophobicContact CB-CG1 4.41Å; I92-V216 HydrophobicContact CD1-CG1 3.84Å; G93-V216 PolarHBondContact N-O 3.03Å; V107-V216 HydrophobicContact CG1-CG2 3.41Å; V107-V216 VanDerWaalsContact CG1-CG2 3.41Å; L108-V216 CarbonylContact O-C 3.59Å; L108-V216 VanDerWaalsContact O-CA 3.32Å; L108-V216 WeakPolarHBondContact O-CA 3.24Å; V109-V216 HydrophobicContact CG2-CG2 4.47Å; L140-V216 HydrophobicContact CD1-CB 4.45Å; L140-V216 HydrophobicContact CD2-CB 3.94Å; L140-V216 HydrophobicContact CD2-CG1 3.75Å; V216-I244 HydrophobicContact CG2-CG2 4.12Å; V216-V245 HydrophobicContact CG1-CB 4.03Å; V216-V245 HydrophobicContact CG1-CG2 4.3Å
217A98.7Very high95.6Very high5 Ų539.3 Ų39.34%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-137.8140.317600000111.7G93 T95 V107 L108G93-A217 VanDerWaalsContact O-CA 3.29Å; G93-A217 WeakPolarHBondContact O-CA 3.14Å; T95-A217 HydrophobicContact CG2-CB 3.68Å; V107-A217 WeakPolarHBondContact CA-O 3.4Å; L108-A217 PolarHBondContact N-O 3.41Å; L108-A217 PolarHBondContact O-N 2.88Å
218G97.9Very high94.8Very high0 Ų043.6 Ų43.60%023%0.233CC..EExtended strand (participates in β ladder)trans-89.3133169.600000111.7G93 T94 T95 I220 T237G93-G218 PolarHBondContact O-N 3.48Å; T94-G218 CarbonylContact C-O 3.59Å; T94-G218 VanDerWaalsContact CA-O 3.26Å; T94-G218 WeakPolarHBondContact CA-O 3.48Å; T95-G218 PolarHBondContact N-O 2.82Å; G218-I220 PolarHBondContact O-N 2.85Å; G218-T237 VanDerWaalsContact C-CG2 3.49Å; G218-T237 VanDerWaalsContact CA-CG2 3.46Å
219V97.6Very high93.9Very high0 Ų043.5 Ų43.50%023%0.232CC..EExtended strand (participates in β ladder)trans-79.7112.5-179.3-177.10000110.1T95 A97 I102 N103 V104 G105 D106 L108 V221T95-V219 HydrophobicContact CG2-CG2 4.32Å; A97-V219 HydrophobicContact CB-CG1 3.81Å; I102-V219 HydrophobicContact CG2-CG1 4.3Å; I102-V219 HydrophobicContact CG2-CG2 3.75Å; N103-V219 WeakPolarHBondContact O-CB 3.37Å; N103-V219 WeakPolarHBondContact O-CG1 3.37Å; V104-V219 WeakPolarHBondContact CA-O 3.34Å; V104-V219 WeakPolarHBondContact CG1-O 3.49Å; G105-V219 PolarHBondContact N-O 3.09Å; D106-V219 HydrophobicContact CB-CG2 4.28Å; D106-V219 WeakPolarHBondContact O-CG2 3.46Å; D106-V219 PolarHBondContact O-N 2.77Å; L108-V219 HydrophobicContact CD1-CG2 3.88Å; L108-V219 HydrophobicContact CD2-CG2 3.86Å; L108-V219 HydrophobicContact CG-CG2 3.62Å; V219-V221 WeakPolarHBondContact CG1-O 3.38Å
220I96.1Very high93.3Very high30 Ų3043.8 Ų43.815%0.15424%0.236CC..EExtended strand (participates in β ladder)trans-100.1-18.6-179.656166.1000113.3T94 T95 G218 P229 M234 T237T94-I220 HydrophobicContact CG2-CG2 3.75Å; T95-I220 WeakPolarHBondContact O-CG1 3.41Å; T95-I220 PolarHBondContact O-N 3.19Å; G218-I220 PolarHBondContact O-N 2.85Å; I220-P229 VanDerWaalsContact O-CB 3.25Å; I220-P229 WeakPolarHBondContact O-CB 3.29Å; I220-M234 HydrophobicContact CB-CG 3.91Å; I220-M234 HydrophobicContact CB-SD 4.42Å; I220-M234 HydrophobicContact CD1-SD 4.25Å; I220-M234 HydrophobicContact CG2-CB 4.34Å; I220-M234 HydrophobicContact CG2-CG 3.91Å; I220-T237 HydrophobicContact CG2-CG2 4.25Å
