A0A087XX60_POEFO Loading...

Large ribosomal subunit protein uL6

AlphaFold DB , UniProt , Accession A0A087XX60, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 192 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
1M85.3Confident92.4Very high227 Ų22783.5 Ų83.5100%1.11844%0.441SS*.  0130.10-167.6177-168.400108.5
2K90.1Very high92.1Very high126 Ų12677.9 Ų77.955%0.54841%0.412SS..  trans-93.1123.1172.5-73.7-174.1176.9-176.10108.3W61 N63K2-W61 HydrophobicContact CB-CE3 4.39Å; K2-N63 WeakPolarHBondContact CG-OD1 3.38Å
3T93.4Very high91.9Very high60 Ų6076.3 Ų76.337%0.36841%0.409SS..EExtended strand (participates in β ladder)trans-78.1128.2176.9-55.70000108.5W61 G62 L67T3-W61 CarbonylContact O-C 3.43Å; T3-W61 WeakPolarHBondContact O-CA 3.49Å; T3-W61 PolarHBondContact O-N 3.3Å; T3-G62 PolarHBondContact N-O 2.6Å; T3-G62 VanDerWaalsContact N-O 3.13Å; T3-G62 PolarHBondContact O-N 3.29Å; T3-L67 WeakPolarHBondContact OG1-CD1 3.48Å
4I94.1Very high91.4Very high101 Ų10179.6 Ų79.652%0.51843%0.427SS..EExtended strand (participates in β ladder)trans-60.4-51.1-173.8-61.6175.1000110.7W60 W61I4-W60 HydrophobicContact CG2-CZ3 4.43Å; I4-W60 CarbonylContact O-C 3.51Å; I4-W60 WeakPolarHBondContact O-CA 3.41Å; I4-W61 HydrophobicContact CD1-CH2 4.36Å; I4-W61 HydrophobicContact CG1-CE3 4.31Å; I4-W61 HydrophobicContact CG1-CH2 3.83Å; I4-W61 HydrophobicContact CG1-CZ2 4.49Å; I4-W61 HydrophobicContact CG1-CZ3 3.73Å; I4-W61 HydrophobicContact CG2-CH2 4.34Å; I4-W61 HydrophobicContact CG2-CZ2 4.18Å; I4-W61 PolarHBondContact O-N 2.93Å
5L94.1Very high91Very high69 Ų6983.3 Ų83.336%0.36145%0.446SS..EExtended strand (participates in β ladder)trans-139.5134.3178.4177.662.1000109.8E58 W60L5-E58 HydrophobicContact CD1-CB 4.25Å; L5-W60 HydrophobicContact CB-CE3 4.02Å; L5-W60 HydrophobicContact CB-CH2 4.33Å; L5-W60 HydrophobicContact CB-CZ3 3.82Å; L5-W60 HydrophobicContact CD1-CD2 3.82Å; L5-W60 HydrophobicContact CD1-CE3 3.96Å; L5-W60 HydrophobicContact CD1-CG 4.48Å; L5-W60 HydrophobicContact CD1-CH2 3.93Å; L5-W60 HydrophobicContact CD1-CZ2 3.77Å; L5-W60 HydrophobicContact CD1-CZ3 4.02Å; L5-W60 HydrophobicContact CD2-CH2 3.83Å; L5-W60 HydrophobicContact CD2-CZ2 4.27Å; L5-W60 HydrophobicContact CD2-CZ3 4.18Å; L5-W60 HydrophobicContact CG-CE3 4.49Å; L5-W60 HydrophobicContact CG-CH2 4.25Å; L5-W60 HydrophobicContact CG-CZ3 4.22Å
6S93.9Very high91Very high35 Ų3578.9 Ų78.925%0.24542%0.423CS..EExtended strand (participates in β ladder)trans-130.7126.9163.5-176.30000108.8K59S6-K59 PolarHBondContact N-O 3.35Å; S6-K59 PolarHBondContact O-N 2.82Å
7S93.5Very high91Very high56 Ų5680.8 Ų80.839%0.39243%0.429SS..EExtended strand (participates in β ladder)trans-134.3146.1-177.659.60000110.9V57S7-V57 VanDerWaalsContact CA-O 3.29Å; S7-V57 WeakPolarHBondContact CA-O 3.46Å
8Q94.5Very high91.1Very high77 Ų7776.8 Ų76.836%0.3641%0.408SS..EExtended strand (participates in β ladder)trans-136.7149.7169-74.1-168.3-10.200109.7R56 V57 V70 C74Q8-R56 WeakPolarHBondContact O-CA 3.42Å; Q8-V57 PolarHBondContact N-O 2.9Å; Q8-V57 PolarHBondContact O-N 3.32Å; Q8-V70 HydrophobicContact CB-CG1 4.1Å; Q8-V70 HydrophobicContact CG-CG1 4.18Å; Q8-C74 VanDerWaalsContact CB-SG 3.6Å
9T93.1Very high91.1Very high65 Ų6579.9 Ų79.940%0.39941%0.414SS..EExtended strand (participates in β ladder)trans-116.7140.3177.6540000110.4L55 R56T9-L55 CarbonylContact C-O 3.43Å; T9-L55 VanDerWaalsContact CA-O 3.3Å; T9-L55 WeakPolarHBondContact CA-O 3.4Å; T9-R56 HydrophobicContact CG2-CB 4.03Å; T9-R56 HydrophobicContact CG2-CG 3.8Å
10V93.1Very high91.1Very high2 Ų278.2 Ų78.21%0.01241%0.405CS..EExtended strand (participates in β ladder)trans-111.2124.5169.7178.50000107.8K54 L55 C74 Q78 I81V10-K54 CarbonylContact O-C 3.55Å; V10-K54 WeakPolarHBondContact O-CA 3.35Å; V10-L55 HydrophobicContact CB-CB 4.42Å; V10-L55 PolarHBondContact N-O 2.92Å; V10-L55 PolarHBondContact O-N 2.99Å; V10-C74 HydrophobicContact CG2-CB 3.57Å; V10-Q78 HydrophobicContact CG1-CG 3.67Å; V10-Q78 HydrophobicContact CG2-CG 4.33Å; V10-I81 HydrophobicContact CG1-CD1 4.12Å
11D90.8Very high91.2Very high100 Ų10081.7 Ų81.754%0.53542%0.417SS..EExtended strand (participates in β ladder)trans-75.7135173.9-59.7-51.2000110.2K54D11-K54 WeakPolarHBondContact OD1-CD 3.34Å; D11-K54 WeakPolarHBondContact OD1-CE 3.47Å; D11-K54 WeakPolarHBondContact OD1-CG 3.26Å; D11-K54 IonicContact OD1-NZ 3.13Å; D11-K54 PolarHBondContact OD1-NZ 3.18Å
