A0A5K4F2W2_SCHMA Loading...

tRNA-synt_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2W2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 183 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
1M65.8Low88.9Confident194 Ų194101.2 Ų101.296%0.95651%0.511SS*.  0-47.30-71.3-163.2-7700112.9R3 V4 E5M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.38Å; M1-R3 VanDerWaalsContact O-N 3.13Å; M1-V4 PolarHBondContact O-N 3.19Å; M1-E5 PolarHBondContact O-N 2.87Å
2A89Confident89.1Confident68 Ų68100.3 Ų100.356%0.56252%0.521SS*.Hα-helixtrans-46.5-46.1-179.400000115.2V4 E5 V6A2-V4 VanDerWaalsContact C-N 3.35Å; A2-V4 PolarHBondContact O-N 3.09Å; A2-E5 PolarHBondContact O-N 3.3Å; A2-V6 WeakPolarHBondContact O-CB 3.45Å; A2-V6 WeakPolarHBondContact O-CG2 3.48Å; A2-V6 PolarHBondContact O-N 2.83Å
3R91.8Very high89.4Confident211 Ų211104.8 Ų104.880%0.79653%0.534SS*.Hα-helixtrans-56.1-44.6178.4-173.5-171.972-156.81.3113.3M1 A7M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.38Å; M1-R3 VanDerWaalsContact O-N 3.13Å; R3-A7 VanDerWaalsContact O-CB 3.25Å; R3-A7 WeakPolarHBondContact O-CB 3.39Å; R3-A7 PolarHBondContact O-N 2.94Å
4V90.4Very high89.5Confident69 Ų69102.3 Ų102.342%0.41855%0.547SS..Hα-helixtrans-71.2-37.8-177.31770000110.6M1 A2 A7 K8M1-V4 PolarHBondContact O-N 3.19Å; A2-V4 VanDerWaalsContact C-N 3.35Å; A2-V4 PolarHBondContact O-N 3.09Å; V4-A7 PolarHBondContact O-N 3.44Å; V4-K8 HydrophobicContact CG1-CD 4.48Å; V4-K8 WeakPolarHBondContact O-CG 3.5Å; V4-K8 PolarHBondContact O-N 3.28Å
5E91.6Very high89.4Confident128 Ų128103.5 Ų103.560%0.59855%0.553SS**Hα-helixtrans-68.6-44.2175.9-68.2-177.9164.800112M1 A2 A7 K8 L9M1-E5 PolarHBondContact O-N 2.87Å; A2-E5 PolarHBondContact O-N 3.3Å; E5-A7 VanDerWaalsContact C-N 3.31Å; E5-A7 PolarHBondContact O-N 2.87Å; E5-K8 PolarHBondContact O-N 2.99Å; E5-L9 WeakPolarHBondContact O-CB 3.44Å; E5-L9 PolarHBondContact O-N 3.41Å
6V93.2Very high88.9Confident80 Ų80102.3 Ų102.349%0.48556%0.555SS.*Hα-helixtrans-59.7-43.9173.6170.50000110.3A2 K8 L9 I10A2-V6 WeakPolarHBondContact O-CB 3.45Å; A2-V6 WeakPolarHBondContact O-CG2 3.48Å; A2-V6 PolarHBondContact O-N 2.83Å; V6-K8 PolarHBondContact O-N 3.01Å; V6-L9 PolarHBondContact O-N 3.42Å; V6-I10 HydrophobicContact CG1-CD1 3.58Å; V6-I10 HydrophobicContact CG1-CG1 4.2Å; V6-I10 VanDerWaalsContact O-CG1 3.27Å; V6-I10 WeakPolarHBondContact O-CG1 3.41Å; V6-I10 PolarHBondContact O-N 2.88Å
7A91.1Very high88.8Confident7 Ų7101.6 Ų101.66%0.05855%0.55CS..Hα-helixtrans-57.1-48.417600000112.4R3 V4 E5 L9 I10 D11 I17 Y18R3-A7 VanDerWaalsContact O-CB 3.25Å; R3-A7 WeakPolarHBondContact O-CB 3.39Å; R3-A7 PolarHBondContact O-N 2.94Å; V4-A7 PolarHBondContact O-N 3.44Å; E5-A7 VanDerWaalsContact C-N 3.31Å; E5-A7 PolarHBondContact O-N 2.87Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 3.2Å; A7-I10 PolarHBondContact O-N 3.46Å; A7-D11 WeakPolarHBondContact O-CB 3.36Å; A7-D11 PolarHBondContact O-N 2.68Å; A7-I17 HydrophobicContact CB-CD1 3.53Å; A7-I17 HydrophobicContact CB-CG1 4.31Å; A7-Y18 HydrophobicContact CB-CE1 4.44Å; A7-Y18 VanDerWaalsContact CB-OH 3.32Å; A7-Y18 WeakPolarHBondContact CB-OH 3.44Å
8K89.8Confident88.6Confident133 Ų133102.4 Ų102.458%0.57854%0.544SS*.Hα-helixtrans-61.7-39.7175.6-71.9173.9-179.7-178.40112.3V4 E5 V6 S12V4-K8 HydrophobicContact CG1-CD 4.48Å; V4-K8 WeakPolarHBondContact O-CG 3.5Å; V4-K8 PolarHBondContact O-N 3.28Å; E5-K8 PolarHBondContact O-N 2.99Å; V6-K8 PolarHBondContact O-N 3.01Å; K8-S12 WeakPolarHBondContact O-CB 3.49Å; K8-S12 PolarHBondContact O-N 3.43Å
9L92.2Very high88.5Confident99 Ų99104.7 Ų104.752%0.51855%0.552SS.*Hα-helixtrans-67.8-42.6179.2-174.568.5000111.8E5 V6 A7 S12 K13E5-L9 WeakPolarHBondContact O-CB 3.44Å; E5-L9 PolarHBondContact O-N 3.41Å; V6-L9 PolarHBondContact O-N 3.42Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 3.2Å; L9-S12 PolarHBondContact O-N 2.94Å; L9-S12 PolarHBondContact O-OG 2.91Å; L9-K13 WeakPolarHBondContact O-CG 3.34Å; L9-K13 PolarHBondContact O-N 3.33Å
10I93.3Very high88.4Confident57 Ų57106.1 Ų106.129%0.29257%0.567SS.*Hα-helixtrans-66.2-44.7178-64.2170.1000110.1V6 A7 S12 K13 L15 I17V6-I10 HydrophobicContact CG1-CD1 3.58Å; V6-I10 HydrophobicContact CG1-CG1 4.2Å; V6-I10 VanDerWaalsContact O-CG1 3.27Å; V6-I10 WeakPolarHBondContact O-CG1 3.41Å; V6-I10 PolarHBondContact O-N 2.88Å; A7-I10 PolarHBondContact O-N 3.46Å; I10-S12 VanDerWaalsContact C-N 3.33Å; I10-S12 PolarHBondContact O-N 3.13Å; I10-K13 WeakPolarHBondContact O-CA 3.31Å; I10-K13 WeakPolarHBondContact O-CB 3.45Å; I10-K13 PolarHBondContact O-N 3.34Å; I10-L15 CarbonylContact C-O 3.46Å; I10-L15 HydrophobicContact CG2-CB 3.68Å; I10-L15 WeakPolarHBondContact CG2-O 3.38Å; I10-L15 PolarHBondContact O-N 3.33Å; I10-I17 HydrophobicContact CB-CG2 4.48Å; I10-I17 HydrophobicContact CG2-CG2 3.74Å
11D89.7Confident88.6Confident67 Ų67103 Ų10336%0.35856%0.56SS.*Hα-helixtrans-61.5-39.6176.4-165.864.2000111.7A7 K13 G14 L15 S16 Y18A7-D11 WeakPolarHBondContact O-CB 3.36Å; A7-D11 PolarHBondContact O-N 2.68Å; D11-K13 PolarHBondContact O-N 2.96Å; D11-K13 VanDerWaalsContact O-N 3.13Å; D11-G14 PolarHBondContact O-N 3.09Å; D11-L15 WeakPolarHBondContact CA-O 3.4Å; D11-S16 WeakPolarHBondContact OD1-CA 3.44Å; D11-S16 WeakPolarHBondContact OD1-CB 3.33Å; D11-S16 PolarHBondContact OD1-OG 3Å; D11-Y18 HydrophobicContact CB-CD2 4.47Å; D11-Y18 HydrophobicContact CB-CE2 4.08Å
12S91.3Very high90Very high90 Ų9098.6 Ų98.663%0.62954%0.536SS*.Hα-helixtrans-62.6-19.617477.60000114.5K8 L9 I10 G14K8-S12 WeakPolarHBondContact O-CB 3.49Å; K8-S12 PolarHBondContact O-N 3.43Å; L9-S12 PolarHBondContact O-N 2.94Å; L9-S12 PolarHBondContact O-OG 2.91Å; I10-S12 VanDerWaalsContact C-N 3.33Å; I10-S12 PolarHBondContact O-N 3.13Å; S12-G14 VanDerWaalsContact C-N 3.34Å
13K93.5Very high90.3Very high160 Ų16099.6 Ų99.670%0.69653%0.528SS*.THydrogen-bonded Turntrans-925.4175.4-68.5-176.4176.7-173.60112.8L9 I10 D11L9-K13 WeakPolarHBondContact O-CG 3.34Å; L9-K13 PolarHBondContact O-N 3.33Å; I10-K13 WeakPolarHBondContact O-CA 3.31Å; I10-K13 WeakPolarHBondContact O-CB 3.45Å; I10-K13 PolarHBondContact O-N 3.34Å; D11-K13 PolarHBondContact O-N 2.96Å; D11-K13 VanDerWaalsContact O-N 3.13Å
14G89.7Confident90.6Very high69 Ų6994.4 Ų94.471%0.71151%0.512SS*.THydrogen-bonded Turntrans85.48177.300000114.8D11 S12D11-G14 PolarHBondContact O-N 3.09Å; S12-G14 VanDerWaalsContact C-N 3.34Å
15L88Confident91Very high121 Ų12196.1 Ų96.163%0.63452%0.518SS*.  trans-100.696.6172.2-70.6169000108.1I10 D11 I17I10-L15 CarbonylContact C-O 3.46Å; I10-L15 HydrophobicContact CG2-CB 3.68Å; I10-L15 WeakPolarHBondContact CG2-O 3.38Å; I10-L15 PolarHBondContact O-N 3.33Å; D11-L15 WeakPolarHBondContact CA-O 3.4Å; L15-I17 PolarHBondContact O-N 3.31Å
16S82.1Confident91.3Very high84 Ų8496.8 Ų96.859%0.58752%0.515SS*.  trans-76.7118179-154.60000110.6D11D11-S16 WeakPolarHBondContact OD1-CA 3.44Å; D11-S16 WeakPolarHBondContact OD1-CB 3.33Å; D11-S16 PolarHBondContact OD1-OG 3Å
17I87.2Confident91.5Very high91 Ų9196.1 Ų96.147%0.46751%0.508SS..  trans-95.9-4.6174.366.2167.4000112.5A7 I10 L15A7-I17 HydrophobicContact CB-CD1 3.53Å; A7-I17 HydrophobicContact CB-CG1 4.31Å; I10-I17 HydrophobicContact CB-CG2 4.48Å; I10-I17 HydrophobicContact CG2-CG2 3.74Å; L15-I17 PolarHBondContact O-N 3.31Å
18Y85.8Confident91.7Very high115 Ų11599.9 Ų99.945%0.45153%0.527SS..SBendtrans-84.6114.5176.4-60.1-74.5000108.3A7 D11 P20A7-Y18 HydrophobicContact CB-CE1 4.44Å; A7-Y18 VanDerWaalsContact CB-OH 3.32Å; A7-Y18 WeakPolarHBondContact CB-OH 3.44Å; D11-Y18 HydrophobicContact CB-CD2 4.47Å; D11-Y18 HydrophobicContact CB-CE2 4.08Å; Y18-P20 WeakPolarHBondContact O-CD 3.47Å
19E85.5Confident91.9Very high147 Ų147100.5 Ų100.569%0.68753%0.532SS*.  trans-65.3128.1170.4-69.8-174.7178.200109.1H23E19-H23 PolarHBondContact O-CE1 2.83Å; E19-H23 IonicContact OE2-NE2 2.7Å
20P86.2Confident92.2Very high131 Ų13197.7 Ų97.785%0.85152%0.516SS*.SBendtrans-62.1139.3174.4-21.632.6000110.9Y18Y18-P20 WeakPolarHBondContact O-CD 3.47Å
21G92.6Very high92.3Very high41 Ų4197.8 Ų97.842%0.42352%0.521SS..SBendtrans128.3-166.8176.200000113.5N76G21-N76 PolarHBondContact O-ND2 3.37Å; G21-N76 PolarHBondContact O-OD1 2.96Å
22F96Very high92.7Very high102 Ų10295 Ų9545%0.44751%0.505SS..  trans-110.6109.2-178.5-53.8-60.1000110.2F24 I135 F136F22-F24 HydrophobicContact CB-CD2 4.19Å; F22-F24 HydrophobicContact CB-CE2 3.71Å; F22-I135 HydrophobicContact CD1-CG2 3.95Å; F22-I135 HydrophobicContact CE1-CG2 4.03Å; F22-F136 AromaticContact CD1-CD1 3.94Å; F22-F136 HydrophobicContact CD1-CD1 3.94Å; F22-F136 HydrophobicContact CD1-CE1 4.24Å; F22-F136 HydrophobicContact CD2-CD1 4.36Å; F22-F136 HydrophobicContact CD2-CE1 4.38Å; F22-F136 AromaticContact CE1-CD1 3.63Å; F22-F136 HydrophobicContact CE1-CD1 3.63Å; F22-F136 HydrophobicContact CE1-CE1 4.37Å; F22-F136 HydrophobicContact CE2-CD1 4.06Å; F22-F136 HydrophobicContact CE2-CE1 4.47Å; F22-F136 HydrophobicContact CG-CD1 4.31Å; F22-F136 HydrophobicContact CG-CE1 4.27Å; F22-F136 HydrophobicContact CZ-CB 4.28Å; F22-F136 AromaticContact CZ-CD1 3.7Å; F22-F136 HydrophobicContact CZ-CD1 3.7Å; F22-F136 HydrophobicContact CZ-CE1 4.48Å; F22-F136 HydrophobicContact CZ-CG 4.33Å
23H96.2Very high92.9Very high89 Ų8991 Ų9141%0.41248%0.477SS..  trans-101.596.9179.6-59.386.9000108.8E19 C75 N76E19-H23 PolarHBondContact O-CE1 2.83Å; E19-H23 IonicContact OE2-NE2 2.7Å; H23-C75 WeakPolarHBondContact O-CA 2.98Å; H23-N76 WeakPolarHBondContact CB-OD1 3.27Å; H23-N76 PolarHBondContact N-OD1 2.82Å; H23-N76 PolarHBondContact ND1-OD1 2.99Å; H23-N76 PolarHBondContact O-N 3.21Å
24F97.5Very high93Very high102 Ų10288 Ų8845%0.44747%0.465SS..EExtended strand (participates in β ladder)trans-84.9141.3177.2-72-84000111.6F22 L73 V74 C75 V80 L132 F136F22-F24 HydrophobicContact CB-CD2 4.19Å; F22-F24 HydrophobicContact CB-CE2 3.71Å; F24-L73 HydrophobicContact CB-CD1 4.46Å; F24-L73 HydrophobicContact CD1-CD1 3.89Å; F24-L73 HydrophobicContact CD1-CD2 4.28Å; F24-L73 HydrophobicContact CD1-CG 4.09Å; F24-L73 HydrophobicContact CE1-CD2 4.35Å; F24-V74 CarbonylContact C-O 3.54Å; F24-V74 VanDerWaalsContact CA-O 3.27Å; F24-V74 WeakPolarHBondContact CA-O 3.47Å; F24-C75 HydrophobicContact CD1-CB 3.71Å; F24-C75 HydrophobicContact CE1-CB 3.54Å; F24-C75 HydrophobicContact CG-CB 4.46Å; F24-C75 HydrophobicContact CZ-CB 4.15Å; F24-V80 HydrophobicContact CE1-CG2 4.24Å; F24-L132 HydrophobicContact CE1-CD1 4.36Å; F24-L132 HydrophobicContact CZ-CD1 4.37Å; F24-F136 HydrophobicContact CZ-CE1 4.02Å; F24-F136 HydrophobicContact CZ-CZ 4.28Å
25L97.7Very high93.3Very high106 Ų10690.5 Ų90.556%0.55546%0.456SS*.EExtended strand (participates in β ladder)trans-139135.4174.2177.366.9000109.4I27 V74L25-I27 HydrophobicContact CD2-CG1 4.27Å; L25-I27 HydrophobicContact CG-CG1 4.42Å; L25-V74 PolarHBondContact N-O 3.03Å; L25-V74 PolarHBondContact O-N 3.4Å
26W98.1Very high93.5Very high142 Ų14287.3 Ų87.354%0.53844%0.44SS..EExtended strand (participates in β ladder)trans-88.3126.6164.9-70.4104.8000109.5H71 D72 L73 I125W26-H71 HydrophobicContact CE3-CB 4.36Å; W26-H71 AromaticContact CZ3-CD2 3.77Å; W26-D72 WeakPolarHBondContact CA-O 3.32Å; W26-L73 HydrophobicContact CD2-CD1 3.95Å; W26-L73 HydrophobicContact CE3-CB 4.12Å; W26-L73 HydrophobicContact CE3-CD1 4.13Å; W26-L73 HydrophobicContact CH2-CB 4.05Å; W26-L73 HydrophobicContact CH2-CD1 4.06Å; W26-L73 HydrophobicContact CH2-CD2 4.34Å; W26-L73 HydrophobicContact CH2-CG 4.37Å; W26-L73 HydrophobicContact CZ2-CD1 3.86Å; W26-L73 HydrophobicContact CZ3-CB 3.71Å; W26-L73 HydrophobicContact CZ3-CD1 4.17Å; W26-L73 HydrophobicContact CZ3-CG 4.43Å; W26-I125 HydrophobicContact CH2-CD1 3.8Å; W26-I125 HydrophobicContact CZ3-CD1 3.87Å