221V95.8Very high92.8Very high15 Ų1543.4 Ų43.49%0.09123%0.226CC..EExtended strand (participates in β ladder)trans-152.3150.5-177.667.20000109.6G96 A97 V219 Q226 E227G96-V221 CarbonylContact C-O 3.57Å; G96-V221 VanDerWaalsContact CA-O 3.31Å; G96-V221 WeakPolarHBondContact CA-O 3.39Å; A97-V221 PolarHBondContact N-O 3.35Å; V219-V221 WeakPolarHBondContact CG1-O 3.38Å; V221-Q226 WeakPolarHBondContact CG2-O 3.02Å; V221-E227 WeakPolarHBondContact CG2-O 3.47Å
222N96.2Very high92.2Very high2 Ų248.8 Ų48.81%0.01125%0.25CS..EExtended strand (participates in β ladder)trans-122117169.6-173.4-23.5000110A97 Q99 I102 T224 Q225 Q226A97-N222 PolarHBondContact O-OD1 2.91Å; Q99-N222 PolarHBondContact O-ND2 2.99Å; I102-N222 PolarHBondContact O-ND2 2.9Å; N222-T224 PolarHBondContact O-N 3.4Å; N222-T224 VanDerWaalsContact O-N 3.12Å; N222-T224 WeakPolarHBondContact OD1-CG2 3.49Å; N222-T224 PolarHBondContact OD1-N 3.2Å; N222-T224 PolarHBondContact OD1-OG1 3.33Å; N222-Q225 HydrophobicContact CB-CG 4.33Å; N222-Q225 PolarHBondContact O-N 2.96Å; N222-Q226 PolarHBondContact O-N 3.37Å; N222-Q226 VanDerWaalsContact O-N 3.13Å
223R95.5Very high91.6Very high49 Ų4947.6 Ų47.619%0.18525%0.251CS..THydrogen-bonded Turntrans-62.8-15.5-178.6-70.6-78.6-58.5-77.30.2113.8A97 I98 Q166 M184A97-R223 WeakPolarHBondContact O-CB 3.31Å; A97-R223 PolarHBondContact O-N 2.91Å; I98-R223 HydrophobicContact CG2-CB 4.35Å; I98-R223 HydrophobicContact CG2-CG 4.34Å; Q166-R223 PolarHBondContact O-NH1 2.54Å; Q166-R223 PolarHBondContact O-NH2 3Å; M184-R223 HydrophobicContact CE-CB 3.69Å; M184-R223 PolarHBondContact SD-NH2 3.49Å
224T94Very high91.1Very high54 Ų5450.2 Ų50.233%0.33126%0.263SS..THydrogen-bonded Turntrans-88-517678.10000113.4I98 P100 N222I98-T224 WeakPolarHBondContact O-CG2 3.47Å; P100-T224 WeakPolarHBondContact CA-OG1 3.45Å; P100-T224 HydrophobicContact CG-CG2 4.13Å; N222-T224 PolarHBondContact O-N 3.4Å; N222-T224 VanDerWaalsContact O-N 3.12Å; N222-T224 WeakPolarHBondContact OD1-CG2 3.49Å; N222-T224 PolarHBondContact OD1-N 3.2Å; N222-T224 PolarHBondContact OD1-OG1 3.33Å
225Q88.8Confident90.7Very high119 Ų11957.3 Ų57.356%0.55629%0.294SS*.THydrogen-bonded Turntrans-124.4-63.2-174.1-56.1179.916.600111.5N222N222-Q225 HydrophobicContact CB-CG 4.33Å; N222-Q225 PolarHBondContact O-N 2.96Å
226Q83.1Confident90.3Very high129 Ų12962.3 Ų62.360%0.60332%0.317SS*.BIsolated β-bridgetrans-159.1147.6-178.8-171.2-179.2-15.800109.8V221 N222V221-Q226 WeakPolarHBondContact CG2-O 3.02Å; N222-Q226 PolarHBondContact O-N 3.37Å; N222-Q226 VanDerWaalsContact O-N 3.13Å
227E76.7Confident90.1Very high84 Ų8462.5 Ų62.539%0.39332%0.319SS..SBendtrans-94-14.8-176.7-168.1156.2-15500114.7R168 V221 P229R168-E227 IonicContact CZ-OE1 2.81Å; R168-E227 IonicContact NE-OE1 2.8Å; R168-E227 PolarHBondContact NE-OE1 2.76Å; R168-E227 IonicContact NH2-OE1 3.31Å; V221-E227 WeakPolarHBondContact CG2-O 3.47Å; E227-P229 WeakPolarHBondContact O-CD 3.33Å