12L89.9Confident91.4Very high17 Ų1774 Ų749%0.08940%0.395CS..  trans-104.2123.2-178.5-60.6179.3000109V18 L47 Q52 K53 L55 I81L12-V18 HydrophobicContact CD1-CB 3.85Å; L12-V18 HydrophobicContact CD1-CG2 3.73Å; L12-V18 HydrophobicContact CD2-CG2 3.66Å; L12-V18 HydrophobicContact CG-CG2 4.28Å; L12-L47 HydrophobicContact CD1-CD2 3.86Å; L12-Q52 VanDerWaalsContact CD1-O 3.26Å; L12-Q52 WeakPolarHBondContact CD1-O 3.41Å; L12-K53 WeakPolarHBondContact CB-O 3.34Å; L12-K53 PolarHBondContact N-O 2.88Å; L12-L55 HydrophobicContact CD1-CB 4.37Å; L12-I81 HydrophobicContact CD2-CD1 3.33Å; L12-I81 HydrophobicContact CD2-CG1 4.31Å
13P88.8Confident91.5Very high57 Ų5771.4 Ų71.437%0.3738%0.382SS..  trans-70.6151.5176.129.8-33.7000110.6N15 V16 I81P13-N15 PolarHBondContact O-N 2.97Å; P13-N15 VanDerWaalsContact O-N 3.1Å; P13-V16 HydrophobicContact CG-CB 4.15Å; P13-V16 HydrophobicContact CG-CG2 3.88Å; P13-V16 PolarHBondContact O-N 3.19Å; P13-V16 VanDerWaalsContact O-N 3.15Å; P13-I81 HydrophobicContact CG-CG2 3.74Å
14D85.3Confident91.5Very high123 Ų12369.7 Ų69.766%0.65837%0.372SS*.THydrogen-bonded Turntrans-64.3-19.9-174.8-69.9-21.4000113.2V16 K53D14-V16 VanDerWaalsContact C-N 3.25Å; D14-V16 PolarHBondContact O-N 2.93Å; D14-K53 WeakPolarHBondContact OD1-CE 3.3Å; D14-K53 IonicContact OD1-NZ 3.75Å; D14-K53 PolarHBondContact OD1-NZ 3.37Å; D14-K53 IonicContact OD2-NZ 3.7Å; D14-K53 PolarHBondContact OD2-NZ 3.29Å; D14-K53 VanDerWaalsContact OD2-NZ 3.13Å
15N85.9Confident91.5Very high135 Ų13564.9 Ų64.972%0.72235%0.347SS*.THydrogen-bonded Turntrans-81.43.6179.2-63.8-16000114.1P13P13-N15 PolarHBondContact O-N 2.97Å; P13-N15 VanDerWaalsContact O-N 3.1Å
16V90.6Very high91.6Very high13 Ų1362.4 Ų62.48%0.07933%0.334CS..  trans-131.5127.1-173.6178.60000110.9P13 D14 V18 V27 K28 I81 V84 T85P13-V16 HydrophobicContact CG-CB 4.15Å; P13-V16 HydrophobicContact CG-CG2 3.88Å; P13-V16 PolarHBondContact O-N 3.19Å; P13-V16 VanDerWaalsContact O-N 3.15Å; D14-V16 VanDerWaalsContact C-N 3.25Å; D14-V16 PolarHBondContact O-N 2.93Å; V16-V18 HydrophobicContact CG1-CG2 4.2Å; V16-V27 HydrophobicContact CG1-CG1 3.43Å; V16-V27 VanDerWaalsContact CG1-CG1 3.43Å; V16-K28 WeakPolarHBondContact CA-O 3.01Å; V16-K28 WeakPolarHBondContact CG1-O 3.44Å; V16-I81 HydrophobicContact CG1-CG1 4.43Å; V16-I81 HydrophobicContact CG2-CG2 4.22Å; V16-V84 HydrophobicContact CG1-CG2 4.19Å; V16-V84 HydrophobicContact CG2-CG2 4.19Å; V16-T85 HydrophobicContact CG2-CG2 3.27Å
17E90.8Very high91.6Very high111 Ų11160.7 Ų60.752%0.51932%0.322SS..EExtended strand (participates in β ladder)trans-93.7125.2171-69.7-173.2-173.300110.4R19 K28E17-R19 IonicContact OE2-NE 3.94Å; E17-R19 IonicContact OE2-NH2 3.43Å; E17-R19 PolarHBondContact OE2-NH2 3.42Å; E17-K28 HydrophobicContact CB-CB 4.31Å; E17-K28 PolarHBondContact N-O 2.92Å; E17-K28 PolarHBondContact O-N 3.43Å
18V91.9Very high91.7Very high8 Ų862 Ų625%0.04832%0.321CS..EExtended strand (participates in β ladder)trans-111.8126.7172.5-177.30000109.8L12 V16 V25 I26 V27 L47L12-V18 HydrophobicContact CD1-CB 3.85Å; L12-V18 HydrophobicContact CD1-CG2 3.73Å; L12-V18 HydrophobicContact CD2-CG2 3.66Å; L12-V18 HydrophobicContact CG-CG2 4.28Å; V16-V18 HydrophobicContact CG1-CG2 4.2Å; V18-V25 HydrophobicContact CG1-CG1 3.99Å; V18-I26 WeakPolarHBondContact CA-O 3.48Å; V18-V27 HydrophobicContact CG2-CG1 4.36Å; V18-V27 HydrophobicContact CG2-CG2 4.3Å; V18-L47 HydrophobicContact CB-CD2 4.45Å; V18-L47 HydrophobicContact CG1-CD2 4.28Å; V18-L47 WeakPolarHBondContact O-CD1 2.79Å
19R91.9Very high91.6Very high137 Ų13759.3 Ų59.352%0.51731%0.314SS..EExtended strand (participates in β ladder)trans-117.9137.1173.1-59.9-173.1-172-165.30.7109.8E17 I26E17-R19 IonicContact OE2-NE 3.94Å; E17-R19 IonicContact OE2-NH2 3.43Å; E17-R19 PolarHBondContact OE2-NH2 3.42Å; R19-I26 HydrophobicContact CB-CB 4.36Å; R19-I26 PolarHBondContact N-O 2.88Å; R19-I26 PolarHBondContact O-N 2.97Å
20L91.7Very high91.6Very high45 Ų4561 Ų6124%0.23633%0.326CS..EExtended strand (participates in β ladder)trans-105.3131.1173.6-63179.4000109.9V25 L45 L47 L55L20-V25 HydrophobicContact CD2-CB 4.33Å; L20-V25 HydrophobicContact CD2-CG1 4.29Å; L20-V25 HydrophobicContact CD2-CG2 3.76Å; L20-L45 HydrophobicContact CD1-CB 3.87Å; L20-L45 HydrophobicContact CD2-CB 4.33Å; L20-L45 HydrophobicContact CD2-CD1 4.23Å; L20-L47 HydrophobicContact CD1-CD1 4.2Å; L20-L47 HydrophobicContact CD1-CD2 4.49Å; L20-L47 HydrophobicContact CD1-CG 3.72Å; L20-L47 HydrophobicContact CG-CD1 3.99Å; L20-L47 HydrophobicContact CG-CG 3.99Å; L20-L55 HydrophobicContact CD1-CD1 3.75Å; L20-L55 HydrophobicContact CD2-CD1 3.95Å; L20-L55 HydrophobicContact CG-CD1 4.24Å
21K91.8Very high91.5Very high151 Ų15164.7 Ų64.766%0.65734%0.34SS*.EExtended strand (participates in β ladder)trans-120.790.1166.9-69.8-171.1177.5-170.30108R23 T24 I26K21-R23 PolarHBondContact O-N 2.99Å; K21-T24 PolarHBondContact N-O 3.33Å; K21-T24 WeakPolarHBondContact O-CB 3.48Å; K21-T24 PolarHBondContact O-N 2.86Å; K21-I26 HydrophobicContact CD-CD1 4.08Å; K21-I26 HydrophobicContact CG-CD1 4.36Å