27I97.4Very high94.1Very high65 Ų6591.7 Ų91.733%0.33346%0.457SS..EExtended strand (participates in β ladder)trans-102.8134166.7-49.6-174.3000107.1L25 F30 H71 D72 V74L25-I27 HydrophobicContact CD2-CG1 4.27Å; L25-I27 HydrophobicContact CG-CG1 4.42Å; I27-F30 HydrophobicContact CB-CE2 3.98Å; I27-F30 HydrophobicContact CB-CZ 3.75Å; I27-F30 HydrophobicContact CG2-CD2 4.47Å; I27-F30 HydrophobicContact CG2-CE1 3.91Å; I27-F30 HydrophobicContact CG2-CE2 3.59Å; I27-F30 HydrophobicContact CG2-CZ 3.26Å; I27-F30 WeakPolarHBondContact O-CE2 3.33Å; I27-H71 CarbonylContact O-C 3.15Å; I27-H71 VanDerWaalsContact O-CA 3.23Å; I27-H71 WeakPolarHBondContact O-CA 2.99Å; I27-D72 HydrophobicContact CB-CB 4.43Å; I27-D72 PolarHBondContact N-O 2.6Å; I27-D72 PolarHBondContact O-N 2.88Å; I27-V74 HydrophobicContact CD1-CG2 3.65Å; I27-V74 HydrophobicContact CG1-CG2 4.04Å
28N95.9Very high94.3Very high86 Ų8694.1 Ų94.146%0.4647%0.47SS..  trans-145.5-174.2179.160.735.4000109.5F30N28-F30 PolarHBondContact O-N 2.9Å
29Q95.1Very high94.6Very high146 Ų14690.6 Ų90.668%0.68247%0.469SS*.  trans59.642.5177.2-65.4175.771.900114.3I67Q29-I67 HydrophobicContact CB-CG2 4.09Å; Q29-I67 HydrophobicContact CG-CG2 4.4Å
30F96.6Very high95Very high41 Ų4188.9 Ų88.918%0.1846%0.461CS..EExtended strand (participates in β ladder)trans-84.5155.2175.7-63.7-104000111.7I27 N28 I67 G68 H70 D72I27-F30 HydrophobicContact CB-CE2 3.98Å; I27-F30 HydrophobicContact CB-CZ 3.75Å; I27-F30 HydrophobicContact CG2-CD2 4.47Å; I27-F30 HydrophobicContact CG2-CE1 3.91Å; I27-F30 HydrophobicContact CG2-CE2 3.59Å; I27-F30 HydrophobicContact CG2-CZ 3.26Å; I27-F30 WeakPolarHBondContact O-CE2 3.33Å; N28-F30 PolarHBondContact O-N 2.9Å; F30-I67 WeakPolarHBondContact O-CA 3.44Å; F30-G68 PolarHBondContact O-N 2.85Å; F30-H70 WeakPolarHBondContact CB-CE1 3.35Å; F30-H70 WeakPolarHBondContact CB-ND1 3.09Å; F30-H70 WeakPolarHBondContact CB-NE2 3.35Å; F30-H70 AromaticContact CD1-CE1 3.58Å; F30-H70 AromaticContact CD1-NE2 3.37Å; F30-H70 WeakPolarHBondContact CD1-NE2 3.46Å; F30-H70 AromaticContact CD2-CD2 3.37Å; F30-H70 WeakPolarHBondContact CD2-CD2 3.15Å; F30-H70 AromaticContact CD2-CE1 3.24Å; F30-H70 WeakPolarHBondContact CD2-CE1 3.23Å; F30-H70 AromaticContact CD2-CG 3.88Å; F30-H70 AromaticContact CD2-ND1 3.76Å; F30-H70 AromaticContact CD2-NE2 2.89Å; F30-H70 WeakPolarHBondContact CD2-NE2 3.13Å; F30-H70 AromaticContact CE1-NE2 3.59Å; F30-H70 AromaticContact CE2-CD2 3.45Å; F30-H70 VanDerWaalsContact CE2-CD2 3.45Å; F30-H70 WeakPolarHBondContact CE2-CD2 3.39Å; F30-H70 AromaticContact CE2-CE1 3.95Å; F30-H70 AromaticContact CE2-NE2 3.13Å; F30-H70 WeakPolarHBondContact CE2-NE2 2.89Å; F30-H70 AromaticContact CG-CD2 3.93Å; F30-H70 AromaticContact CG-CE1 2.98Å; F30-H70 WeakPolarHBondContact CG-CE1 3.26Å; F30-H70 AromaticContact CG-ND1 3.8Å; F30-H70 AromaticContact CG-NE2 2.99Å; F30-H70 WeakPolarHBondContact CG-NE2 3.12Å; F30-H70 AromaticContact CZ-NE2 3.46Å; F30-H70 WeakPolarHBondContact CZ-NE2 3.37Å; F30-D72 HydrophobicContact CZ-CB 4.23Å
31P96.8Very high95.4Very high59 Ų5985.5 Ų85.538%0.38343%0.431SS..EExtended strand (participates in β ladder)trans-59.6140.617025.1-32.4000110.9V44P31-V44 HydrophobicContact CB-CG2 4.4Å; P31-V44 HydrophobicContact CG-CG2 4.22Å; P31-V44 VanDerWaalsContact O-CG2 3.32Å; P31-V44 WeakPolarHBondContact O-CG2 3.5Å
32L96.7Very high95.5Very high8 Ų889.2 Ų89.24%0.04244%0.435CS..SBendtrans-78.6-36.2176.3-172.657.3000111.6V44 T49 A51 L59 V66L32-V44 PolarHBondContact O-N 3.29Å; L32-V44 VanDerWaalsContact O-N 3.12Å; L32-T49 HydrophobicContact CD1-CG2 3.58Å; L32-T49 WeakPolarHBondContact CD1-O 3.44Å; L32-A51 HydrophobicContact CD2-CB 4.01Å; L32-L59 HydrophobicContact CD2-CD2 4.33Å; L32-V66 HydrophobicContact CB-CB 4.22Å; L32-V66 HydrophobicContact CB-CG1 3.89Å; L32-V66 HydrophobicContact CD2-CG1 3.63Å; L32-V66 HydrophobicContact CG-CG1 4.41Å; L32-V66 PolarHBondContact N-O 3.44Å
33F96.9Very high95.4Very high7 Ų785 Ų853%0.03142%0.419CS..EExtended strand (participates in β ladder)trans-127.5147.5-179.3-52.5-74.8000111.8W41 K42 L59 P63 V66 I96 I100 L101F33-W41 HydrophobicContact CB-CD2 4.47Å; F33-W41 HydrophobicContact CB-CE3 3.74Å; F33-W41 HydrophobicContact CB-CZ3 4.29Å; F33-K42 CarbonylContact C-O 3.56Å; F33-K42 VanDerWaalsContact CA-O 3.26Å; F33-K42 WeakPolarHBondContact CA-O 3.39Å; F33-L59 HydrophobicContact CE2-CD2 3.65Å; F33-L59 HydrophobicContact CZ-CD2 4.15Å; F33-P63 HydrophobicContact CD2-CB 3.95Å; F33-V66 HydrophobicContact CD2-CB 4.47Å; F33-I96 HydrophobicContact CE1-CG2 3.92Å; F33-I96 HydrophobicContact CZ-CG1 4.23Å; F33-I96 HydrophobicContact CZ-CG2 3.83Å; F33-I100 HydrophobicContact CD1-CG2 3.91Å; F33-I100 HydrophobicContact CD2-CG2 4.28Å; F33-I100 HydrophobicContact CE1-CG2 3.85Å; F33-I100 HydrophobicContact CE2-CD1 3.89Å; F33-I100 HydrophobicContact CE2-CG2 4.22Å; F33-I100 HydrophobicContact CG-CG2 4.12Å; F33-I100 HydrophobicContact CZ-CD1 3.91Å; F33-I100 HydrophobicContact CZ-CG2 4.02Å; F33-L101 HydrophobicContact CD1-CD2 3.88Å; F33-L101 HydrophobicContact CE1-CD2 3.88Å; F33-L101 HydrophobicContact CE1-CG 4.26Å
34E95.4Very high95.3Very high96 Ų9682.8 Ų82.845%0.44941%0.412SS..EExtended strand (participates in β ladder)trans-129.9157.9168.364.4178-165.900109.9W41 K42 V44E34-W41 CarbonylContact O-C 3.56Å; E34-W41 WeakPolarHBondContact O-CA 3.36Å; E34-K42 PolarHBondContact N-O 2.92Å; E34-K42 PolarHBondContact O-N 3.16Å; E34-V44 HydrophobicContact CB-CG2 3.98Å; E34-V44 HydrophobicContact CG-CG2 3.96Å
35K95.1Very high94.8Very high121 Ų12181.7 Ų81.753%0.52641%0.408SS..EExtended strand (participates in β ladder)trans-88.3133.3172.3-74.8-173.6174.7-176.40110.2G39 Q40 W41K35-G39 WeakPolarHBondContact CD-O 3.25Å; K35-Q40 CarbonylContact C-O 3.51Å; K35-Q40 VanDerWaalsContact CA-O 3.28Å; K35-Q40 WeakPolarHBondContact CA-O 3.21Å; K35-W41 HydrophobicContact CD-CH2 4.29Å; K35-W41 HydrophobicContact CD-CZ2 4.46Å; K35-W41 HydrophobicContact CD-CZ3 4.49Å; K35-W41 VanDerWaalsContact CE-CZ2 3.41Å; K35-W41 HydrophobicContact CG-CD2 4.08Å; K35-W41 HydrophobicContact CG-CE3 3.73Å; K35-W41 HydrophobicContact CG-CH2 3.96Å; K35-W41 HydrophobicContact CG-CZ2 4.35Å; K35-W41 HydrophobicContact CG-CZ3 3.68Å
36N93.2Very high94.5Very high55 Ų5580.8 Ų80.829%0.29440%0.4SS..  trans-72176.7167.772.410.7000111.1L38 G39 Q40N36-L38 PolarHBondContact O-N 3.18Å; N36-L38 WeakPolarHBondContact OD1-CA 3.27Å; N36-L38 WeakPolarHBondContact OD1-CB 3.46Å; N36-L38 PolarHBondContact OD1-N 3.45Å; N36-G39 PolarHBondContact O-N 2.89Å; N36-G39 PolarHBondContact OD1-N 3.27Å; N36-G39 VanDerWaalsContact OD1-N 3.11Å; N36-Q40 PolarHBondContact N-O 3.47Å; N36-Q40 PolarHBondContact ND2-OE1 3.43Å; N36-Q40 PolarHBondContact OD1-N 3.04Å; N36-Q40 PolarHBondContact OD1-O 2.85Å
37N93.2Very high94.2Very high176 Ų17675.3 Ų75.394%0.94138%0.383SS*.THydrogen-bonded Turntrans-61.1-16.2179.4-61.9-11.4000114
38L92.8Very high94.1Very high142 Ų14273.6 Ų73.674%0.74337%0.373SS*.THydrogen-bonded Turntrans-95.13176.7-56.5174.1000112.4N36 Q40N36-L38 PolarHBondContact O-N 3.18Å; N36-L38 WeakPolarHBondContact OD1-CA 3.27Å; N36-L38 WeakPolarHBondContact OD1-CB 3.46Å; N36-L38 PolarHBondContact OD1-N 3.45Å; L38-Q40 VanDerWaalsContact C-N 3.29Å; L38-Q40 HydrophobicContact CB-CG 4.39Å; L38-Q40 PolarHBondContact O-N 3.45Å
39G92Very high94.1Very high41 Ų4169.6 Ų69.642%0.42335%0.352SS..SBendtrans77.78.2-179.300000115K35 N36K35-G39 WeakPolarHBondContact CD-O 3.25Å; N36-G39 PolarHBondContact O-N 2.89Å; N36-G39 PolarHBondContact OD1-N 3.27Å; N36-G39 VanDerWaalsContact OD1-N 3.11Å
40Q93.1Very high94.2Very high110 Ų11063.3 Ų63.351%0.51433%0.325SS..  trans-85.9144.6177.2-57.1167-41.200110.3K35 N36 L38K35-Q40 CarbonylContact C-O 3.51Å; K35-Q40 VanDerWaalsContact CA-O 3.28Å; K35-Q40 WeakPolarHBondContact CA-O 3.21Å; N36-Q40 PolarHBondContact N-O 3.47Å; N36-Q40 PolarHBondContact ND2-OE1 3.43Å; N36-Q40 PolarHBondContact OD1-N 3.04Å; N36-Q40 PolarHBondContact OD1-O 2.85Å; L38-Q40 VanDerWaalsContact C-N 3.29Å; L38-Q40 HydrophobicContact CB-CG 4.39Å; L38-Q40 PolarHBondContact O-N 3.45Å
41W95Very high94.2Very high61 Ų6162.1 Ų62.123%0.23132%0.323CS..EExtended strand (participates in β ladder)trans-68.8140174.3-64.6116.1000111.2F33 E34 K35 P63 I100F33-W41 HydrophobicContact CB-CD2 4.47Å; F33-W41 HydrophobicContact CB-CE3 3.74Å; F33-W41 HydrophobicContact CB-CZ3 4.29Å; E34-W41 CarbonylContact O-C 3.56Å; E34-W41 WeakPolarHBondContact O-CA 3.36Å; K35-W41 HydrophobicContact CD-CH2 4.29Å; K35-W41 HydrophobicContact CD-CZ2 4.46Å; K35-W41 HydrophobicContact CD-CZ3 4.49Å; K35-W41 VanDerWaalsContact CE-CZ2 3.41Å; K35-W41 HydrophobicContact CG-CD2 4.08Å; K35-W41 HydrophobicContact CG-CE3 3.73Å; K35-W41 HydrophobicContact CG-CH2 3.96Å; K35-W41 HydrophobicContact CG-CZ2 4.35Å; K35-W41 HydrophobicContact CG-CZ3 3.68Å; W41-P63 HydrophobicContact CD2-CB 4.15Å; W41-P63 HydrophobicContact CE3-CB 4.48Å; W41-P63 HydrophobicContact CH2-CB 4.44Å; W41-P63 HydrophobicContact CZ2-CB 4.05Å; W41-P63 HydrophobicContact CZ2-CG 4.4Å; W41-I100 HydrophobicContact CB-CG2 3.84Å; W41-I100 HydrophobicContact CG-CG2 4.02Å
42K94.7Very high94.2Very high118 Ų11859.7 Ų59.751%0.51331%0.307SS..EExtended strand (participates in β ladder)trans-134.2147.7170.9-170.7-170172.1-168.20108.4F33 E34F33-K42 CarbonylContact C-O 3.56Å; F33-K42 VanDerWaalsContact CA-O 3.26Å; F33-K42 WeakPolarHBondContact CA-O 3.39Å; E34-K42 PolarHBondContact N-O 2.92Å; E34-K42 PolarHBondContact O-N 3.16Å
43S93.8Very high94.2Very high14 Ų1464 Ų6410%0.09834%0.336CS..EExtended strand (participates in β ladder)trans-67.1134.9168.560.50000110.5H45S43-H45 VanDerWaalsContact C-N 3.33Å; S43-H45 WeakPolarHBondContact CB-O 3.22Å; S43-H45 PolarHBondContact OG-O 2.9Å
44V93.4Very high94.1Very high43 Ų4370.2 Ų70.226%0.26137%0.365SS..SBendtrans-69.5-37.1176.6-177.60000110.5P31 L32 E34P31-V44 HydrophobicContact CB-CG2 4.4Å; P31-V44 HydrophobicContact CG-CG2 4.22Å; P31-V44 VanDerWaalsContact O-CG2 3.32Å; P31-V44 WeakPolarHBondContact O-CG2 3.5Å; L32-V44 PolarHBondContact O-N 3.29Å; L32-V44 VanDerWaalsContact O-N 3.12Å; E34-V44 HydrophobicContact CB-CG2 3.98Å; E34-V44 HydrophobicContact CG-CG2 3.96Å
45H88.5Confident94.2Very high78 Ų7866.7 Ų66.736%0.36135%0.35SS..SBendtrans-120.5-138.7175.2-69.970.6000109.3S43 H70S43-H45 VanDerWaalsContact C-N 3.33Å; S43-H45 WeakPolarHBondContact CB-O 3.22Å; S43-H45 PolarHBondContact OG-O 2.9Å; H45-H70 AromaticContact CD2-NE2 3.83Å; H45-H70 AromaticContact CE1-CD2 3.87Å; H45-H70 AromaticContact CE1-CE1 3.09Å; H45-H70 PolarHBondContact CE1-CE1 2.88Å; H45-H70 AromaticContact CE1-NE2 2.92Å; H45-H70 PolarHBondContact CE1-NE2 3.27Å; H45-H70 AromaticContact CG-CE1 3.74Å; H45-H70 AromaticContact CG-NE2 3.83Å; H45-H70 AromaticContact ND1-CE1 2.99Å; H45-H70 PolarHBondContact ND1-CE1 3.03Å; H45-H70 AromaticContact ND1-ND1 3.71Å; H45-H70 AromaticContact ND1-NE2 3.28Å; H45-H70 PolarHBondContact ND1-NE2 2.97Å; H45-H70 AromaticContact NE2-CD2 3.9Å; H45-H70 AromaticContact NE2-CE1 3.85Å; H45-H70 AromaticContact NE2-NE2 3.3Å; H45-H70 PolarHBondContact NE2-NE2 2.83Å
46H91.7Very high94.2Very high87 Ų8762.4 Ų62.440%0.40334%0.337SS..  trans-69.7136.5176.9-156.7-62.8000111.1F48 T49H46-F48 AromaticContact CE1-CD2 2.92Å; H46-F48 WeakPolarHBondContact CE1-CD2 3.13Å; H46-F48 AromaticContact CE1-CE2 3.22Å; H46-F48 WeakPolarHBondContact CE1-CE2 3.46Å; H46-F48 AromaticContact CE1-CG 3.74Å; H46-F48 AromaticContact ND1-CD2 3.14Å; H46-F48 WeakPolarHBondContact ND1-CD2 3.32Å; H46-F48 AromaticContact ND1-CE2 3.88Å; H46-F48 AromaticContact ND1-CG 3.52Å; H46-F48 PolarHBondContact ND1-N 3.11Å; H46-F48 AromaticContact NE2-CD2 3.91Å; H46-F48 PolarHBondContact O-N 3.45Å; H46-T49 WeakPolarHBondContact O-CB 3.41Å; H46-T49 PolarHBondContact O-N 3.37Å; H46-T49 PolarHBondContact O-OG1 3.11Å
47P92.1Very high94.3Very high27 Ų2764.9 Ų64.918%0.17535%0.347CS..THydrogen-bonded Turntrans-64.9-4.8178.625.9-38.4000115.6Q93 F97 L101P47-Q93 PolarHBondContact O-NE2 3.35Å; P47-F97 HydrophobicContact CB-CE1 3.55Å; P47-F97 HydrophobicContact CB-CZ 3.87Å; P47-F97 HydrophobicContact CG-CE1 3.98Å; P47-F97 HydrophobicContact CG-CZ 4.14Å; P47-L101 HydrophobicContact CB-CD1 3.74Å
