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Small nuclear ribonucleoprotein-associated protein N

May be involved in tissue-specific alternative RNA processing events.

AlphaFold DB , UniProt , Accession P63163, Species MOUSE (Mus musculus, Mouse), Gene Snrpn, Length 240 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
1M49.8Very low73.1Confident204 Ų204103.1 Ų103.1100%1.00556%0.556SS**  0131.60-65.2177.6-166.200107.6V3M1-V3 PolarHBondContact O-N 3.21Å; M1-V3 VanDerWaalsContact O-N 3.11Å
2T51.6Low74.9Confident99 Ų9999.1 Ų99.161%0.60753%0.531SS*.  trans-69.9109.3176.247.30000108.3G4 K5T2-G4 PolarHBondContact O-N 3.2Å; T2-K5 PolarHBondContact O-N 3.35Å
3V59.2Low76.4Confident129 Ų12995 Ų9578%0.78251%0.508SS*.Hα-helixtrans-53.7-27.2-166.5179.90000113M1M1-V3 PolarHBondContact O-N 3.21Å; M1-V3 VanDerWaalsContact O-N 3.11Å
4G62.1Low77.8Confident52 Ų5291.6 Ų91.654%0.53649%0.49SS..Hα-helixtrans-80.9-22.6179.400000117T2 S7T2-G4 PolarHBondContact O-N 3.2Å; G4-S7 PolarHBondContact O-OG 3.29Å
5K63Low79.1Confident163 Ų16391.4 Ų91.471%0.70948%0.48SS*.Hα-helixtrans-84.7-35.7177.9-67.8-173.7-178.2-175.50111.5T2T2-K5 PolarHBondContact O-N 3.35Å
6S71.9Confident80.2Confident27 Ų2791.1 Ų91.119%0.18947%0.471CS..Hα-helixtrans-63.3-43.3179.6-168.90000111.8K8 M9 L10S6-K8 PolarHBondContact O-N 3.05Å; S6-M9 PolarHBondContact O-N 3.11Å; S6-M9 VanDerWaalsContact O-N 3.15Å; S6-L10 VanDerWaalsContact O-CG 3.3Å; S6-L10 WeakPolarHBondContact O-CG 3.48Å; S6-L10 PolarHBondContact O-N 3.43Å
7S80.7Confident81.2Confident53 Ų5385.9 Ų85.937%0.37144%0.444SS..Hα-helixtrans-60-41.3-177.159.80000113.5G4 L10 Q11G4-S7 PolarHBondContact O-OG 3.29Å; S7-L10 PolarHBondContact O-N 2.88Å; S7-Q11 WeakPolarHBondContact O-CG 3.33Å; S7-Q11 PolarHBondContact O-N 3.21Å
8K88.7Confident82.2Confident146 Ų14685.5 Ų85.564%0.63544%0.436SS*.Hα-helixtrans-63.9-41.2177-67.6-172179.3-174.30111.9S6 Q11 H12S6-K8 PolarHBondContact O-N 3.05Å; K8-Q11 PolarHBondContact O-N 3.27Å; K8-H12 PolarHBondContact O-CE1 3Å; K8-H12 PolarHBondContact O-ND1 3.03Å
9M91.6Very high83Confident32 Ų3281 Ų8116%0.15841%0.413CS..Hα-helixtrans-70.9-38180-68.8-54.4-58.700112.3S6 Q11 H12 F31 F34 M38 M80S6-M9 PolarHBondContact O-N 3.11Å; S6-M9 VanDerWaalsContact O-N 3.15Å; M9-Q11 PolarHBondContact O-N 3.41Å; M9-H12 PolarHBondContact O-N 2.89Å; M9-F31 HydrophobicContact CE-CE1 3.77Å; M9-F31 HydrophobicContact CE-CE2 4.49Å; M9-F31 HydrophobicContact CE-CZ 3.54Å; M9-F34 HydrophobicContact CB-CD1 4.01Å; M9-F34 HydrophobicContact CB-CD2 4.14Å; M9-F34 HydrophobicContact CB-CE1 3.73Å; M9-F34 HydrophobicContact CB-CE2 3.86Å; M9-F34 HydrophobicContact CB-CG 4.22Å; M9-F34 HydrophobicContact CB-CZ 3.66Å; M9-F34 HydrophobicContact CG-CD2 4.42Å; M9-F34 HydrophobicContact CG-CE2 4.35Å; M9-M38 HydrophobicContact CE-CE 3.74Å; M9-M38 HydrophobicContact SD-CE 3.93Å; M9-M80 HydrophobicContact CE-CE 4.06Å; M9-M80 HydrophobicContact CE-SD 3.86Å
10L92.6Very high83.7Confident94 Ų9479.8 Ų79.849%0.49241%0.407SS..Hα-helixtrans-58-34176.8-72.5168.2000112.6S6 S7 H12 I13 F34S6-L10 VanDerWaalsContact O-CG 3.3Å; S6-L10 WeakPolarHBondContact O-CG 3.48Å; S6-L10 PolarHBondContact O-N 3.43Å; S7-L10 PolarHBondContact O-N 2.88Å; L10-H12 PolarHBondContact O-N 3.38Å; L10-I13 HydrophobicContact CD2-CD1 3.7Å; L10-I13 PolarHBondContact O-N 3.26Å; L10-F34 HydrophobicContact CD2-CE1 3.98Å; L10-F34 HydrophobicContact CD2-CZ 4.38Å; L10-F34 HydrophobicContact CG-CE1 4.18Å; L10-F34 HydrophobicContact CG-CZ 4.26Å
11Q93.2Very high84.3Confident135 Ų13576.7 Ų76.763%0.63139%0.391SS*.THydrogen-bonded Turntrans-64.7-21.3178.1-69.3168.74.700114S7 K8 M9S7-Q11 WeakPolarHBondContact O-CG 3.33Å; S7-Q11 PolarHBondContact O-N 3.21Å; K8-Q11 PolarHBondContact O-N 3.27Å; M9-Q11 PolarHBondContact O-N 3.41Å
12H94.4Very high86.5Confident55 Ų5573.3 Ų73.326%0.25537%0.373SS..THydrogen-bonded Turntrans-98.4-4.6-176.9-62.278.1000112.3K8 M9 L10 D14 Y15 M17 F31 V82K8-H12 PolarHBondContact O-CE1 3Å; K8-H12 PolarHBondContact O-ND1 3.03Å; M9-H12 PolarHBondContact O-N 2.89Å; L10-H12 PolarHBondContact O-N 3.38Å; H12-D14 PolarHBondContact O-N 2.97Å; H12-Y15 WeakPolarHBondContact O-CB 3.31Å; H12-Y15 PolarHBondContact O-N 3.05Å; H12-Y15 VanDerWaalsContact O-N 3.14Å; H12-M17 HydrophobicContact CB-CE 4.1Å; H12-M17 HydrophobicContact CB-SD 4.09Å; H12-F31 HydrophobicContact CB-CD1 4.14Å; H12-F31 HydrophobicContact CB-CE1 4.26Å; H12-F31 WeakPolarHBondContact O-CD1 3.15Å; H12-V82 VanDerWaalsContact CD2-CG2 3.49Å; H12-V82 WeakPolarHBondContact CD2-CG2 3.46Å
13I95Very high88.5Confident46 Ų4673 Ų7324%0.23637%0.368CS..THydrogen-bonded Turntrans-58.4141.1176.4-68.2-176.5000109.6L10 Y15 F31 F34L10-I13 HydrophobicContact CD2-CD1 3.7Å; L10-I13 PolarHBondContact O-N 3.26Å; I13-Y15 WeakPolarHBondContact O-CD2 3.11Å; I13-Y15 PolarHBondContact O-N 3.23Å; I13-Y15 VanDerWaalsContact O-N 3.17Å; I13-F31 HydrophobicContact CG1-CD1 4.47Å; I13-F31 HydrophobicContact CG1-CE1 4.13Å; I13-F34 HydrophobicContact CD1-CE1 4.29Å
14D95.5Very high90.1Very high48 Ų4868.8 Ų68.826%0.25735%0.35SS..THydrogen-bonded Turntrans68.7-8.6-174-59.9-51.1000116.1H12 T30 F31 K32 P86 P87 T90H12-D14 PolarHBondContact O-N 2.97Å; D14-T30 WeakPolarHBondContact O-CG2 3.22Å; D14-F31 WeakPolarHBondContact CA-O 3Å; D14-F31 PolarHBondContact N-O 3.35Å; D14-K32 VanDerWaalsContact OD1-CD 3.25Å; D14-K32 WeakPolarHBondContact OD1-CD 3.45Å; D14-K32 WeakPolarHBondContact OD1-CE 3.39Å; D14-K32 IonicContact OD1-NZ 2.88Å; D14-K32 PolarHBondContact OD1-NZ 3.08Å; D14-P86 HydrophobicContact CB-CB 3.98Å; D14-P86 HydrophobicContact CB-CG 4.29Å; D14-P86 WeakPolarHBondContact O-CA 3.36Å; D14-P86 WeakPolarHBondContact O-CB 3.41Å; D14-P87 WeakPolarHBondContact O-CD 3.05Å; D14-T90 HydrophobicContact CB-CG2 4.01Å; D14-T90 VanDerWaalsContact CG-CG2 3.48Å; D14-T90 WeakPolarHBondContact OD1-CG2 3.41Å
15Y97.1Very high91.7Very high88 Ų8870 Ų7035%0.34534%0.338SS..SBendtrans-70154.1172.8-76.2-107.4000111.3H12 I13 M17 F31 V82 P86H12-Y15 WeakPolarHBondContact O-CB 3.31Å; H12-Y15 PolarHBondContact O-N 3.05Å; H12-Y15 VanDerWaalsContact O-N 3.14Å; I13-Y15 WeakPolarHBondContact O-CD2 3.11Å; I13-Y15 PolarHBondContact O-N 3.23Å; I13-Y15 VanDerWaalsContact O-N 3.17Å; Y15-M17 PolarHBondContact O-N 3.25Å; Y15-F31 PolarHBondContact O-N 2.85Å; Y15-V82 HydrophobicContact CD1-CG1 3.7Å; Y15-V82 HydrophobicContact CE1-CG1 4.42Å; Y15-P86 HydrophobicContact CD1-CG 4.32Å; Y15-P86 HydrophobicContact CD2-CG 3.69Å; Y15-P86 HydrophobicContact CE1-CG 4.37Å; Y15-P86 HydrophobicContact CE2-CG 3.73Å; Y15-P86 HydrophobicContact CG-CG 3.99Å
16R97.1Very high93.4Very high86 Ų8662.9 Ų62.933%0.32531%0.308SS..EExtended strand (participates in β ladder)trans-78.3114.7167.1-162.6162.3-178-147.310.1108.2I28 G29 E83 G84R16-I28 HydrophobicContact CG-CG2 4.01Å; R16-G29 WeakPolarHBondContact CA-O 3.35Å; R16-E83 WeakPolarHBondContact CD-OE2 3.41Å; R16-E83 VanDerWaalsContact CG-OE2 3.25Å; R16-E83 WeakPolarHBondContact CG-OE2 3.49Å; R16-E83 IonicContact CZ-OE2 3.62Å; R16-E83 IonicContact NE-OE2 2.82Å; R16-E83 IonicContact NH1-OE1 3.31Å; R16-E83 IonicContact NH1-OE2 3.78Å; R16-E83 PolarHBondContact NH1-OE2 3.06Å; R16-E83 WeakPolarHBondContact O-CA 3.24Å; R16-E83 WeakPolarHBondContact O-CB 3.15Å; R16-E83 PolarHBondContact O-N 2.76Å; R16-G84 PolarHBondContact N-O 2.9Å; R16-G84 PolarHBondContact O-N 3.38Å; R16-G84 VanDerWaalsContact O-N 3.13Å
17M97.7Very high94.6Very high4 Ų462.5 Ų62.52%0.0230%0.303CS..EExtended strand (participates in β ladder)trans-109.8137.8-173.1-64.2-60.1-72.900110.3H12 Y15 I28 G29 F31 M80 T81 V82H12-M17 HydrophobicContact CB-CE 4.1Å; H12-M17 HydrophobicContact CB-SD 4.09Å; Y15-M17 PolarHBondContact O-N 3.25Å; M17-I28 WeakPolarHBondContact O-CA 3.49Å; M17-G29 PolarHBondContact N-O 3.33Å; M17-G29 PolarHBondContact O-N 3.41Å; M17-G29 VanDerWaalsContact O-N 3.1Å; M17-F31 HydrophobicContact CB-CB 4.04Å; M17-F31 HydrophobicContact CG-CB 3.37Å; M17-F31 HydrophobicContact CG-CD1 4.21Å; M17-F31 HydrophobicContact CG-CG 4.06Å; M17-M80 HydrophobicContact CB-CE 4.28Å; M17-M80 HydrophobicContact CE-CB 3.96Å; M17-M80 HydrophobicContact CE-CE 3.87Å; M17-M80 HydrophobicContact CG-CE 4.26Å; M17-T81 WeakPolarHBondContact CA-O 3.43Å; M17-V82 HydrophobicContact CE-CG2 4.39Å; M17-V82 HydrophobicContact SD-CB 4.42Å; M17-V82 HydrophobicContact SD-CG2 3.87Å
18R97.8Very high95.4Very high78 Ų7860.2 Ų60.229%0.29429%0.286SS..EExtended strand (participates in β ladder)trans-95.7115.1166.3175.2-172.4-62.9-92.1-3.5108.8I26 F27 I28 M80 T81 E83R18-I26 HydrophobicContact CG-CG2 3.51Å; R18-F27 CarbonylContact C-O 3.55Å; R18-F27 WeakPolarHBondContact CA-O 3.33Å; R18-I28 HydrophobicContact CB-CG1 4.3Å; R18-I28 HydrophobicContact CG-CG1 4.31Å; R18-M80 CarbonylContact O-C 3.46Å; R18-M80 VanDerWaalsContact O-CA 3.32Å; R18-M80 WeakPolarHBondContact O-CA 3.48Å; R18-T81 PolarHBondContact N-O 2.84Å; R18-T81 PolarHBondContact O-N 3.36Å; R18-E83 HydrophobicContact CB-CB 4.25Å