228I81.6Confident89.8Confident132 Ų13264.1 Ų64.168%0.67733%0.325SS*.SBendtrans-92.4114.5-178.8-58.6172.5000109.6
229P79.7Confident89.6Confident44 Ų4467.3 Ų67.329%0.28635%0.347SS..  trans-76.6149.2178.633-37000112I220 E227 M234I220-P229 VanDerWaalsContact O-CB 3.25Å; I220-P229 WeakPolarHBondContact O-CB 3.29Å; E227-P229 WeakPolarHBondContact O-CD 3.33Å; P229-M234 HydrophobicContact CB-CE 4Å; P229-M234 HydrophobicContact CB-CG 3.7Å; P229-M234 HydrophobicContact CB-SD 3.46Å; P229-M234 WeakPolarHBondContact CB-SD 3.44Å; P229-M234 HydrophobicContact CG-CE 3.68Å; P229-M234 HydrophobicContact CG-CG 4.3Å; P229-M234 HydrophobicContact CG-SD 3.37Å; P229-M234 WeakPolarHBondContact CG-SD 3.24Å
230N86.2Confident89.5Confident93 Ų9369.9 Ų69.950%0.49736%0.36SS..  trans-78.9124.8170.7179.8-50.1000110E232 T233 M234N230-E232 VanDerWaalsContact C-N 3.33Å; N230-E232 PolarHBondContact O-N 3.42Å; N230-E232 WeakPolarHBondContact OD1-CB 3.45Å; N230-E232 PolarHBondContact OD1-N 3.43Å; N230-T233 PolarHBondContact O-N 2.79Å; N230-T233 PolarHBondContact OD1-N 2.85Å; N230-M234 WeakPolarHBondContact O-CG 3.44Å; N230-M234 PolarHBondContact O-N 2.89Å
231A87Confident89.5Confident64 Ų6468.5 Ų68.553%0.52935%0.353SS..Hα-helixtrans-61.2-34.6-174.900000114.7M234 K235A231-M234 HydrophobicContact CB-CE 4.29Å; A231-K235 PolarHBondContact O-N 3.09Å
232E86.3Confident89.5Confident133 Ų13368.2 Ų68.262%0.62135%0.351SS*.Hα-helixtrans-71-47.2176.5-175.4175.7-178.300110.5N230 M234 K235 Q236N230-E232 VanDerWaalsContact C-N 3.33Å; N230-E232 PolarHBondContact O-N 3.42Å; N230-E232 WeakPolarHBondContact OD1-CB 3.45Å; N230-E232 PolarHBondContact OD1-N 3.43Å; E232-M234 VanDerWaalsContact C-N 3.32Å; E232-M234 PolarHBondContact O-N 3.13Å; E232-K235 PolarHBondContact O-N 3.21Å; E232-Q236 WeakPolarHBondContact O-CG 3.28Å; E232-Q236 PolarHBondContact O-N 3.39Å; E232-Q236 VanDerWaalsContact O-N 3.09Å
233T86.1Confident89.6Confident41 Ų4174.1 Ų74.125%0.25238%0.376SS..Hα-helixtrans-60.3-42.6177.5-470000111.1V104 N230 K235 Q236 T237V104-T233 HydrophobicContact CG1-CG2 3.54Å; N230-T233 PolarHBondContact O-N 2.79Å; N230-T233 PolarHBondContact OD1-N 2.85Å; T233-K235 PolarHBondContact O-N 2.92Å; T233-Q236 PolarHBondContact O-N 3.39Å; T233-T237 WeakPolarHBondContact O-CB 3.43Å; T233-T237 PolarHBondContact O-N 3.41Å; T233-T237 PolarHBondContact O-OG1 2.88Å
234M89.8Confident89.7Confident56 Ų5671.8 Ų71.828%0.27637%0.368SS..Hα-helixtrans-55.2-47.6175.6-76-164.6-72.900112.9I220 P229 N230 A231 E232 Q236 T237 E238I220-M234 HydrophobicContact CB-CG 3.91Å; I220-M234 HydrophobicContact CB-SD 4.42Å; I220-M234 HydrophobicContact CD1-SD 4.25Å; I220-M234 HydrophobicContact CG2-CB 4.34Å; I220-M234 HydrophobicContact CG2-CG 3.91Å; P229-M234 HydrophobicContact CB-CE 4Å; P229-M234 HydrophobicContact CB-CG 