22G89.9Confident91.6Very high65 Ų6561.5 Ų61.567%0.6733%0.331SS*.THydrogen-bonded Turntrans59-118.6-167.900000110.5
23R91.9Very high91.9Very high72 Ų7266.1 Ų66.127%0.27235%0.35SS..THydrogen-bonded Turntrans-95.213.6176.3-67.2178.7-71.2175.4-5.6114.1K21 F38 N39 I41 N42K21-R23 PolarHBondContact O-N 2.99Å; R23-F38 PolarHBondContact O-N 3.14Å; R23-N39 VanDerWaalsContact CZ-O 3.3Å; R23-N39 PolarHBondContact NH1-O 2.79Å; R23-N39 PolarHBondContact NH2-O 3.26Å; R23-I41 WeakPolarHBondContact CD-O 3.47Å; R23-I41 PolarHBondContact NH1-O 2.78Å; R23-N42 PolarHBondContact NH1-OD1 2.85Å
24T94.4Very high92.2Very high24 Ų2464.5 Ų64.515%0.14734%0.338CS..EExtended strand (participates in β ladder)trans-97120.8173.8-53.80000109.8K21 I26 R36 E37K21-T24 PolarHBondContact N-O 3.33Å; K21-T24 WeakPolarHBondContact O-CB 3.48Å; K21-T24 PolarHBondContact O-N 2.86Å; T24-I26 HydrophobicContact CG2-CG1 4.34Å; T24-R36 WeakPolarHBondContact CA-O 3.44Å; T24-E37 HydrophobicContact CG2-CG 3.85Å
25V94.5Very high92.7Very high0 Ų063 Ų630%033%0.334CS..EExtended strand (participates in β ladder)trans-98125.4177.9-173.70000108.9V18 L20 V27 R36 F38 L45 V77V18-V25 HydrophobicContact CG1-CG1 3.99Å; L20-V25 HydrophobicContact CD2-CB 4.33Å; L20-V25 HydrophobicContact CD2-CG1 4.29Å; L20-V25 HydrophobicContact CD2-CG2 3.76Å; V25-V27 HydrophobicContact CG1-CG2 3.9Å; V25-R36 PolarHBondContact N-O 2.98Å; V25-R36 PolarHBondContact O-N 2.96Å; V25-F38 HydrophobicContact CB-CE2 4.21Å; V25-F38 HydrophobicContact CG2-CD2 3.86Å; V25-F38 HydrophobicContact CG2-CE2 3.71Å; V25-L45 HydrophobicContact CG2-CD1 3.75Å; V25-V77 HydrophobicContact CG1-CG2 4.26Å; V25-V77 HydrophobicContact CG2-CG2 4.4Å
26I95.1Very high93.1Very high17 Ų1759.2 Ų59.29%0.08731%0.309CS..EExtended strand (participates in β ladder)trans-117115.6176.8-58.2179.1000107.5V18 R19 K21 T24 K33 T35V18-I26 WeakPolarHBondContact CA-O 3.48Å; R19-I26 HydrophobicContact CB-CB 4.36Å; R19-I26 PolarHBondContact N-O 2.88Å; R19-I26 PolarHBondContact O-N 2.97Å; K21-I26 HydrophobicContact CD-CD1 4.08Å; K21-I26 HydrophobicContact CG-CD1 4.36Å; T24-I26 HydrophobicContact CG2-CG1 4.34Å; I26-K33 HydrophobicContact CG2-CD 4.28Å; I26-K33 HydrophobicContact CG2-CG 4.2Å; I26-T35 HydrophobicContact CB-CG2 4.43Å; I26-T35 HydrophobicContact CG1-CG2 4.01Å; I26-T35 HydrophobicContact CG2-CG2 4.08Å
27V95.1Very high93.3Very high0 Ų064.6 Ų64.60%033%0.333CS..EExtended strand (participates in β ladder)trans-110.5126.1179.3-173.50000108.4V16 V18 V25 K33 L34 M80 I81 V84V16-V27 HydrophobicContact CG1-CG1 3.43Å; V16-V27 VanDerWaalsContact CG1-CG1 3.43Å; V18-V27 HydrophobicContact CG2-CG1 4.36Å; V18-V27 HydrophobicContact CG2-CG2 4.3Å; V25-V27 HydrophobicContact CG1-CG2 3.9Å; V27-K33 CarbonylContact O-C 3.56Å; V27-K33 WeakPolarHBondContact O-CA 3.36Å; V27-L34 PolarHBondContact N-O 3.23Å; V27-L34 PolarHBondContact O-N 2.96Å; V27-M80 HydrophobicContact CB-CB 4.42Å; V27-M80 HydrophobicContact CB-CE 4.31Å; V27-M80 HydrophobicContact CG2-CB 3.98Å; V27-M80 HydrophobicContact CG2-CE 3.83Å; V27-M80 HydrophobicContact CG2-SD 4.38Å; V27-I81 HydrophobicContact CG1-CG1 4.2Å; V27-V84 HydrophobicContact CG1-CG1 4.38Å; V27-V84 HydrophobicContact CG1-CG2 3.68Å
28K94.6Very high93.5Very high82 Ų8259.4 Ų59.436%0.35731%0.309SS..EExtended strand (participates in β ladder)trans-118.7133.3174.6-71.9-177.7174.8-170.80109.4V16 E17 K33V16-K28 WeakPolarHBondContact CA-O 3.01Å; V16-K28 WeakPolarHBondContact CG1-O 3.44Å; E17-K28 HydrophobicContact CB-CB 4.31Å; E17-K28 PolarHBondContact N-O 2.92Å; E17-K28 PolarHBondContact O-N 3.43Å; K28-K33 HydrophobicContact CG-CB 4.11Å; K28-K33 HydrophobicContact CG-CD 4.18Å; K28-K33 HydrophobicContact CG-CG 3.78Å
29G92.8Very high93.5Very high22 Ų2262.6 Ų62.623%0.22733%0.326CS..EExtended strand (participates in β ladder)trans-147.8-170.817600000111.2R31 G32G29-R31 VanDerWaalsContact C-N 3.31Å; G29-R31 PolarHBondContact O-N 2.78Å; G29-G32 PolarHBondContact N-O 2.84Å; G29-G32 PolarHBondContact O-N 2.84Å; G29-G32 VanDerWaalsContact O-O 3.1Å
30P92.5Very high93.5Very high100 Ų10063.1 Ų63.165%0.64933%0.334SS*.THydrogen-bonded Turntrans-62.4-34.7-173.923.8-34000113.4G32 V84P30-G32 VanDerWaalsContact C-N 3.32Å; P30-G32 PolarHBondContact O-N 2.82Å; P30-V84 VanDerWaalsContact CD-O 3.3Å; P30-V84 WeakPolarHBondContact CD-O 3.3Å; P30-V84 WeakPolarHBondContact CG-O 3.39Å