19C97.5Very high95.9Very high0 Ų053.3 Ų53.30%026%0.256CS..EExtended strand (participates in β ladder)trans-106.1127.2178.1-60.80000109.6I26 F27 L72 L77 S79C19-I26 CarbonylContact O-C 3.57Å; C19-I26 WeakPolarHBondContact O-CA 3.4Å; C19-F27 HydrophobicContact CB-CB 4.22Å; C19-F27 PolarHBondContact N-O 2.9Å; C19-F27 PolarHBondContact O-N 3.2Å; C19-L72 HydrophobicContact CB-CD2 4.31Å; C19-L77 HydrophobicContact CB-CD1 3.79Å; C19-S79 WeakPolarHBondContact CA-O 3.4Å
20I97.5Very high96.1Very high56 Ų5652 Ų5229%0.28725%0.25SS..EExtended strand (participates in β ladder)trans-101.6128.1175.9-56.2-178.3000108.4I26 V78 S79I20-I26 HydrophobicContact CG1-CG1 4.5Å; I20-V78 WeakPolarHBondContact O-CB 3.48Å; I20-V78 PolarHBondContact O-N 3.38Å; I20-S79 PolarHBondContact N-O 2.94Å
21L96.9Very high96.4Very high15 Ų1547.5 Ų47.58%0.07923%0.227CC..EExtended strand (participates in β ladder)trans-93.6161.1178.5-84.163.4000111.7D23 G24 R25 F27 L72 N76L21-D23 WeakPolarHBondContact CB-OD1 3.37Å; L21-D23 PolarHBondContact O-N 3.05Å; L21-G24 PolarHBondContact O-N 2.71Å; L21-R25 HydrophobicContact CB-CB 4.34Å; L21-R25 HydrophobicContact CD2-CB 4.47Å; L21-R25 PolarHBondContact N-O 2.98Å; L21-F27 HydrophobicContact CD1-CB 4.41Å; L21-F27 HydrophobicContact CD1-CD1 3.96Å; L21-F27 HydrophobicContact CD1-CE1 4.44Å; L21-F27 HydrophobicContact CD1-CG 4.13Å; L21-F27 HydrophobicContact CD2-CD1 4.26Å; L21-F27 HydrophobicContact CD2-CE1 3.91Å; L21-F27 HydrophobicContact CD2-CZ 4.19Å; L21-L72 HydrophobicContact CD1-CD1 4.03Å; L21-L72 HydrophobicContact CD1-CD2 3.84Å; L21-L72 HydrophobicContact CD2-CD1 3.88Å; L21-L72 HydrophobicContact CG-CD1 4.07Å; L21-N76 CarbonylContact C-O 3.55Å; L21-N76 WeakPolarHBondContact CA-O 3.46Å
22Q96.5Very high96.5Very high133 Ų13344.2 Ų44.262%0.62121%0.21SC*.THydrogen-bonded Turntrans-58.3-31.9179-74.6-176.1-13.100113.7G24 E75 N76 V78Q22-G24 PolarHBondContact O-N 3.18Å; Q22-E75 VanDerWaalsContact CD-O 3.3Å; Q22-E75 PolarHBondContact NE2-O 3.1Å; Q22-N76 PolarHBondContact N-O 3.37Å; Q22-V78 HydrophobicContact CB-CG2 4.28Å; Q22-V78 HydrophobicContact CG-CG2 3.73Å
23D93.7Very high96.5Very high94 Ų9443.6 Ų43.650%0.50322%0.215SC..THydrogen-bonded Turntrans-86.27.517971.6-15000113.5L21 R25L21-D23 WeakPolarHBondContact CB-OD1 3.37Å; L21-D23 PolarHBondContact O-N 3.05Å; D23-R25 WeakPolarHBondContact OD1-CB 3.35Å; D23-R25 WeakPolarHBondContact OD1-CD 3.34Å; D23-R25 VanDerWaalsContact OD1-CG 3.26Å; D23-R25 WeakPolarHBondContact OD1-CG 3.2Å; D23-R25 PolarHBondContact OD1-N 3.17Å; D23-R25 IonicContact OD1-NE 3.87Å; D23-R25 VanDerWaalsContact OD2-CD 3.23Å; D23-R25 WeakPolarHBondContact OD2-CD 3.5Å; D23-R25 IonicContact OD2-CZ 2.76Å; D23-R25 VanDerWaalsContact OD2-CZ 3.31Å; D23-R25 IonicContact OD2-NE 2.77Å; D23-R25 PolarHBondContact OD2-NE 2.95Å; D23-R25 IonicContact OD2-NH2 2.79Å; D23-R25 PolarHBondContact OD2-NH2 2.75Å
24G92.8Very high96.6Very high39 Ų3944.1 Ų44.140%0.40222%0.215SC..SBendtrans84.34176.800000114.8L21 Q22L21-G24 PolarHBondContact O-N 2.71Å; Q22-G24 PolarHBondContact O-N 3.18Å
25R95.3Very high96.5Very high77 Ų7745.3 Ų45.329%0.29122%0.222SC..  trans-70.8152.8170.6-61.7173.9-167.6-162.526.9110.8L21 D23 F27 E47 R49L21-R25 HydrophobicContact CB-CB 4.34Å; L21-R25 HydrophobicContact CD2-CB 4.47Å; L21-R25 PolarHBondContact N-O 2.98Å; D23-R25 WeakPolarHBondContact OD1-CB 3.35Å; D23-R25 WeakPolarHBondContact OD1-CD 3.34Å; D23-R25 VanDerWaalsContact OD1-CG 3.26Å; D23-R25 WeakPolarHBondContact OD1-CG 3.2Å; D23-R25 PolarHBondContact OD1-N 3.17Å; D23-R25 IonicContact OD1-NE 3.87Å; D23-R25 VanDerWaalsContact OD2-CD 3.23Å; D23-R25 WeakPolarHBondContact OD2-CD 3.5Å; D23-R25 IonicContact OD2-CZ 2.76Å; D23-R25 VanDerWaalsContact OD2-CZ 3.31Å; D23-R25 IonicContact OD2-NE 2.77Å; D23-R25 PolarHBondContact OD2-NE 2.95Å; D23-R25 IonicContact OD2-NH2 2.79Å; D23-R25 PolarHBondContact OD2-NH2 2.75Å; R25-F27 HydrophobicContact CB-CD1 4.4Å; R25-F27 HydrophobicContact CB-CE1 4.13Å; R25-E47 WeakPolarHBondContact CD-OE1 3.48Å; R25-E47 IonicContact CZ-OE1 3.81Å; R25-E47 IonicContact NE-OE1 3.32Å; R25-E47 IonicContact NH1-OE1 2.66Å; R25-E47 PolarHBondContact NH1-OE1 2.79Å; R25-R49 HydrophobicContact CG-CG 4.27Å
26I97.4Very high96.3Very high15 Ų1549.6 Ų49.68%0.07724%0.242CC..EExtended strand (participates in β ladder)trans-122.4123.4177.7-56.2173.8000108.5R18 C19 I20 I28 E47 F48R18-I26 HydrophobicContact CG-CG2 3.51Å; C19-I26 CarbonylContact O-C 3.57Å; C19-I26 WeakPolarHBondContact O-CA 3.4Å; I20-I26 HydrophobicContact CG1-CG1 4.5Å; I26-I28 HydrophobicContact CG2-CG1 4.1Å; I26-E47 CarbonylContact O-C 3.57Å; I26-E47 WeakPolarHBondContact O-CA 3.26Å; I26-F48 HydrophobicContact CB-CB 4.2Å; I26-F48 PolarHBondContact N-O 2.79Å; I26-F48 PolarHBondContact O-N 3.24Å
27F98.1Very high96.1Very high18 Ų1851.4 Ų51.48%0.07925%0.254CS..EExtended strand (participates in β ladder)trans-105.5129.1176.6-80.138.3000107.6R18 C19 L21 R25 L42 D46 E47 L67 V70R18-F27 CarbonylContact C-O 3.55Å; R18-F27 WeakPolarHBondContact CA-O 3.33Å; C19-F27 HydrophobicContact CB-CB 4.22Å; C19-F27 PolarHBondContact N-O 2.9Å; C19-F27 PolarHBondContact O-N 3.2Å; L21-F27 HydrophobicContact CD1-CB 4.41Å; L21-F27 HydrophobicContact CD1-CD1 3.96Å; L21-F27 HydrophobicContact CD1-CE1 4.44Å; L21-F27 HydrophobicContact CD1-CG 4.13Å; L21-F27 HydrophobicContact CD2-CD1 4.26Å; L21-F27 HydrophobicContact CD2-CE1 3.91Å; L21-F27 HydrophobicContact CD2-CZ 4.19Å; R25-F27 HydrophobicContact CB-CD1 4.4Å; R25-F27 HydrophobicContact CB-CE1 4.13Å; F27-L42 HydrophobicContact CB-CD1 4.07Å; F27-D46 CarbonylContact C-O 3.56Å; F27-D46 WeakPolarHBondContact CA-O 3.39Å; F27-E47 HydrophobicContact CD1-CB 4.2Å; F27-E47 HydrophobicContact CD1-CG 4.16Å; F27-E47 HydrophobicContact CE1-CB 3.92Å; F27-E47 HydrophobicContact CE1-CG 3.63Å; F27-E47 HydrophobicContact CZ-CB 4.39Å; F27-E47 HydrophobicContact CZ-CG 4.34Å; F27-L67 HydrophobicContact CD2-CD1 4.02Å; F27-L67 HydrophobicContact CE1-CD1 4.48Å; F27-L67 HydrophobicContact CE2-CD1 3.45Å; F27-L67 VanDerWaalsContact CE2-CD1 3.45Å; F27-L67 HydrophobicContact CZ-CD1 3.72Å; F27-V70 HydrophobicContact CD2-CG1 4.14Å; F27-V70 HydrophobicContact CE2-CG1 3.94Å
28I97.8Very high96Very high6 Ų654.3 Ų54.33%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-122.1116.8176.3-54.7-177.1000108.1R16 M17 R18 I26 C45 D46 F48 E83R16-I28 HydrophobicContact CG-CG2 4.01Å; M17-I28 WeakPolarHBondContact O-CA 3.49Å; R18-I28 HydrophobicContact CB-CG1 4.3Å; R18-I28 HydrophobicContact CG-CG1 4.31Å; I26-I28 HydrophobicContact CG2-CG1 4.1Å; I28-C45 CarbonylContact O-C 3.55Å; I28-C45 VanDerWaalsContact O-CA 3.31Å; I28-C45 WeakPolarHBondContact O-CA 3.17Å; I28-D46 PolarHBondContact N-O 2.93Å; I28-D46 PolarHBondContact O-N 3.33Å; I28-F48 HydrophobicContact CB-CE2 4.11Å; I28-F48 HydrophobicContact CD1-CD2 3.88Å; I28-F48 HydrophobicContact CD1-CE2 3.56Å; I28-F48 HydrophobicContact CD1-CZ 4.26Å; I28-F48 HydrophobicContact CG1-CD2 4Å; I28-F48 HydrophobicContact CG1-CE2 3.87Å; I28-E83 HydrophobicContact CD1-CG 4.48Å; I28-E83 HydrophobicContact CG2-CB 4.34Å; I28-E83 HydrophobicContact CG2-CG 4.04Å
29G97.7Very high95.9Very high0 Ų052.6 Ų52.60%027%0.265CS..EExtended strand (participates in β ladder)trans-160.2171.1-178.900000112.2R16 M17 F31 C43R16-G29 WeakPolarHBondContact CA-O 3.35Å; M17-G29 PolarHBondContact N-O 3.33Å; M17-G29 PolarHBondContact O-N 3.41Å; M17-G29 VanDerWaalsContact O-N 3.1Å; G29-F31 PolarHBondContact O-N 3.12Å; G29-C43 CarbonylContact C-O 3.58Å; G29-C43 WeakPolarHBondContact CA-O 3.25Å
30T97.4Very high95.9Very high5 Ų552.6 Ų52.63%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-77.7117.1176.9-52.10000109.3D14 K32 L42 C43 P87D14-T30 WeakPolarHBondContact O-CG2 3.22Å; T30-K32 HydrophobicContact CG2-CD 4.21Å; T30-K32 PolarHBondContact O-N 2.88Å; T30-L42 CarbonylContact O-C 3.47Å; T30-L42 WeakPolarHBondContact O-CA 3.49Å; T30-C43 PolarHBondContact N-O 2.82Å; T30-C43 PolarHBondContact O-N 2.76Å; T30-P87 HydrophobicContact CG2-CG 4.31Å