48F94Very high94.5Very high30 Ų3059.2 Ų59.213%0.13231%0.314CS..THydrogen-bonded Turntrans-96.85175.8-58.4-46.3000112.5H46 A50 R86 V87 Q93 F97 M108 F111H46-F48 AromaticContact CE1-CD2 2.92Å; H46-F48 WeakPolarHBondContact CE1-CD2 3.13Å; H46-F48 AromaticContact CE1-CE2 3.22Å; H46-F48 WeakPolarHBondContact CE1-CE2 3.46Å; H46-F48 AromaticContact CE1-CG 3.74Å; H46-F48 AromaticContact ND1-CD2 3.14Å; H46-F48 WeakPolarHBondContact ND1-CD2 3.32Å; H46-F48 AromaticContact ND1-CE2 3.88Å; H46-F48 AromaticContact ND1-CG 3.52Å; H46-F48 PolarHBondContact ND1-N 3.11Å; H46-F48 AromaticContact NE2-CD2 3.91Å; H46-F48 PolarHBondContact O-N 3.45Å; F48-A50 PolarHBondContact O-N 3.27Å; F48-R86 CarbonylContact O-C 3.57Å; F48-R86 VanDerWaalsContact O-CA 3.23Å; F48-R86 WeakPolarHBondContact O-CA 3.45Å; F48-V87 PolarHBondContact O-N 3.15Å; F48-Q93 HydrophobicContact CD1-CG 4.28Å; F48-F97 HydrophobicContact CD1-CE2 4.02Å; F48-F97 AromaticContact CD1-CZ 3.83Å; F48-F97 HydrophobicContact CD1-CZ 3.83Å; F48-F97 AromaticContact CE1-CE2 3.59Å; F48-F97 HydrophobicContact CE1-CE2 3.59Å; F48-F97 AromaticContact CE1-CZ 3.5Å; F48-F97 HydrophobicContact CE1-CZ 3.5Å; F48-F97 VanDerWaalsContact CE1-CZ 3.5Å; F48-F97 HydrophobicContact CZ-CZ 4.36Å; F48-M108 HydrophobicContact CD1-CE 4.49Å; F48-M108 HydrophobicContact CE1-CE 3.23Å; F48-M108 HydrophobicContact CE2-CE 4.34Å; F48-M108 HydrophobicContact CZ-CE 3.12Å; F48-F111 HydrophobicContact CD1-CD1 4.3Å; F48-F111 AromaticContact CD1-CE1 3.76Å; F48-F111 HydrophobicContact CD1-CE1 3.76Å; F48-F111 HydrophobicContact CD1-CZ 4.45Å; F48-F111 HydrophobicContact CD2-CE1 4.38Å; F48-F111 HydrophobicContact CD2-CZ 4.3Å; F48-F111 AromaticContact CE1-CD1 3.5Å; F48-F111 HydrophobicContact CE1-CD1 3.5Å; F48-F111 AromaticContact CE1-CE1 3.4Å; F48-F111 HydrophobicContact CE1-CE1 3.4Å; F48-F111 HydrophobicContact CE1-CG 4.34Å; F48-F111 HydrophobicContact CE1-CZ 4.18Å; F48-F111 HydrophobicContact CE2-CE1 4.14Å; F48-F111 HydrophobicContact CE2-CE2 4.46Å; F48-F111 HydrophobicContact CE2-CZ 4.1Å; F48-F111 HydrophobicContact CG-CE1 4.24Å; F48-F111 AromaticContact CZ-CD1 3.66Å; F48-F111 HydrophobicContact CZ-CD1 3.66Å; F48-F111 HydrophobicContact CZ-CD2 4.42Å; F48-F111 AromaticContact CZ-CE1 3.63Å; F48-F111 HydrophobicContact CZ-CE1 3.63Å; F48-F111 HydrophobicContact CZ-CE2 4.4Å; F48-F111 HydrophobicContact CZ-CG 4.07Å; F48-F111 HydrophobicContact CZ-CZ 4.02Å
49T96.6Very high94.6Very high2 Ų252.7 Ų52.71%0.01228%0.279CS..BIsolated β-bridgetrans-68.7126.7-179.9-62.80000109.5L32 H46 H70 S84L32-T49 HydrophobicContact CD1-CG2 3.58Å; L32-T49 WeakPolarHBondContact CD1-O 3.44Å; H46-T49 WeakPolarHBondContact O-CB 3.41Å; H46-T49 PolarHBondContact O-N 3.37Å; H46-T49 PolarHBondContact O-OG1 3.11Å; T49-H70 HydrophobicContact CG2-CB 4.01Å; T49-S84 PolarHBondContact OG1-OG 2.79Å
50A96.8Very high94.7Very high13 Ų1356.4 Ų56.411%0.10728%0.282CS..PPolyproline II helixtrans-69.7143.5177.600000111.2F48 L69 I85 V87F48-A50 PolarHBondContact O-N 3.27Å; A50-L69 HydrophobicContact CB-CD1 4.15Å; A50-L69 PolarHBondContact O-N 3.39Å; A50-I85 HydrophobicContact CB-CB 4.31Å; A50-I85 HydrophobicContact CB-CG2 4.07Å; A50-I85 WeakPolarHBondContact CB-O 3.23Å; A50-I85 PolarHBondContact N-O 3.04Å; A50-V87 HydrophobicContact CB-CG2 4.19Å
51A97.1Very high94.8Very high17 Ų1756.2 Ų56.214%0.1429%0.288CS..BIsolated β-bridgetrans-70.2151.3167.300000110.8L32 A56 L59 V66 I67L32-A51 HydrophobicContact CD2-CB 4.01Å; A51-A56 HydrophobicContact CB-CB 4.03Å; A51-L59 HydrophobicContact CB-CD1 3.96Å; A51-L59 HydrophobicContact CB-CG 4.33Å; A51-V66 HydrophobicContact CB-CG1 3.5Å; A51-V66 VanDerWaalsContact CB-CG1 3.5Å; A51-I67 CarbonylContact C-O 3.51Å; A51-I67 WeakPolarHBondContact CA-O 3.44Å
52S96.5Very high94.8Very high7 Ų755.6 Ų55.65%0.04929%0.289CS..PPolyproline II helixtrans-65.8142.8172.498.50000109.8E54 T55 A56 I67S52-E54 WeakPolarHBondContact CB-OE2 3.31Å; S52-E54 PolarHBondContact O-N 3.43Å; S52-E54 VanDerWaalsContact O-N 3.15Å; S52-E54 PolarHBondContact OG-N 2.87Å; S52-E54 PolarHBondContact OG-OE2 2.96Å; S52-T55 PolarHBondContact O-N 3.34Å; S52-T55 PolarHBondContact OG-N 3Å; S52-T55 PolarHBondContact OG-OG1 3.34Å; S52-A56 WeakPolarHBondContact O-CB 3.47Å; S52-A56 PolarHBondContact O-N 3.47Å; S52-I67 PolarHBondContact N-O 3.31Å
53P95.6Very high94.8Very high100 Ų10050.8 Ų50.865%0.64927%0.27SS*.THydrogen-bonded Turntrans-55.9-33.4178.9-25.435.2000112.9T55P53-T55 VanDerWaalsContact C-N 3.31Å; P53-T55 PolarHBondContact O-N 2.84Å
54E96.2Very high94.9Very high137 Ų13753.1 Ų53.164%0.6429%0.287SS*.THydrogen-bonded Turntrans-69.6-29-179.2-49.780.2-168.500112.5S52 H57S52-E54 WeakPolarHBondContact CB-OE2 3.31Å; S52-E54 PolarHBondContact O-N 3.43Å; S52-E54 VanDerWaalsContact O-N 3.15Å; S52-E54 PolarHBondContact OG-N 2.87Å; S52-E54 PolarHBondContact OG-OE2 2.96Å; E54-H57 PolarHBondContact O-CE1 3.13Å; E54-H57 PolarHBondContact O-ND1 2.84Å
55T96.4Very high95.1Very high21 Ų2156 Ų5613%0.12930%0.296CS..THydrogen-bonded Turntrans-116.3-4.1-173.163.10000114S52 P53 H57 F58 I67S52-T55 PolarHBondContact O-N 3.34Å; S52-T55 PolarHBondContact OG-N 3Å; S52-T55 PolarHBondContact OG-OG1 3.34Å; P53-T55 VanDerWaalsContact C-N 3.31Å; P53-T55 PolarHBondContact O-N 2.84Å; T55-H57 PolarHBondContact O-N 3.33Å; T55-H57 VanDerWaalsContact O-N 3.15Å; T55-F58 WeakPolarHBondContact O-CB 3.41Å; T55-F58 PolarHBondContact O-N 3.24Å; T55-I67 HydrophobicContact CG2-CB 4.18Å; T55-I67 HydrophobicContact CG2-CG1 3.97Å; T55-I67 PolarHBondContact OG1-N 2.7Å; T55-I67 PolarHBondContact OG1-O 2.9Å
56A95Very high95.5Very high32 Ų3252.3 Ų52.326%0.26428%0.279SS..G310 helixtrans-57.2-32.4-177.600000113.5A51 S52 F58 L59A51-A56 HydrophobicContact CB-CB 4.03Å; S52-A56 WeakPolarHBondContact O-CB 3.47Å; S52-A56 PolarHBondContact O-N 3.47Å; A56-F58 PolarHBondContact O-N 3.12Å; A56-L59 VanDerWaalsContact O-CB 3.23Å; A56-L59 WeakPolarHBondContact O-CB 3.33Å; A56-L59 WeakPolarHBondContact O-CD1 3.05Å; A56-L59 VanDerWaalsContact O-CG 3.28Å; A56-L59 WeakPolarHBondContact O-CG 3.4Å; A56-L59 PolarHBondContact O-N 3.01Å
57H95.7Very high95.8Very high107 Ų10750.4 Ų50.450%0.49527%0.271SS..G310 helixtrans-62-23.3176.366.7-83.4000113.3E54 T55 L59E54-H57 PolarHBondContact O-CE1 3.13Å; E54-H57 PolarHBondContact O-ND1 2.84Å; T55-H57 PolarHBondContact O-N 3.33Å; T55-H57 VanDerWaalsContact O-N 3.15Å; H57-L59 PolarHBondContact O-N 3.11Å
58F96.8Very high96Very high56 Ų5649.2 Ų49.225%0.24626%0.264CS..G310 helixtrans-73.4-13.1175.3-69-60.8000113.6T55 A56 Y60 T61 D62 K65 V66T55-F58 WeakPolarHBondContact O-CB 3.41Å; T55-F58 PolarHBondContact O-N 3.24Å; A56-F58 PolarHBondContact O-N 3.12Å; F58-Y60 PolarHBondContact O-N 2.86Å; F58-T61 WeakPolarHBondContact CA-OG1 3.33Å; F58-T61 PolarHBondContact O-N 2.98Å; F58-T61 VanDerWaalsContact O-N 3.14Å; F58-D62 CarbonylContact O-C 3.56Å; F58-D62 PolarHBondContact O-N 3.28Å; F58-K65 HydrophobicContact CB-CB 4.06Å; F58-K65 HydrophobicContact CD1-CB 4.19Å; F58-K65 HydrophobicContact CD1-CD 3.93Å; F58-K65 HydrophobicContact CD2-CB 3.71Å; F58-K65 HydrophobicContact CD2-CD 4.49Å; F58-K65 HydrophobicContact CE1-CD 3.76Å; F58-K65 HydrophobicContact CE2-CB 4.17Å; F58-K65 HydrophobicContact CE2-CD 4.32Å; F58-K65 HydrophobicContact CG-CB 3.73Å; F58-K65 HydrophobicContact CG-CD 4.31Å; F58-K65 HydrophobicContact CZ-CD 3.97Å; F58-V66 HydrophobicContact CB-CG2 3.73Å
59L95.4Very high96.1Very high5 Ų550.6 Ų50.63%0.02627%0.272CS..G310 helixtrans-53.2-40.1175.2-76.7167.9000112.1L32 F33 A51 A56 H57 V66 V92 Y95 I96 I100L32-L59 HydrophobicContact CD2-CD2 4.33Å; F33-L59 HydrophobicContact CE2-CD2 3.65Å; F33-L59 HydrophobicContact CZ-CD2 4.15Å; A51-L59 HydrophobicContact CB-CD1 3.96Å; A51-L59 HydrophobicContact CB-CG 4.33Å; A56-L59 VanDerWaalsContact O-CB 3.23Å; A56-L59 WeakPolarHBondContact O-CB 3.33Å; A56-L59 WeakPolarHBondContact O-CD1 3.05Å; A56-L59 VanDerWaalsContact O-CG 3.28Å; A56-L59 WeakPolarHBondContact O-CG 3.4Å; A56-L59 PolarHBondContact O-N 3.01Å; H57-L59 PolarHBondContact O-N 3.11Å; L59-V66 HydrophobicContact CD2-CG1 4.04Å; L59-V66 HydrophobicContact CD2-CG2 4.12Å; L59-V66 HydrophobicContact CG-CG1 4.23Å; L59-V66 HydrophobicContact CG-CG2 4.14Å; L59-V92 HydrophobicContact CD1-CG1 4.14Å; L59-Y95 WeakPolarHBondContact O-CE1 3.45Å; L59-I96 HydrophobicContact CD2-CD1 4.35Å; L59-I96 HydrophobicContact CD2-CG1 4.15Å; L59-I100 HydrophobicContact CD2-CD1 3.75Å
60Y94.9Very high96.1Very high120 Ų12050.8 Ų50.847%0.47127%0.273SS..G310 helixtrans-91.6-3.1-174.3-51.4-75.7000113.9F58 Y95F58-Y60 PolarHBondContact O-N 2.86Å; Y60-Y95 AromaticContact CD1-CD1 3.82Å; Y60-Y95 HydrophobicContact CD1-CD1 3.82Å; Y60-Y95 AromaticContact CD1-CD2 3.99Å; Y60-Y95 HydrophobicContact CD1-CD2 3.99Å; Y60-Y95 AromaticContact CD1-CE1 3.49Å; Y60-Y95 HydrophobicContact CD1-CE1 3.49Å; Y60-Y95 VanDerWaalsContact CD1-CE1 3.49Å; Y60-Y95 AromaticContact CD1-CE2 3.67Å; Y60-Y95 HydrophobicContact CD1-CE2 3.67Å; Y60-Y95 HydrophobicContact CD1-CG 4.07Å; Y60-Y95 AromaticContact CD1-CZ 3.42Å; Y60-Y95 VanDerWaalsContact CD1-CZ 3.42Å; Y60-Y95 AromaticContact CE1-CD1 3.64Å; Y60-Y95 HydrophobicContact CE1-CD1 3.64Å; Y60-Y95 AromaticContact CE1-CD2 3.85Å; Y60-Y95 HydrophobicContact CE1-CD2 3.85Å; Y60-Y95 AromaticContact CE1-CE1 3.84Å; Y60-Y95 HydrophobicContact CE1-CE1 3.84Å; Y60-Y95 HydrophobicContact CE1-CE2 4.03Å; Y60-Y95 AromaticContact CE1-CG 3.66Å; Y60-Y95 HydrophobicContact CE1-CG 3.66Å; Y60-Y95 HydrophobicContact CG-CE1 4.36Å
61T94.8Very high96.1Very high106 Ų10652.6 Ų52.665%0.6528%0.279SS*.THydrogen-bonded Turntrans-129-55.2-173.452.10000112.5F58F58-T61 WeakPolarHBondContact CA-OG1 3.33Å; F58-T61 PolarHBondContact O-N 2.98Å; F58-T61 VanDerWaalsContact O-N 3.14Å
62D95.2Very high96.1Very high47 Ų4752.7 Ų52.725%0.25128%0.277SS..  trans-144.988.3-177.4-175.21.1000111F58 S64 K65F58-D62 CarbonylContact O-C 3.56Å; F58-D62 PolarHBondContact O-N 3.28Å; D62-S64 VanDerWaalsContact CG-OG 3.23Å; D62-S64 PolarHBondContact O-N 3.02Å; D62-S64 WeakPolarHBondContact OD1-CB 3.48Å; D62-S64 PolarHBondContact OD1-N 2.9Å; D62-S64 PolarHBondContact OD1-OG 3.32Å; D62-S64 PolarHBondContact OD2-OG 2.98Å; D62-K65 HydrophobicContact CB-CD 4.39Å; D62-K65 PolarHBondContact O-N 2.88Å; D62-K65 VanDerWaalsContact O-N 3.08Å; D62-K65 WeakPolarHBondContact OD2-CD 2.97Å; D62-K65 VanDerWaalsContact OD2-CE 3.25Å; D62-K65 WeakPolarHBondContact OD2-CE 3.23Å; D62-K65 IonicContact OD2-NZ 2.74Å; D62-K65 PolarHBondContact OD2-NZ 2.83Å
63P95.1Very high96.2Very high17 Ų1753.4 Ų53.411%0.1128%0.28CS..G310 helixtrans-56.2-19.1-178.3-27.735.6000114.8F33 W41 K65 V66 I100F33-P63 HydrophobicContact CD2-CB 3.95Å; W41-P63 HydrophobicContact CD2-CB 4.15Å; W41-P63 HydrophobicContact CE3-CB 4.48Å; W41-P63 HydrophobicContact CH2-CB 4.44Å; W41-P63 HydrophobicContact CZ2-CB 4.05Å; W41-P63 HydrophobicContact CZ2-CG 4.4Å; P63-K65 PolarHBondContact O-N 2.8Å; P63-V66 PolarHBondContact O-N 2.92Å; P63-I100 HydrophobicContact CB-CG2 4.3Å; P63-I100 HydrophobicContact CG-CD1 4.36Å; P63-I100 HydrophobicContact CG-CG1 4.44Å; P63-I100 HydrophobicContact CG-CG2 4.37Å
64S95.6Very high96.3Very high64 Ų6449.7 Ų49.745%0.44826%0.255SS..G310 helixtrans-64.6-24.4177.873.20000113.9D62D62-S64 VanDerWaalsContact CG-OG 3.23Å; D62-S64 PolarHBondContact O-N 3.02Å; D62-S64 WeakPolarHBondContact OD1-CB 3.48Å; D62-S64 PolarHBondContact OD1-N 2.9Å; D62-S64 PolarHBondContact OD1-OG 3.32Å; D62-S64 PolarHBondContact OD2-OG 2.98Å
65K96.9Very high96.4Very high104 Ų10443.1 Ų43.145%0.45223%0.225SC..G310 helixtrans-94.3-3.7-176.9-67.9176.7178.7130.30113F58 D62 P63 I67F58-K65 HydrophobicContact CB-CB 4.06Å; F58-K65 HydrophobicContact CD1-CB 4.19Å; F58-K65 HydrophobicContact CD1-CD 3.93Å; F58-K65 HydrophobicContact CD2-CB 3.71Å; F58-K65 HydrophobicContact CD2-CD 4.49Å; F58-K65 HydrophobicContact CE1-CD 3.76Å; F58-K65 HydrophobicContact CE2-CB 4.17Å; F58-K65 HydrophobicContact CE2-CD 4.32Å; F58-K65 HydrophobicContact CG-CB 3.73Å; F58-K65 HydrophobicContact CG-CD 4.31Å; F58-K65 HydrophobicContact CZ-CD 3.97Å; D62-K65 HydrophobicContact CB-CD 4.39Å; D62-K65 PolarHBondContact O-N 2.88Å; D62-K65 VanDerWaalsContact O-N 3.08Å; D62-K65 WeakPolarHBondContact OD2-CD 2.97Å; D62-K65 VanDerWaalsContact OD2-CE 3.25Å; D62-K65 WeakPolarHBondContact OD2-CE 3.23Å; D62-K65 IonicContact OD2-NZ 2.74Å; D62-K65 PolarHBondContact OD2-NZ 2.83Å; P63-K65 PolarHBondContact O-N 2.8Å; K65-I67 PolarHBondContact O-N 3.34Å