31R91.9Very high93.5Very high79 Ų7962.2 Ų62.230%0.29833%0.329SS..THydrogen-bonded Turntrans-84.1-4.2-179.2-58.5-179.765.2105.86.8114.2G29 V84 T85 L86 N149 V187G29-R31 VanDerWaalsContact C-N 3.31Å; G29-R31 PolarHBondContact O-N 2.78Å; R31-V84 VanDerWaalsContact CB-O 3.26Å; R31-V84 WeakPolarHBondContact CB-O 3.27Å; R31-V84 WeakPolarHBondContact CG-O 3.5Å; R31-V84 PolarHBondContact N-O 3.25Å; R31-T85 WeakPolarHBondContact CD-O 3.16Å; R31-L86 PolarHBondContact NH1-O 2.97Å; R31-L86 VanDerWaalsContact NH1-O 3.1Å; R31-N149 PolarHBondContact NE-OD1 2.79Å; R31-N149 PolarHBondContact O-ND2 2.94Å; R31-V187 VanDerWaalsContact NH1-CB 3.3Å
32G92.7Very high93.4Very high33 Ų3360.3 Ų60.334%0.3433%0.326SS..EExtended strand (participates in β ladder)trans134.6-151.4178.900000114G29 P30G29-G32 PolarHBondContact N-O 2.84Å; G29-G32 PolarHBondContact O-N 2.84Å; G29-G32 VanDerWaalsContact O-O 3.1Å; P30-G32 VanDerWaalsContact C-N 3.32Å; P30-G32 PolarHBondContact O-N 2.82Å
33K94.9Very high93.4Very high114 Ų11458.2 Ų58.250%0.49630%0.3SS..EExtended strand (participates in β ladder)trans-128.8134.2-172.1-179.2-174178.9-162.50110.5I26 V27 K28 T35I26-K33 HydrophobicContact CG2-CD 4.28Å; I26-K33 HydrophobicContact CG2-CG 4.2Å; V27-K33 CarbonylContact O-C 3.56Å; V27-K33 WeakPolarHBondContact O-CA 3.36Å; K28-K33 HydrophobicContact CG-CB 4.11Å; K28-K33 HydrophobicContact CG-CD 4.18Å; K28-K33 HydrophobicContact CG-CG 3.78Å; K33-T35 HydrophobicContact CD-CG2 4.47Å; K33-T35 HydrophobicContact CG-CG2 4.38Å
34L95.8Very high93.5Very high24 Ų2459.5 Ų59.513%0.12631%0.309CS..EExtended strand (participates in β ladder)trans-118.3141.6170.3-65.9176.7000110V27 M80 V84 N149 D150V27-L34 PolarHBondContact N-O 3.23Å; V27-L34 PolarHBondContact O-N 2.96Å; L34-M80 HydrophobicContact CB-CE 3.68Å; L34-M80 HydrophobicContact CD1-CB 4.3Å; L34-M80 HydrophobicContact CD1-CG 4.41Å; L34-V84 HydrophobicContact CB-CG1 4.27Å; L34-V84 HydrophobicContact CD1-CG1 3.9Å; L34-V84 HydrophobicContact CG-CG1 3.8Å; L34-N149 HydrophobicContact CD1-CB 4.5Å; L34-N149 HydrophobicContact CD2-CB 4.25Å; L34-D150 HydrophobicContact CD2-CB 4.15Å
35T95.8Very high93.4Very high91 Ų9159.5 Ų59.556%0.55831%0.307SS*.EExtended strand (participates in β ladder)trans-129.9129.5179.553.80000109.3I26 K33I26-T35 HydrophobicContact CB-CG2 4.43Å; I26-T35 HydrophobicContact CG1-CG2 4.01Å; I26-T35 HydrophobicContact CG2-CG2 4.08Å; K33-T35 HydrophobicContact CD-CG2 4.47Å; K33-T35 HydrophobicContact CG-CG2 4.38Å
36R95.1Very high93.2Very high55 Ų5560.8 Ų60.821%0.20832%0.317CS..EExtended strand (participates in β ladder)trans-140.2136.3179-169.8168-177153.86.8111.8T24 V25 F38 H76 M80 E152T24-R36 WeakPolarHBondContact CA-O 3.44Å; V25-R36 PolarHBondContact N-O 2.98Å; V25-R36 PolarHBondContact O-N 2.96Å; R36-F38 HydrophobicContact CB-CE2 4.3Å; R36-F38 HydrophobicContact CB-CZ 4.4Å; R36-F38 HydrophobicContact CG-CE1 4.23Å; R36-F38 HydrophobicContact CG-CE2 4.11Å; R36-F38 HydrophobicContact CG-CZ 3.84Å; R36-H76 PolarHBondContact NH1-ND1 3.03Å; R36-H76 PolarHBondContact NH2-CE1 3.43Å; R36-H76 VanDerWaalsContact NH2-CE1 3.27Å; R36-M80 HydrophobicContact CB-CE 3.77Å; R36-M80 HydrophobicContact CB-SD 3.7Å; R36-E152 IonicContact CZ-OE1 2.79Å; R36-E152 IonicContact CZ-OE2 3.52Å; R36-E152 IonicContact NH1-OE1 2.75Å; R36-E152 PolarHBondContact NH1-OE1 2.74Å; R36-E152 IonicContact NH1-OE2 3.45Å; R36-E152 PolarHBondContact NH1-OE2 3.44Å; R36-E152 VanDerWaalsContact NH2-CD 3.35Å; R36-E152 IonicContact NH2-OE1 3.2Å; R36-E152 PolarHBondContact NH2-OE1 3.3Å; R36-E152 IonicContact NH2-OE2 2.73Å; R36-E152 PolarHBondContact NH2-OE2 3.15Å
37E95.1Very high93Very high126 Ų12661.8 Ų61.859%0.58932%0.322SS*.EExtended strand (participates in β ladder)trans-103.5130.4-178.6-59.7-173.6-17800111.1T24T24-E37 HydrophobicContact CG2-CG 3.85Å
38F94.3Very high92.5Very high2 Ų264.4 Ų64.41%0.00934%0.336CS..  trans-113.428.7176.5-60.7-76.6000112.5R23 V25 R36 H40 I41 I73 H76R23-F38 PolarHBondContact O-N 3.14Å; V25-F38 HydrophobicContact CB-CE2 4.21Å; V25-F38 HydrophobicContact CG2-CD2 3.86Å; V25-F38 HydrophobicContact CG2-CE2 3.71Å; R36-F38 HydrophobicContact CB-CE2 4.3Å; R36-F38 HydrophobicContact CB-CZ 4.4Å; R36-F38 HydrophobicContact CG-CE1 4.23Å; R36-F38 HydrophobicContact CG-CE2 4.11Å; R36-F38 HydrophobicContact CG-CZ 3.84Å; F38-H40 PolarHBondContact O-N 3.18Å; F38-H40 VanDerWaalsContact O-N 3.14Å; F38-I41 HydrophobicContact CD1-CD1 4.45Å; F38-I41 PolarHBondContact O-N 3.3Å; F38-I73 HydrophobicContact CB-CD1 4.47Å; F38-I73 HydrophobicContact CD1-CD1 4.21Å; F38-I73 HydrophobicContact CD1-CG1 3.91Å; F38-I73 HydrophobicContact CD2-CG2 4.45Å; F38-I73 HydrophobicContact CE1-CG1 4.01Å; F38-I73 HydrophobicContact CE1-CG2 4.46Å; F38-I73 HydrophobicContact CE2-CG2 4.25Å; F38-I73 HydrophobicContact CG-CD1 4.35Å; F38-I73 HydrophobicContact CG-CG1 4.41Å; F38-I73 HydrophobicContact CZ-CG2 4.24Å; F38-H76 HydrophobicContact CE1-CB 4.21Å; F38-H76 HydrophobicContact CZ-CB 3.91Å