31F97.3Very high95.9Very high0 Ų052.3 Ų52.30%026%0.264CS..EExtended strand (participates in β ladder)trans-79.7113.2-176.2173.6-128.4000111.2M9 H12 I13 D14 Y15 M17 G29 A33 F34 L40 L42 M80M9-F31 HydrophobicContact CE-CE1 3.77Å; M9-F31 HydrophobicContact CE-CE2 4.49Å; M9-F31 HydrophobicContact CE-CZ 3.54Å; H12-F31 HydrophobicContact CB-CD1 4.14Å; H12-F31 HydrophobicContact CB-CE1 4.26Å; H12-F31 WeakPolarHBondContact O-CD1 3.15Å; I13-F31 HydrophobicContact CG1-CD1 4.47Å; I13-F31 HydrophobicContact CG1-CE1 4.13Å; D14-F31 WeakPolarHBondContact CA-O 3Å; D14-F31 PolarHBondContact N-O 3.35Å; Y15-F31 PolarHBondContact O-N 2.85Å; M17-F31 HydrophobicContact CB-CB 4.04Å; M17-F31 HydrophobicContact CG-CB 3.37Å; M17-F31 HydrophobicContact CG-CD1 4.21Å; M17-F31 HydrophobicContact CG-CG 4.06Å; G29-F31 PolarHBondContact O-N 3.12Å; F31-A33 WeakPolarHBondContact CE2-O 3.49Å; F31-F34 HydrophobicContact CE2-CB 3.89Å; F31-F34 HydrophobicContact CZ-CB 3.68Å; F31-F34 AromaticContact CZ-CD1 3.85Å; F31-F34 HydrophobicContact CZ-CD1 3.85Å; F31-F34 HydrophobicContact CZ-CG 4.08Å; F31-L40 HydrophobicContact CD2-CB 4.4Å; F31-L40 HydrophobicContact CE2-CB 4.24Å; F31-L40 HydrophobicContact CE2-CD2 3.7Å; F31-L40 HydrophobicContact CE2-CG 4.43Å; F31-L40 HydrophobicContact CZ-CD2 4.34Å; F31-L42 HydrophobicContact CB-CD2 4.14Å; F31-L42 HydrophobicContact CD2-CD2 4.4Å; F31-M80 HydrophobicContact CD1-CE 4.35Å; F31-M80 HydrophobicContact CD2-CE 4.17Å; F31-M80 HydrophobicContact CE1-CE 4.43Å; F31-M80 HydrophobicContact CE2-CE 4.23Å; F31-M80 HydrophobicContact CG-CE 4.23Å; F31-M80 HydrophobicContact CZ-CE 4.35Å
32K95.8Very high95.9Very high65 Ų6551.6 Ų51.628%0.28326%0.26SS..EExtended strand (participates in β ladder)trans-105.4-35.6-172.6-69.4-58.1-170.9174.70114.4D14 T30 I41 C43 T90D14-K32 VanDerWaalsContact OD1-CD 3.25Å; D14-K32 WeakPolarHBondContact OD1-CD 3.45Å; D14-K32 WeakPolarHBondContact OD1-CE 3.39Å; D14-K32 IonicContact OD1-NZ 2.88Å; D14-K32 PolarHBondContact OD1-NZ 3.08Å; T30-K32 HydrophobicContact CG2-CD 4.21Å; T30-K32 PolarHBondContact O-N 2.88Å; K32-I41 HydrophobicContact CB-CB 4.42Å; K32-I41 HydrophobicContact CB-CG2 4.21Å; K32-I41 PolarHBondContact N-O 2.97Å; K32-C43 HydrophobicContact CG-CB 4.27Å; K32-C43 VanDerWaalsContact CG-SG 3.57Å; K32-T90 VanDerWaalsContact NZ-CG2 3.29Å
33A95.8Very high95.9Very high42 Ų4246.9 Ų46.935%0.34724%0.241SC..EExtended strand (participates in β ladder)trans-153.1154.3-176.600000111.2F31 L40 I41F31-A33 WeakPolarHBondContact CE2-O 3.49Å; A33-L40 WeakPolarHBondContact O-CA 3.37Å; A33-I41 HydrophobicContact CB-CB 4.07Å; A33-I41 HydrophobicContact CB-CG1 3.87Å; A33-I41 PolarHBondContact O-N 2.89Å
34F95.7Very high96Very high57 Ų5745.6 Ų45.625%0.2523%0.234CC..EExtended strand (participates in β ladder)trans-136.8162.3170.268.2-74.9000111.8M9 L10 I13 F31 N39 L40M9-F34 HydrophobicContact CB-CD1 4.01Å; M9-F34 HydrophobicContact CB-CD2 4.14Å; M9-F34 HydrophobicContact CB-CE1 3.73Å; M9-F34 HydrophobicContact CB-CE2 3.86Å; M9-F34 HydrophobicContact CB-CG 4.22Å; M9-F34 HydrophobicContact CB-CZ 3.66Å; M9-F34 HydrophobicContact CG-CD2 4.42Å; M9-F34 HydrophobicContact CG-CE2 4.35Å; L10-F34 HydrophobicContact CD2-CE1 3.98Å; L10-F34 HydrophobicContact CD2-CZ 4.38Å; L10-F34 HydrophobicContact CG-CE1 4.18Å; L10-F34 HydrophobicContact CG-CZ 4.26Å; I13-F34 HydrophobicContact CD1-CE1 4.29Å; F31-F34 HydrophobicContact CE2-CB 3.89Å; F31-F34 HydrophobicContact CZ-CB 3.68Å; F31-F34 AromaticContact CZ-CD1 3.85Å; F31-F34 HydrophobicContact CZ-CD1 3.85Å; F31-F34 HydrophobicContact CZ-CG 4.08Å; F34-N39 VanDerWaalsContact CA-O 3.24Å; F34-N39 WeakPolarHBondContact CA-O 3.43Å; F34-L40 HydrophobicContact CB-CD2 4.17Å
35D93.8Very high96.2Very high74 Ų7443.8 Ų43.840%0.39622%0.215SC..  trans-120.2170.4175-177.425.1000111.3H37 M38 N39D35-H37 PolarHBondContact O-N 3.36Å; D35-H37 VanDerWaalsContact O-N 3.12Å; D35-H37 IonicContact OD2-CD2 2.96Å; D35-M38 PolarHBondContact O-N 3.26Å; D35-N39 HydrophobicContact CB-CB 4.12Å; D35-N39 PolarHBondContact N-O 3.48Å; D35-N39 VanDerWaalsContact N-O 3.13Å; D35-N39 PolarHBondContact OD2-ND2 3.2Å
36K92.8Very high96.4Very high178 Ų17840.7 Ų40.777%0.77421%0.205SC*.THydrogen-bonded Turntrans-50-32.1171.8-178.3-175174.3-169.50112.9M38K36-M38 VanDerWaalsContact C-N 3.34Å
37H93.7Very high96.4Very high124 Ų12440.3 Ų40.357%0.57420%0.203SC*.THydrogen-bonded Turntrans-88.34.8179.4-64.6-71.7000114.2D35 N39 G74D35-H37 PolarHBondContact O-N 3.36Å; D35-H37 VanDerWaalsContact O-N 3.12Å; D35-H37 IonicContact OD2-CD2 2.96Å; H37-N39 PolarHBondContact O-N 3.23Å; H37-G74 WeakPolarHBondContact O-CA 3.18Å
38M94.4Very high96.3Very high64 Ų6441.3 Ų41.332%0.31521%0.207SC..  trans62.425.8-170.3-59.6-64.7-63.800113.5M9 D35 K36 L40 G74 L77 M80M9-M38 HydrophobicContact CE-CE 3.74Å; M9-M38 HydrophobicContact SD-CE 3.93Å; D35-M38 PolarHBondContact O-N 3.26Å; K36-M38 VanDerWaalsContact C-N 3.34Å; M38-L40 HydrophobicContact CE-CD2 4.35Å; M38-L40 WeakPolarHBondContact O-CD2 3.31Å; M38-L40 WeakPolarHBondContact O-CG 3.47Å; M38-L40 PolarHBondContact O-N 2.98Å; M38-G74 VanDerWaalsContact C-CA 3.45Å; M38-G74 WeakPolarHBondContact O-CA 3.34Å; M38-L77 HydrophobicContact CB-CD2 4.26Å; M38-L77 HydrophobicContact CE-CD2 4.08Å; M38-M80 HydrophobicContact CE-SD 4.16Å
39N96.2Very high96.1Very high43 Ų4346.2 Ų46.223%0.2323%0.225CC..  trans-65.2127.6163.9-59.2-38.4000107.9F34 D35 H37 L72 R73 G74F34-N39 VanDerWaalsContact CA-O 3.24Å; F34-N39 WeakPolarHBondContact CA-O 3.43Å; D35-N39 HydrophobicContact CB-CB 4.12Å; D35-N39 PolarHBondContact N-O 3.48Å; D35-N39 VanDerWaalsContact N-O 3.13Å; D35-N39 PolarHBondContact OD2-ND2 3.2Å; H37-N39 PolarHBondContact O-N 3.23Å; N39-L72 CarbonylContact C-O 3.59Å; N39-L72 WeakPolarHBondContact CA-O 3.32Å; N39-R73 WeakPolarHBondContact OD1-CA 3.5Å; N39-G74 PolarHBondContact OD1-N 2.77Å
40L97.1Very high95.5Very high0 Ų051.2 Ų51.20%025%0.247CC..EExtended strand (participates in β ladder)trans-113.5143.5-174.5-46.4-178.7000110.6F31 A33 F34 M38 L71 L72 L77 M80F31-L40 HydrophobicContact CD2-CB 4.4Å; F31-L40 HydrophobicContact CE2-CB 4.24Å; F31-L40 HydrophobicContact CE2-CD2 3.7Å; F31-L40 HydrophobicContact CE2-CG 4.43Å; F31-L40 HydrophobicContact CZ-CD2 4.34Å; A33-L40 WeakPolarHBondContact O-CA 3.37Å; F34-L40 HydrophobicContact CB-CD2 4.17Å; M38-L40 HydrophobicContact CE-CD2 4.35Å; M38-L40 WeakPolarHBondContact O-CD2 3.31Å; M38-L40 WeakPolarHBondContact O-CG 3.47Å; M38-L40 PolarHBondContact O-N 2.98Å; L40-L71 CarbonylContact O-C 3.55Å; L40-L71 WeakPolarHBondContact O-CA 3.45Å; L40-L72 HydrophobicContact CB-CB 4.34Å; L40-L72 HydrophobicContact CD1-CD2 4.2Å; L40-L72 PolarHBondContact N-O 3Å; L40-L72 PolarHBondContact O-N 3.2Å; L40-L77 HydrophobicContact CD1-CD1 3.99Å; L40-L77 HydrophobicContact CD1-CD2 3.81Å; L40-L77 HydrophobicContact CD2-CD2 4.38Å; L40-L77 HydrophobicContact CG-CD2 4.25Å; L40-M80 HydrophobicContact CD1-CE 3.62Å; L40-M80 HydrophobicContact CD1-CG 4.25Å; L40-M80 HydrophobicContact CD1-SD 3.43Å; L40-M80 WeakPolarHBondContact CD1-SD 3.37Å; L40-M80 HydrophobicContact CD2-CE 4.31Å; L40-M80 HydrophobicContact CD2-SD 3.96Å; L40-M80 HydrophobicContact CG-SD 4.35Å
41I97.7Very high94.9Very high50 Ų5054.4 Ų54.426%0.25626%0.263SS..EExtended strand (participates in β ladder)trans-102.5119.8165-55.2-59000108.5K32 A33 L69 V70 L71K32-I41 HydrophobicContact CB-CB 4.42Å; K32-I41 HydrophobicContact CB-CG2 4.21Å; K32-I41 PolarHBondContact N-O 2.97Å; A33-I41 HydrophobicContact CB-CB 4.07Å; A33-I41 HydrophobicContact CB-CG1 3.87Å; A33-I41 PolarHBondContact O-N 2.89Å; I41-L69 HydrophobicContact CG2-CD1 3.93Å; I41-V70 WeakPolarHBondContact CA-O 3.33Å; I41-L71 HydrophobicContact CD1-CB 3.82Å; I41-L71 HydrophobicContact CD1-CD1 3.79Å; I41-L71 HydrophobicContact CD1-CG 3.68Å
42L97.7Very high94.1Very high0 Ų063.6 Ų63.60%030%0.303CS..EExtended strand (participates in β ladder)trans-115.6120.1176-60.5177.4000109.7F27 T30 F31 C45 V70F27-L42 HydrophobicContact CB-CD1 4.07Å; T30-L42 CarbonylContact O-C 3.47Å; T30-L42 WeakPolarHBondContact O-CA 3.49Å; F31-L42 HydrophobicContact CB-CD2 4.14Å; F31-L42 HydrophobicContact CD2-CD2 4.4Å; L42-C45 HydrophobicContact CB-CB 4.03Å; L42-V70 HydrophobicContact CB-CB 4.44Å; L42-V70 PolarHBondContact N-O 3.37Å; L42-V70 PolarHBondContact O-N 2.98Å
43C96.4Very high93.3Very high33 Ų3363.1 Ų63.122%0.22331%0.306CS..EExtended strand (participates in β ladder)trans-91.6150.6170.6-69.20000111G29 T30 K32 C45G29-C43 CarbonylContact C-O 3.58Å; G29-C43 WeakPolarHBondContact CA-O 3.25Å; T30-C43 PolarHBondContact N-O 2.82Å; T30-C43 PolarHBondContact O-N 2.76Å; K32-C43 HydrophobicContact CG-CB 4.27Å; K32-C43 VanDerWaalsContact CG-SG 3.57Å; C43-C45 PolarHBondContact O-N 2.77Å
44D95.9Very high92.6Very high68 Ų6871.2 Ų71.236%0.36433%0.334SS..EExtended strand (participates in β ladder)trans5042.3-179.1-57.3-34.1000112.9G68 R94D44-G68 PolarHBondContact N-O 2.79Å; D44-G68 VanDerWaalsContact N-O 3.13Å; D44-R94 IonicContact OD1-CZ 3.64Å; D44-R94 IonicContact OD1-NH1 3.82Å; D44-R94 PolarHBondContact OD1-NH1 3.39Å; D44-R94 IonicContact OD2-CZ 3.48Å; D44-R94 IonicContact OD2-NH1 3.16Å; D44-R94 PolarHBondContact OD2-NH1 2.81Å; D44-R94 IonicContact OD2-NH2 2.77Å; D44-R94 PolarHBondContact OD2-NH2 2.89Å