3.7Å; P229-M234 HydrophobicContact CB-SD 3.46Å; P229-M234 WeakPolarHBondContact CB-SD 3.44Å; P229-M234 HydrophobicContact CG-CE 3.68Å; P229-M234 HydrophobicContact CG-CG 4.3Å; P229-M234 HydrophobicContact CG-SD 3.37Å; P229-M234 WeakPolarHBondContact CG-SD 3.24Å; N230-M234 WeakPolarHBondContact O-CG 3.44Å; N230-M234 PolarHBondContact O-N 2.89Å; A231-M234 HydrophobicContact CB-CE 4.29Å; E232-M234 VanDerWaalsContact C-N 3.32Å; E232-M234 PolarHBondContact O-N 3.13Å; M234-Q236 VanDerWaalsContact C-N 3.33Å; M234-Q236 PolarHBondContact O-N 3.33Å; M234-T237 PolarHBondContact O-N 3.39Å; M234-E238 WeakPolarHBondContact O-CB 3.16Å; M234-E238 PolarHBondContact O-N 2.95Å
235K90.1Very high90Very high149 Ų14969.2 Ų69.265%0.64835%0.352SS*.Hα-helixtrans-64.5-39.4179.7-73.9-178.6178.5-178.40111.9A231 E232 T233 S239A231-K235 PolarHBondContact O-N 3.09Å; E232-K235 PolarHBondContact O-N 3.21Å; T233-K235 PolarHBondContact O-N 2.92Å; K235-S239 WeakPolarHBondContact O-CB 3.46Å; K235-S239 PolarHBondContact O-N 3.21Å; K235-S239 PolarHBondContact O-OG 2.88Å
236Q90.9Very high90.4Very high110 Ų11064.1 Ų64.151%0.51433%0.329SS..Hα-helixtrans-65.5-47.7177-69.6174.8-1.200111E232 T233 M234 E238 S239 Q240E232-Q236 WeakPolarHBondContact O-CG 3.28Å; E232-Q236 PolarHBondContact O-N 3.39Å; E232-Q236 VanDerWaalsContact O-N 3.09Å; T233-Q236 PolarHBondContact O-N 3.39Å; M234-Q236 VanDerWaalsContact C-N 3.33Å; M234-Q236 PolarHBondContact O-N 3.33Å; Q236-E238 PolarHBondContact O-N 2.94Å; Q236-S239 PolarHBondContact O-N 3.35Å; Q236-Q240 WeakPolarHBondContact O-CB 3.37Å; Q236-Q240 PolarHBondContact O-N 2.88Å
237T93.1Very high91.2Very high4 Ų459.7 Ų59.73%0.02531%0.308CS..Hα-helixtrans-60.6-44.6177.2-59.10000112.1G105 G218 I220 T233 M234 Q240 A241G105-T237 WeakPolarHBondContact CA-OG1 3.43Å; G218-T237 VanDerWaalsContact C-CG2 3.49Å; G218-T237 VanDerWaalsContact CA-CG2 3.46Å; I220-T237 HydrophobicContact CG2-CG2 4.25Å; T233-T237 WeakPolarHBondContact O-CB 3.43Å; T233-T237 PolarHBondContact O-N 3.41Å; T233-T237 PolarHBondContact O-OG1 2.88Å; M234-T237 PolarHBondContact O-N 3.39Å; T237-Q240 PolarHBondContact O-N 2.77Å; T237-A241 WeakPolarHBondContact O-CB 3.29Å; T237-A241 PolarHBondContact O-N 2.94Å
238E92.8Very high92.2Very high38 Ų3855.7 Ų55.718%0.17829%0.289CS..Hα-helixtrans-60.3-47.4175.3-175.6179.4-174.500110.8R30 T94 M234 Q236 Q240 A241 V242R30-E238 IonicContact CZ-OE1 3.61Å; R30-E238 IonicContact NE-OE1 3.83Å; R30-E238 PolarHBondContact NE-OE1 3.4Å; R30-E238 IonicContact NH2-OE1 2.77Å; R30-E238 PolarHBondContact NH2-OE1 2.91Å; T94-E238 HydrophobicContact CG2-CB 4.44Å; M234-E238 WeakPolarHBondContact O-CB 3.16Å; M234-E238 PolarHBondContact O-N 2.95Å; Q236-E238 PolarHBondContact O-N 2.94Å; E238-Q240 VanDerWaalsContact C-N 3.3Å; E238-Q240 PolarHBondContact O-N 3.38Å; E238-A241 PolarHBondContact O-N 3.04Å; E238-V242 WeakPolarHBondContact O-CB 3.47Å; E238-V242 VanDerWaalsContact O-CG2 3.26Å; E238-V242 WeakPolarHBondContact O-CG2 3.32Å; E238-V242 PolarHBondContact O-N 3.4Å