39N92.6Very high91.7Very high76 Ų7663.4 Ų63.441%0.40635%0.348SS..THydrogen-bonded Turntrans-61.2-23.8-176.9-70.5-30.8000114.1R23 I41R23-N39 VanDerWaalsContact CZ-O 3.3Å; R23-N39 PolarHBondContact NH1-O 2.79Å; R23-N39 PolarHBondContact NH2-O 3.26Å; N39-I41 PolarHBondContact O-N 2.87Å
40H91.3Very high90.2Very high148 Ų14873.1 Ų73.169%0.68538%0.384SS*.THydrogen-bonded Turntrans-73.3-14.2177.263.2-78.8000113.4F38F38-H40 PolarHBondContact O-N 3.18Å; F38-H40 VanDerWaalsContact O-N 3.14Å
41I91.3Very high89Confident26 Ų2676.6 Ų76.613%0.13339%0.389CS..SBendtrans-114.9124.7-178.4-39.9176.8000109.4R23 F38 N39 L43 T69 I73R23-I41 WeakPolarHBondContact CD-O 3.47Å; R23-I41 PolarHBondContact NH1-O 2.78Å; F38-I41 HydrophobicContact CD1-CD1 4.45Å; F38-I41 PolarHBondContact O-N 3.3Å; N39-I41 PolarHBondContact O-N 2.87Å; I41-L43 HydrophobicContact CB-CD2 3.67Å; I41-L43 HydrophobicContact CG2-CD2 3.33Å; I41-L43 HydrophobicContact CG2-CG 4.48Å; I41-L43 PolarHBondContact O-N 2.99Å; I41-T69 HydrophobicContact CG2-CG2 4.13Å; I41-T69 WeakPolarHBondContact CG2-OG1 3.44Å; I41-I73 HydrophobicContact CD1-CD1 3.86Å; I41-I73 HydrophobicContact CD1-CG1 4.12Å
42N90Very high88.1Confident111 Ų11177.8 Ų77.859%0.59440%0.398SS*.  trans-86.399.1-179.5-71-12000110.7R23 K59R23-N42 PolarHBondContact NH1-OD1 2.85Å; N42-K59 VanDerWaalsContact O-CD 3.27Å; N42-K59 WeakPolarHBondContact O-CD 3.34Å; N42-K59 PolarHBondContact O-NZ 3.13Å
43L90.8Very high87.7Confident21 Ų2180.6 Ų80.611%0.1140%0.401CS..  trans-157.7168.4179.856.3101.1000111.1I41 L45 V57 E58 I73I41-L43 HydrophobicContact CB-CD2 3.67Å; I41-L43 HydrophobicContact CG2-CD2 3.33Å; I41-L43 HydrophobicContact CG2-CG 4.48Å; I41-L43 PolarHBondContact O-N 2.99Å; L43-L45 HydrophobicContact CD1-CD1 4.42Å; L43-L45 HydrophobicContact CD1-CD2 3.44Å; L43-L45 VanDerWaalsContact CD1-CD2 3.44Å; L43-L45 HydrophobicContact CD1-CG 3.63Å; L43-V57 HydrophobicContact CD1-CG1 3.93Å; L43-E58 WeakPolarHBondContact CB-O 3.49Å; L43-I73 HydrophobicContact CD1-CD1 3.84Å; L43-I73 HydrophobicContact CD2-CD1 3.05Å; L43-I73 HydrophobicContact CD2-CG1 4.5Å; L43-I73 HydrophobicContact CG-CD1 4.03Å
44E92.2Very high87.4Confident99 Ų9979.4 Ų79.446%0.46340%0.396SS..EExtended strand (participates in β ladder)trans-104.8131.3-179.5-169.5172.2176.400110.3E58E44-E58 HydrophobicContact CB-CB 4.44Å; E44-E58 PolarHBondContact N-O 2.84Å; E44-E58 PolarHBondContact O-N 3.1Å
45L92.4Very high87.2Confident23 Ų2378.3 Ų78.312%0.1239%0.39CS..EExtended strand (participates in β ladder)trans-114.7122.9174-62.8179.3000108.3L20 V25 L43 R56 V57 I73L20-L45 HydrophobicContact CD1-CB 3.87Å; L20-L45 HydrophobicContact CD2-CB 4.33Å; L20-L45 HydrophobicContact CD2-CD1 4.23Å; V25-L45 HydrophobicContact CG2-CD1 3.75Å; L43-L45 HydrophobicContact CD1-CD1 4.42Å; L43-L45 HydrophobicContact CD1-CD2 3.44Å; L43-L45 VanDerWaalsContact CD1-CD2 3.44Å; L43-L45 HydrophobicContact CD1-CG 3.63Å; L45-R56 WeakPolarHBondContact CA-O 3.42Å; L45-V57 HydrophobicContact CD2-CB 4.14Å; L45-V57 HydrophobicContact CD2-CG1 3.93Å; L45-V57 HydrophobicContact CD2-CG2 3.7Å; L45-I73 HydrophobicContact CD2-CG2 4.25Å
46S91.5Very high87.1Confident28 Ų2878.1 Ų78.120%0.19638%0.379CS..EExtended strand (participates in β ladder)trans-129.5138.217856.50000111R56S46-R56 PolarHBondContact N-O 2.9Å; S46-R56 PolarHBondContact O-N 2.87Å
47L89.6Confident87Confident38 Ų3875.5 Ų75.520%0.19937%0.369CS..EExtended strand (participates in β ladder)trans-92.4124.3169.7-72169.3000108.3L12 V18 L20 Q52 L55L12-L47 HydrophobicContact CD1-CD2 3.86Å; V18-L47 HydrophobicContact CB-CD2 4.45Å; V18-L47 HydrophobicContact CG1-CD2 4.28Å; V18-L47 WeakPolarHBondContact O-CD1 2.79Å; L20-L47 HydrophobicContact CD1-CD1 4.2Å; L20-L47 HydrophobicContact CD1-CD2 4.49Å; L20-L47 HydrophobicContact CD1-CG 3.72Å; L20-L47 HydrophobicContact CG-CD1 3.99Å; L20-L47 HydrophobicContact CG-CG 3.99Å; L47-Q52 HydrophobicContact CB-CB 4.12Å; L47-Q52 HydrophobicContact CB-CG 4Å; L47-Q52 HydrophobicContact CD1-CB 4.44Å; L47-Q52 HydrophobicContact CD1-CG 4.36Å; L47-L55 HydrophobicContact CD2-CB 4.21Å; L47-L55 HydrophobicContact CD2-CD1 3.76Å; L47-L55 HydrophobicContact CG-CD1 4.31Å
48L85.2Confident87Confident55 Ų5570.4 Ų70.429%0.28835%0.345SS..EExtended strand (participates in β ladder)trans-114.3151-175.3-65.7171.2000112Q52 K53 K54 R56L48-Q52 CarbonylContact O-C 3.6Å; L48-Q52 WeakPolarHBondContact O-CA 3.41Å; L48-K53 PolarHBondContact O-N 3.15Å; L48-K54 HydrophobicContact CB-CB 4.49Å; L48-K54 PolarHBondContact N-O 3Å; L48-K54 PolarHBondContact O-N 3.19Å; L48-R56 HydrophobicContact CD1-CB 3.55Å; L48-R56 HydrophobicContact CD1-CG 4.19Å; L48-R56 HydrophobicContact CG-CB 4.3Å