45C97.5Very high92Very high0 Ų073.8 Ų73.80%035%0.35CS..EExtended strand (participates in β ladder)trans-77.5132.4-173.6-168.90000111.6I28 L42 C43 L67 G68 V70I28-C45 CarbonylContact O-C 3.55Å; I28-C45 VanDerWaalsContact O-CA 3.31Å; I28-C45 WeakPolarHBondContact O-CA 3.17Å; L42-C45 HydrophobicContact CB-CB 4.03Å; C43-C45 PolarHBondContact O-N 2.77Å; C45-L67 HydrophobicContact CB-CB 4.47Å; C45-L67 WeakPolarHBondContact O-CA 3.37Å; C45-L67 WeakPolarHBondContact O-CB 3.35Å; C45-L67 PolarHBondContact O-N 3.11Å; C45-G68 WeakPolarHBondContact CB-O 3.46Å; C45-G68 PolarHBondContact N-O 3.13Å; C45-G68 PolarHBondContact O-N 2.9Å; C45-G68 VanDerWaalsContact O-N 3.11Å; C45-V70 HydrophobicContact CB-CB 4.17Å; C45-V70 HydrophobicContact CB-CG2 3.66Å
46D97.7Very high91.2Very high13 Ų1375.4 Ų75.47%0.0737%0.374CS..EExtended strand (participates in β ladder)trans-109.4137.4168.1-71.2-40000109.5F27 I28 F48 K64F27-D46 CarbonylContact C-O 3.56Å; F27-D46 WeakPolarHBondContact CA-O 3.39Å; I28-D46 PolarHBondContact N-O 2.93Å; I28-D46 PolarHBondContact O-N 3.33Å; D46-F48 HydrophobicContact CB-CD2 4.41Å; D46-F48 HydrophobicContact CB-CE2 3.66Å; D46-F48 HydrophobicContact CB-CZ 4.24Å; D46-K64 VanDerWaalsContact OD1-CE 3.22Å; D46-K64 WeakPolarHBondContact OD1-CE 3.43Å; D46-K64 IonicContact OD1-NZ 3.62Å; D46-K64 WeakPolarHBondContact OD2-CE 3.38Å; D46-K64 IonicContact OD2-NZ 2.75Å; D46-K64 PolarHBondContact OD2-NZ 2.85Å
47E97.3Very high90.6Very high7 Ų776.7 Ų76.73%0.03338%0.379CS..EExtended strand (participates in β ladder)trans-97.3132.8169.7172.6-177.7178.100109.8R25 I26 F27 R49 K64 R65 L67R25-E47 WeakPolarHBondContact CD-OE1 3.48Å; R25-E47 IonicContact CZ-OE1 3.81Å; R25-E47 IonicContact NE-OE1 3.32Å; R25-E47 IonicContact NH1-OE1 2.66Å; R25-E47 PolarHBondContact NH1-OE1 2.79Å; I26-E47 CarbonylContact O-C 3.57Å; I26-E47 WeakPolarHBondContact O-CA 3.26Å; F27-E47 HydrophobicContact CD1-CB 4.2Å; F27-E47 HydrophobicContact CD1-CG 4.16Å; F27-E47 HydrophobicContact CE1-CB 3.92Å; F27-E47 HydrophobicContact CE1-CG 3.63Å; F27-E47 HydrophobicContact CZ-CB 4.39Å; F27-E47 HydrophobicContact CZ-CG 4.34Å; E47-R49 HydrophobicContact CG-CG 4.06Å; E47-R49 WeakPolarHBondContact OE1-CD 3.23Å; E47-K64 CarbonylContact O-C 3.57Å; E47-K64 WeakPolarHBondContact O-CA 3.48Å; E47-R65 HydrophobicContact CB-CB 4.34Å; E47-R65 PolarHBondContact N-O 3.13Å; E47-R65 PolarHBondContact O-N 3.14Å; E47-L67 HydrophobicContact CB-CD1 3.89Å; E47-L67 HydrophobicContact CB-CG 4.14Å
48F96.3Very high89.6Confident39 Ų3976.7 Ų76.717%0.17138%0.38CS..EExtended strand (participates in β ladder)trans-117.2126.6173.2-63.7-98.6000109.4I26 I28 D46 E63 K64I26-F48 HydrophobicContact CB-CB 4.2Å; I26-F48 PolarHBondContact N-O 2.79Å; I26-F48 PolarHBondContact O-N 3.24Å; I28-F48 HydrophobicContact CB-CE2 4.11Å; I28-F48 HydrophobicContact CD1-CD2 3.88Å; I28-F48 HydrophobicContact CD1-CE2 3.56Å; I28-F48 HydrophobicContact CD1-CZ 4.26Å; I28-F48 HydrophobicContact CG1-CD2 4Å; I28-F48 HydrophobicContact CG1-CE2 3.87Å; D46-F48 HydrophobicContact CB-CD2 4.41Å; D46-F48 HydrophobicContact CB-CE2 3.66Å; D46-F48 HydrophobicContact CB-CZ 4.24Å; F48-E63 WeakPolarHBondContact CA-O 3.25Å; F48-K64 HydrophobicContact CD1-CB 4.38Å; F48-K64 HydrophobicContact CE1-CB 4.17Å; F48-K64 HydrophobicContact CE1-CD 4.26Å; F48-K64 HydrophobicContact CE1-CG 4.1Å; F48-K64 HydrophobicContact CZ-CD 4.22Å; F48-K64 HydrophobicContact CZ-CG 4.22Å
49R93.7Very high88.7Confident109 Ų10978.3 Ų78.341%0.41140%0.395SS..EExtended strand (participates in β ladder)trans-116.9126.5176.9-56.8-179.170.5-167.32.3109.3R25 E47 I51 E62 E63R25-R49 HydrophobicContact CG-CG 4.27Å; E47-R49 HydrophobicContact CG-CG 4.06Å; E47-R49 WeakPolarHBondContact OE1-CD 3.23Å; R49-I51 PolarHBondContact O-N 2.93Å; R49-E62 WeakPolarHBondContact O-CA 3.45Å; R49-E63 HydrophobicContact CB-CB 4.48Å; R49-E63 PolarHBondContact N-O 3.24Å; R49-E63 PolarHBondContact O-N 3.25Å
50K85.3Confident87.6Confident105 Ų10581.7 Ų81.746%0.45741%0.41SS..EExtended strand (participates in β ladder)trans-74.9115.2171.6-73.2170.8164.9-101.60109.3E60K50-E60 WeakPolarHBondContact CD-OE1 3.49Å; K50-E60 WeakPolarHBondContact CG-OE1 3.35Å; K50-E60 IonicContact NZ-OE1 2.67Å; K50-E60 PolarHBondContact NZ-OE1 2.88Å; K50-E60 IonicContact NZ-OE2 3.26Å
51I84.9Confident86.7Confident72 Ų7290.6 Ų90.637%0.36944%0.443SS..EExtended strand (participates in β ladder)trans-92.3115.6173.6-60.6-179.5000107.9R49 P53 R61 E63R49-I51 PolarHBondContact O-N 2.93Å; I51-P53 WeakPolarHBondContact O-CD 3.46Å; I51-R61 PolarHBondContact N-O 3.28Å; I51-E63 HydrophobicContact CD1-CB 3.74Å; I51-E63 HydrophobicContact CG1-CB 4.22Å
52K79.6Confident86.1Confident192 Ų19292.8 Ų92.884%0.83545%0.452SS*.  trans-61.4122.8171.5-68.6-176.5-178.9178.90108.6K54K52-K54 PolarHBondContact O-N 2.94Å
53P80.6Confident85.8Confident55 Ų5597.1 Ų97.136%0.35747%0.472SS..  trans-65.4135.1178.927.7-33.7000109.1I51 N55 Q58I51-P53 WeakPolarHBondContact O-CD 3.46Å; P53-N55 PolarHBondContact O-N 2.75Å; P53-Q58 HydrophobicContact CB-CB 3.98Å
54K81.2Confident85.7Confident213 Ų213101.2 Ų101.293%0.92649%0.487SS*.SBendtrans-64.4-26.3174.6-67.3-176178.4-178.20111.9K52K52-K54 PolarHBondContact O-N 2.94Å
55N82.6Confident85.7Confident110 Ų110105.4 Ų105.459%0.58850%0.497SS*.SBendtrans-122.2129.9178.2-70.719.5000110P53 K57 Q58P53-N55 PolarHBondContact O-N 2.75Å; N55-K57 PolarHBondContact O-N 3.25Å; N55-Q58 HydrophobicContact CB-CG 4.41Å; N55-Q58 PolarHBondContact O-N 2.85Å
56A76.3Confident85.7Confident109 Ų109110.6 Ų110.690%0.90153%0.528SS*.THydrogen-bonded Turntrans-60.1-12.3-178.100000115.4
57K80Confident85.7Confident204 Ų204112.9 Ų112.989%0.88754%0.54SS*.THydrogen-bonded Turntrans-88.5-8.8176.3-67.4-173.5179.4-178.30113.9N55N55-K57 PolarHBondContact O-N 3.25Å
58Q73.4Confident85.6Confident124 Ų124113.7 Ų113.758%0.57955%0.551SS**SBendtrans-90.2135.5179.2-70.1-67.6-18.600109.8P53 N55P53-Q58 HydrophobicContact CB-CB 3.98Å; N55-Q58 HydrophobicContact CB-CG 4.41Å; N55-Q58 PolarHBondContact O-N 2.85Å
59P74.5Confident85.6Confident98 Ų98118 Ų11864%0.63658%0.575SS**PPolyproline II helixtrans-59.7150.1177.126.3-33.5000110.7R61P59-R61 PolarHBondContact O-N 3.04Å; P59-R61 VanDerWaalsContact O-N 3.17Å
60E73.9Confident85.8Confident115 Ų115113.8 Ų113.854%0.53756%0.561SS.*PPolyproline II helixtrans-57.4120.9173.2-169.6177.8-179.400108.4K50K50-E60 WeakPolarHBondContact CD-OE1 3.49Å; K50-E60 WeakPolarHBondContact CG-OE1 3.35Å; K50-E60 IonicContact NZ-OE1 2.67Å; K50-E60 PolarHBondContact NZ-OE1 2.88Å; K50-E60 IonicContact NZ-OE2 3.26Å
61R79.2Confident86.4Confident187 Ų187114.7 Ų114.771%0.70657%0.57SS**EExtended strand (participates in β ladder)trans-101.7126.8-179.7-170.6174.9-178.6-177-0.2108.9I51 P59I51-R61 PolarHBondContact N-O 3.28Å; P59-R61 PolarHBondContact O-N 3.04Å; P59-R61 VanDerWaalsContact O-N 3.17Å
62E83.9Confident87Confident95 Ų95111.8 Ų111.844%0.44456%0.556SS.*EExtended strand (participates in β ladder)trans-94.1128.2168.4-62.9-171.716500109R49R49-E62 WeakPolarHBondContact O-CA 3.45Å
63E91Very high87.8Confident91 Ų91109.5 Ų109.543%0.42554%0.542SS..EExtended strand (participates in β ladder)trans-93.7123.6171.2-179.7179.8-162.300108.9F48 R49 I51F48-E63 WeakPolarHBondContact CA-O 3.25Å; R49-E63 HydrophobicContact CB-CB 4.48Å; R49-E63 PolarHBondContact N-O 3.24Å; R49-E63 PolarHBondContact O-N 3.25Å; I51-E63 HydrophobicContact CD1-CB 3.74Å; I51-E63 HydrophobicContact CG1-CB 4.22Å
64K94.5Very high88.6Confident120 Ų120107.4 Ų107.452%0.52253%0.53SS..EExtended strand (participates in β ladder)trans-97.9129.9176.9-179.3-178.2178.4171.30110.2D46 E47 F48D46-K64 VanDerWaalsContact OD1-CE 3.22Å; D46-K64 WeakPolarHBondContact OD1-CE 3.43Å; D46-K64 IonicContact OD1-NZ 3.62Å; D46-K64 WeakPolarHBondContact OD2-CE 3.38Å; D46-K64 IonicContact OD2-NZ 2.75Å; D46-K64 PolarHBondContact OD2-NZ 2.85Å; E47-K64 CarbonylContact O-C 3.57Å; E47-K64 WeakPolarHBondContact O-CA 3.48Å; F48-K64 HydrophobicContact CD1-CB 4.38Å; F48-K64 HydrophobicContact CE1-CB 4.17Å; F48-K64 HydrophobicContact CE1-CD 4.26Å; F48-K64 HydrophobicContact CE1-CG 4.1Å; F48-K64 HydrophobicContact CZ-CD 4.22Å; F48-K64 HydrophobicContact CZ-CG 4.22Å
65R96.4Very high89.3Confident156 Ų156102.2 Ų102.259%0.58951%0.509SS*.EExtended strand (participates in β ladder)trans-125.8127.4171-176.8-179.9-176.2171.92.6110.1E47 L67E47-R65 HydrophobicContact CB-CB 4.34Å; E47-R65 PolarHBondContact N-O 3.13Å; E47-R65 PolarHBondContact O-N 3.14Å; R65-L67 HydrophobicContact CG-CD2 4.23Å