239S94Very high93Very high67 Ų6749.4 Ų49.447%0.46926%0.257SS..Hα-helixtrans-61.5-38.6178.6-58.90000112.4K235 Q236 K243K235-S239 WeakPolarHBondContact O-CB 3.46Å; K235-S239 PolarHBondContact O-N 3.21Å; K235-S239 PolarHBondContact O-OG 2.88Å; Q236-S239 PolarHBondContact O-N 3.35Å; S239-K243 WeakPolarHBondContact O-CG 3.25Å; S239-K243 PolarHBondContact O-N 2.88Å; S239-K243 VanDerWaalsContact O-N 3.11Å
240Q94.9Very high93.9Very high55 Ų5552.1 Ų52.126%0.25726%0.262SS..Hα-helixtrans-66.7-49.3177.1-175.9174.2-3.400111.4I147 Q236 T237 E238 V242 K243 I244I147-Q240 HydrophobicContact CD1-CG 3.7Å; Q236-Q240 WeakPolarHBondContact O-CB 3.37Å; Q236-Q240 PolarHBondContact O-N 2.88Å; T237-Q240 PolarHBondContact O-N 2.77Å; E238-Q240 VanDerWaalsContact C-N 3.3Å; E238-Q240 PolarHBondContact O-N 3.38Å; Q240-V242 VanDerWaalsContact C-N 3.27Å; Q240-V242 PolarHBondContact O-N 2.89Å; Q240-K243 WeakPolarHBondContact O-CB 3.35Å; Q240-K243 PolarHBondContact O-N 2.86Å; Q240-K243 VanDerWaalsContact O-N 3.12Å; Q240-I244 WeakPolarHBondContact O-CG1 3.32Å; Q240-I244 PolarHBondContact O-N 3.17Å; Q240-I244 VanDerWaalsContact O-N 3.1Å
241A96.5Very high94.5Very high1 Ų152.6 Ų52.61%0.00826%0.257CS..Hα-helixtrans-64.6-33.4179.600000111.9I92 T237 E238 I244 V245I92-A241 HydrophobicContact CD1-CB 3.41Å; I92-A241 VanDerWaalsContact CD1-CB 3.41Å; T237-A241 WeakPolarHBondContact O-CB 3.29Å; T237-A241 PolarHBondContact O-N 2.94Å; E238-A241 PolarHBondContact O-N 3.04Å; A241-I244 PolarHBondContact O-N 3.43Å; A241-V245 PolarHBondContact O-N 3.06Å
242V97Very high95.1Very high9 Ų950.7 Ų50.76%0.05524%0.237CC..Hα-helixtrans-64.5-42.3171.8168.80000112I34 L37 I92 E238 Q240 I244 V245 V246I34-V242 HydrophobicContact CB-CG1 4.45Å; I34-V242 HydrophobicContact CD1-CG2 4.5Å; I34-V242 HydrophobicContact CG1-CG1 3.84Å; I34-V242 HydrophobicContact CG1-CG2 3.92Å; L37-V242 HydrophobicContact CD1-CG1 3.28Å; I92-V242 HydrophobicContact CG1-CG2 4.41Å; E238-V242 WeakPolarHBondContact O-CB 3.47Å; E238-V242 VanDerWaalsContact O-CG2 3.26Å; E238-V242 WeakPolarHBondContact O-CG2 3.32Å; E238-V242 PolarHBondContact O-N 3.4Å; Q240-V242 VanDerWaalsContact C-N 3.27Å; Q240-V242 PolarHBondContact O-N 2.89Å; V242-I244 VanDerWaalsContact C-N 3.28Å; V242-I244 PolarHBondContact O-N 2.9Å; V242-V245 VanDerWaalsContact O-CG1 3.3Å; V242-V245 WeakPolarHBondContact O-CG1 3.44Å; V242-V245 PolarHBondContact O-N 3.31Å; V242-V246 WeakPolarHBondContact O-CG2 3.39Å; V242-V246 PolarHBondContact O-N 3.35Å; V242-V246 VanDerWaalsContact O-N 3.14Å
243K97.4Very high95.6Very high126 Ų12647.6 Ų47.655%0.54822%0.224SC..Hα-helixtrans-60.6-39.3174.4-73.1173.4-178.5178.80111.9S239 Q240 E247S239-K243 WeakPolarHBondContact O-CG 3.25Å; S239-K243 PolarHBondContact O-N 2.88Å; S239-K243 VanDerWaalsContact O-N 3.11Å; Q240-K243 WeakPolarHBondContact O-CB 3.35Å; Q240-K243 PolarHBondContact O-N 2.86Å; Q240-K243 VanDerWaalsContact O-N 3.12Å; K243-E247 WeakPolarHBondContact O-CB 3.47Å; K243-E247 PolarHBondContact O-N 3.3Å