49G77.1Confident87Confident60 Ų6071.5 Ų71.562%0.61935%0.35SS*.SBendtrans95157.7175.500000113.9K51 Q52G49-K51 PolarHBondContact O-N 2.78Å; G49-Q52 PolarHBondContact O-N 2.86Å
50K63.1Low87.1Confident226 Ų22673.5 Ų73.598%0.98335%0.352SS*.THydrogen-bonded Turntrans-59.4-15.6-175.4-66.8-175.9177.4-178.50114.6
51K66.4Low87.3Confident173 Ų17373.7 Ų73.775%0.75235%0.347SS*.THydrogen-bonded Turntrans-128.922.6174.6-64.2-172.3177-175.40113G49 K53G49-K51 PolarHBondContact O-N 2.78Å; K51-K53 VanDerWaalsContact C-N 3.26Å; K51-K53 HydrophobicContact CB-CG 4.09Å; K51-K53 PolarHBondContact O-N 2.87Å
52Q73.5Confident87.3Confident105 Ų10572.5 Ų72.549%0.49134%0.341SS..  trans52.942.3-177.4-58.9179.7-27.100112.8L12 L47 L48 G49 K54L12-Q52 VanDerWaalsContact CD1-O 3.26Å; L12-Q52 WeakPolarHBondContact CD1-O 3.41Å; L47-Q52 HydrophobicContact CB-CB 4.12Å; L47-Q52 HydrophobicContact CB-CG 4Å; L47-Q52 HydrophobicContact CD1-CB 4.44Å; L47-Q52 HydrophobicContact CD1-CG 4.36Å; L48-Q52 CarbonylContact O-C 3.6Å; L48-Q52 WeakPolarHBondContact O-CA 3.41Å; G49-Q52 PolarHBondContact O-N 2.86Å; Q52-K54 VanDerWaalsContact C-N 3.26Å; Q52-K54 PolarHBondContact O-N 3.49Å
53K82.9Confident87.5Confident91 Ų9170.8 Ų70.840%0.39633%0.331SS..  trans-76.4-11.5-175.6-68.2-159175.1-1330113.7L12 D14 L48 K51L12-K53 WeakPolarHBondContact CB-O 3.34Å; L12-K53 PolarHBondContact N-O 2.88Å; D14-K53 WeakPolarHBondContact OD1-CE 3.3Å; D14-K53 IonicContact OD1-NZ 3.75Å; D14-K53 PolarHBondContact OD1-NZ 3.37Å; D14-K53 IonicContact OD2-NZ 3.7Å; D14-K53 PolarHBondContact OD2-NZ 3.29Å; D14-K53 VanDerWaalsContact OD2-NZ 3.13Å; L48-K53 PolarHBondContact O-N 3.15Å; K51-K53 VanDerWaalsContact C-N 3.26Å; K51-K53 HydrophobicContact CB-CG 4.09Å; K51-K53 PolarHBondContact O-N 2.87Å
54K89.4Confident87.7Confident90 Ų9080.6 Ų80.639%0.39137%0.367SS..EExtended strand (participates in β ladder)trans-132.7129.2-179.9-57.8-165.3-178-126.10110.5V10 D11 L48 Q52V10-K54 CarbonylContact O-C 3.55Å; V10-K54 WeakPolarHBondContact O-CA 3.35Å; D11-K54 WeakPolarHBondContact OD1-CD 3.34Å; D11-K54 WeakPolarHBondContact OD1-CE 3.47Å; D11-K54 WeakPolarHBondContact OD1-CG 3.26Å; D11-K54 IonicContact OD1-NZ 3.13Å; D11-K54 PolarHBondContact OD1-NZ 3.18Å; L48-K54 HydrophobicContact CB-CB 4.49Å; L48-K54 PolarHBondContact N-O 3Å; L48-K54 PolarHBondContact O-N 3.19Å; Q52-K54 VanDerWaalsContact C-N 3.26Å; Q52-K54 PolarHBondContact O-N 3.49Å
55L91.4Very high87.7Confident0 Ų084.7 Ų84.70%038%0.383CS..EExtended strand (participates in β ladder)trans-90.2120.6164.4178.972.2000108.2T9 V10 L12 L20 L47 V77T9-L55 CarbonylContact C-O 3.43Å; T9-L55 VanDerWaalsContact CA-O 3.3Å; T9-L55 WeakPolarHBondContact CA-O 3.4Å; V10-L55 HydrophobicContact CB-CB 4.42Å; V10-L55 PolarHBondContact N-O 2.92Å; V10-L55 PolarHBondContact O-N 2.99Å; L12-L55 HydrophobicContact CD1-CB 4.37Å; L20-L55 HydrophobicContact CD1-CD1 3.75Å; L20-L55 HydrophobicContact CD2-CD1 3.95Å; L20-L55 HydrophobicContact CG-CD1 4.24Å; L47-L55 HydrophobicContact CD2-CB 4.21Å; L47-L55 HydrophobicContact CD2-CD1 3.76Å; L47-L55 HydrophobicContact CG-CD1 4.31Å; L55-V77 HydrophobicContact CD2-CB 4.14Å; L55-V77 HydrophobicContact CD2-CG1 3.72Å; L55-V77 HydrophobicContact CD2-CG2 3.78Å
56R93.2Very high87.7Confident87 Ų8787.1 Ų87.133%0.32839%0.394SS..EExtended strand (participates in β ladder)trans-102.5134.7172.3-166-176.7-74.1169.9-0.9110.5Q8 T9 L45 S46 L48 E58Q8-R56 WeakPolarHBondContact O-CA 3.42Å; T9-R56 HydrophobicContact CG2-CB 4.03Å; T9-R56 HydrophobicContact CG2-CG 3.8Å; L45-R56 WeakPolarHBondContact CA-O 3.42Å; S46-R56 PolarHBondContact N-O 2.9Å; S46-R56 PolarHBondContact O-N 2.87Å; L48-R56 HydrophobicContact CD1-CB 3.55Å; L48-R56 HydrophobicContact CD1-CG 4.19Å; L48-R56 HydrophobicContact CG-CB 4.3Å; R56-E58 WeakPolarHBondContact CD-OE1 3.39Å; R56-E58 HydrophobicContact CG-CG 3.75Å; R56-E58 IonicContact CZ-OE1 2.9Å; R56-E58 IonicContact NE-OE1 3.26Å; R56-E58 IonicContact NH1-OE1 2.78Å; R56-E58 PolarHBondContact NH1-OE1 3.15Å
57V94.3Very high87.8Confident0 Ų087.8 Ų87.80%040%0.395CS..EExtended strand (participates in β ladder)trans-113.5118.1175.4-1730000106.6S7 Q8 L43 L45 V70 I73S7-V57 VanDerWaalsContact CA-O 3.29Å; S7-V57 WeakPolarHBondContact CA-O 3.46Å; Q8-V57 PolarHBondContact N-O 2.9Å; Q8-V57 PolarHBondContact O-N 3.32Å; L43-V57 HydrophobicContact CD1-CG1 3.93Å; L45-V57 HydrophobicContact CD2-CB 4.14Å; L45-V57 HydrophobicContact CD2-CG1 3.93Å; L45-V57 HydrophobicContact CD2-CG2 3.7Å; V57-V70 HydrophobicContact CB-CG1 4.2Å; V57-V70 HydrophobicContact CG1-CG1 3.98Å; V57-I73 HydrophobicContact CG1-CB 4.35Å; V57-I73 HydrophobicContact CG1-CG2 4.35Å; V57-I73 HydrophobicContact CG2-CG2 4.13Å