66V97.3Very high90Very high108 Ų10899.9 Ų99.966%0.65550%0.496SS*.EExtended strand (participates in β ladder)trans-79.9129.2175.8-176.20000109.1
67L96.9Very high91Very high61 Ų6195.9 Ų95.932%0.31946%0.46SS..EExtended strand (participates in β ladder)trans-109.5-44.1178.5-57.8-179.4000112.2F27 C45 E47 R65 V70F27-L67 HydrophobicContact CD2-CD1 4.02Å; F27-L67 HydrophobicContact CE1-CD1 4.48Å; F27-L67 HydrophobicContact CE2-CD1 3.45Å; F27-L67 VanDerWaalsContact CE2-CD1 3.45Å; F27-L67 HydrophobicContact CZ-CD1 3.72Å; C45-L67 HydrophobicContact CB-CB 4.47Å; C45-L67 WeakPolarHBondContact O-CA 3.37Å; C45-L67 WeakPolarHBondContact O-CB 3.35Å; C45-L67 PolarHBondContact O-N 3.11Å; E47-L67 HydrophobicContact CB-CD1 3.89Å; E47-L67 HydrophobicContact CB-CG 4.14Å; R65-L67 HydrophobicContact CG-CD2 4.23Å; L67-V70 HydrophobicContact CB-CG2 3.58Å; L67-V70 HydrophobicContact CD1-CG2 3.75Å; L67-V70 HydrophobicContact CG-CG2 4.34Å
68G96.5Very high91.8Very high24 Ų2490.6 Ų90.625%0.24744%0.444CS..EExtended strand (participates in β ladder)trans92.8-119.1-174.800000112.3D44 C45D44-G68 PolarHBondContact N-O 2.79Å; D44-G68 VanDerWaalsContact N-O 3.13Å; C45-G68 WeakPolarHBondContact CB-O 3.46Å; C45-G68 PolarHBondContact N-O 3.13Å; C45-G68 PolarHBondContact O-N 2.9Å; C45-G68 VanDerWaalsContact O-N 3.11Å
69L97Very high92.8Very high130 Ų13087 Ų8768%0.68143%0.433SS*.EExtended strand (participates in β ladder)trans-86.1125.5177-179.465000110.6I41I41-L69 HydrophobicContact CG2-CD1 3.93Å
70V97.6Very high93.8Very high21 Ų2184.2 Ų84.213%0.12741%0.412CS..EExtended strand (participates in β ladder)trans-130130.7-176.31770000110.6F27 I41 L42 C45 L67F27-V70 HydrophobicContact CD2-CG1 4.14Å; F27-V70 HydrophobicContact CE2-CG1 3.94Å; I41-V70 WeakPolarHBondContact CA-O 3.33Å; L42-V70 HydrophobicContact CB-CB 4.44Å; L42-V70 PolarHBondContact N-O 3.37Å; L42-V70 PolarHBondContact O-N 2.98Å; C45-V70 HydrophobicContact CB-CB 4.17Å; C45-V70 HydrophobicContact CB-CG2 3.66Å; L67-V70 HydrophobicContact CB-CG2 3.58Å; L67-V70 HydrophobicContact CD1-CG2 3.75Å; L67-V70 HydrophobicContact CG-CG2 4.34Å
71L97.4Very high94.9Very high124 Ų12482 Ų8265%0.64941%0.406SS*.EExtended strand (participates in β ladder)trans-97.9108.7160.2-173.8159000108.2L40 I41L40-L71 CarbonylContact O-C 3.55Å; L40-L71 WeakPolarHBondContact O-CA 3.45Å; I41-L71 HydrophobicContact CD1-CB 3.82Å; I41-L71 HydrophobicContact CD1-CD1 3.79Å; I41-L71 HydrophobicContact CD1-CG 3.68Å
72L97.2Very high95.8Very high11 Ų1176.6 Ų76.66%0.05839%0.394CS..EExtended strand (participates in β ladder)trans-91.6127.9176.6-179.365.1000109.6C19 L21 N39 L40 L77C19-L72 HydrophobicContact CB-CD2 4.31Å; L21-L72 HydrophobicContact CD1-CD1 4.03Å; L21-L72 HydrophobicContact CD1-CD2 3.84Å; L21-L72 HydrophobicContact CD2-CD1 3.88Å; L21-L72 HydrophobicContact CG-CD1 4.07Å; N39-L72 CarbonylContact C-O 3.59Å; N39-L72 WeakPolarHBondContact CA-O 3.32Å; L40-L72 HydrophobicContact CB-CB 4.34Å; L40-L72 HydrophobicContact CD1-CD2 4.2Å; L40-L72 PolarHBondContact N-O 3Å; L40-L72 PolarHBondContact O-N 3.2Å; L72-L77 HydrophobicContact CD2-CD1 3.87Å
73R96.8Very high96.4Very high144 Ų14475.8 Ų75.854%0.54339%0.39SS..  trans-76.1128.5174.7-169.7166.9168.8143.1-11.8110.7N39 E75 N76N39-R73 WeakPolarHBondContact OD1-CA 3.5Å; R73-E75 WeakPolarHBondContact CD-OE1 3.47Å; R73-E75 HydrophobicContact CG-CG 3.95Å; R73-E75 IonicContact CZ-OE1 3.61Å; R73-E75 IonicContact CZ-OE2 2.88Å; R73-E75 VanDerWaalsContact CZ-OE2 3.32Å; R73-E75 IonicContact NE-OE1 3.87Å; R73-E75 PolarHBondContact NE-OE1 2.79Å; R73-E75 IonicContact NE-OE2 3.61Å; R73-E75 PolarHBondContact NE-OE2 3.44Å; R73-E75 IonicContact NH2-OE1 3.57Å; R73-E75 IonicContact NH2-OE2 3.64Å; R73-E75 PolarHBondContact NH2-OE2 2.79Å; R73-E75 PolarHBondContact O-N 3.43Å; R73-N76 PolarHBondContact O-N 3.13Å; R73-N76 VanDerWaalsContact O-N 3.14Å
74G96.4Very high96.7Very high10 Ų1072 Ų7210%0.10338%0.376CS..G310 helixtrans-66.4-20.1-170.900000115.4H37 M38 N39 N76 L77H37-G74 WeakPolarHBondContact O-CA 3.18Å; M38-G74 VanDerWaalsContact C-CA 3.45Å; M38-G74 WeakPolarHBondContact O-CA 3.34Å; N39-G74 PolarHBondContact OD1-N 2.77Å; G74-N76 PolarHBondContact O-N 2.81Å; G74-L77 WeakPolarHBondContact O-CB 3.47Å; G74-L77 PolarHBondContact O-N 2.86Å; G74-L77 VanDerWaalsContact O-N 3.17Å
75E97Very high96.8Very high105 Ų10571.2 Ų71.249%0.49138%0.383SS..G310 helixtrans-62.8-28.9174.477.4-163.7173.600112.7Q22 R73Q22-E75 VanDerWaalsContact CD-O 3.3Å; Q22-E75 PolarHBondContact NE2-O 3.1Å; R73-E75 WeakPolarHBondContact CD-OE1 3.47Å; R73-E75 HydrophobicContact CG-CG 3.95Å; R73-E75 IonicContact CZ-OE1 3.61Å; R73-E75 IonicContact CZ-OE2 2.88Å; R73-E75 VanDerWaalsContact CZ-OE2 3.32Å; R73-E75 IonicContact NE-OE1 3.87Å; R73-E75 PolarHBondContact NE-OE1 2.79Å; R73-E75 IonicContact NE-OE2 3.61Å; R73-E75 PolarHBondContact NE-OE2 3.44Å; R73-E75 IonicContact NH2-OE1 3.57Å; R73-E75 IonicContact NH2-OE2 3.64Å; R73-E75 PolarHBondContact NH2-OE2 2.79Å; R73-E75 PolarHBondContact O-N 3.43Å
76N96.9Very high96.7Very high60 Ų6066 Ų6632%0.32137%0.369SS..G310 helixtrans-88.8-6.8180-62.6-56000112.5L21 Q22 R73 G74L21-N76 CarbonylContact C-O 3.55Å; L21-N76 WeakPolarHBondContact CA-O 3.46Å; Q22-N76 PolarHBondContact N-O 3.37Å; R73-N76 PolarHBondContact O-N 3.13Å; R73-N76 VanDerWaalsContact O-N 3.14Å; G74-N76 PolarHBondContact O-N 2.81Å
77L96.9Very high96.3Very high26 Ų2663 Ų6314%0.13635%0.352CS..EExtended strand (participates in β ladder)trans-85.2126.9-176.4-176.573.5000110.4C19 M38 L40 L72 G74 M80C19-L77 HydrophobicContact CB-CD1 3.79Å; M38-L77 HydrophobicContact CB-CD2 4.26Å; M38-L77 HydrophobicContact CE-CD2 4.08Å; L40-L77 HydrophobicContact CD1-CD1 3.99Å; L40-L77 HydrophobicContact CD1-CD2 3.81Å; L40-L77 HydrophobicContact CD2-CD2 4.38Å; L40-L77 HydrophobicContact CG-CD2 4.25Å; L72-L77 HydrophobicContact CD2-CD1 3.87Å; G74-L77 WeakPolarHBondContact O-CB 3.47Å; G74-L77 PolarHBondContact O-N 2.86Å; G74-L77 VanDerWaalsContact O-N 3.17Å; L77-M80 HydrophobicContact CD1-CG 3.86Å; L77-M80 HydrophobicContact CD2-CG 3.92Å; L77-M80 HydrophobicContact CD2-SD 3.78Å; L77-M80 HydrophobicContact CG-CG 4.3Å
78V96.7Very high95.7Very high93 Ų9369.7 Ų69.756%0.56438%0.378SS*.EExtended strand (participates in β ladder)trans-97.5-51.2176.1177.80000110.7I20 Q22I20-V78 WeakPolarHBondContact O-CB 3.48Å; I20-V78 PolarHBondContact O-N 3.38Å; Q22-V78 HydrophobicContact CB-CG2 4.28Å; Q22-V78 HydrophobicContact CG-CG2 3.73Å
79S95.4Very high94.4Very high48 Ų4874 Ų7434%0.33640%0.396SS..EExtended strand (participates in β ladder)trans-153.9161.3-178.266.10000112.3C19 I20C19-S79 WeakPolarHBondContact CA-O 3.4Å; I20-S79 PolarHBondContact N-O 2.94Å
80M95.9Very high92.7Very high40 Ų4071.2 Ų71.220%0.19738%0.384CS..EExtended strand (participates in β ladder)trans-132.9140.3176.4-64177.26600109.9M9 M17 R18 F31 M38 L40 L77M9-M80 HydrophobicContact CE-CE 4.06Å; M9-M80 HydrophobicContact CE-SD 3.86Å; M17-M80 HydrophobicContact CB-CE 4.28Å; M17-M80 HydrophobicContact CE-CB 3.96Å; M17-M80 HydrophobicContact CE-CE 3.87Å; M17-M80 HydrophobicContact CG-CE 4.26Å; R18-M80 CarbonylContact O-C 3.46Å; R18-M80 VanDerWaalsContact O-CA 3.32Å; R18-M80 WeakPolarHBondContact O-CA 3.48Å; F31-M80 HydrophobicContact CD1-CE 4.35Å; F31-M80 HydrophobicContact CD2-CE 4.17Å; F31-M80 HydrophobicContact CE1-CE 4.43Å; F31-M80 HydrophobicContact CE2-CE 4.23Å; F31-M80 HydrophobicContact CG-CE 4.23Å; F31-M80 HydrophobicContact CZ-CE 4.35Å; M38-M80 HydrophobicContact CE-SD 4.16Å; L40-M80 HydrophobicContact CD1-CE 3.62Å; L40-M80 HydrophobicContact CD1-CG 4.25Å; L40-M80 HydrophobicContact CD1-SD 3.43Å; L40-M80 WeakPolarHBondContact CD1-SD 3.37Å; L40-M80 HydrophobicContact CD2-CE 4.31Å; L40-M80 HydrophobicContact CD2-SD 3.96Å; L40-M80 HydrophobicContact CG-SD 4.35Å; L77-M80 HydrophobicContact CD1-CG 3.86Å; L77-M80 HydrophobicContact CD2-CG 3.92Å; L77-M80 HydrophobicContact CD2-SD 3.78Å; L77-M80 HydrophobicContact CG-CG 4.3Å
81T97Very high90.9Very high68 Ų6873.8 Ų73.842%0.41742%0.415SS..EExtended strand (participates in β ladder)trans-139.3150.5176.351.80000110.1M17 R18 E83M17-T81 WeakPolarHBondContact CA-O 3.43Å; R18-T81 PolarHBondContact N-O 2.84Å; R18-T81 PolarHBondContact O-N 3.36Å; T81-E83 PolarHBondContact O-N 2.88Å
82V97.3Very high88.7Confident74 Ų7474.6 Ų74.645%0.44842%0.419SS..EExtended strand (participates in β ladder)trans-72.6124174.4179.80000108.7H12 Y15 M17H12-V82 VanDerWaalsContact CD2-CG2 3.49Å; H12-V82 WeakPolarHBondContact CD2-CG2 3.46Å; Y15-V82 HydrophobicContact CD1-CG1 3.7Å; Y15-V82 HydrophobicContact CE1-CG1 4.42Å; M17-V82 HydrophobicContact CE-CG2 4.39Å; M17-V82 HydrophobicContact SD-CB 4.42Å; M17-V82 HydrophobicContact SD-CG2 3.87Å