66V97.2Very high96.3Very high0 Ų045.7 Ų45.70%024%0.238CC..PPolyproline II helixtrans-78.8121.2-176.4-174.40000109.3L32 F33 A51 F58 L59 P63L32-V66 HydrophobicContact CB-CB 4.22Å; L32-V66 HydrophobicContact CB-CG1 3.89Å; L32-V66 HydrophobicContact CD2-CG1 3.63Å; L32-V66 HydrophobicContact CG-CG1 4.41Å; L32-V66 PolarHBondContact N-O 3.44Å; F33-V66 HydrophobicContact CD2-CB 4.47Å; A51-V66 HydrophobicContact CB-CG1 3.5Å; A51-V66 VanDerWaalsContact CB-CG1 3.5Å; F58-V66 HydrophobicContact CB-CG2 3.73Å; L59-V66 HydrophobicContact CD2-CG1 4.04Å; L59-V66 HydrophobicContact CD2-CG2 4.12Å; L59-V66 HydrophobicContact CG-CG1 4.23Å; L59-V66 HydrophobicContact CG-CG2 4.14Å; P63-V66 PolarHBondContact O-N 2.92Å
67I97.5Very high96.2Very high47 Ų4747.6 Ų47.624%0.24126%0.261CS..EExtended strand (participates in β ladder)trans-93.1132.9173.7-61.7-60.2000108.4Q29 F30 A51 S52 T55 K65Q29-I67 HydrophobicContact CB-CG2 4.09Å; Q29-I67 HydrophobicContact CG-CG2 4.4Å; F30-I67 WeakPolarHBondContact O-CA 3.44Å; A51-I67 CarbonylContact C-O 3.51Å; A51-I67 WeakPolarHBondContact CA-O 3.44Å; S52-I67 PolarHBondContact N-O 3.31Å; T55-I67 HydrophobicContact CG2-CB 4.18Å; T55-I67 HydrophobicContact CG2-CG1 3.97Å; T55-I67 PolarHBondContact OG1-N 2.7Å; T55-I67 PolarHBondContact OG1-O 2.9Å; K65-I67 PolarHBondContact O-N 3.34Å
68G96.7Very high96.2Very high2 Ų247 Ų472%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-86146.2176.800000112.2F30 H70F30-G68 PolarHBondContact O-N 2.85Å; G68-H70 PolarHBondContact O-N 3.21Å
69L96.9Very high96.2Very high59 Ų5949 Ų4931%0.30927%0.268SS..SBendtrans-79.947.7168.4-67177.4000111.4A50 S84 I85A50-L69 HydrophobicContact CB-CD1 4.15Å; A50-L69 PolarHBondContact O-N 3.39Å; L69-S84 VanDerWaalsContact O-CA 3.26Å; L69-S84 WeakPolarHBondContact O-CA 3.37Å; L69-S84 WeakPolarHBondContact O-CB 3.36Å; L69-I85 HydrophobicContact CB-CB 3.79Å; L69-I85 HydrophobicContact CB-CG1 3.95Å; L69-I85 HydrophobicContact CD1-CB 3.95Å; L69-I85 HydrophobicContact CD1-CG1 4.13Å; L69-I85 HydrophobicContact CD1-CG2 4.14Å; L69-I85 PolarHBondContact O-N 2.84Å
70H95.7Very high96.3Very high6 Ų648.9 Ų48.93%0.02827%0.268CS..EExtended strand (participates in β ladder)trans-104.6156.1169.891-106.5000111.4F30 H45 T49 G68 D72 G83F30-H70 WeakPolarHBondContact CB-CE1 3.35Å; F30-H70 WeakPolarHBondContact CB-ND1 3.09Å; F30-H70 WeakPolarHBondContact CB-NE2 3.35Å; F30-H70 AromaticContact CD1-CE1 3.58Å; F30-H70 AromaticContact CD1-NE2 3.37Å; F30-H70 WeakPolarHBondContact CD1-NE2 3.46Å; F30-H70 AromaticContact CD2-CD2 3.37Å; F30-H70 WeakPolarHBondContact CD2-CD2 3.15Å; F30-H70 AromaticContact CD2-CE1 3.24Å; F30-H70 WeakPolarHBondContact CD2-CE1 3.23Å; F30-H70 AromaticContact CD2-CG 3.88Å; F30-H70 AromaticContact CD2-ND1 3.76Å; F30-H70 AromaticContact CD2-NE2 2.89Å; F30-H70 WeakPolarHBondContact CD2-NE2 3.13Å; F30-H70 AromaticContact CE1-NE2 3.59Å; F30-H70 AromaticContact CE2-CD2 3.45Å; F30-H70 VanDerWaalsContact CE2-CD2 3.45Å; F30-H70 WeakPolarHBondContact CE2-CD2 3.39Å; F30-H70 AromaticContact CE2-CE1 3.95Å; F30-H70 AromaticContact CE2-NE2 3.13Å; F30-H70 WeakPolarHBondContact CE2-NE2 2.89Å; F30-H70 AromaticContact CG-CD2 3.93Å; F30-H70 AromaticContact CG-CE1 2.98Å; F30-H70 WeakPolarHBondContact CG-CE1 3.26Å; F30-H70 AromaticContact CG-ND1 3.8Å; F30-H70 AromaticContact CG-NE2 2.99Å; F30-H70 WeakPolarHBondContact CG-NE2 3.12Å; F30-H70 AromaticContact CZ-NE2 3.46Å; F30-H70 WeakPolarHBondContact CZ-NE2 3.37Å; H45-H70 AromaticContact CD2-NE2 3.83Å; H45-H70 AromaticContact CE1-CD2 3.87Å; H45-H70 AromaticContact CE1-CE1 3.09Å; H45-H70 PolarHBondContact CE1-CE1 2.88Å; H45-H70 AromaticContact CE1-NE2 2.92Å; H45-H70 PolarHBondContact CE1-NE2 3.27Å; H45-H70 AromaticContact CG-CE1 3.74Å; H45-H70 AromaticContact CG-NE2 3.83Å; H45-H70 AromaticContact ND1-CE1 2.99Å; H45-H70 PolarHBondContact ND1-CE1 3.03Å; H45-H70 AromaticContact ND1-ND1 3.71Å; H45-H70 AromaticContact ND1-NE2 3.28Å; H45-H70 PolarHBondContact ND1-NE2 2.97Å; H45-H70 AromaticContact NE2-CD2 3.9Å; H45-H70 AromaticContact NE2-CE1 3.85Å; H45-H70 AromaticContact NE2-NE2 3.3Å; H45-H70 PolarHBondContact NE2-NE2 2.83Å; T49-H70 HydrophobicContact CG2-CB 4.01Å; G68-H70 PolarHBondContact O-N 3.21Å; H70-D72 IonicContact CD2-OD1 3.92Å; H70-G83 CarbonylContact C-O 3.52Å; H70-G83 VanDerWaalsContact CA-O 3.23Å; H70-G83 WeakPolarHBondContact CA-O 3.25Å; H70-G83 WeakPolarHBondContact CB-O 3.45Å
71H97Very high96.4Very high50 Ų5043.3 Ų43.323%0.23125%0.247CC..EExtended strand (participates in β ladder)trans-146.8138.4-176.449.5-91.6000109.9W26 I27 G82 G83W26-H71 HydrophobicContact CE3-CB 4.36Å; W26-H71 AromaticContact CZ3-CD2 3.77Å; I27-H71 CarbonylContact O-C 3.15Å; I27-H71 VanDerWaalsContact O-CA 3.23Å; I27-H71 WeakPolarHBondContact O-CA 2.99Å; H71-G82 WeakPolarHBondContact O-CA 3.48Å; H71-G83 PolarHBondContact N-O 3.29Å; H71-G83 PolarHBondContact O-N 2.94Å
72D97.7Very high96.5Very high19 Ų1939.2 Ų39.210%0.10223%0.226CC..EExtended strand (participates in β ladder)trans-113.9138.5173.8-69.9-8.3000109.5W26 I27 F30 H70 G81W26-D72 WeakPolarHBondContact CA-O 3.32Å; I27-D72 HydrophobicContact CB-CB 4.43Å; I27-D72 PolarHBondContact N-O 2.6Å; I27-D72 PolarHBondContact O-N 2.88Å; F30-D72 HydrophobicContact CZ-CB 4.23Å; H70-D72 IonicContact CD2-OD1 3.92Å; D72-G81 WeakPolarHBondContact CA-O 3.42Å
73L98.1Very high96.6Very high23 Ų2337.4 Ų37.412%0.1222%0.218CC..EExtended strand (participates in β ladder)trans-96.4118.8169.5-17561.9000108.3F24 W26 V80 G81 L127F24-L73 HydrophobicContact CB-CD1 4.46Å; F24-L73 HydrophobicContact CD1-CD1 3.89Å; F24-L73 HydrophobicContact CD1-CD2 4.28Å; F24-L73 HydrophobicContact CD1-CG 4.09Å; F24-L73 HydrophobicContact CE1-CD2 4.35Å; W26-L73 HydrophobicContact CD2-CD1 3.95Å; W26-L73 HydrophobicContact CE3-CB 4.12Å; W26-L73 HydrophobicContact CE3-CD1 4.13Å; W26-L73 HydrophobicContact CH2-CB 4.05Å; W26-L73 HydrophobicContact CH2-CD1 4.06Å; W26-L73 HydrophobicContact CH2-CD2 4.34Å; W26-L73 HydrophobicContact CH2-CG 4.37Å; W26-L73 HydrophobicContact CZ2-CD1 3.86Å; W26-L73 HydrophobicContact CZ3-CB 3.71Å; W26-L73 HydrophobicContact CZ3-CD1 4.17Å; W26-L73 HydrophobicContact CZ3-CG 4.43Å; L73-V80 HydrophobicContact CB-CG2 4.07Å; L73-V80 HydrophobicContact CD2-CG2 3.87Å; L73-V80 HydrophobicContact CG-CG2 3.65Å; L73-V80 VanDerWaalsContact O-CG2 3.23Å; L73-V80 WeakPolarHBondContact O-CG2 2.84Å; L73-V80 PolarHBondContact O-N 2.92Å; L73-G81 PolarHBondContact N-O 3.01Å; L73-G81 PolarHBondContact O-N 3.28Å; L73-L127 HydrophobicContact CD2-CD2 4.36Å
74V97.9Very high96.7Very high21 Ų2136.8 Ų36.813%0.12721%0.214CC..EExtended strand (participates in β ladder)trans-111.1134.7177.5175.50000109.1F24 L25 I27 Q78F24-V74 CarbonylContact C-O 3.54Å; F24-V74 VanDerWaalsContact CA-O 3.27Å; F24-V74 WeakPolarHBondContact CA-O 3.47Å; L25-V74 PolarHBondContact N-O 3.03Å; L25-V74 PolarHBondContact O-N 3.4Å; I27-V74 HydrophobicContact CD1-CG2 3.65Å; I27-V74 HydrophobicContact CG1-CG2 4.04Å; V74-Q78 CarbonylContact C-O 3.59Å; V74-Q78 VanDerWaalsContact CA-O 3.31Å; V74-Q78 WeakPolarHBondContact CA-O 3.24Å
75C97.1Very high96.8Very high0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-124.5124.9171.6-1750000109.3H23 F24 G77 Q78 V80 I135H23-C75 WeakPolarHBondContact O-CA 2.98Å; F24-C75 HydrophobicContact CD1-CB 3.71Å; F24-C75 HydrophobicContact CE1-CB 3.54Å; F24-C75 HydrophobicContact CG-CB 4.46Å; F24-C75 HydrophobicContact CZ-CB 4.15Å; C75-G77 PolarHBondContact O-N 3.09Å; C75-G77 VanDerWaalsContact O-N 3.12Å; C75-Q78 PolarHBondContact N-O 3.3Å; C75-Q78 PolarHBondContact O-N 2.84Å; C75-V80 HydrophobicContact CB-CG1 3.79Å; C75-V80 HydrophobicContact CB-CG2 4.07Å; C75-I135 HydrophobicContact CB-CD1 4.35Å
76N94.4Very high96.8Very high74 Ų7435.4 Ų35.440%0.39620%0.201SC..THydrogen-bonded Turntrans50.339.1178.5-66.7-7.3000113.4G21 H23 Q78G21-N76 PolarHBondContact O-ND2 3.37Å; G21-N76 PolarHBondContact O-OD1 2.96Å; H23-N76 WeakPolarHBondContact CB-OD1 3.27Å; H23-N76 PolarHBondContact N-OD1 2.82Å; H23-N76 PolarHBondContact ND1-OD1 2.99Å; H23-N76 PolarHBondContact O-N 3.21Å; N76-Q78 VanDerWaalsContact C-N 3.33Å; N76-Q78 PolarHBondContact O-N 3.18Å
77G93.1Very high96.8Very high73 Ų7335.7 Ų35.775%0.75320%0.203SC*.THydrogen-bonded Turntrans78.39.2179.300000115.5C75C75-G77 PolarHBondContact O-N 3.09Å; C75-G77 VanDerWaalsContact O-N 3.12Å
78Q95.3Very high96.6Very high95 Ų9537 Ų3744%0.44421%0.208SC..EExtended strand (participates in β ladder)trans-116.1134.9173.7-61.3-173.755.800110.7V74 C75 N76 V80 I135V74-Q78 CarbonylContact C-O 3.59Å; V74-Q78 VanDerWaalsContact CA-O 3.31Å; V74-Q78 WeakPolarHBondContact CA-O 3.24Å; C75-Q78 PolarHBondContact N-O 3.3Å; C75-Q78 PolarHBondContact O-N 2.84Å; N76-Q78 VanDerWaalsContact C-N 3.33Å; N76-Q78 PolarHBondContact O-N 3.18Å; Q78-V80 PolarHBondContact O-N 2.89Å; Q78-I135 HydrophobicContact CB-CD1 4.04Å
79E97.2Very high96.5Very high98 Ų9839.9 Ų39.946%0.45822%0.222SC..EExtended strand (participates in β ladder)trans-64.5121.1170.1-174.5-155.8153.300109.5R131E79-R131 WeakPolarHBondContact O-CD 3.14Å; E79-R131 PolarHBondContact O-NH1 3.26Å
80V97.4Very high96.4Very high2 Ų238.2 Ų38.21%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-112.4-7.3178.8-65.40000113.1F24 L73 C75 Q78 G128 R131 L132 I135F24-V80 HydrophobicContact CE1-CG2 4.24Å; L73-V80 HydrophobicContact CB-CG2 4.07Å; L73-V80 HydrophobicContact CD2-CG2 3.87Å; L73-V80 HydrophobicContact CG-CG2 3.65Å; L73-V80 VanDerWaalsContact O-CG2 3.23Å; L73-V80 WeakPolarHBondContact O-CG2 2.84Å; L73-V80 PolarHBondContact O-N 2.92Å; C75-V80 HydrophobicContact CB-CG1 3.79Å; C75-V80 HydrophobicContact CB-CG2 4.07Å; Q78-V80 PolarHBondContact O-N 2.89Å; V80-G128 PolarHBondContact O-N 3.48Å; V80-R131 HydrophobicContact CG1-CG 4.5Å; V80-L132 HydrophobicContact CB-CD1 4.18Å; V80-L132 HydrophobicContact CG1-CD1 4.26Å; V80-L132 HydrophobicContact CG2-CD1 4.39Å; V80-I135 HydrophobicContact CG1-CD1 3.39Å
81G97.3Very high96.3Very high3 Ų345.1 Ų45.13%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-177.1163.1173.200000111.5D72 L73 A126D72-G81 WeakPolarHBondContact CA-O 3.42Å; L73-G81 PolarHBondContact N-O 3.01Å; L73-G81 PolarHBondContact O-N 3.28Å; G81-A126 CarbonylContact C-O 3.5Å; G81-A126 WeakPolarHBondContact CA-O 3.26Å
82G97.2Very high96.2Very high20 Ų2044.2 Ų44.221%0.20625%0.245CC..EExtended strand (participates in β ladder)trans-156.5147.9-176.400000110.7H71 I125 A126H71-G82 WeakPolarHBondContact O-CA 3.48Å; G82-I125 WeakPolarHBondContact O-CG1 3.48Å; G82-A126 PolarHBondContact N-O 3.4Å; G82-A126 PolarHBondContact O-N 2.87Å
83G97.1Very high96Very high9 Ų943.3 Ų43.39%0.09324%0.24CC..EExtended strand (participates in β ladder)trans-159.8165.6-171.400000112.5H70 H71 G124H70-G83 CarbonylContact C-O 3.52Å; H70-G83 VanDerWaalsContact CA-O 3.23Å; H70-G83 WeakPolarHBondContact CA-O 3.25Å; H70-G83 WeakPolarHBondContact CB-O 3.45Å; H71-G83 PolarHBondContact N-O 3.29Å; H71-G83 PolarHBondContact O-N 2.94Å; G83-G124 CarbonylContact C-O 3.54Å; G83-G124 WeakPolarHBondContact CA-O 3.35Å
84S97.5Very high95.8Very high3 Ų347.9 Ų47.92%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-152.1156.2169.967.90000113.1T49 L69 R86 G123 G124T49-S84 PolarHBondContact OG1-OG 2.79Å; L69-S84 VanDerWaalsContact O-CA 3.26Å; L69-S84 WeakPolarHBondContact O-CA 3.37Å; L69-S84 WeakPolarHBondContact O-CB 3.36Å; S84-R86 PolarHBondContact OG-NH1 2.84Å; S84-G123 WeakPolarHBondContact O-CA 3.33Å; S84-G124 PolarHBondContact N-O 3.45Å; S84-G124 PolarHBondContact O-N 2.89Å