58E94.4Very high87.9Confident19 Ų1988.8 Ų88.89%0.08941%0.409CS..EExtended strand (participates in β ladder)trans-123.1140.2-177.4-57.1-168.7155.400111.4L5 L43 E44 R56L5-E58 HydrophobicContact CD1-CB 4.25Å; L43-E58 WeakPolarHBondContact CB-O 3.49Å; E44-E58 HydrophobicContact CB-CB 4.44Å; E44-E58 PolarHBondContact N-O 2.84Å; E44-E58 PolarHBondContact O-N 3.1Å; R56-E58 WeakPolarHBondContact CD-OE1 3.39Å; R56-E58 HydrophobicContact CG-CG 3.75Å; R56-E58 IonicContact CZ-OE1 2.9Å; R56-E58 IonicContact NE-OE1 3.26Å; R56-E58 IonicContact NH1-OE1 2.78Å; R56-E58 PolarHBondContact NH1-OE1 3.15Å
59K94.5Very high88.4Confident25 Ų2587.8 Ų87.811%0.10941%0.405CS..EExtended strand (participates in β ladder)trans-128.6119.6171.7179.963.3178.6-179.30109.7S6 N42 E66 V70S6-K59 PolarHBondContact N-O 3.35Å; S6-K59 PolarHBondContact O-N 2.82Å; N42-K59 VanDerWaalsContact O-CD 3.27Å; N42-K59 WeakPolarHBondContact O-CD 3.34Å; N42-K59 PolarHBondContact O-NZ 3.13Å; K59-E66 WeakPolarHBondContact CE-OE2 3.38Å; K59-E66 IonicContact NZ-OE2 2.73Å; K59-E66 PolarHBondContact NZ-OE2 3.47Å; K59-V70 HydrophobicContact CB-CG2 3.57Å
60W95Very high89.2Confident119 Ų11985 Ų8545%0.45138%0.376SS..EExtended strand (participates in β ladder)trans-88.5141.7172.6-6497.7000111.1I4 L5 G62I4-W60 HydrophobicContact CG2-CZ3 4.43Å; I4-W60 CarbonylContact O-C 3.51Å; I4-W60 WeakPolarHBondContact O-CA 3.41Å; L5-W60 HydrophobicContact CB-CE3 4.02Å; L5-W60 HydrophobicContact CB-CH2 4.33Å; L5-W60 HydrophobicContact CB-CZ3 3.82Å; L5-W60 HydrophobicContact CD1-CD2 3.82Å; L5-W60 HydrophobicContact CD1-CE3 3.96Å; L5-W60 HydrophobicContact CD1-CG 4.48Å; L5-W60 HydrophobicContact CD1-CH2 3.93Å; L5-W60 HydrophobicContact CD1-CZ2 3.77Å; L5-W60 HydrophobicContact CD1-CZ3 4.02Å; L5-W60 HydrophobicContact CD2-CH2 3.83Å; L5-W60 HydrophobicContact CD2-CZ2 4.27Å; L5-W60 HydrophobicContact CD2-CZ3 4.18Å; L5-W60 HydrophobicContact CG-CE3 4.49Å; L5-W60 HydrophobicContact CG-CH2 4.25Å; L5-W60 HydrophobicContact CG-CZ3 4.22Å; W60-G62 PolarHBondContact O-N 2.71Å
61W94.4Very high90.7Very high152 Ų15282.3 Ų82.358%0.57636%0.36SS*.EExtended strand (participates in β ladder)trans5238.8173.5-59.5104.3000114.4K2 T3 I4K2-W61 HydrophobicContact CB-CE3 4.39Å; T3-W61 CarbonylContact O-C 3.43Å; T3-W61 WeakPolarHBondContact O-CA 3.49Å; T3-W61 PolarHBondContact O-N 3.3Å; I4-W61 HydrophobicContact CD1-CH2 4.36Å; I4-W61 HydrophobicContact CG1-CE3 4.31Å; I4-W61 HydrophobicContact CG1-CH2 3.83Å; I4-W61 HydrophobicContact CG1-CZ2 4.49Å; I4-W61 HydrophobicContact CG1-CZ3 3.73Å; I4-W61 HydrophobicContact CG2-CH2 4.34Å; I4-W61 HydrophobicContact CG2-CZ2 4.18Å; I4-W61 PolarHBondContact O-N 2.93Å
62G92.5Very high92Very high0 Ų077.2 Ų77.20%034%0.343CS..EExtended strand (participates in β ladder)trans-76.9138.4-171.300000114.1T3 W60 E66T3-G62 PolarHBondContact N-O 2.6Å; T3-G62 VanDerWaalsContact N-O 3.13Å; T3-G62 PolarHBondContact O-N 3.29Å; W60-G62 PolarHBondContact O-N 2.71Å; G62-E66 WeakPolarHBondContact CA-OE2 3.29Å
63N94.1Very high93Very high75 Ų7572.2 Ų72.240%0.40132%0.32SS..  trans-80.5162.8164.5-74.7-14.9000111K2 K65 E66 L67K2-N63 WeakPolarHBondContact CG-OD1 3.38Å; N63-K65 VanDerWaalsContact C-N 3.26Å; N63-K65 PolarHBondContact O-N 2.88Å; N63-E66 HydrophobicContact CB-CG 4.43Å; N63-E66 PolarHBondContact N-OE2 3.01Å; N63-E66 WeakPolarHBondContact O-CA 3.48Å; N63-E66 WeakPolarHBondContact O-CB 3.47Å; N63-E66 PolarHBondContact O-N 3.13Å; N63-L67 WeakPolarHBondContact O-CG 3.49Å; N63-L67 PolarHBondContact O-N 3.34Å
64R93.5Very high93.6Very high228 Ų22868.1 Ų68.186%0.8630%0.302SS*.Hα-helixtrans-47-42.9-179.4-176.1179176.9-178.80.1114.4A68R64-A68 PolarHBondContact O-N 3.32Å
65K93Very high93.9Very high185 Ų18566 Ų6680%0.80430%0.299SS*.Hα-helixtrans-67.9-37.8178.5-68.4-174.7178.4-178.70112.4N63N63-K65 VanDerWaalsContact C-N 3.26Å; N63-K65 PolarHBondContact O-N 2.88Å
66E92.8Very high94.2Very high73 Ų7367.9 Ų67.934%0.34131%0.308SS..Hα-helixtrans-74.2-37.9-179.8-57.5-178.5156.500111.3K59 G62 N63 A68 T69K59-E66 WeakPolarHBondContact CE-OE2 3.38Å; K59-E66 IonicContact NZ-OE2 2.73Å; K59-E66 PolarHBondContact NZ-OE2 3.47Å; G62-E66 WeakPolarHBondContact CA-OE2 3.29Å; N63-E66 HydrophobicContact CB-CG 4.43Å; N63-E66 PolarHBondContact N-OE2 3.01Å; N63-E66 WeakPolarHBondContact O-CA 3.48Å; N63-E66 WeakPolarHBondContact O-CB 3.47Å; N63-E66 PolarHBondContact O-N 3.13Å; E66-A68 PolarHBondContact O-N 3.05Å; E66-T69 WeakPolarHBondContact O-CB 3.43Å; E66-T69 PolarHBondContact O-N 3.26Å; E66-T69 PolarHBondContact O-OG1 3.08Å
67L92.6Very high94.2Very high42 Ų4263.8 Ų63.822%0.2229%0.292CS..Hα-helixtrans-59.8-34.5175.7-64.8174.7000112.3T3 N63 T69 V70T3-L67 WeakPolarHBondContact OG1-CD1 3.48Å; N63-L67 WeakPolarHBondContact O-CG 3.49Å; N63-L67 PolarHBondContact O-N 3.34Å; L67-T69 PolarHBondContact O-N 3.2Å; L67-V70 PolarHBondContact O-N 3.23Å