83E96.7Very high86.6Confident78 Ų7878 Ų7836%0.36445%0.448SS..EExtended strand (participates in β ladder)trans-98.3-38.1174.8-173.2-85.7170.500111.5R16 R18 I28 T81R16-E83 WeakPolarHBondContact CD-OE2 3.41Å; R16-E83 VanDerWaalsContact CG-OE2 3.25Å; R16-E83 WeakPolarHBondContact CG-OE2 3.49Å; R16-E83 IonicContact CZ-OE2 3.62Å; R16-E83 IonicContact NE-OE2 2.82Å; R16-E83 IonicContact NH1-OE1 3.31Å; R16-E83 IonicContact NH1-OE2 3.78Å; R16-E83 PolarHBondContact NH1-OE2 3.06Å; R16-E83 WeakPolarHBondContact O-CA 3.24Å; R16-E83 WeakPolarHBondContact O-CB 3.15Å; R16-E83 PolarHBondContact O-N 2.76Å; R18-E83 HydrophobicContact CB-CB 4.25Å; I28-E83 HydrophobicContact CD1-CG 4.48Å; I28-E83 HydrophobicContact CG2-CB 4.34Å; I28-E83 HydrophobicContact CG2-CG 4.04Å; T81-E83 PolarHBondContact O-N 2.88Å
84G96.4Very high84.9Confident12 Ų1279.4 Ų79.412%0.12445%0.453CS..EExtended strand (participates in β ladder)trans-159.1163.5-176.400000113.3R16R16-G84 PolarHBondContact N-O 2.9Å; R16-G84 PolarHBondContact O-N 3.38Å; R16-G84 VanDerWaalsContact O-N 3.13Å
85P96.1Very high83Confident103 Ų10384.1 Ų84.167%0.66948%0.48SS*.PPolyproline II helixtrans-67164.3179.331.1-36.3000111.4
86P94.3Very high80.8Confident46 Ų4684.7 Ų84.730%0.29949%0.493SS..PPolyproline II helixtrans-57.2132.7173.8-26.135.8000112.7D14 Y15D14-P86 HydrophobicContact CB-CB 3.98Å; D14-P86 HydrophobicContact CB-CG 4.29Å; D14-P86 WeakPolarHBondContact O-CA 3.36Å; D14-P86 WeakPolarHBondContact O-CB 3.41Å; Y15-P86 HydrophobicContact CD1-CG 4.32Å; Y15-P86 HydrophobicContact CD2-CG 3.69Å; Y15-P86 HydrophobicContact CE1-CG 4.37Å; Y15-P86 HydrophobicContact CE2-CG 3.73Å; Y15-P86 HydrophobicContact CG-CG 3.99Å
87P89.9Confident78.8Confident46 Ų4688 Ų8830%0.29951%0.51SS..PPolyproline II helixtrans-57.2141.7168.8-22.133000110.1D14 T30 D89 T90D14-P87 WeakPolarHBondContact O-CD 3.05Å; T30-P87 HydrophobicContact CG2-CG 4.31Å; P87-D89 PolarHBondContact O-N 3.3Å; P87-T90 PolarHBondContact O-OG1 2.88Å; P87-T90 VanDerWaalsContact O-OG1 3.13Å
88K83.3Confident76.5Confident201 Ų20191.7 Ų91.787%0.87454%0.544SS*.SBendtrans-67.7-17-177.9-61179.5-178.5178.90113.1T90K88-T90 VanDerWaalsContact C-N 3.29Å; K88-T90 PolarHBondContact O-N 3.26Å
89D70.3Confident74.6Confident114 Ų11489.9 Ų89.961%0.6154%0.544SS*.  trans-92.340-172.5-50.3-46.1000112.9P87 G91P87-D89 PolarHBondContact O-N 3.3Å; D89-G91 PolarHBondContact O-N 2.67Å
90T61.3Low72.9Confident72 Ų7291.2 Ų91.244%0.44256%0.558SS.*THydrogen-bonded Turntrans-69.62.8-170.4-13.60000115D14 K32 P87 K88D14-T90 HydrophobicContact CB-CG2 4.01Å; D14-T90 VanDerWaalsContact CG-CG2 3.48Å; D14-T90 WeakPolarHBondContact OD1-CG2 3.41Å; K32-T90 VanDerWaalsContact NZ-CG2 3.29Å; P87-T90 PolarHBondContact O-OG1 2.88Å; P87-T90 VanDerWaalsContact O-OG1 3.13Å; K88-T90 VanDerWaalsContact C-N 3.29Å; K88-T90 PolarHBondContact O-N 3.26Å
91G58.8Low71.1Confident75 Ų7593.4 Ų93.477%0.77358%0.582SS**THydrogen-bonded Turntrans-127.9-0.5-164.400000118D89D89-G91 PolarHBondContact O-N 2.67Å
92I51.6Low68.9Low141 Ų14193.7 Ų93.772%0.72360%0.599SS**  trans-123.8112.2-177.4-16.6176.3000109.2R94I92-R94 PolarHBondContact O-N 3.03Å
93A54.8Low67.1Low82 Ų8292 Ų9268%0.67860%0.596SS**  trans-51.2114167.700000107.8V95A93-V95 CarbonylContact O-C 3.56Å; A93-V95 PolarHBondContact O-N 2.66Å; A93-V95 VanDerWaalsContact O-O 3.06Å
94R59.8Low65.6Low173 Ų17395.2 Ų95.265%0.65362%0.624SS**SBendtrans-67.3-0.6176.8-64.5-165.6-167139.87.9113.2D44 I92 P96D44-R94 IonicContact OD1-CZ 3.64Å; D44-R94 IonicContact OD1-NH1 3.82Å; D44-R94 PolarHBondContact OD1-NH1 3.39Å; D44-R94 IonicContact OD2-CZ 3.48Å; D44-R94 IonicContact OD2-NH1 3.16Å; D44-R94 PolarHBondContact OD2-NH1 2.81Å; D44-R94 IonicContact OD2-NH2 2.77Å; D44-R94 PolarHBondContact OD2-NH2 2.89Å; I92-R94 PolarHBondContact O-N 3.03Å; R94-P96 VanDerWaalsContact O-CD 3.31Å; R94-P96 WeakPolarHBondContact O-CD 3.2Å
95V56.4Low64.1Low110 Ų11098.5 Ų98.567%0.66766%0.658SS**SBendtrans-80.2113.1162.8-173.40000105.7A93 L97A93-V95 CarbonylContact O-C 3.56Å; A93-V95 PolarHBondContact O-N 2.66Å; A93-V95 VanDerWaalsContact O-O 3.06Å; V95-L97 VanDerWaalsContact C-N 3.33Å; V95-L97 PolarHBondContact O-N 2.74Å
96P51.4Low62.5Low117 Ų11798.1 Ų98.176%0.7665%0.653SS**  trans-55.7108.9162.8-12.326.6000105.4R94 A98R94-P96 VanDerWaalsContact O-CD 3.31Å; R94-P96 WeakPolarHBondContact O-CD 3.2Å; P96-A98 VanDerWaalsContact C-N 3.3Å; P96-A98 PolarHBondContact O-N 3.49Å
97L54.2Low61Low130 Ų13099.3 Ų99.368%0.68167%0.674SS**  trans-59.4108.7163.6-177.372.7000103.9V95 G99 A100V95-L97 VanDerWaalsContact C-N 3.33Å; V95-L97 PolarHBondContact O-N 2.74Å; L97-G99 PolarHBondContact O-N 3.17Å; L97-A100 HydrophobicContact CB-CB 3.81Å; L97-A100 HydrophobicContact CD2-CB 4.1Å; L97-A100 HydrophobicContact CG-CB 4.36Å; L97-A100 PolarHBondContact O-N 2.91Å
98A49.2Very low59.6Low103 Ų103108.8 Ų108.885%0.85170%0.704SS**THydrogen-bonded Turntrans-54.1107.3173.300000106.7P96P96-A98 VanDerWaalsContact C-N 3.3Å; P96-A98 PolarHBondContact O-N 3.49Å
99G57Low58.7Low55 Ų55103.7 Ų103.757%0.56770%0.7SS**THydrogen-bonded Turntrans111.3-7.3-174.600000117.5L97L97-G99 PolarHBondContact O-N 3.17Å
100A60.4Low58.1Low76 Ų76103.3 Ų103.363%0.62871%0.712SS**THydrogen-bonded Turntrans-79.8-30.2176.100000113.7L97L97-A100 HydrophobicContact CB-CB 3.81Å; L97-A100 HydrophobicContact CD2-CB 4.1Å; L97-A100 HydrophobicContact CG-CB 4.36Å; L97-A100 PolarHBondContact O-N 2.91Å
101A57.4Low57.7Low85 Ų85103.3 Ų103.370%0.70273%0.727SS**SBendtrans-86.911416300000106.7G103A101-G103 PolarHBondContact O-N 3.14Å
102G50.5Low57.5Low74 Ų74111.9 Ų111.976%0.76374%0.735SS**  trans-60.481.417500000111
103G59.3Low57.3Low38 Ų38108.4 Ų108.439%0.39274%0.735SS.*  trans-75.1151.6170.400000109.9A101 G105 V106A101-G103 PolarHBondContact O-N 3.14Å; G103-G105 PolarHBondContact O-N 2.82Å; G103-V106 PolarHBondContact O-N 2.91Å
104P65.7Low57.3Low147 Ų147110.8 Ų110.896%0.95574%0.741SS**THydrogen-bonded Turntrans-50.9118168.3-22.932.8000109.7
105G63.9Low57Low80 Ų80107.7 Ų107.783%0.82574%0.743SS**THydrogen-bonded Turntrans122.1-1.4-176.700000116.4G103 G107G103-G105 PolarHBondContact O-N 2.82Å; G105-G107 PolarHBondContact O-N 2.9Å
106V64.1Low56.9Low95 Ų95107.6 Ų107.658%0.57675%0.754SS**  trans-67.7113.6172.1-179.80000110.3G103 R108G103-V106 PolarHBondContact O-N 2.91Å; V106-R108 PolarHBondContact O-N 2.88Å
107G62.4Low57Low72 Ų72105.7 Ų105.774%0.74276%0.755SS**  trans-64.5112.9175.100000111.2G105 A109G105-G107 PolarHBondContact O-N 2.9Å; G107-A109 PolarHBondContact O-N 2.88Å
108R59.8Low57Low244 Ų244105.3 Ų105.392%0.92176%0.758SS**  trans-65.7122.9162.9-102.7-176.3-176.7142.80.7107.9V106 A110V106-R108 PolarHBondContact O-N 2.88Å; R108-A110 PolarHBondContact O-N 2.84Å
109A64.2Low57.6Low95 Ų95106 Ų10679%0.78575%0.754SS**  trans-56127.5162.800000108.4G107 G111G107-A109 PolarHBondContact O-N 2.88Å; A109-G111 VanDerWaalsContact C-N 3.3Å; A109-G111 PolarHBondContact O-N 3.03Å
110A57.7Low57.6Low106 Ų106110.7 Ų110.788%0.87676%0.764SS**  trans-65.992.1174.600000108.7R108 R112R108-A110 PolarHBondContact O-N 2.84Å; A110-R112 PolarHBondContact O-N 3.42Å; A110-R112 VanDerWaalsContact O-N 3.14Å
111G53.5Low57.9Low72 Ų72112.6 Ų112.674%0.74277%0.77SS**  trans-61.4112.4173.800000109.6A109 G113A109-G111 VanDerWaalsContact C-N 3.3Å; A109-G111 PolarHBondContact O-N 3.03Å; G111-G113 PolarHBondContact O-N 3.25Å
112R53.6Low57.8Low254 Ų254117.9 Ų117.996%0.95878%0.78SS**SBendtrans-61.7115.2171.9-160.8171.9-167.6164.31.8108.7A110A110-R112 PolarHBondContact O-N 3.42Å; A110-R112 VanDerWaalsContact O-N 3.14Å
113G48.4Very low58.2Low69 Ų69118.6 Ų118.671%0.71178%0.779SS**  trans82.686.7159.100000116.4G111G111-G113 PolarHBondContact O-N 3.25Å
114V54.7Low58.1Low132 Ų132122.7 Ų122.780%0.880%0.798SS**PPolyproline II helixtrans-97.8121.6148.7-174.20000106.5A116V114-A116 PolarHBondContact O-N 2.83Å
115P53.8Low57.9Low107 Ų107121 Ų12170%0.69580%0.797SS**PPolyproline II helixtrans-67.4118.6166.426.5-28.4000108.3G117P115-G117 PolarHBondContact O-N 3.1Å
116A52.8Low57.8Low109 Ų109120.1 Ų120.190%0.90179%0.788SS**THydrogen-bonded Turntrans-59.6119.8163.900000108V114V114-A116 PolarHBondContact O-N 2.83Å
117G55Low57.7Low76 Ų76124.1 Ų124.178%0.78481%0.805SS**THydrogen-bonded Turntrans163.1-11.3174.100000117.9P115 P119P115-G117 PolarHBondContact O-N 3.1Å; G117-P119 WeakPolarHBondContact O-CD 3.4Å
118V54.4Low57.5Low122 Ų122125.1 Ų125.174%0.73981%0.807SS**PPolyproline II helixtrans-90.8120.2178.8-113.50000110.9I120V118-I120 PolarHBondContact O-N 3.42Å