85I97.8Very high95.6Very high70 Ų7050.1 Ų50.136%0.35927%0.266SS..EExtended strand (participates in β ladder)trans-69133.7159.6-55.4-54.6000107.4A50 L69A50-I85 HydrophobicContact CB-CB 4.31Å; A50-I85 HydrophobicContact CB-CG2 4.07Å; A50-I85 WeakPolarHBondContact CB-O 3.23Å; A50-I85 PolarHBondContact N-O 3.04Å; L69-I85 HydrophobicContact CB-CB 3.79Å; L69-I85 HydrophobicContact CB-CG1 3.95Å; L69-I85 HydrophobicContact CD1-CB 3.95Å; L69-I85 HydrophobicContact CD1-CG1 4.13Å; L69-I85 HydrophobicContact CD1-CG2 4.14Å; L69-I85 PolarHBondContact O-N 2.84Å
86R96.9Very high95.5Very high69 Ų6950.2 Ų50.226%0.2627%0.266SS..EExtended strand (participates in β ladder)trans-96.3146.7-176.9-52.3-54.8-178174.21.5110.5F48 S84 H88 H122F48-R86 CarbonylContact O-C 3.57Å; F48-R86 VanDerWaalsContact O-CA 3.23Å; F48-R86 WeakPolarHBondContact O-CA 3.45Å; S84-R86 PolarHBondContact OG-NH1 2.84Å; R86-H88 PolarHBondContact O-N 2.86Å; R86-H122 VanDerWaalsContact CB-NE2 3.27Å; R86-H122 WeakPolarHBondContact CB-NE2 3.43Å; R86-H122 PolarHBondContact N-O 3.16Å
87V96Very high95.3Very high7 Ų746.8 Ų46.84%0.04225%0.248CC..PPolyproline II helixtrans-65.4121.6171.5-178.60000108F48 A50 N89 V92 Q93 I96F48-V87 PolarHBondContact O-N 3.15Å; A50-V87 HydrophobicContact CB-CG2 4.19Å; V87-N89 VanDerWaalsContact CG1-O 3.31Å; V87-N89 WeakPolarHBondContact CG1-O 3.27Å; V87-V92 HydrophobicContact CG1-CB 4.09Å; V87-V92 HydrophobicContact CG1-CG1 4.03Å; V87-Q93 HydrophobicContact CB-CB 4.45Å; V87-Q93 HydrophobicContact CG1-CB 3.8Å; V87-I96 HydrophobicContact CG2-CD1 4.18Å
88H95.1Very high95.3Very high75 Ų7545.3 Ų45.335%0.34722%0.224SC..  trans-104.3-19174.861.5-81.7000111.9R86 P90 P120R86-H88 PolarHBondContact O-N 2.86Å; H88-P90 WeakPolarHBondContact O-CD 3.24Å; H88-P120 WeakPolarHBondContact CB-O 3.49Å
89N94.3Very high95.2Very high61 Ų6146 Ų4633%0.32623%0.228SC..  trans-79.7117.5176.9-177.4-45.6000110.1V87 E91 V92 Q93V87-N89 VanDerWaalsContact CG1-O 3.31Å; V87-N89 WeakPolarHBondContact CG1-O 3.27Å; N89-E91 VanDerWaalsContact C-N 3.35Å; N89-E91 PolarHBondContact O-N 3.05Å; N89-E91 WeakPolarHBondContact OD1-CA 3.44Å; N89-E91 WeakPolarHBondContact OD1-CB 3.34Å; N89-E91 PolarHBondContact OD1-N 3.49Å; N89-V92 HydrophobicContact CB-CB 4.12Å; N89-V92 HydrophobicContact CB-CG2 3.91Å; N89-V92 PolarHBondContact O-N 3.42Å; N89-V92 PolarHBondContact OD1-N 3.44Å; N89-V92 VanDerWaalsContact OD1-N 3.16Å; N89-Q93 PolarHBondContact O-N 3.3Å
90P93.4Very high95Very high24 Ų2441.8 Ų41.816%0.15621%0.208CC..Hα-helixtrans-66.6-32.8-17625.3-32.6000113.2H88 Q93 K94 L115 N116H88-P90 WeakPolarHBondContact O-CD 3.24Å; P90-Q93 PolarHBondContact O-N 2.85Å; P90-K94 VanDerWaalsContact O-CB 3.26Å; P90-K94 WeakPolarHBondContact O-CB 3.23Å; P90-K94 PolarHBondContact O-N 3.11Å; P90-L115 HydrophobicContact CB-CB 4.02Å; P90-N116 WeakPolarHBondContact CB-OD1 3Å; P90-N116 WeakPolarHBondContact CG-OD1 3.34Å
91E93.8Very high94.8Very high152 Ų15242.5 Ų42.571%0.7121%0.212SC*.Hα-helixtrans-68.3-43.9178.3-57.6-177.4155.600111N89 K94 Y95N89-E91 VanDerWaalsContact C-N 3.35Å; N89-E91 PolarHBondContact O-N 3.05Å; N89-E91 WeakPolarHBondContact OD1-CA 3.44Å; N89-E91 WeakPolarHBondContact OD1-CB 3.34Å; N89-E91 PolarHBondContact OD1-N 3.49Å; E91-K94 PolarHBondContact O-N 3.24Å; E91-Y95 WeakPolarHBondContact O-CB 3.35Å; E91-Y95 PolarHBondContact O-N 2.76Å
92V94.6Very high94.5Very high31 Ų3150.5 Ų50.519%0.18825%0.246CC..Hα-helixtrans-61.9-46.7175.3176.20000110.2L59 V87 N89 K94 Y95 I96L59-V92 HydrophobicContact CD1-CG1 4.14Å; V87-V92 HydrophobicContact CG1-CB 4.09Å; V87-V92 HydrophobicContact CG1-CG1 4.03Å; N89-V92 HydrophobicContact CB-CB 4.12Å; N89-V92 HydrophobicContact CB-CG2 3.91Å; N89-V92 PolarHBondContact O-N 3.42Å; N89-V92 PolarHBondContact OD1-N 3.44Å; N89-V92 VanDerWaalsContact OD1-N 3.16Å; V92-K94 VanDerWaalsContact C-N 3.34Å; V92-K94 PolarHBondContact O-N 3.42Å; V92-Y95 PolarHBondContact O-N 2.91Å; V92-I96 HydrophobicContact CG1-CD1 3.93Å; V92-I96 WeakPolarHBondContact O-CG1 3.44Å; V92-I96 PolarHBondContact O-N 3.21Å
93Q94.7Very high94Very high0 Ų054 Ų540%026%0.257CS..Hα-helixtrans-63.9-41179.9-170.759.165.600112.1P47 F48 V87 N89 P90 I96 F97 L112 L115P47-Q93 PolarHBondContact O-NE2 3.35Å; F48-Q93 HydrophobicContact CD1-CG 4.28Å; V87-Q93 HydrophobicContact CB-CB 4.45Å; V87-Q93 HydrophobicContact CG1-CB 3.8Å; N89-Q93 PolarHBondContact O-N 3.3Å; P90-Q93 PolarHBondContact O-N 2.85Å; Q93-I96 PolarHBondContact O-N 3.3Å; Q93-F97 HydrophobicContact CG-CD2 3.91Å; Q93-F97 HydrophobicContact CG-CE2 3.61Å; Q93-F97 VanDerWaalsContact NE2-CZ 3.31Å; Q93-F97 VanDerWaalsContact O-CD2 3.31Å; Q93-F97 WeakPolarHBondContact O-CD2 3.22Å; Q93-F97 PolarHBondContact O-N 3.31Å; Q93-F97 VanDerWaalsContact O-N 3.1Å; Q93-L112 HydrophobicContact CB-CD2 3.97Å; Q93-L112 HydrophobicContact CG-CD2 3.92Å; Q93-L115 HydrophobicContact CB-CD1 3.99Å; Q93-L115 HydrophobicContact CG-CD1 4.12Å
94K93Very high93.2Very high118 Ų11859 Ų5951%0.51328%0.281SS..Hα-helixtrans-61-46.5175.9-173.5176.1-172.7178.10110.9P90 E91 V92 I96 F97 T98 L112P90-K94 VanDerWaalsContact O-CB 3.26Å; P90-K94 WeakPolarHBondContact O-CB 3.23Å; P90-K94 PolarHBondContact O-N 3.11Å; E91-K94 PolarHBondContact O-N 3.24Å; V92-K94 VanDerWaalsContact C-N 3.34Å; V92-K94 PolarHBondContact O-N 3.42Å; K94-I96 PolarHBondContact O-N 3.09Å; K94-F97 PolarHBondContact O-N 3.04Å; K94-T98 HydrophobicContact CG-CG2 4.28Å; K94-T98 PolarHBondContact O-N 3.19Å; K94-T98 PolarHBondContact O-OG1 3.03Å; K94-T98 VanDerWaalsContact O-OG1 3.12Å; K94-L112 HydrophobicContact CB-CD1 4.33Å; K94-L112 HydrophobicContact CB-CD2 4.4Å; K94-L112 HydrophobicContact CG-CD1 4.36Å
95Y94.1Very high92Very high69 Ų6961 Ų6127%0.27130%0.295SS..Hα-helixtrans-59.8-44.1177.4-174.8-90.5000112.3L59 Y60 E91 V92 F97 E99 I100L59-Y95 WeakPolarHBondContact O-CE1 3.45Å; Y60-Y95 AromaticContact CD1-CD1 3.82Å; Y60-Y95 HydrophobicContact CD1-CD1 3.82Å; Y60-Y95 AromaticContact CD1-CD2 3.99Å; Y60-Y95 HydrophobicContact CD1-CD2 3.99Å; Y60-Y95 AromaticContact CD1-CE1 3.49Å; Y60-Y95 HydrophobicContact CD1-CE1 3.49Å; Y60-Y95 VanDerWaalsContact CD1-CE1 3.49Å; Y60-Y95 AromaticContact CD1-CE2 3.67Å; Y60-Y95 HydrophobicContact CD1-CE2 3.67Å; Y60-Y95 HydrophobicContact CD1-CG 4.07Å; Y60-Y95 AromaticContact CD1-CZ 3.42Å; Y60-Y95 VanDerWaalsContact CD1-CZ 3.42Å; Y60-Y95 AromaticContact CE1-CD1 3.64Å; Y60-Y95 HydrophobicContact CE1-CD1 3.64Å; Y60-Y95 AromaticContact CE1-CD2 3.85Å; Y60-Y95 HydrophobicContact CE1-CD2 3.85Å; Y60-Y95 AromaticContact CE1-CE1 3.84Å; Y60-Y95 HydrophobicContact CE1-CE1 3.84Å; Y60-Y95 HydrophobicContact CE1-CE2 4.03Å; Y60-Y95 AromaticContact CE1-CG 3.66Å; Y60-Y95 HydrophobicContact CE1-CG 3.66Å; Y60-Y95 HydrophobicContact CG-CE1 4.36Å; E91-Y95 WeakPolarHBondContact O-CB 3.35Å; E91-Y95 PolarHBondContact O-N 2.76Å; V92-Y95 PolarHBondContact O-N 2.91Å; Y95-F97 VanDerWaalsContact C-N 3.33Å; Y95-F97 PolarHBondContact O-N 3.06Å; Y95-E99 HydrophobicContact CD1-CB 4.43Å; Y95-E99 HydrophobicContact CD2-CB 4.03Å; Y95-E99 HydrophobicContact CD2-CG 3.54Å; Y95-E99 HydrophobicContact CE1-CB 4.19Å; Y95-E99 HydrophobicContact CE2-CB 3.77Å; Y95-E99 HydrophobicContact CE2-CG 3.5Å; Y95-E99 VanDerWaalsContact CE2-CG 3.5Å; Y95-E99 HydrophobicContact CG-CB 4.35Å; Y95-E99 HydrophobicContact CG-CG 4.2Å; Y95-E99 WeakPolarHBondContact O-CB 3.48Å; Y95-E99 PolarHBondContact O-N 2.94Å; Y95-I100 HydrophobicContact CD1-CD1 4.15Å; Y95-I100 HydrophobicContact CD1-CG1 4.2Å; Y95-I100 HydrophobicContact CE1-CD1 3.99Å; Y95-I100 HydrophobicContact CE1-CG1 3.89Å; Y95-I100 PolarHBondContact O-N 2.89Å
96I94.5Very high91.1Very high2 Ų261.7 Ų61.71%0.0131%0.305CS..Iπ-helixtrans-58.2-45.9176.7-70.5168.1000110.6F33 L59 V87 V92 Q93 K94 I100 L101F33-I96 HydrophobicContact CE1-CG2 3.92Å; F33-I96 HydrophobicContact CZ-CG1 4.23Å; F33-I96 HydrophobicContact CZ-CG2 3.83Å; L59-I96 HydrophobicContact CD2-CD1 4.35Å; L59-I96 HydrophobicContact CD2-CG1 4.15Å; V87-I96 HydrophobicContact CG2-CD1 4.18Å; V92-I96 HydrophobicContact CG1-CD1 3.93Å; V92-I96 WeakPolarHBondContact O-CG1 3.44Å; V92-I96 PolarHBondContact O-N 3.21Å; Q93-I96 PolarHBondContact O-N 3.3Å; K94-I96 PolarHBondContact O-N 3.09Å; I96-I100 HydrophobicContact CG1-CD1 4.24Å; I96-I100 WeakPolarHBondContact O-CB 3.23Å; I96-I100 PolarHBondContact O-N 2.84Å; I96-L101 HydrophobicContact CG2-CD1 3.9Å; I96-L101 HydrophobicContact CG2-CG 4.18Å; I96-L101 WeakPolarHBondContact O-CB 3.32Å; I96-L101 WeakPolarHBondContact O-CG 3.41Å; I96-L101 PolarHBondContact O-N 3.38Å
97F91.8Very high90.3Very high2 Ų266 Ų661%0.00933%0.328CS..Iπ-helixtrans-70-49.5-179.6-77.8-54000113.6P47 F48 Q93 K94 Y95 L101 K102 E103 M108P47-F97 HydrophobicContact CB-CE1 3.55Å; P47-F97 HydrophobicContact CB-CZ 3.87Å; P47-F97 HydrophobicContact CG-CE1 3.98Å; P47-F97 HydrophobicContact CG-CZ 4.14Å; F48-F97 HydrophobicContact CD1-CE2 4.02Å; F48-F97 AromaticContact CD1-CZ 3.83Å; F48-F97 HydrophobicContact CD1-CZ 3.83Å; F48-F97 AromaticContact CE1-CE2 3.59Å; F48-F97 HydrophobicContact CE1-CE2 3.59Å; F48-F97 AromaticContact CE1-CZ 3.5Å; F48-F97 HydrophobicContact CE1-CZ 3.5Å; F48-F97 VanDerWaalsContact CE1-CZ 3.5Å; F48-F97 HydrophobicContact CZ-CZ 4.36Å; Q93-F97 HydrophobicContact CG-CD2 3.91Å; Q93-F97 HydrophobicContact CG-CE2 3.61Å; Q93-F97 VanDerWaalsContact NE2-CZ 3.31Å; Q93-F97 VanDerWaalsContact O-CD2 3.31Å; Q93-F97 WeakPolarHBondContact O-CD2 3.22Å; Q93-F97 PolarHBondContact O-N 3.31Å; Q93-F97 VanDerWaalsContact O-N 3.1Å; K94-F97 PolarHBondContact O-N 3.04Å; Y95-F97 VanDerWaalsContact C-N 3.33Å; Y95-F97 PolarHBondContact O-N 3.06Å; F97-L101 HydrophobicContact CD1-CD1 3.93Å; F97-L101 HydrophobicContact CE1-CD1 4.08Å; F97-L101 CarbonylContact O-C 3.5Å; F97-K102 WeakPolarHBondContact O-CA 3.31Å; F97-K102 PolarHBondContact O-N 2.99Å; F97-E103 HydrophobicContact CD1-CB 4.31Å; F97-E103 WeakPolarHBondContact CD1-OE2 3.44Å; F97-E103 WeakPolarHBondContact CE1-OE2 3.28Å; F97-E103 PolarHBondContact O-N 3.15Å; F97-M108 HydrophobicContact CD1-SD 3.81Å; F97-M108 HydrophobicContact CD2-CE 4.41Å; F97-M108 HydrophobicContact CD2-SD 3.79Å; F97-M108 HydrophobicContact CE1-CE 4.05Å; F97-M108 HydrophobicContact CE1-SD 3.37Å; F97-M108 WeakPolarHBondContact CE1-SD 3.34Å; F97-M108 HydrophobicContact CE2-CE 3.43Å; F97-M108 VanDerWaalsContact CE2-CE 3.43Å; F97-M108 HydrophobicContact CE2-SD 3.32Å; F97-M108 WeakPolarHBondContact CE2-SD 2.92Å; F97-M108 HydrophobicContact CG-SD 4.04Å; F97-M108 HydrophobicContact CZ-CE 3.25Å; F97-M108 HydrophobicContact CZ-SD 3.14Å; F97-M108 WeakPolarHBondContact CZ-SD 3.47Å
98T91.4Very high89.6Confident41 Ų4167 Ų6725%0.25233%0.333SS..Iπ-helixtrans-80.3-43.7-170.564.20000112.2K94 K102K94-T98 HydrophobicContact CG-CG2 4.28Å; K94-T98 PolarHBondContact O-N 3.19Å; K94-T98 PolarHBondContact O-OG1 3.03Å; K94-T98 VanDerWaalsContact O-OG1 3.12Å; T98-K102 WeakPolarHBondContact O-CA 3.14Å
99E93.4Very high89.2Confident111 Ų11169.3 Ų69.352%0.51934%0.344SS..Iπ-helixtrans-92.8-41.9-171.3-55-50128.300112.5Y95Y95-E99 HydrophobicContact CD1-CB 4.43Å; Y95-E99 HydrophobicContact CD2-CB 4.03Å; Y95-E99 HydrophobicContact CD2-CG 3.54Å; Y95-E99 HydrophobicContact CE1-CB 4.19Å; Y95-E99 HydrophobicContact CE2-CB 3.77Å; Y95-E99 HydrophobicContact CE2-CG 3.5Å; Y95-E99 VanDerWaalsContact CE2-CG 3.5Å; Y95-E99 HydrophobicContact CG-CB 4.35Å; Y95-E99 HydrophobicContact CG-CG 4.2Å; Y95-E99 WeakPolarHBondContact O-CB 3.48Å; Y95-E99 PolarHBondContact O-N 2.94Å