244I98.5Very high96.1Very high0 Ų047.9 Ų47.90%022%0.223CC..Hα-helixtrans-63.2-48177.9-64.8172.6000110.9V107 A143 A144 I147 A149 V216 Q240 A241 V242 V246 E247 A248V107-I244 HydrophobicContact CB-CD1 4.21Å; V107-I244 HydrophobicContact CG1-CD1 3.79Å; V107-I244 HydrophobicContact CG2-CD1 3.58Å; A143-I244 HydrophobicContact CB-CG2 3.96Å; A143-I244 WeakPolarHBondContact CB-O 3.36Å; A144-I244 HydrophobicContact CB-CD1 3.79Å; A144-I244 HydrophobicContact CB-CG1 4.34Å; A144-I244 HydrophobicContact CB-CG2 4.13Å; I147-I244 HydrophobicContact CD1-CD1 3.77Å; I147-I244 HydrophobicContact CD1-CG1 3.3Å; I147-I244 HydrophobicContact CG1-CD1 4.32Å; I147-I244 HydrophobicContact CG1-CG1 3.92Å; A149-I244 HydrophobicContact CB-CD1 4.1Å; V216-I244 HydrophobicContact CG2-CG2 4.12Å; Q240-I244 WeakPolarHBondContact O-CG1 3.32Å; Q240-I244 PolarHBondContact O-N 3.17Å; Q240-I244 VanDerWaalsContact O-N 3.1Å; A241-I244 PolarHBondContact O-N 3.43Å; V242-I244 VanDerWaalsContact C-N 3.28Å; V242-I244 PolarHBondContact O-N 2.9Å; I244-V246 VanDerWaalsContact C-N 3.32Å; I244-V246 PolarHBondContact O-N 3.24Å; I244-E247 PolarHBondContact O-N 3.4Å; I244-A248 WeakPolarHBondContact O-CB 3.2Å; I244-A248 PolarHBondContact O-N 2.94Å
245V98.6Very high96.4Very high0 Ų047.5 Ų47.50%022%0.22CC..Hα-helixtrans-67.3-33.6-177.175.80000112.3I23 L90 I92 V216 A241 V242 A249I23-V245 HydrophobicContact CD1-CG1 4.36Å; I23-V245 HydrophobicContact CG1-CG2 4.3Å; I23-V245 HydrophobicContact CG2-CG1 3.97Å; I23-V245 HydrophobicContact CG2-CG2 3.88Å; L90-V245 HydrophobicContact CB-CG2 3.65Å; L90-V245 HydrophobicContact CD1-CG2 4.16Å; I92-V245 HydrophobicContact CB-CB 4.17Å; I92-V245 HydrophobicContact CB-CG1 3.99Å; I92-V245 HydrophobicContact CB-CG2 4.19Å; I92-V245 HydrophobicContact CG1-CG1 4.17Å; I92-V245 HydrophobicContact CG2-CG1 4.09Å; I92-V245 HydrophobicContact CG2-CG2 4.47Å; V216-V245 HydrophobicContact CG1-CB 4.03Å; V216-V245 HydrophobicContact CG1-CG2 4.3Å; A241-V245 PolarHBondContact O-N 3.06Å; V242-V245 VanDerWaalsContact O-CG1 3.3Å; V242-V245 WeakPolarHBondContact O-CG1 3.44Å; V242-V245 PolarHBondContact O-N 3.31Å; V245-A249 WeakPolarHBondContact O-CB 3.4Å; V245-A249 PolarHBondContact O-N 2.86Å
246V98.5Very high96.7Very high11 Ų1141.8 Ų41.87%0.06720%0.197CC..Hα-helixtrans-68.2-43.2174.5173.60000111.1I23 I34 L37 M38 L57 V242 I244 A249 R250I23-V246 HydrophobicContact CD1-CG2 4.31Å; I34-V246 HydrophobicContact CG2-CG2 4.23Å; L37-V246 HydrophobicContact CB-CG2 4.46Å; L37-V246 HydrophobicContact CD1-CG2 4.47Å; M38-V246 HydrophobicContact CG-CG1 4.11Å; L57-V246 HydrophobicContact CD1-CG1 4.18Å; L57-V246 HydrophobicContact CD2-CG1 3.94Å; V242-V246 WeakPolarHBondContact O-CG2 3.39Å; V242-V246 PolarHBondContact O-N 3.35Å; V242-V246 VanDerWaalsContact O-N 3.14Å; I244-V246 VanDerWaalsContact C-N 3.32Å; I244-V246 PolarHBondContact O-N 3.24Å; V246-A249 WeakPolarHBondContact O-CB 3.48Å; V246-A249 PolarHBondContact O-N 2.9Å; V246-R250 PolarHBondContact O-N 2.91Å