119P60.8Low57.5Low118 Ų118116 Ų11677%0.76679%0.788SS**PPolyproline II helixtrans-69.7117.217329.2-31.2000108.3G117G117-P119 WeakPolarHBondContact O-CD 3.4Å
120I57.5Low57.6Low154 Ų154117.9 Ų117.979%0.7979%0.793SS**PPolyproline II helixtrans-75.5125.7175.1-58.1173.7000107.5V118 Q122V118-I120 PolarHBondContact O-N 3.42Å; I120-Q122 PolarHBondContact O-N 2.77Å
121P65.8Low57.7Low115 Ų115117.8 Ų117.875%0.74778%0.781SS**PPolyproline II helixtrans-59.8127.6170.7-18.130.2000109.7A123P121-A123 PolarHBondContact O-N 3.06Å; P121-A123 VanDerWaalsContact O-N 3.12Å
122Q56.4Low57.9Low197 Ų197126.3 Ų126.392%0.92179%0.79SS**PPolyproline II helixtrans-56.4117.3173.6-74.3173.6-59.200109.4I120I120-Q122 PolarHBondContact O-N 2.77Å
123A58.4Low58.4Low88 Ų88118 Ų11873%0.72778%0.784SS**PPolyproline II helixtrans-68.1146.4166.900000109.5P121 A125P121-A123 PolarHBondContact O-N 3.06Å; P121-A123 VanDerWaalsContact O-N 3.12Å; A123-A125 PolarHBondContact O-N 3.23Å
124P58Low59.3Low124 Ų124120.4 Ų120.481%0.80578%0.784SS**PPolyproline II helixtrans-57131.6-176.2-21.931.9000112.3G126P124-G126 PolarHBondContact O-N 3.4Å
125A60.5Low59.9Low113 Ų113118 Ų11893%0.93479%0.786SS**THydrogen-bonded Turntrans-63.496.5169.700000109.1A123A123-A125 PolarHBondContact O-N 3.23Å
126G62.7Low60.8Low61 Ų61115.8 Ų115.863%0.62978%0.783SS**THydrogen-bonded Turntrans-169.5-19.3-177.900000116.5P124P124-G126 PolarHBondContact O-N 3.4Å
127L61.7Low61.6Low178 Ų178114.6 Ų114.693%0.93277%0.766SS**  trans-11034.1173.4-95.377.7000112G129L127-G129 PolarHBondContact O-N 3.27Å
128A57Low62.1Low94 Ų94114.2 Ų114.278%0.77775%0.751SS**  trans-64.3109.9170.600000108.4
129G61.2Low62.9Low51 Ų51115.6 Ų115.653%0.52675%0.75SS.*  trans-58175.7169.400000112L127 V131L127-G129 PolarHBondContact O-N 3.27Å; G129-V131 PolarHBondContact O-N 2.93Å; G129-V131 VanDerWaalsContact O-N 3.08Å
130P66Low63.4Low136 Ų136118 Ų11888%0.88375%0.751SS**SBendtrans-47.9121.4-173.5-5.71.2000111R132P130-R132 PolarHBondContact O-N 3.38Å
131V58.5Low64.3Low103 Ų103115.8 Ų115.862%0.62474%0.744SS**  trans-58.2115.3-178.7178.60000108G129 G133 V134G129-V131 PolarHBondContact O-N 2.93Å; G129-V131 VanDerWaalsContact O-N 3.08Å; V131-G133 PolarHBondContact O-N 3.17Å; V131-V134 HydrophobicContact CB-CG2 4.29Å; V131-V134 HydrophobicContact CG1-CG2 3.93Å; V131-V134 PolarHBondContact O-N 2.85Å
132R58.1Low64.8Low252 Ų252116 Ų11695%0.95174%0.737SS**THydrogen-bonded Turntrans-56.4110.3174.5-167.6-178-156.9172.15.6108.2P130P130-R132 PolarHBondContact O-N 3.38Å
133G63.9Low65.6Low79 Ų79110.8 Ų110.881%0.81472%0.718SS**THydrogen-bonded Turntrans114.2-4.8175.600000116.3V131V131-G133 PolarHBondContact O-N 3.17Å
134V68Low66.3Low119 Ų119112.5 Ų112.572%0.72172%0.722SS**SBendtrans-111.4118.7175.4-172.20000109.6V131V131-V134 HydrophobicContact CB-CG2 4.29Å; V131-V134 HydrophobicContact CG1-CG2 3.93Å; V131-V134 PolarHBondContact O-N 2.85Å
135G67.5Low66.6Low82 Ų82115.7 Ų115.785%0.84573%0.726SS**SBendtrans94.35170.300000117.4
136G71.9Confident66.5Low61 Ų61114.2 Ų114.263%0.62972%0.722SS**PPolyproline II helixtrans-78.5148.3173.800000112.9
137P69.8Low65.8Low84 Ų84123 Ų12355%0.54574%0.736SS.*PPolyproline II helixtrans-57144.5176.323.1-31.6000111.1V141 M142P137-V141 HydrophobicContact CB-CB 4.38Å; P137-V141 HydrophobicContact CB-CG1 4.44Å; P137-M142 WeakPolarHBondContact O-CE 3.42Å
138S66.6Low65.1Low67 Ų67118 Ų11847%0.46973%0.728SS.*PPolyproline II helixtrans-58.3150.2-179.466.40000112.4Q140 V141S138-Q140 PolarHBondContact O-N 2.94Å; S138-V141 WeakPolarHBondContact O-CB 3.11Å; S138-V141 PolarHBondContact O-N 3.19Å
139Q70.2Confident64.5Low152 Ų152120.1 Ų120.171%0.7173%0.731SS**Hα-helixtrans-48.6-34.5177.6-79.4-94.513.600113.3V141 M142 T143Q139-V141 PolarHBondContact O-N 3.31Å; Q139-M142 PolarHBondContact O-N 3.14Å; Q139-M142 VanDerWaalsContact O-N 3.11Å; Q139-T143 PolarHBondContact O-N 3.13Å
140Q71.5Confident63.9Low168 Ų168125 Ų12579%0.78575%0.75SS**Hα-helixtrans-65.7-23.6178.8-71.9169.8-7.300113.6S138 T143S138-Q140 PolarHBondContact O-N 2.94Å; Q140-T143 PolarHBondContact O-OG1 3.39Å
141V76.7Confident62.8Low108 Ų108123 Ų12366%0.65575%0.746SS**Hα-helixtrans-86-18.9176.4-176.80000111.4P137 S138 Q139P137-V141 HydrophobicContact CB-CB 4.38Å; P137-V141 HydrophobicContact CB-CG1 4.44Å; S138-V141 WeakPolarHBondContact O-CB 3.11Å; S138-V141 PolarHBondContact O-N 3.19Å; Q139-V141 PolarHBondContact O-N 3.31Å
142M75.2Confident62Low119 Ų119122.8 Ų122.859%0.58676%0.755SS**Hα-helixtrans-91.2-8.2179.8-74.3-171-95.700114.1P137 Q139 P144P137-M142 WeakPolarHBondContact O-CE 3.42Å; Q139-M142 PolarHBondContact O-N 3.14Å; Q139-M142 VanDerWaalsContact O-N 3.11Å; M142-P144 WeakPolarHBondContact O-CD 3.45Å
143T74.7Confident61.3Low88 Ų88115.3 Ų115.354%0.5475%0.747SS.*SBendtrans-86.8115.9179.846.40000111.8Q139 Q140 Q145Q139-T143 PolarHBondContact O-N 3.13Å; Q140-T143 PolarHBondContact O-OG1 3.39Å; T143-Q145 PolarHBondContact O-N 2.85Å
144P72.9Confident60.3Low124 Ų124116.1 Ų116.181%0.80575%0.745SS**  trans-66.2119.8171.426-31.5000109.8M142 G146M142-P144 WeakPolarHBondContact O-CD 3.45Å; P144-G146 PolarHBondContact O-N 2.82Å
145Q64.4Low59.3Low190 Ų190116.9 Ų116.989%0.88875%0.75SS**  trans-72.4106.6169.8-75.8180-1900109.1T143 R147T143-Q145 PolarHBondContact O-N 2.85Å; Q145-R147 PolarHBondContact O-N 2.88Å
146G57.4Low58Low82 Ų82117.7 Ų117.785%0.84575%0.749SS**  trans-68.7116.8174.200000111.3P144P144-G146 PolarHBondContact O-N 2.82Å
147R49.6Very low56.8Low246 Ų246119.2 Ų119.293%0.92876%0.756SS**  trans-118.5126.8167.1-104-179.2171.9167.9-1.8108.9Q145Q145-R147 PolarHBondContact O-N 2.88Å
148G46.1Very low55.5Low73 Ų73122 Ų12275%0.75377%0.771SS**  trans93.794.3143.800000117.2
149T45.3Very low54.5Low139 Ų139123.7 Ų123.785%0.85379%0.789SS**  trans-34.5132.3154.650.30000116.3
150V47.9Very low53.2Low152 Ų152121.4 Ų121.492%0.92179%0.79SS**  trans-144.6138.2141.5-82.50000108.9
151A42Very low52.2Low96 Ų96121.6 Ų121.679%0.79380%0.795SS**  trans-94.8160.2-163.200000114
152A43Very low50.7Low98 Ų98121.2 Ų121.281%0.8180%0.803SS**  trans90.4141.1137.800000121.3
153A43.2Very low49.2Very low95 Ų95119 Ų11979%0.78581%0.811SS**  trans70.899.5161.400000116.4
154A43.1Very low48.3Very low95 Ų95119.4 Ų119.479%0.78582%0.823SS**  71.9139.360.100000115.2
155V45.6Very low47.2Very low136 Ų136119.6 Ų119.682%0.82482%0.824SS**  trans93102.8160.4-162.60000117.3
156A41.8Very low46.6Very low99 Ų99116.7 Ų116.782%0.81882%0.819SS**  trans-71.7138.3152.200000110.4
157A45.8Very low46.4Very low93 Ų93121.7 Ų121.777%0.76982%0.821SS**  trans-164.3129.3151.300000110.8
158T42.1Very low46.6Very low142 Ų142120.1 Ų120.187%0.87182%0.816SS**  trans-58140.9164.944.10000112.4
159A45.8Very low47.4Very low102 Ų102121.8 Ų121.884%0.84381%0.814SS**  trans-140.5107.1163.200000110.9
160S42.4Very low47.7Very low105 Ų105121.6 Ų121.673%0.73482%0.815SS**  trans-70.7152.4147.6-30.60000108.3
161I51.6Low47.9Very low172 Ų172118.1 Ų118.188%0.88281%0.81SS**  trans166.4127134.3-80.2151.1000108.9
162A45.5Very low48.4Very low99 Ų99125.1 Ų125.182%0.81882%0.816SS**  trans-69.8150.6168.400000111.9
163G44.4Very low48.5Very low74 Ų74124.3 Ų124.376%0.76382%0.816SS**  trans172101.6166.900000116.4
164A54.6Low49.2Very low96 Ų96126 Ų12679%0.79382%0.817SS**  trans70.4137.9145.900000121.6
165P49Very low50.4Low128 Ų128127 Ų12783%0.83182%0.816SS**  trans-91.3149.817536.7-30.7000111.5
166T53.5Low51.5Low128 Ų128126.1 Ų126.179%0.78581%0.813SS**  trans-125.6120.4167.6-48.60000109.5
167Q52.4Low52.8Low187 Ų187126.9 Ų126.987%0.87481%0.809SS**  trans-62.1140.9170.1-71.5165-63.500110.7
168Y54.3Low53.9Low213 Ų213128.3 Ų128.384%0.83581%0.811SS**  trans-116.8138.6155.7-95.5-91.6000109.5
169P62.1Low54.6Low109 Ų109128.9 Ų128.971%0.70881%0.814SS**  trans-78.6162.1-178.532.9-35000112.6G171P169-G171 PolarHBondContact O-N 3.01Å
170P52Low55Low135 Ų135127.2 Ų127.288%0.87781%0.807SS**  trans-79.6113.8-174.930.6-30.8000111.6
171G51.2Low55.4Low78 Ų78133.6 Ų133.680%0.80482%0.815SS**  trans-88.4112.617600000112.9P169P169-G171 PolarHBondContact O-N 3.01Å
172R52.8Low55.2Low244 Ų244130 Ų13092%0.92181%0.811SS**  trans6127.8149.7-112.1175-174-172.22.4118.5
173G46.3Very low55.9Low80 Ų80131.5 Ų131.583%0.82581%0.81SS**PPolyproline II helixtrans-63.5148.9178.300000115.6
174T58.3Low56.8Low131 Ų131133.3 Ų133.380%0.80481%0.808SS**PPolyproline II helixtrans-101.1137166.952.60000109.6
175P67.6Low57Low115 Ų115133.8 Ų133.875%0.74780%0.803SS**PPolyproline II helixtrans-71.1152.6172.330.2-31000110.6
176P68Low57.5Low118 Ų118134.4 Ų134.477%0.76681%0.807SS**PPolyproline II helixtrans-69.5147.2-178.929.7-33.6000111
177P69Low57.7Low115 Ų115132 Ų13275%0.74781%0.808SS**PPolyproline II helixtrans-68.5153.1176.229.2-33.4000111.2