100I94Very high89Confident8 Ų874.5 Ų74.54%0.04136%0.36CS..Iπ-helixtrans-85.8-61.6-176.5-55.6-179.9000110.5F33 W41 L59 P63 Y95 I96F33-I100 HydrophobicContact CD1-CG2 3.91Å; F33-I100 HydrophobicContact CD2-CG2 4.28Å; F33-I100 HydrophobicContact CE1-CG2 3.85Å; F33-I100 HydrophobicContact CE2-CD1 3.89Å; F33-I100 HydrophobicContact CE2-CG2 4.22Å; F33-I100 HydrophobicContact CG-CG2 4.12Å; F33-I100 HydrophobicContact CZ-CD1 3.91Å; F33-I100 HydrophobicContact CZ-CG2 4.02Å; W41-I100 HydrophobicContact CB-CG2 3.84Å; W41-I100 HydrophobicContact CG-CG2 4.02Å; L59-I100 HydrophobicContact CD2-CD1 3.75Å; P63-I100 HydrophobicContact CB-CG2 4.3Å; P63-I100 HydrophobicContact CG-CD1 4.36Å; P63-I100 HydrophobicContact CG-CG1 4.44Å; P63-I100 HydrophobicContact CG-CG2 4.37Å; Y95-I100 HydrophobicContact CD1-CD1 4.15Å; Y95-I100 HydrophobicContact CD1-CG1 4.2Å; Y95-I100 HydrophobicContact CE1-CD1 3.99Å; Y95-I100 HydrophobicContact CE1-CG1 3.89Å; Y95-I100 PolarHBondContact O-N 2.89Å; I96-I100 HydrophobicContact CG1-CD1 4.24Å; I96-I100 WeakPolarHBondContact O-CB 3.23Å; I96-I100 PolarHBondContact O-N 2.84Å
101L93.2Very high88.8Confident18 Ų1875.7 Ų75.79%0.09436%0.363CS..Iπ-helixtrans-79.9-20.7-174.3-60.8178.9000112.9F33 P47 I96 F97 E103F33-L101 HydrophobicContact CD1-CD2 3.88Å; F33-L101 HydrophobicContact CE1-CD2 3.88Å; F33-L101 HydrophobicContact CE1-CG 4.26Å; P47-L101 HydrophobicContact CB-CD1 3.74Å; I96-L101 HydrophobicContact CG2-CD1 3.9Å; I96-L101 HydrophobicContact CG2-CG 4.18Å; I96-L101 WeakPolarHBondContact O-CB 3.32Å; I96-L101 WeakPolarHBondContact O-CG 3.41Å; I96-L101 PolarHBondContact O-N 3.38Å; F97-L101 HydrophobicContact CD1-CD1 3.93Å; F97-L101 HydrophobicContact CE1-CD1 4.08Å; F97-L101 CarbonylContact O-C 3.5Å; L101-E103 HydrophobicContact CB-CG 4.03Å; L101-E103 PolarHBondContact O-N 2.86Å
102K91.7Very high88.7Confident171 Ų17169.3 Ų69.374%0.74333%0.333SS*.  trans54.936-177-55.9-175177.3-173.40113F97 T98F97-K102 WeakPolarHBondContact O-CA 3.31Å; F97-K102 PolarHBondContact O-N 2.99Å; T98-K102 WeakPolarHBondContact O-CA 3.14Å
103E86.1Confident88.6Confident93 Ų9371.5 Ų71.544%0.43535%0.347SS..  trans-86.1154176.1-70.3-175.9169.400110.9F97 L101 S105F97-E103 HydrophobicContact CD1-CB 4.31Å; F97-E103 WeakPolarHBondContact CD1-OE2 3.44Å; F97-E103 WeakPolarHBondContact CE1-OE2 3.28Å; F97-E103 PolarHBondContact O-N 3.15Å; L101-E103 HydrophobicContact CB-CG 4.03Å; L101-E103 PolarHBondContact O-N 2.86Å; E103-S105 PolarHBondContact O-N 2.93Å
104N79.9Confident88.6Confident113 Ų11374.1 Ų74.160%0.60437%0.369SS*.  trans-72.5111.8178-173.3-9.9000110.1C106N104-C106 PolarHBondContact O-N 3.12Å; N104-C106 VanDerWaalsContact O-N 3.13Å; N104-C106 VanDerWaalsContact OD1-CB 3.23Å; N104-C106 WeakPolarHBondContact OD1-CB 3.37Å; N104-C106 PolarHBondContact OD1-N 3.31Å
105S73.4Confident88.7Confident45 Ų4568.9 Ų68.932%0.31535%0.347SS..G310 helixtrans-62.2-18.7179.751.70000114.6E103 E107 M108 E109E103-S105 PolarHBondContact O-N 2.93Å; S105-E107 VanDerWaalsContact C-N 3.32Å; S105-E107 PolarHBondContact O-N 3.4Å; S105-M108 CarbonylContact O-C 3.59Å; S105-M108 PolarHBondContact O-N 3.29Å; S105-E109 PolarHBondContact O-N 3.34Å; S105-E109 VanDerWaalsContact O-N 3.12Å
106C78.8Confident88.7Confident85 Ų8570.9 Ų70.957%0.57436%0.362SS*.G310 helixtrans-60.7-40.1-175.1-1600000112.2N104 M108 E109N104-C106 PolarHBondContact O-N 3.12Å; N104-C106 VanDerWaalsContact O-N 3.13Å; N104-C106 VanDerWaalsContact OD1-CB 3.23Å; N104-C106 WeakPolarHBondContact OD1-CB 3.37Å; N104-C106 PolarHBondContact OD1-N 3.31Å; C106-M108 PolarHBondContact O-N 2.93Å; C106-M108 VanDerWaalsContact O-N 3.16Å; C106-E109 PolarHBondContact O-N 2.6Å
107E78.4Confident88.7Confident160 Ų16075.6 Ų75.675%0.74840%0.395SS*.G310 helixtrans-67.5-17.1178.1-64.8-175175.400113S105 Y110S105-E107 VanDerWaalsContact C-N 3.32Å; S105-E107 PolarHBondContact O-N 3.4Å; E107-Y110 WeakPolarHBondContact O-CD1 3.25Å; E107-Y110 WeakPolarHBondContact O-CE1 3.49Å
108M82.8Confident88.8Confident29 Ų2978.5 Ų78.514%0.14343%0.425CS..G310 helixtrans-113.31.4-172.1-54.8-15571.700113.5F48 F97 S105 C106 Y110 F111 L112F48-M108 HydrophobicContact CD1-CE 4.49Å; F48-M108 HydrophobicContact CE1-CE 3.23Å; F48-M108 HydrophobicContact CE2-CE 4.34Å; F48-M108 HydrophobicContact CZ-CE 3.12Å; F97-M108 HydrophobicContact CD1-SD 3.81Å; F97-M108 HydrophobicContact CD2-CE 4.41Å; F97-M108 HydrophobicContact CD2-SD 3.79Å; F97-M108 HydrophobicContact CE1-CE 4.05Å; F97-M108 HydrophobicContact CE1-SD 3.37Å; F97-M108 WeakPolarHBondContact CE1-SD 3.34Å; F97-M108 HydrophobicContact CE2-CE 3.43Å; F97-M108 VanDerWaalsContact CE2-CE 3.43Å; F97-M108 HydrophobicContact CE2-SD 3.32Å; F97-M108 WeakPolarHBondContact CE2-SD 2.92Å; F97-M108 HydrophobicContact CG-SD 4.04Å; F97-M108 HydrophobicContact CZ-CE 3.25Å; F97-M108 HydrophobicContact CZ-SD 3.14Å; F97-M108 WeakPolarHBondContact CZ-SD 3.47Å; S105-M108 CarbonylContact O-C 3.59Å; S105-M108 PolarHBondContact O-N 3.29Å; C106-M108 PolarHBondContact O-N 2.93Å; C106-M108 VanDerWaalsContact O-N 3.16Å; M108-Y110 VanDerWaalsContact C-N 3.27Å; M108-Y110 PolarHBondContact O-N 3.08Å; M108-F111 WeakPolarHBondContact O-CA 3.33Å; M108-F111 WeakPolarHBondContact O-CB 3.25Å; M108-F111 PolarHBondContact O-N 2.95Å; M108-L112 PolarHBondContact O-N 3.11Å
109E86.5Confident89Confident122 Ų12277.8 Ų77.857%0.5742%0.424SS*.Hα-helixtrans-61.6-36.3-175.8-170.6163.4-160.800112.1S105 C106 F111 L112 T113S105-E109 PolarHBondContact O-N 3.34Å; S105-E109 VanDerWaalsContact O-N 3.12Å; C106-E109 PolarHBondContact O-N 2.6Å; E109-F111 VanDerWaalsContact C-N 3.27Å; E109-F111 PolarHBondContact O-N 3.29Å; E109-L112 PolarHBondContact O-N 3.18Å; E109-T113 WeakPolarHBondContact O-CB 3.43Å; E109-T113 PolarHBondContact O-N 3.18Å; E109-T113 PolarHBondContact O-OG1 3.19Å
110Y89.7Confident89.2Confident171 Ų17176.7 Ų76.767%0.67143%0.426SS*.Hα-helixtrans-60.2-39.4173.582.2-90.4000111.6E107 M108 T113 A114E107-Y110 WeakPolarHBondContact O-CD1 3.25Å; E107-Y110 WeakPolarHBondContact O-CE1 3.49Å; M108-Y110 VanDerWaalsContact C-N 3.27Å; M108-Y110 PolarHBondContact O-N 3.08Å; Y110-T113 WeakPolarHBondContact O-CB 3.26Å; Y110-T113 PolarHBondContact O-N 2.74Å; Y110-A114 PolarHBondContact O-N 3.31Å
111F89.9Confident89.3Confident49 Ų4981.1 Ų81.122%0.21546%0.456CS..Hα-helixtrans-74-42.2-179-169.8-98.3000111F48 M108 E109 T113 A114 L115F48-F111 HydrophobicContact CD1-CD1 4.3Å; F48-F111 AromaticContact CD1-CE1 3.76Å; F48-F111 HydrophobicContact CD1-CE1 3.76Å; F48-F111 HydrophobicContact CD1-CZ 4.45Å; F48-F111 HydrophobicContact CD2-CE1 4.38Å; F48-F111 HydrophobicContact CD2-CZ 4.3Å; F48-F111 AromaticContact CE1-CD1 3.5Å; F48-F111 HydrophobicContact CE1-CD1 3.5Å; F48-F111 AromaticContact CE1-CE1 3.4Å; F48-F111 HydrophobicContact CE1-CE1 3.4Å; F48-F111 HydrophobicContact CE1-CG 4.34Å; F48-F111 HydrophobicContact CE1-CZ 4.18Å; F48-F111 HydrophobicContact CE2-CE1 4.14Å; F48-F111 HydrophobicContact CE2-CE2 4.46Å; F48-F111 HydrophobicContact CE2-CZ 4.1Å; F48-F111 HydrophobicContact CG-CE1 4.24Å; F48-F111 AromaticContact CZ-CD1 3.66Å; F48-F111 HydrophobicContact CZ-CD1 3.66Å; F48-F111 HydrophobicContact CZ-CD2 4.42Å; F48-F111 AromaticContact CZ-CE1 3.63Å; F48-F111 HydrophobicContact CZ-CE1 3.63Å; F48-F111 HydrophobicContact CZ-CE2 4.4Å; F48-F111 HydrophobicContact CZ-CG 4.07Å; F48-F111 HydrophobicContact CZ-CZ 4.02Å; M108-F111 WeakPolarHBondContact O-CA 3.33Å; M108-F111 WeakPolarHBondContact O-CB 3.25Å; M108-F111 PolarHBondContact O-N 2.95Å; E109-F111 VanDerWaalsContact C-N 3.27Å; E109-F111 PolarHBondContact O-N 3.29Å; F111-T113 PolarHBondContact O-N 3.01Å; F111-A114 WeakPolarHBondContact O-CB 3.45Å; F111-A114 PolarHBondContact O-N 3.02Å; F111-A114 VanDerWaalsContact O-N 3.14Å; F111-L115 HydrophobicContact CD1-CD1 4.05Å; F111-L115 HydrophobicContact CD1-CG 4.2Å; F111-L115 HydrophobicContact CE1-CD1 3.8Å; F111-L115 HydrophobicContact CE1-CD2 4.2Å; F111-L115 HydrophobicContact CE1-CG 3.97Å; F111-L115 HydrophobicContact CZ-CD2 4.42Å; F111-L115 WeakPolarHBondContact O-CG 3.43Å; F111-L115 PolarHBondContact O-N 3.14Å
112L91.2Very high89.6Confident17 Ų1783.8 Ų83.89%0.08947%0.467CS..Hα-helixtrans-60.9-36172.7-67.4176.6000111.7Q93 K94 M108 E109 L115 N116Q93-L112 HydrophobicContact CB-CD2 3.97Å; Q93-L112 HydrophobicContact CG-CD2 3.92Å; K94-L112 HydrophobicContact CB-CD1 4.33Å; K94-L112 HydrophobicContact CB-CD2 4.4Å; K94-L112 HydrophobicContact CG-CD1 4.36Å; M108-L112 PolarHBondContact O-N 3.11Å; E109-L112 PolarHBondContact O-N 3.18Å; L112-L115 HydrophobicContact CD2-CD1 4.44Å; L112-L115 PolarHBondContact O-N 3.43Å; L112-N116 WeakPolarHBondContact O-CB 3.48Å; L112-N116 PolarHBondContact O-N 2.94Å; L112-N116 PolarHBondContact O-ND2 2.87Å; L112-N116 VanDerWaalsContact O-ND2 3.12Å
113T92.9Very high89.8Confident78 Ų7877.9 Ų77.948%0.47946%0.455SS..Hα-helixtrans-64.5-42.5173.6-58.20000111.5E109 Y110 F111 N116 S117E109-T113 WeakPolarHBondContact O-CB 3.43Å; E109-T113 PolarHBondContact O-N 3.18Å; E109-T113 PolarHBondContact O-OG1 3.19Å; Y110-T113 WeakPolarHBondContact O-CB 3.26Å; Y110-T113 PolarHBondContact O-N 2.74Å; F111-T113 PolarHBondContact O-N 3.01Å; T113-N116 PolarHBondContact O-N 3.1Å; T113-S117 PolarHBondContact O-N 3.38Å; T113-S117 VanDerWaalsContact O-N 3.1Å; T113-S117 PolarHBondContact O-OG 3.39Å
114A94.2Very high90.3Very high55 Ų5575.1 Ų75.146%0.45545%0.452SS..Hα-helixtrans-62.5-41.8174.700000111.9Y110 F111 S117Y110-A114 PolarHBondContact O-N 3.31Å; F111-A114 WeakPolarHBondContact O-CB 3.45Å; F111-A114 PolarHBondContact O-N 3.02Å; F111-A114 VanDerWaalsContact O-N 3.14Å; A114-S117 WeakPolarHBondContact O-CB 3.48Å; A114-S117 PolarHBondContact O-N 2.93Å
115L94.3Very high91.2Very high8 Ų873.5 Ų73.54%0.04244%0.442CS..Hα-helixtrans-61.5-45174.3-68.6-178.2000112.1P90 Q93 F111 L112 S117 G118 A119P90-L115 HydrophobicContact CB-CB 4.02Å; Q93-L115 HydrophobicContact CB-CD1 3.99Å; Q93-L115 HydrophobicContact CG-CD1 4.12Å; F111-L115 HydrophobicContact CD1-CD1 4.05Å; F111-L115 HydrophobicContact CD1-CG 4.2Å; F111-L115 HydrophobicContact CE1-CD1 3.8Å; F111-L115 HydrophobicContact CE1-CD2 4.2Å; F111-L115 HydrophobicContact CE1-CG 3.97Å; F111-L115 HydrophobicContact CZ-CD2 4.42Å; F111-L115 WeakPolarHBondContact O-CG 3.43Å; F111-L115 PolarHBondContact O-N 3.14Å; L112-L115 HydrophobicContact CD2-CD1 4.44Å; L112-L115 PolarHBondContact O-N 3.43Å; L115-S117 PolarHBondContact O-N 3.12Å; L115-G118 PolarHBondContact O-N 2.96Å; L115-A119 HydrophobicContact CD2-CB 3.77Å; L115-A119 PolarHBondContact O-N 3.37Å
116N94.2Very high92.3Very high110 Ų11074.7 Ų74.759%0.58846%0.455SS*.Hα-helixtrans-61.6-21.4176-84.5-46.9000113.7P90 L112 T113 G118P90-N116 WeakPolarHBondContact CB-OD1 3Å; P90-N116 WeakPolarHBondContact CG-OD1 3.34Å; L112-N116 WeakPolarHBondContact O-CB 3.48Å; L112-N116 PolarHBondContact O-N 2.94Å; L112-N116 PolarHBondContact O-ND2 2.87Å; L112-N116 VanDerWaalsContact O-ND2 3.12Å; T113-N116 PolarHBondContact O-N 3.1Å; N116-G118 PolarHBondContact O-N 3.37Å; N116-G118 VanDerWaalsContact O-N 3.09Å
117S94.9Very high93.2Very high101 Ų10175.4 Ų75.471%0.70645%0.452SS*.THydrogen-bonded Turntrans-78.215.6179.4-57.10000113.3T113 A114 L115T113-S117 PolarHBondContact O-N 3.38Å; T113-S117 VanDerWaalsContact O-N 3.1Å; T113-S117 PolarHBondContact O-OG 3.39Å; A114-S117 WeakPolarHBondContact O-CB 3.48Å; A114-S117 PolarHBondContact O-N 2.93Å; L115-S117 PolarHBondContact O-N 3.12Å
118G94.1Very high94.1Very high63 Ų6369.4 Ų69.465%0.64943%0.434SS*.THydrogen-bonded Turntrans90.438.8177.500000113.6L115 N116L115-G118 PolarHBondContact O-N 2.96Å; N116-G118 PolarHBondContact O-N 3.37Å; N116-G118 VanDerWaalsContact O-N 3.09Å
119A96Very high94.8Very high27 Ų2773.3 Ų73.322%0.22346%0.455CS..PPolyproline II helixtrans-61.7124.8176.100000110.9L115L115-A119 HydrophobicContact CD2-CB 3.77Å; L115-A119 PolarHBondContact O-N 3.37Å
120P97.4Very high95.3Very high88 Ų8871 Ų7157%0.57145%0.447SS*.PPolyproline II helixtrans-73.3164.517930.9-35.4000111.3H88 H122H88-P120 WeakPolarHBondContact CB-O 3.49Å; P120-H122 PolarHBondContact O-N 2.97Å; P120-H122 PolarHBondContact O-ND1 2.86Å
121P96.4Very high95.6Very high101 Ų10167.9 Ų67.966%0.65643%0.433SS*.PPolyproline II helixtrans-52.9123.9164.6-22.933.3000110.1
122H97.6Very high96Very high73 Ų7366.8 Ų66.834%0.33843%0.43SS..EExtended strand (participates in β ladder)trans-142.1156-175.961.6-77.4000110.8R86 P120R86-H122 VanDerWaalsContact CB-NE2 3.27Å; R86-H122 WeakPolarHBondContact CB-NE2 3.43Å; R86-H122 PolarHBondContact N-O 3.16Å; P120-H122 PolarHBondContact O-N 2.97Å; P120-H122 PolarHBondContact O-ND1 2.86Å