247E98.6Very high97.1Very high37 Ų3737.8 Ų37.817%0.17318%0.178CC..Hα-helixtrans-66.9-37.8176174.658.6-161.600112.1A143 K243 I244 R250 R251A143-E247 HydrophobicContact CB-CB 3.88Å; A143-E247 HydrophobicContact CB-CG 3.62Å; K243-E247 WeakPolarHBondContact O-CB 3.47Å; K243-E247 PolarHBondContact O-N 3.3Å; I244-E247 PolarHBondContact O-N 3.4Å; E247-R250 WeakPolarHBondContact O-CB 3.02Å; E247-R250 PolarHBondContact O-N 3.42Å; E247-R250 IonicContact OE2-CZ 2.72Å; E247-R250 IonicContact OE2-NH1 3.7Å; E247-R250 PolarHBondContact OE2-NH1 3.03Å; E247-R251 WeakPolarHBondContact O-CG 3.43Å; E247-R251 PolarHBondContact O-N 3.33Å; E247-R251 IonicContact OE1-CZ 3.93Å; E247-R251 VanDerWaalsContact OE1-CZ 3.31Å; E247-R251 IonicContact OE1-NE 3.48Å; E247-R251 PolarHBondContact OE1-NE 2.68Å; E247-R251 IonicContact OE1-NH2 3.84Å; E247-R251 PolarHBondContact OE1-NH2 2.83Å
248A98.8Very high97.3Very high0 Ų039.9 Ų39.90%019%0.187CC..Hα-helixtrans-65.5-39173.100000111.9L90 A139 L140 A143 I244 R250 R251 L252L90-A248 HydrophobicContact CD1-CB 4.28Å; A139-A248 HydrophobicContact CB-CB 4.21Å; L140-A248 HydrophobicContact CD2-CB 3.46Å; L140-A248 VanDerWaalsContact CD2-CB 3.46Å; L140-A248 HydrophobicContact CG-CB 4Å; A143-A248 HydrophobicContact CB-CB 4.07Å; I244-A248 WeakPolarHBondContact O-CB 3.2Å; I244-A248 PolarHBondContact O-N 2.94Å; A248-R250 VanDerWaalsContact C-N 3.35Å; A248-R251 PolarHBondContact O-N 2.86Å; A248-L252 WeakPolarHBondContact O-CD1 3.43Å; A248-L252 WeakPolarHBondContact O-CG 3.36Å; A248-L252 PolarHBondContact O-N 2.77Å
249A98.8Very high97.6Very high0 Ų040.1 Ų40.10%019%0.188CC..Hα-helixtrans-59.1-46.6172.900000110.9L21 I23 L57 L90 V245 V246 R251 L252 L253L21-A249 HydrophobicContact CD1-CB 4.28Å; L21-A249 HydrophobicContact CD2-CB 3.76Å; I23-A249 HydrophobicContact CD1-CB 4.07Å; I23-A249 HydrophobicContact CG1-CB 4.39Å; L57-A249 HydrophobicContact CD1-CB 3.8Å; L90-A249 HydrophobicContact CD1-CB 3.88Å; V245-A249 WeakPolarHBondContact O-CB 3.4Å; V245-A249 PolarHBondContact O-N 2.86Å; V246-A249 WeakPolarHBondContact O-CB 3.48Å; V246-A249 PolarHBondContact O-N 2.9Å; A249-R251 PolarHBondContact O-N 3.13Å; A249-L252 PolarHBondContact O-N 3.03Å; A249-L253 VanDerWaalsContact O-CG 3.31Å; A249-L253 WeakPolarHBondContact O-CG 3.48Å; A249-L253 PolarHBondContact O-N 3.12Å
250R98.5Very high97.9Very high100 Ų10038.1 Ų38.138%0.37717%0.168SC..Hα-helixtrans-53.8-41.3175.5-174.7-175.8-75.9138.7-2.5112.3D58 V246 E247 A248 L252D58-R250 IonicContact OD1-NE 2.72Å; D58-R250 PolarHBondContact OD1-NE 2.87Å; D58-R250 VanDerWaalsContact OD2-CD 3.31Å; D58-R250 WeakPolarHBondContact OD2-CD 3.43Å; D58-R250 VanDerWaalsContact OD2-CG 3.23Å; D58-R250 WeakPolarHBondContact OD2-CG 3.49Å; D58-R250 IonicContact OD2-NE 3.82Å; D58-R250 PolarHBondContact OD2-NE 3.37Å; V246-R250 PolarHBondContact O-N 2.91Å; E247-R250 WeakPolarHBondContact O-CB 3.02Å; E247-R250 PolarHBondContact O-N 3.42Å; E247-R250 IonicContact OE2-CZ 2.72Å; E247-R250 IonicContact OE2-NH1 3.7Å; E247-R250 PolarHBondContact OE2-NH1 3.03Å; A248-R250 VanDerWaalsContact C-N 3.35Å; R250-L252 VanDerWaalsContact C-N 3.28Å; R250-L252 PolarHBondContact O-N 3.16Å