178P69.1Low58Low124 Ų124130.6 Ų130.681%0.80581%0.805SS**PPolyproline II helixtrans-67.2145.5-177.927.9-32.6000111.2G180P178-G180 PolarHBondContact O-N 3.08Å
179V56.9Low58.1Low154 Ų154128.7 Ų128.793%0.93381%0.806SS**  trans-57.597.7178.11780000109.8
180G54.1Low58.1Low67 Ų67127.3 Ų127.369%0.69180%0.803SS**  trans-82.5122172.600000110.6P178 A182P178-G180 PolarHBondContact O-N 3.08Å; G180-A182 PolarHBondContact O-N 3.49Å
181R50.7Low58.9Low238 Ų238125.9 Ų125.990%0.89879%0.794SS**  trans-32.1122.7173-150.9171.5-171.5169.50.7113T183R181-T183 PolarHBondContact O-N 3.4Å
182A48Very low59.7Low98 Ų98126.2 Ų126.281%0.8178%0.782SS**  trans-52.9122176.200000111.8G180G180-A182 PolarHBondContact O-N 3.49Å
183T60Low60.5Low130 Ų130121.3 Ų121.380%0.79878%0.782SS**  trans-107.8119.5156.834.70000106.5R181R181-T183 PolarHBondContact O-N 3.4Å
184P62.7Low61.4Low111 Ų111121.2 Ų121.272%0.72178%0.781SS**PPolyproline II helixtrans-68.1144.8177.127.3-30.5000109.5
185P60.2Low61.7Low106 Ų106122.7 Ų122.769%0.68878%0.781SS**PPolyproline II helixtrans-60.3138.2179.324.7-31.9000110.2G187P185-G187 PolarHBondContact O-N 3.25Å
186P57.8Low61.4Low141 Ų141128.4 Ų128.492%0.91679%0.787SS**THydrogen-bonded Turntrans-62.8119.5172.6-14.427.3000108.8
187G57.9Low61.2Low77 Ų77128.1 Ų128.179%0.79479%0.785SS**THydrogen-bonded Turntrans160.1-8.7174.700000117.3P185P185-G187 PolarHBondContact O-N 3.25Å
188I58.8Low61Low159 Ų159128.7 Ų128.782%0.81579%0.789SS**  trans-10194.5174.8-47.7179.2000108.1A190I188-A190 PolarHBondContact O-N 3.34Å
189M56.5Low60.4Low173 Ų173131.6 Ų131.685%0.85279%0.794SS**  trans-52.2105.7167.1177.4170.9156.300108.6
190A62.7Low60.7Low79 Ų79126.8 Ų126.865%0.65378%0.775SS**PPolyproline II helixtrans-64.2133169.100000108.2I188I188-A190 PolarHBondContact O-N 3.34Å
191P68.7Low61.3Low105 Ų105129.4 Ų129.468%0.68278%0.78SS**PPolyproline II helixtrans-62.8141.917425.7-30.9000109.3
192P67.6Low61.6Low85 Ų85123.8 Ų123.855%0.55278%0.775SS**PPolyproline II helixtrans-55.8138.5-179.2-22.230.8000111.7G194P192-G194 PolarHBondContact O-N 3.47Å
193P69.1Low61.7Low142 Ų142127 Ų12792%0.92278%0.777SS**THydrogen-bonded Turntrans-57111.7170.8-21.732.4000109.9
194G66.3Low61.3Low78 Ų78124 Ų12480%0.80477%0.772SS**THydrogen-bonded Turntrans141.2-15.9178.700000115.9P192 R196P192-G194 PolarHBondContact O-N 3.47Å; G194-R196 PolarHBondContact O-N 2.97Å
195M63.8Low61Low162 Ų162126 Ų12680%0.79878%0.776SS**  trans-91.296.3173.9-81.9-175.9165.100110.9
196R62.1Low61.2Low235 Ų235126.4 Ų126.489%0.88778%0.778SS**PPolyproline II helixtrans-62.5127.9163.9-79.8175.5153.1-145.7-3.7108.7G194G194-R196 PolarHBondContact O-N 2.97Å
197P62.9Low60.7Low111 Ų111125.3 Ų125.372%0.72177%0.771SS**PPolyproline II helixtrans-61.4147168.224.6-30000109.4M199P197-M199 PolarHBondContact O-N 3.15Å
198P65.5Low60.4Low127 Ų127126.3 Ų126.383%0.82577%0.772SS**PPolyproline II helixtrans-59.3129.7-179.925.3-32.1000109.2G200P198-G200 PolarHBondContact O-N 2.92Å
199M56.8Low59.8Low185 Ų185130.6 Ų130.691%0.91178%0.778SS**PPolyproline II helixtrans-49.9119.5177.2-162.871.4-163.700109.2P197P197-M199 PolarHBondContact O-N 3.15Å
200G61.9Low59.3Low53 Ų53125.9 Ų125.955%0.54677%0.773SS.*PPolyproline II helixtrans-58.2150.7174.100000110.7P198P198-G200 PolarHBondContact O-N 2.92Å
201P66.8Low58.9Low122 Ų122128.6 Ų128.679%0.79278%0.782SS**PPolyproline II helixtrans-63.8147.1179.528.3-32000109.7
202P57Low58.2Low121 Ų121129.8 Ų129.879%0.78679%0.79SS**PPolyproline II helixtrans-65.1144.4-175.428.1-32.9000110.3G204P202-G204 PolarHBondContact O-N 3.12Å
203I51.2Low57.5Low166 Ų166134.1 Ų134.185%0.85181%0.806SS**  trans-44.8107.2165-66.7165.5000108.7L205I203-L205 HydrophobicContact CG2-CD1 4.38Å
204G50.5Low56.7Low67 Ų67130.6 Ų130.669%0.69180%0.796SS**  trans-12092.4173.900000109.3P202 P206P202-G204 PolarHBondContact O-N 3.12Å; G204-P206 WeakPolarHBondContact O-CD 3.3Å
205L56.8Low56.4Low153 Ų153135.6 Ų135.680%0.80180%0.801SS**  trans-60.7136.4161.6-106.974.8000109.4I203I203-L205 HydrophobicContact CG2-CD1 4.38Å
206P63.8Low56.5Low114 Ų114131.5 Ų131.574%0.7479%0.786SS**  trans-106.8135.2140.632.9-26.1000109.2G204G204-P206 WeakPolarHBondContact O-CD 3.3Å
207P48.9Very low56.5Low117 Ų117124.7 Ų124.776%0.7677%0.772SS**  trans-80.1159.5172.433.9-30.9000110.5
208A49.9Very low56.2Low99 Ų99126.1 Ų126.182%0.81878%0.782SS**  trans79.3114.5164.400000117
209R46.3Very low56Low249 Ų249124.1 Ų124.194%0.9478%0.784SS**  168.5108.190.5-170.2165.2-178.6150.5-2110.5
210G46.1Very low56.4Low74 Ų74122.3 Ų122.376%0.76378%0.775SS**  trans7794.515100000118
211T55Low56.6Low136 Ų136131.1 Ų131.183%0.83479%0.792SS**  trans-126.2126.1153.250.80000109.5
212P53.2Low56.4Low129 Ų129130.2 Ų130.284%0.83879%0.785SS**  trans-68.5144.1171.729.1-30.6000110.1
213I52.6Low56.9Low177 Ų177129.8 Ų129.891%0.90878%0.783SS**SBendtrans-56.4139.4-177.4-66159.7000111.4
214G52.9Low57.5Low68 Ų68126.8 Ų126.870%0.70177%0.774SS**  trans124.832.5133.900000121.4
215M60.8Low57.9Low183 Ų183130.3 Ų130.390%0.90179%0.785SS**  trans-121.1115.3165-154.4105.988.400111.9
216P64.9Low58Low76 Ų76126.7 Ų126.749%0.49478%0.784SS.*  trans-68.5148.1175.227.8-32.1000110.9
217P62Low57.9Low92 Ų92128.6 Ų128.660%0.59779%0.787SS**  trans-57.7147.3178.3-21.431000112.6G219 M220P217-G219 PolarHBondContact O-N 2.96Å; P217-M220 PolarHBondContact O-N 3.37Å
218P57Low58.2Low141 Ų141135 Ų13592%0.91680%0.796SS**THydrogen-bonded Turntrans-57112.2177.9-22.432.7000111.2
219G62.3Low58.8Low84 Ų84132.6 Ų132.687%0.86678%0.78SS**THydrogen-bonded Turntrans134.3-14.3-179.600000115P217P217-G219 PolarHBondContact O-N 2.96Å
220M64.8Low59.8Low147 Ų147126.6 Ų126.672%0.72477%0.773SS**  trans-102.2111.2173-77.2-172.1154.700110.9P217P217-M220 PolarHBondContact O-N 3.37Å
221R65.7Low60.7Low239 Ų239127.6 Ų127.690%0.90277%0.767SS**PPolyproline II helixtrans-70.6126.8174-152.5172.1177.9-124.61.1108.1
222P62.7Low61.1Low102 Ų102125.2 Ų125.266%0.66275%0.753SS**PPolyproline II helixtrans-62.2141.2178.123-30.4000110.1
223P66.5Low61.4Low112 Ų112125.7 Ų125.773%0.72776%0.757SS**PPolyproline II helixtrans-62.7151.4177.926.1-32.8000110.6
224P64.2Low62.1Low103 Ų103121.1 Ų121.167%0.66975%0.753SS**PPolyproline II helixtrans-55.6141179.8-2232.7000111.5G226P224-G226 PolarHBondContact O-N 3.24Å; P224-G226 VanDerWaalsContact O-N 3.08Å
225P59.1Low62.7Low141 Ų141124.8 Ų124.892%0.91675%0.754SS**THydrogen-bonded Turntrans-60.2114.9174-17.429.6000109.3
226G59.9Low62.9Low77 Ų77127 Ų12779%0.79475%0.752SS**THydrogen-bonded Turntrans146.7-11.3173.600000117.3P224P224-G226 PolarHBondContact O-N 3.24Å; P224-G226 VanDerWaalsContact O-N 3.08Å
227I59.9Low63.1Low155 Ų155128.6 Ų128.680%0.79576%0.763SS**  trans-111.485.9179-53.7-178.8000109.2G229I227-G229 PolarHBondContact O-N 3.04Å
228R56.3Low63.6Low252 Ų252130.2 Ų130.295%0.95177%0.773SS**  trans-68.894.3170.7-171.3174.9-171.5170.61.8107.7
229G63.2Low64.1Low47 Ų47134.4 Ų134.449%0.48577%0.771SS.*PPolyproline II helixtrans-56.2151.8170.200000110.8I227I227-G229 PolarHBondContact O-N 3.04Å
230P67.7Low64.4Low123 Ų123139.9 Ų139.980%0.79979%0.791SS**PPolyproline II helixtrans-58.5143.1-18025.4-33000109.9
231P63.1Low64.4Low96 Ų96139.5 Ų139.562%0.62379%0.794SS**PPolyproline II helixtrans-59.2145.8177.325.3-32.9000110.2
232P64.1Low64.3Low85 Ų85134.3 Ų134.355%0.55279%0.788SS**PPolyproline II helixtrans-57.3145.3177.921.2-30.6000111.2G234 M235P232-G234 PolarHBondContact O-N 3.11Å; P232-G234 VanDerWaalsContact O-N 3.1Å; P232-M235 HydrophobicContact CG-SD 4.44Å; P232-M235 PolarHBondContact O-N 2.96Å
233P59.7Low64.4Low140 Ų140136.1 Ų136.191%0.90980%0.795SS**THydrogen-bonded Turntrans-54.4118.6177.2-21.931.5000110.2
234G66.5Low64.3Low81 Ų81137.5 Ų137.584%0.83580%0.799SS**THydrogen-bonded Turntrans122.7-9.317800000116P232P232-G234 PolarHBondContact O-N 3.11Å; P232-G234 VanDerWaalsContact O-N 3.1Å
235M65.9Low64.3Low144 Ų144139.6 Ų139.671%0.70981%0.807SS**  trans-97.197.3173.3-76.7-171.8160.800111.3P232P232-M235 HydrophobicContact CG-SD 4.44Å; P232-M235 PolarHBondContact O-N 2.96Å
236R65.6Low64.7Low230 Ų230139.5 Ų139.587%0.86880%0.8SS**PPolyproline II helixtrans-76.5128.1164.4-79.7-177171.6-131.8-1.3109.1
237P69.7Low65Low110 Ų110144 Ų14471%0.71480%0.801SS**PPolyproline II helixtrans-68.2146.2170.927.3-31.4000110.5
238P70.6Confident65.4Low126 Ų126143.2 Ų143.282%0.81880%0.801SS**PPolyproline II helixtrans-65.4140.6172.827.8-31.3000109.9
239R69.6Low66.2Low229 Ų229134.1 Ų134.186%0.86479%0.789SS**PPolyproline II helixtrans-72.2153.4176.7-83.4-175.9-174.2-128.91.1110.8
240P68.2Low66.4Low198 Ų198142 Ų142100%1.28682%0.816SS**  trans-59.10-171.324.7-35.9000114.2

Retrieved 240 of 240 residues in 33.1 ms (Link to these results)

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