123G97.3Very high96.3Very high47 Ų4769 Ų6949%0.48544%0.441SS..EExtended strand (participates in β ladder)trans-158.7165.3179.900000109.6S84S84-G123 WeakPolarHBondContact O-CA 3.33Å
124G96.9Very high96.5Very high36 Ų3665.7 Ų65.737%0.37142%0.422SS..EExtended strand (participates in β ladder)trans-167.8170.2178.600000111.9G83 S84G83-G124 CarbonylContact C-O 3.54Å; G83-G124 WeakPolarHBondContact CA-O 3.35Å; S84-G124 PolarHBondContact N-O 3.45Å; S84-G124 PolarHBondContact O-N 2.89Å
125I97.4Very high96.6Very high78 Ų7864 Ų6440%0.441%0.405SS..EExtended strand (participates in β ladder)trans-135.4145.3179.5-169.4172.9000108.8W26 G82 L127W26-I125 HydrophobicContact CH2-CD1 3.8Å; W26-I125 HydrophobicContact CZ3-CD1 3.87Å; G82-I125 WeakPolarHBondContact O-CG1 3.48Å; I125-L127 HydrophobicContact CD1-CD2 4.29Å
126A97.8Very high96.6Very high70 Ų7067.9 Ų67.958%0.57942%0.421SS*.EExtended strand (participates in β ladder)trans-112.1133.7169.400000109G81 G82G81-A126 CarbonylContact C-O 3.5Å; G81-A126 WeakPolarHBondContact CA-O 3.26Å; G82-A126 PolarHBondContact N-O 3.4Å; G82-A126 PolarHBondContact O-N 2.87Å
127L97.7Very high96.7Very high100 Ų10067.1 Ų67.152%0.52442%0.42SS..EExtended strand (participates in β ladder)trans-101.9133.4175.5-62.5-179.9000109.9L73 I125 L129L73-L127 HydrophobicContact CD2-CD2 4.36Å; I125-L127 HydrophobicContact CD1-CD2 4.29Å; L127-L129 VanDerWaalsContact C-N 3.31Å; L127-L129 PolarHBondContact O-N 2.98Å
128G96.7Very high96.7Very high35 Ų3569.2 Ų69.236%0.36142%0.424SS..  trans-76.981.8169.300000110.1V80 D130 R131 L132V80-G128 PolarHBondContact O-N 3.48Å; G128-D130 PolarHBondContact O-N 3.04Å; G128-R131 PolarHBondContact O-N 3.39Å; G128-R131 VanDerWaalsContact O-N 3.11Å; G128-L132 PolarHBondContact O-N 3.42Å
129L97.7Very high96.8Very high111 Ų11167.5 Ų67.558%0.58140%0.403SS*.Hα-helixtrans-54-49.3-173.2-178.361.6000112.6L127 R131 L132 I133L127-L129 VanDerWaalsContact C-N 3.31Å; L127-L129 PolarHBondContact O-N 2.98Å; L129-R131 VanDerWaalsContact C-N 3.26Å; L129-R131 PolarHBondContact O-N 3.45Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 3.38Å; L129-L132 VanDerWaalsContact O-N 3.16Å; L129-I133 HydrophobicContact CD1-CD1 4.36Å; L129-I133 HydrophobicContact CD1-CG1 4.06Å; L129-I133 HydrophobicContact CG-CG1 4.42Å; L129-I133 WeakPolarHBondContact O-CG1 3.44Å; L129-I133 PolarHBondContact O-N 3.3Å
130D97.3Very high96.6Very high74 Ų7476.3 Ų76.340%0.39644%0.436SS..Hα-helixtrans-59.8-39.7-179.2-50.7-68.2000111.6G128 A134 I142 V145 I146G128-D130 PolarHBondContact O-N 3.04Å; D130-A134 WeakPolarHBondContact O-CB 3.32Å; D130-A134 PolarHBondContact O-N 3.42Å; D130-I142 HydrophobicContact CB-CB 4.24Å; D130-I142 HydrophobicContact CB-CG2 4.5Å; D130-V145 HydrophobicContact CB-CG2 4.34Å; D130-V145 WeakPolarHBondContact O-CG2 3.31Å; D130-I146 HydrophobicContact CB-CD1 4.49Å
131R96.7Very high96.5Very high104 Ų10473.7 Ų73.739%0.39242%0.421SS..Hα-helixtrans-70.2-41.1178-174.3173.4-70.6167.23.5111.8E79 V80 G128 L129 A134 I135 I142E79-R131 WeakPolarHBondContact O-CD 3.14Å; E79-R131 PolarHBondContact O-NH1 3.26Å; V80-R131 HydrophobicContact CG1-CG 4.5Å; G128-R131 PolarHBondContact O-N 3.39Å; G128-R131 VanDerWaalsContact O-N 3.11Å; L129-R131 VanDerWaalsContact C-N 3.26Å; L129-R131 PolarHBondContact O-N 3.45Å; R131-A134 PolarHBondContact O-N 3.14Å; R131-I135 HydrophobicContact CG-CD1 4.08Å; R131-I135 WeakPolarHBondContact O-CG1 3.36Å; R131-I135 PolarHBondContact O-N 2.84Å; R131-I142 HydrophobicContact CB-CG2 4.47Å
132L96.8Very high96.5Very high27 Ų2772.6 Ų72.614%0.14141%0.408CS..Hα-helixtrans-60.4-47.9177-173.167.3000110.8F24 V80 G128 L129 I135 F136F24-L132 HydrophobicContact CE1-CD1 4.36Å; F24-L132 HydrophobicContact CZ-CD1 4.37Å; V80-L132 HydrophobicContact CB-CD1 4.18Å; V80-L132 HydrophobicContact CG1-CD1 4.26Å; V80-L132 HydrophobicContact CG2-CD1 4.39Å; G128-L132 PolarHBondContact O-N 3.42Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 3.38Å; L129-L132 VanDerWaalsContact O-N 3.16Å; L132-I135 PolarHBondContact O-N 2.94Å; L132-F136 HydrophobicContact CD1-CE1 3.84Å; L132-F136 HydrophobicContact CD1-CE2 4.09Å; L132-F136 HydrophobicContact CD1-CZ 3.55Å; L132-F136 HydrophobicContact CD2-CE2 4.08Å; L132-F136 HydrophobicContact CD2-CZ 4.22Å; L132-F136 HydrophobicContact CG-CD2 4.29Å; L132-F136 HydrophobicContact CG-CE1 4.31Å; L132-F136 HydrophobicContact CG-CE2 3.72Å; L132-F136 HydrophobicContact CG-CZ 3.74Å; L132-F136 VanDerWaalsContact O-CG 3.31Å; L132-F136 WeakPolarHBondContact O-CG 3.33Å; L132-F136 PolarHBondContact O-N 3.1Å
133I97.6Very high96.4Very high64 Ų6474.5 Ų74.533%0.32841%0.412SS..Hα-helixtrans-64.5-42.4176.8-59.8-58.1000110.9L129 I135 F136 V137 V145L129-I133 HydrophobicContact CD1-CD1 4.36Å; L129-I133 HydrophobicContact CD1-CG1 4.06Å; L129-I133 HydrophobicContact CG-CG1 4.42Å; L129-I133 WeakPolarHBondContact O-CG1 3.44Å; L129-I133 PolarHBondContact O-N 3.3Å; I133-I135 VanDerWaalsContact C-N 3.28Å; I133-I135 PolarHBondContact O-N 3.23Å; I133-F136 HydrophobicContact CD1-CD2 4.38Å; I133-F136 PolarHBondContact O-N 3.42Å; I133-F136 VanDerWaalsContact O-N 3.09Å; I133-V137 HydrophobicContact CG2-CG1 4.38Å; I133-V137 WeakPolarHBondContact O-CG2 3.35Å; I133-V137 PolarHBondContact O-N 2.89Å; I133-V145 HydrophobicContact CB-CB 4.4Å; I133-V145 HydrophobicContact CB-CG2 4.41Å; I133-V145 HydrophobicContact CG2-CB 3.87Å; I133-V145 HydrophobicContact CG2-CG1 3.86Å; I133-V145 HydrophobicContact CG2-CG2 4.41Å
134A97.2Very high96.3Very high8 Ų877.5 Ų77.57%0.06642%0.417CS..Hα-helixtrans-58.4-39.8176.700000112.4D130 R131 N138 A139 I142 V145D130-A134 WeakPolarHBondContact O-CB 3.32Å; D130-A134 PolarHBondContact O-N 3.42Å; R131-A134 PolarHBondContact O-N 3.14Å; A134-N138 CarbonylContact O-C 3.57Å; A134-N138 WeakPolarHBondContact O-CA 3.48Å; A134-N138 PolarHBondContact O-N 2.87Å; A134-N138 VanDerWaalsContact O-N 3.09Å; A134-A139 HydrophobicContact CB-CB 4.05Å; A134-A139 PolarHBondContact O-N 3.19Å; A134-I142 HydrophobicContact CB-CG2 4.16Å; A134-V145 HydrophobicContact CB-CG1 4.26Å; A134-V145 HydrophobicContact CB-CG2 4.23Å
135I95.6Very high96.3Very high20 Ų2077.7 Ų77.710%0.10341%0.411CS..Hα-helixtrans-66.5-45174.1-68.9163.6000110.5F22 C75 Q78 V80 R131 L132 I133 V137 N138F22-I135 HydrophobicContact CD1-CG2 3.95Å; F22-I135 HydrophobicContact CE1-CG2 4.03Å; C75-I135 HydrophobicContact CB-CD1 4.35Å; Q78-I135 HydrophobicContact CB-CD1 4.04Å; V80-I135 HydrophobicContact CG1-CD1 3.39Å; R131-I135 HydrophobicContact CG-CD1 4.08Å; R131-I135 WeakPolarHBondContact O-CG1 3.36Å; R131-I135 PolarHBondContact O-N 2.84Å; L132-I135 PolarHBondContact O-N 2.94Å; I133-I135 VanDerWaalsContact C-N 3.28Å; I133-I135 PolarHBondContact O-N 3.23Å; I135-V137 VanDerWaalsContact C-N 3.32Å; I135-V137 PolarHBondContact O-N 2.8Å; I135-N138 PolarHBondContact O-N 2.9Å
136F95.8Very high96.3Very high88 Ų8876.9 Ų76.939%0.38641%0.407SS..Hα-helixtrans-62.1-36.7-178.2-70.7-11.2000114F22 F24 L132 I133F22-F136 AromaticContact CD1-CD1 3.94Å; F22-F136 HydrophobicContact CD1-CD1 3.94Å; F22-F136 HydrophobicContact CD1-CE1 4.24Å; F22-F136 HydrophobicContact CD2-CD1 4.36Å; F22-F136 HydrophobicContact CD2-CE1 4.38Å; F22-F136 AromaticContact CE1-CD1 3.63Å; F22-F136 HydrophobicContact CE1-CD1 3.63Å; F22-F136 HydrophobicContact CE1-CE1 4.37Å; F22-F136 HydrophobicContact CE2-CD1 4.06Å; F22-F136 HydrophobicContact CE2-CE1 4.47Å; F22-F136 HydrophobicContact CG-CD1 4.31Å; F22-F136 HydrophobicContact CG-CE1 4.27Å; F22-F136 HydrophobicContact CZ-CB 4.28Å; F22-F136 AromaticContact CZ-CD1 3.7Å; F22-F136 HydrophobicContact CZ-CD1 3.7Å; F22-F136 HydrophobicContact CZ-CE1 4.48Å; F22-F136 HydrophobicContact CZ-CG 4.33Å; F24-F136 HydrophobicContact CZ-CE1 4.02Å; F24-F136 HydrophobicContact CZ-CZ 4.28Å; L132-F136 HydrophobicContact CD1-CE1 3.84Å; L132-F136 HydrophobicContact CD1-CE2 4.09Å; L132-F136 HydrophobicContact CD1-CZ 3.55Å; L132-F136 HydrophobicContact CD2-CE2 4.08Å; L132-F136 HydrophobicContact CD2-CZ 4.22Å; L132-F136 HydrophobicContact CG-CD2 4.29Å; L132-F136 HydrophobicContact CG-CE1 4.31Å; L132-F136 HydrophobicContact CG-CE2 3.72Å; L132-F136 HydrophobicContact CG-CZ 3.74Å; L132-F136 VanDerWaalsContact O-CG 3.31Å; L132-F136 WeakPolarHBondContact O-CG 3.33Å; L132-F136 PolarHBondContact O-N 3.1Å; I133-F136 HydrophobicContact CD1-CD2 4.38Å; I133-F136 PolarHBondContact O-N 3.42Å; I133-F136 VanDerWaalsContact O-N 3.09Å
137V96.2Very high96.3Very high94 Ų9477.8 Ų77.857%0.5741%0.414SS*.THydrogen-bonded Turntrans-97.15.7178.9-50.40000113.1I133 I135 A139 V145I133-V137 HydrophobicContact CG2-CG1 4.38Å; I133-V137 WeakPolarHBondContact O-CG2 3.35Å; I133-V137 PolarHBondContact O-N 2.89Å; I135-V137 VanDerWaalsContact C-N 3.32Å; I135-V137 PolarHBondContact O-N 2.8Å; V137-A139 HydrophobicContact CG2-CB 3.8Å; V137-A139 PolarHBondContact O-N 3.41Å; V137-V145 HydrophobicContact CG2-CG1 3.71Å
138N94.1Very high96.2Very high146 Ų14679.5 Ų79.578%0.78142%0.418SS*.THydrogen-bonded Turntrans5241.3-175.2-166.333.8000113.1A134 I135A134-N138 CarbonylContact O-C 3.57Å; A134-N138 WeakPolarHBondContact O-CA 3.48Å; A134-N138 PolarHBondContact O-N 2.87Å; A134-N138 VanDerWaalsContact O-N 3.09Å; I135-N138 PolarHBondContact O-N 2.9Å
139A95.7Very high96.1Very high26 Ų2680.1 Ų80.122%0.21542%0.416CS..  trans-70.3142.8176.100000111.1A134 V137 S141 D144 V145A134-A139 HydrophobicContact CB-CB 4.05Å; A134-A139 PolarHBondContact O-N 3.19Å; V137-A139 HydrophobicContact CG2-CB 3.8Å; V137-A139 PolarHBondContact O-N 3.41Å; A139-S141 VanDerWaalsContact C-N 3.32Å; A139-D144 HydrophobicContact CB-CB 4.11Å; A139-V145 HydrophobicContact CB-CG1 3.97Å
140K93.6Very high96Very high212 Ų21279.2 Ų79.292%0.92241%0.407SS*.SBendtrans-74.1-26.9176.7-67.2-176.3180178.80112.1
141S94.7Very high95.7Very high34 Ų3476.8 Ų76.824%0.23840%0.397CS..SBendtrans-138.9146.9178.5-167.70000110.6A139 R143 D144A139-S141 VanDerWaalsContact C-N 3.32Å; S141-R143 PolarHBondContact O-N 3.3Å; S141-R143 VanDerWaalsContact O-N 3.11Å; S141-R143 PolarHBondContact OG-N 3.42Å; S141-R143 PolarHBondContact OG-NE 3.04Å; S141-D144 PolarHBondContact N-OD2 3.37Å; S141-D144 WeakPolarHBondContact O-CB 3.47Å; S141-D144 PolarHBondContact O-N 3.12Å
142I96Very high95.3Very high78 Ų7877.1 Ų77.140%0.441%0.413SS..G310 helixtrans-58.5-21.316862.2172000112.4D130 R131 A134 D144 V145 I146D130-I142 HydrophobicContact CB-CB 4.24Å; D130-I142 HydrophobicContact CB-CG2 4.5Å; R131-I142 HydrophobicContact CB-CG2 4.47Å; A134-I142 HydrophobicContact CB-CG2 4.16Å; I142-D144 PolarHBondContact O-N 3.02Å; I142-V145 WeakPolarHBondContact O-CG2 3.28Å; I142-V145 PolarHBondContact O-N 2.67Å; I142-I146 WeakPolarHBondContact O-CD1 3.41Å; I142-I146 WeakPolarHBondContact O-CG1 3.39Å
143R95.2Very high94.9Very high112 Ų11279.5 Ų79.542%0.42344%0.444SS..G310 helixtrans-66-25.1175.6-66.4-176-69.3170.4-3112.5S141 V145 I146 P149 K150S141-R143 PolarHBondContact O-N 3.3Å; S141-R143 VanDerWaalsContact O-N 3.11Å; S141-R143 PolarHBondContact OG-N 3.42Å; S141-R143 PolarHBondContact OG-NE 3.04Å; R143-V145 PolarHBondContact O-N 3.42Å; R143-I146 PolarHBondContact O-N 3.32Å; R143-P149 HydrophobicContact CB-CB 3.6Å; R143-P149 HydrophobicContact CB-CG 4.02Å; R143-P149 HydrophobicContact CG-CB 3.75Å; R143-P149 WeakPolarHBondContact O-CG 3.5Å; R143-K150 WeakPolarHBondContact CD-O 3.39Å
144D96Very high94.7Very high110 Ų11078.7 Ų78.759%0.58845%0.451SS*.G310 helixtrans-78.5-7.6-179.3-53.8-31.9000112.3A139 S141 I142A139-D144 HydrophobicContact CB-CB 4.11Å; S141-D144 PolarHBondContact N-OD2 3.37Å; S141-D144 WeakPolarHBondContact O-CB 3.47Å; S141-D144 PolarHBondContact O-N 3.12Å; I142-D144 PolarHBondContact O-N 3.02Å