251R98.5Very high98.1Very high104 Ų10436.8 Ų36.839%0.39216%0.161SC..Hα-helixtrans-69.7-20.4179.4-68.1169.6-175.5-93.1-15114.5A139 E142 E247 A248 A249A139-R251 HydrophobicContact CB-CB 4.09Å; E142-R251 IonicContact OE2-NH1 3.41Å; E142-R251 PolarHBondContact OE2-NH1 3.08Å; E247-R251 WeakPolarHBondContact O-CG 3.43Å; E247-R251 PolarHBondContact O-N 3.33Å; E247-R251 IonicContact OE1-CZ 3.93Å; E247-R251 VanDerWaalsContact OE1-CZ 3.31Å; E247-R251 IonicContact OE1-NE 3.48Å; E247-R251 PolarHBondContact OE1-NE 2.68Å; E247-R251 IonicContact OE1-NH2 3.84Å; E247-R251 PolarHBondContact OE1-NH2 2.83Å; A248-R251 PolarHBondContact O-N 2.86Å; A249-R251 PolarHBondContact O-N 3.13Å
252L98.6Very high98.2Very high23 Ų2339.8 Ų39.812%0.1217%0.174CC..Hα-helixtrans-102.2-3.9-174.8-70.5166.4000113.9L21 T88 L90 E135 C136 A139 R212 A248 A249 R250L21-L252 HydrophobicContact CD1-CB 3.73Å; L21-L252 HydrophobicContact CD1-CD1 4.42Å; T88-L252 HydrophobicContact CG2-CD1 4.2Å; L90-L252 HydrophobicContact CD1-CD1 4.02Å; L90-L252 HydrophobicContact CD2-CD1 3.78Å; L90-L252 HydrophobicContact CG-CD1 4.29Å; E135-L252 HydrophobicContact CB-CD2 4.13Å; C136-L252 HydrophobicContact CB-CD1 4.44Å; A139-L252 HydrophobicContact CB-CD1 3.97Å; A139-L252 HydrophobicContact CB-CD2 4.04Å; A139-L252 HydrophobicContact CB-CG 3.78Å; R212-L252 PolarHBondContact NH2-O 3.06Å; A248-L252 WeakPolarHBondContact O-CD1 3.43Å; A248-L252 WeakPolarHBondContact O-CG 3.36Å; A248-L252 PolarHBondContact O-N 2.77Å; A249-L252 PolarHBondContact O-N 3.03Å; R250-L252 VanDerWaalsContact C-N 3.28Å; R250-L252 PolarHBondContact O-N 3.16Å
253L97.1Very high98.4Very high68 Ų6842.6 Ų42.636%0.35619%0.185SC..  trans-88.20-178.6-75.2172.4000113L21 L57 K60 V62 A249L21-L253 HydrophobicContact CB-CD2 4.05Å; L21-L253 HydrophobicContact CD1-CD2 4.38Å; L21-L253 HydrophobicContact CD1-CG 4.47Å; L57-L253 HydrophobicContact CB-CD1 3.55Å; L57-L253 HydrophobicContact CD1-CD1 4.21Å; K60-L253 HydrophobicContact CB-CD1 4.25Å; K60-L253 HydrophobicContact CB-CD2 4.34Å; K60-L253 HydrophobicContact CD-CB 3.77Å; K60-L253 PolarHBondContact NZ-O 3.22Å; K60-L253 PolarHBondContact NZ-OXT 3.04Å; V62-L253 HydrophobicContact CG2-CD1 3.64Å; V62-L253 HydrophobicContact CG2-CD2 4Å; V62-L253 HydrophobicContact CG2-CG 4.35Å; A249-L253 VanDerWaalsContact O-CG 3.31Å; A249-L253 WeakPolarHBondContact O-CG 3.48Å; A249-L253 PolarHBondContact O-N 3.12Å

Retrieved 253 of 253 residues in 220.1 ms (Link to these results)

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