145V97.2Very high94.4Very high41 Ų4184.5 Ų84.525%0.24848%0.475CS..G310 helixtrans-112.65.7176.9-55.90000113D130 I133 A134 V137 A139 I142 R143D130-V145 HydrophobicContact CB-CG2 4.34Å; D130-V145 WeakPolarHBondContact O-CG2 3.31Å; I133-V145 HydrophobicContact CB-CB 4.4Å; I133-V145 HydrophobicContact CB-CG2 4.41Å; I133-V145 HydrophobicContact CG2-CB 3.87Å; I133-V145 HydrophobicContact CG2-CG1 3.86Å; I133-V145 HydrophobicContact CG2-CG2 4.41Å; A134-V145 HydrophobicContact CB-CG1 4.26Å; A134-V145 HydrophobicContact CB-CG2 4.23Å; V137-V145 HydrophobicContact CG2-CG1 3.71Å; A139-V145 HydrophobicContact CB-CG1 3.97Å; I142-V145 WeakPolarHBondContact O-CG2 3.28Å; I142-V145 PolarHBondContact O-N 2.67Å; R143-V145 PolarHBondContact O-N 3.42Å
146I97.5Very high94.3Very high61 Ų6184.3 Ų84.331%0.31347%0.474SS..SBendtrans-111.3133.2176.6-63.6166000107.5D130 I142 R143 F148 P149D130-I146 HydrophobicContact CB-CD1 4.49Å; I142-I146 WeakPolarHBondContact O-CD1 3.41Å; I142-I146 WeakPolarHBondContact O-CG1 3.39Å; R143-I146 PolarHBondContact O-N 3.32Å; I146-F148 PolarHBondContact O-N 3.02Å; I146-P149 HydrophobicContact CB-CB 4.19Å; I146-P149 HydrophobicContact CG2-CB 4.23Å; I146-P149 WeakPolarHBondContact O-CD 3.45Å
147A96.6Very high94.1Very high88 Ų8887.1 Ų87.173%0.72749%0.492SS*.SBendtrans-62.4-41.9-176.500000113.5
148F95.7Very high93.9Very high137 Ų13788.9 Ų88.960%0.60150%0.498SS*.SBendtrans-131.370.1-179.6-57.7-76.1000111I146 K150 L158I146-F148 PolarHBondContact O-N 3.02Å; F148-K150 PolarHBondContact O-NZ 3.27Å; F148-K150 VanDerWaalsContact O-NZ 3.11Å; F148-L158 HydrophobicContact CD1-CD2 3.8Å; F148-L158 HydrophobicContact CE1-CD2 3.9Å
149P95.8Very high93.8Very high48 Ų4886 Ų8631%0.31249%0.488SS..PPolyproline II helixtrans-69.7154.1-173.931.5-34.5000111R143 I146R143-P149 HydrophobicContact CB-CB 3.6Å; R143-P149 HydrophobicContact CB-CG 4.02Å; R143-P149 HydrophobicContact CG-CB 3.75Å; R143-P149 WeakPolarHBondContact O-CG 3.5Å; I146-P149 HydrophobicContact CB-CB 4.19Å; I146-P149 HydrophobicContact CG2-CB 4.23Å; I146-P149 WeakPolarHBondContact O-CD 3.45Å
150K94.5Very high93.6Very high92 Ų9287.1 Ų87.140%0.450%0.503SS..PPolyproline II helixtrans-91.1147.5173.9-54.7-65.3172.9-100.40110.7R143 F148 D156R143-K150 WeakPolarHBondContact CD-O 3.39Å; F148-K150 PolarHBondContact O-NZ 3.27Å; F148-K150 VanDerWaalsContact O-NZ 3.11Å; K150-D156 HydrophobicContact CD-CB 3.68Å; K150-D156 WeakPolarHBondContact CE-OD2 3.5Å; K150-D156 IonicContact NZ-OD2 3.82Å; K150-D156 PolarHBondContact NZ-OD2 3.14Å
151A91.5Very high93.5Very high22 Ų2279.6 Ų79.618%0.18248%0.475CS..PPolyproline II helixtrans-72.2163.6172.100000110.8G153 G154 K155 L157A151-G153 PolarHBondContact O-N 3.29Å; A151-G154 PolarHBondContact O-N 2.89Å; A151-K155 PolarHBondContact N-O 2.77Å; A151-L157 HydrophobicContact CB-CD1 4.07Å; A151-L157 HydrophobicContact CB-CD2 4.4Å; A151-L157 HydrophobicContact CB-CG 4.03Å
152P88Confident93.5Very high112 Ų11283 Ų8373%0.72750%0.496SS*.THydrogen-bonded Turntrans-50.5130.9169.1-25.135.1000110.4
153G88.9Confident93.3Very high77 Ų7783.7 Ų83.779%0.79450%0.504SS*.THydrogen-bonded Turntrans89.610.4-171.900000115.1A151 K155A151-G153 PolarHBondContact O-N 3.29Å; G153-K155 VanDerWaalsContact C-N 3.27Å; G153-K155 PolarHBondContact O-N 3.35Å
154G92Very high93Very high47 Ų4785.9 Ų85.949%0.48552%0.521SS..SBendtrans76.87.4170.500000115.1A151A151-G154 PolarHBondContact O-N 2.89Å
155K91.6Very high92.9Very high130 Ų13084 Ų8457%0.56551%0.513SS*.  trans-80136.7-178.4-61.2-174.4179.3-176.50111.6A151 G153 T161A151-K155 PolarHBondContact N-O 2.77Å; G153-K155 VanDerWaalsContact C-N 3.27Å; G153-K155 PolarHBondContact O-N 3.35Å; K155-T161 CarbonylContact C-O 3.58Å; K155-T161 VanDerWaalsContact CA-O 3.24Å; K155-T161 WeakPolarHBondContact CA-O 3.43Å
156D93.4Very high92.6Very high16 Ų1687.7 Ų87.79%0.08653%0.531CS..BIsolated β-bridgetrans-90.7114.5166.7-163.4-38.5000109.5K150 L158 C159 G160 T161K150-D156 HydrophobicContact CD-CB 3.68Å; K150-D156 WeakPolarHBondContact CE-OD2 3.5Å; K150-D156 IonicContact NZ-OD2 3.82Å; K150-D156 PolarHBondContact NZ-OD2 3.14Å; D156-L158 VanDerWaalsContact C-N 3.31Å; D156-L158 WeakPolarHBondContact OD1-CB 3.46Å; D156-L158 PolarHBondContact OD1-N 3.16Å; D156-C159 PolarHBondContact OD1-N 3.12Å; D156-G160 VanDerWaalsContact O-CA 3.25Å; D156-G160 WeakPolarHBondContact O-CA 3.38Å; D156-G160 PolarHBondContact O-N 3.3Å; D156-T161 WeakPolarHBondContact CB-OG1 3.38Å; D156-T161 PolarHBondContact N-O 2.88Å; D156-T161 PolarHBondContact O-N 3.47Å
157L91Very high92.4Very high146 Ų14691 Ų9176%0.76455%0.549SS*.THydrogen-bonded Turntrans-76.2-21.2-179.1-60.9178.2000112.8A151A151-L157 HydrophobicContact CB-CD1 4.07Å; A151-L157 HydrophobicContact CB-CD2 4.4Å; A151-L157 HydrophobicContact CB-CG 4.03Å
158L92.9Very high92.3Very high131 Ų13193.8 Ų93.869%0.68655%0.548SS*.THydrogen-bonded Turntrans-77.2-47.4179.4179.865.3000110.7F148 D156F148-L158 HydrophobicContact CD1-CD2 3.8Å; F148-L158 HydrophobicContact CE1-CD2 3.9Å; D156-L158 VanDerWaalsContact C-N 3.31Å; D156-L158 WeakPolarHBondContact OD1-CB 3.46Å; D156-L158 PolarHBondContact OD1-N 3.16Å
159C92.2Very high92.3Very high86 Ų8690.8 Ų90.858%0.58154%0.537SS*.THydrogen-bonded Turntrans-97-10.5-176.1-60.50000113.7D156 T161D156-C159 PolarHBondContact OD1-N 3.12Å; C159-T161 HydrophobicContact CB-CG2 4Å
160G90.5Very high92.2Very high50 Ų5089.8 Ų89.852%0.51553%0.529SS..THydrogen-bonded Turntrans71.927.3-177.400000114.1D156 T163D156-G160 VanDerWaalsContact O-CA 3.25Å; D156-G160 WeakPolarHBondContact O-CA 3.38Å; D156-G160 PolarHBondContact O-N 3.3Å; G160-T163 WeakPolarHBondContact O-CG2 3.36Å
161T92.9Very high92.2Very high54 Ų5489 Ų8933%0.33154%0.535SS..BIsolated β-bridgetrans-96.5157.3-17863.50000112K155 D156 C159 T163K155-T161 CarbonylContact C-O 3.58Å; K155-T161 VanDerWaalsContact CA-O 3.24Å; K155-T161 WeakPolarHBondContact CA-O 3.43Å; D156-T161 WeakPolarHBondContact CB-OG1 3.38Å; D156-T161 PolarHBondContact N-O 2.88Å; D156-T161 PolarHBondContact O-N 3.47Å; C159-T161 HydrophobicContact CB-CG2 4Å; T161-T163 HydrophobicContact CG2-CG2 4.26Å
162P93.6Very high92.5Very high105 Ų10594.2 Ų94.268%0.68256%0.556SS**SBendcis-67.2150.1-6.229.6-35.4000112.8
163T91.5Very high92.8Very high93 Ų9396.6 Ų96.657%0.57155%0.551SS**  trans-115.6168.4177.473.60000110.6G160 T161G160-T163 WeakPolarHBondContact O-CG2 3.36Å; T161-T163 HydrophobicContact CG2-CG2 4.26Å
164M90.3Very high93.1Very high157 Ų15798.8 Ų98.877%0.77355%0.553SS**  trans-68.6149.1165.2-66.3-60.6-65.800110.1
165V92.5Very high93.3Very high70 Ų70101.1 Ų101.142%0.42455%0.553SS.*  trans-112.1144.8174-179.80000107.4I169V165-I169 HydrophobicContact CG1-CB 3.78Å; V165-I169 HydrophobicContact CG1-CD1 4.05Å; V165-I169 HydrophobicContact CG1-CG1 4.49Å; V165-I169 HydrophobicContact CG1-CG2 3.77Å
166D92.8Very high93.2Very high119 Ų119100.1 Ų100.164%0.63656%0.563SS**  trans-65143.3-179.1-64.4-30.6000112.2E168 I169 L170D166-E168 PolarHBondContact O-N 3.03Å; D166-I169 PolarHBondContact O-N 3.08Å; D166-L170 PolarHBondContact O-N 3.37Å; D166-L170 VanDerWaalsContact O-N 3.11Å
167D92.4Very high93Very high130 Ų130103.7 Ų103.770%0.69559%0.585SS**Hα-helixtrans-59.5-29.5179.8-70.1-30.5000112.4L170 S171D167-L170 PolarHBondContact O-N 3.12Å; D167-S171 WeakPolarHBondContact O-CB 3.49Å; D167-S171 PolarHBondContact O-N 2.91Å
168E94.4Very high92.9Very high148 Ų148100.8 Ų100.869%0.69258%0.577SS**Hα-helixtrans-61.9-43.6174.8-172174.7-173.800111.3D166 S171 Q172D166-E168 PolarHBondContact O-N 3.03Å; E168-S171 PolarHBondContact O-N 3.13Å; E168-S171 PolarHBondContact O-OG 3.39Å; E168-Q172 WeakPolarHBondContact O-CG 3.34Å; E168-Q172 PolarHBondContact O-N 2.94Å
169I94.8Very high92.3Very high73 Ų73100.9 Ų100.937%0.37458%0.578SS.*Hα-helixtrans-67.3-44.9176.3-62.8173.9000109.9V165 D166 S171 Q172 Y173V165-I169 HydrophobicContact CG1-CB 3.78Å; V165-I169 HydrophobicContact CG1-CD1 4.05Å; V165-I169 HydrophobicContact CG1-CG1 4.49Å; V165-I169 HydrophobicContact CG1-CG2 3.77Å; D166-I169 PolarHBondContact O-N 3.08Å; I169-S171 PolarHBondContact O-N 2.89Å; I169-Q172 WeakPolarHBondContact O-CB 3.37Å; I169-Q172 PolarHBondContact O-N 3.03Å; I169-Q172 VanDerWaalsContact O-N 3.12Å; I169-Y173 HydrophobicContact CG2-CD2 4.36Å; I169-Y173 HydrophobicContact CG2-CE2 3.95Å; I169-Y173 VanDerWaalsContact O-CD2 3.25Å; I169-Y173 WeakPolarHBondContact O-CD2 3.23Å
170L95.1Very high91Very high28 Ų28104.4 Ų104.415%0.14759%0.586CS.*Hα-helixtrans-58.7-38.3178.6-68175.4000112D166 D167 Q172 Y173 C174 I175 V177D166-L170 PolarHBondContact O-N 3.37Å; D166-L170 VanDerWaalsContact O-N 3.11Å; D167-L170 PolarHBondContact O-N 3.12Å; L170-Q172 VanDerWaalsContact C-N 3.29Å; L170-Q172 PolarHBondContact O-N 3.45Å; L170-Y173 PolarHBondContact O-N 2.94Å; L170-Y173 VanDerWaalsContact O-N 3.14Å; L170-C174 PolarHBondContact O-N 3.11Å; L170-I175 HydrophobicContact CD2-CB 4.45Å; L170-I175 HydrophobicContact CD2-CG2 4.21Å; L170-I175 PolarHBondContact O-N 2.93Å; L170-V177 HydrophobicContact CD1-CG2 3.87Å
171S94.4Very high89.3Confident75 Ų75109.7 Ų109.752%0.52460%0.602SS.*Hα-helixtrans-63-33.3178.378.90000113.1D167 E168 I169 Y173 C174D167-S171 WeakPolarHBondContact O-CB 3.49Å; D167-S171 PolarHBondContact O-N 2.91Å; E168-S171 PolarHBondContact O-N 3.13Å; E168-S171 PolarHBondContact O-OG 3.39Å; I169-S171 PolarHBondContact O-N 2.89Å; S171-Y173 PolarHBondContact O-N 2.95Å; S171-C174 PolarHBondContact O-N 3.31Å
172Q96.5Very high86.9Confident132 Ų132116.3 Ų116.362%0.61763%0.626SS**Hα-helixtrans-63.6-29.8176.7-64.7172.111.100112.3E168 I169 L170E168-Q172 WeakPolarHBondContact O-CG 3.34Å; E168-Q172 PolarHBondContact O-N 2.94Å; I169-Q172 WeakPolarHBondContact O-CB 3.37Å; I169-Q172 PolarHBondContact O-N 3.03Å; I169-Q172 VanDerWaalsContact O-N 3.12Å; L170-Q172 VanDerWaalsContact C-N 3.29Å; L170-Q172 PolarHBondContact O-N 3.45Å
173Y96.2Very high84.1Confident162 Ų162120 Ų12064%0.63566%0.655SS**THydrogen-bonded Turntrans-94.44.3176.2-61.8-79.6000113.1I169 L170 S171 I175I169-Y173 HydrophobicContact CG2-CD2 4.36Å; I169-Y173 HydrophobicContact CG2-CE2 3.95Å; I169-Y173 VanDerWaalsContact O-CD2 3.25Å; I169-Y173 WeakPolarHBondContact O-CD2 3.23Å; L170-Y173 PolarHBondContact O-N 2.94Å; L170-Y173 VanDerWaalsContact O-N 3.14Å; S171-Y173 PolarHBondContact O-N 2.95Å; Y173-I175 PolarHBondContact O-N 3.01Å
174C95.2Very high83.7Confident122 Ų122121.4 Ų121.482%0.82466%0.659SS**THydrogen-bonded Turntrans55.635.4-173.3-60.10000113L170 S171L170-C174 PolarHBondContact O-N 3.11Å; S171-C174 PolarHBondContact O-N 3.31Å
175I94.9Very high83.4Confident96 Ų96119.5 Ų119.549%0.49265%0.653SS.*  trans-104.4140.5179.5-63.1172.7000109L170 Y173L170-I175 HydrophobicContact CD2-CB 4.45Å; L170-I175 HydrophobicContact CD2-CG2 4.21Å; L170-I175 PolarHBondContact O-N 2.93Å; Y173-I175 PolarHBondContact O-N 3.01Å
176S90.3Very high82.9Confident109 Ų109122.3 Ų122.376%0.76267%0.666SS**  trans-130145167.964.20000110.3
177V89.6Confident82.3Confident91 Ų91122.5 Ų122.555%0.55267%0.667SS**  trans-85.6118.4179.8-178.10000109.3L170L170-V177 HydrophobicContact CD1-CG2 3.87Å
178S87.7Confident81.6Confident85 Ų85122 Ų12259%0.59467%0.666SS**  trans-86.1120.8170.661.80000110.4H180S178-H180 PolarHBondContact O-N 3.27Å; S178-H180 VanDerWaalsContact O-N 3.08Å
179N79.6Confident80.8Confident134 Ų134120.3 Ų120.372%0.71766%0.664SS**  trans-77.493.9173.4-84.1-36.9000109.8N181N179-N181 PolarHBondContact O-N 3.19Å
180H65.9Low79.8Confident160 Ų160123.6 Ų123.674%0.74169%0.685SS**  trans-77.55.4178.2-101.4-54.5000115.4S178S178-H180 PolarHBondContact O-N 3.27Å; S178-H180 VanDerWaalsContact O-N 3.08Å
181N54.4Low78.6Confident160 Ų160131 Ų13186%0.85673%0.726SS**  trans-120.744.7-177.6-75.9-18.3000114.4N179N179-N181 PolarHBondContact O-N 3.19Å
182K43.5Very low77.3Confident194 Ų194135.7 Ų135.784%0.84374%0.743SS**  trans-118.672.9159.6-76.8-173179.4179.30109.5
183S33.9Very low75.6Confident183 Ų183136 Ų136100%1.2875%0.754SS**  trans-156.90163.658.40000109.4

Retrieved 183 of 183 residues in 175.5 ms (Link to these results)

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