68A93.4Very high94.2Very high59 Ų5968.5 Ų68.549%0.48831%0.314SS..Hα-helixtrans-61.3-33.717500000112.4R64 E66 V70 R71 T72R64-A68 PolarHBondContact O-N 3.32Å; E66-A68 PolarHBondContact O-N 3.05Å; A68-V70 VanDerWaalsContact C-N 3.28Å; A68-V70 PolarHBondContact O-N 3.41Å; A68-R71 PolarHBondContact O-N 3.35Å; A68-T72 PolarHBondContact O-N 3.4Å; A68-T72 PolarHBondContact O-OG1 3.21Å
69T94.4Very high94.3Very high34 Ų3470.2 Ų70.221%0.20932%0.324CS..Hα-helixtrans-68-26.1-178.270.50000113.4I41 E66 L67 R71 T72 I73I41-T69 HydrophobicContact CG2-CG2 4.13Å; I41-T69 WeakPolarHBondContact CG2-OG1 3.44Å; E66-T69 WeakPolarHBondContact O-CB 3.43Å; E66-T69 PolarHBondContact O-N 3.26Å; E66-T69 PolarHBondContact O-OG1 3.08Å; L67-T69 PolarHBondContact O-N 3.2Å; T69-R71 PolarHBondContact O-N 3.42Å; T69-T72 WeakPolarHBondContact O-CB 3.46Å; T69-T72 PolarHBondContact O-N 2.72Å; T69-I73 WeakPolarHBondContact O-CG1 3.43Å; T69-I73 PolarHBondContact O-N 2.68Å; T69-I73 VanDerWaalsContact O-N 3.08Å
70V94.1Very high94.4Very high1 Ų169.5 Ų69.51%0.00632%0.321CS..Hα-helixtrans-57.9-51.1177.6177.60000109.9Q8 V57 K59 L67 A68 I73 C74Q8-V70 HydrophobicContact CB-CG1 4.1Å; Q8-V70 HydrophobicContact CG-CG1 4.18Å; V57-V70 HydrophobicContact CB-CG1 4.2Å; V57-V70 HydrophobicContact CG1-CG1 3.98Å; K59-V70 HydrophobicContact CB-CG2 3.57Å; L67-V70 PolarHBondContact O-N 3.23Å; A68-V70 VanDerWaalsContact C-N 3.28Å; A68-V70 PolarHBondContact O-N 3.41Å; V70-I73 PolarHBondContact O-N 3.26Å; V70-C74 PolarHBondContact O-N 3.42Å; V70-C74 PolarHBondContact O-SG 2.92Å; V70-C74 VanDerWaalsContact O-SG 3.36Å
71R94.3Very high94.3Very high171 Ų17164.5 Ų64.565%0.64530%0.303SS*.Hα-helixtrans-67.6-37.8178.4-173.5175.4180173.30.5112.3A68 T69 I73 C74 S75A68-R71 PolarHBondContact O-N 3.35Å; T69-R71 PolarHBondContact O-N 3.42Å; R71-I73 VanDerWaalsContact C-N 3.27Å; R71-I73 PolarHBondContact O-N 3.33Å; R71-C74 WeakPolarHBondContact O-CB 3.3Å; R71-C74 PolarHBondContact O-N 3.32Å; R71-S75 PolarHBondContact O-N 3.27Å; R71-S75 PolarHBondContact O-OG 3.36Å
72T95.3Very high94.3Very high65 Ų6561.7 Ų61.740%0.39930%0.295SS..Hα-helixtrans-56.7-42.9177.7-57.10000111.6A68 T69 S75 H76A68-T72 PolarHBondContact O-N 3.4Å; A68-T72 PolarHBondContact O-OG1 3.21Å; T69-T72 WeakPolarHBondContact O-CB 3.46Å; T69-T72 PolarHBondContact O-N 2.72Å; T72-S75 PolarHBondContact O-N 3.01Å; T72-H76 WeakPolarHBondContact CG2-NE2 3.47Å; T72-H76 PolarHBondContact O-CD2 3.07Å; T72-H76 PolarHBondContact O-N 3.07Å
73I94.6Very high94.4Very high0 Ų061.7 Ų61.70%030%0.295CS..Hα-helixtrans-69.6-41.6178.3-66.5172.5000111.4F38 I41 L43 L45 V57 T69 V70 R71 S75 H76 V77F38-I73 HydrophobicContact CB-CD1 4.47Å; F38-I73 HydrophobicContact CD1-CD1 4.21Å; F38-I73 HydrophobicContact CD1-CG1 3.91Å; F38-I73 HydrophobicContact CD2-CG2 4.45Å; F38-I73 HydrophobicContact CE1-CG1 4.01Å; F38-I73 HydrophobicContact CE1-CG2 4.46Å; F38-I73 HydrophobicContact CE2-CG2 4.25Å; F38-I73 HydrophobicContact CG-CD1 4.35Å; F38-I73 HydrophobicContact CG-CG1 4.41Å; F38-I73 HydrophobicContact CZ-CG2 4.24Å; I41-I73 HydrophobicContact CD1-CD1 3.86Å; I41-I73 HydrophobicContact CD1-CG1 4.12Å; L43-I73 HydrophobicContact CD1-CD1 3.84Å; L43-I73 HydrophobicContact CD2-CD1 3.05Å; L43-I73 HydrophobicContact CD2-CG1 4.5Å; L43-I73 HydrophobicContact CG-CD1 4.03Å; L45-I73 HydrophobicContact CD2-CG2 4.25Å; V57-I73 HydrophobicContact CG1-CB 4.35Å; V57-I73 HydrophobicContact CG1-CG2 4.35Å; V57-I73 HydrophobicContact CG2-CG2 4.13Å; T69-I73 WeakPolarHBondContact O-CG1 3.43Å; T69-I73 PolarHBondContact O-N 2.68Å; T69-I73 VanDerWaalsContact O-N 3.08Å; V70-I73 PolarHBondContact O-N 3.26Å; R71-I73 VanDerWaalsContact C-N 3.27Å; R71-I73 PolarHBondContact O-N 3.33Å; I73-S75 PolarHBondContact O-N 2.89Å; I73-H76 PolarHBondContact O-N 3.17Å; I73-V77 HydrophobicContact CG2-CG2 4.3Å; I73-V77 WeakPolarHBondContact O-CG2 3.46Å; I73-V77 PolarHBondContact O-N 3.35Å
74C94.6Very high94.5Very high5 Ų558.1 Ų58.13%0.03428%0.276CS..Hα-helixtrans-54.5-45.4173-65.30000111Q8 V10 V70 R71 V77 Q78Q8-C74 VanDerWaalsContact CB-SG 3.6Å; V10-C74 HydrophobicContact CG2-CB 3.57Å; V70-C74 PolarHBondContact O-N 3.42Å; V70-C74 PolarHBondContact O-SG 2.92Å; V70-C74 VanDerWaalsContact O-SG 3.36Å; R71-C74 WeakPolarHBondContact O-CB 3.3Å; R71-C74 PolarHBondContact O-N 3.32Å; C74-V77 PolarHBondContact O-N 3.14Å; C74-Q78 WeakPolarHBondContact O-CB 3.3Å; C74-Q78 VanDerWaalsContact O-CG 3.3Å; C74-Q78 WeakPolarHBondContact O-CG 3.47Å; C74-Q78 PolarHBondContact O-N 2.92Å
75S96.4Very high94.4Very high46 Ų4649 Ų4932%0.32225%0.246SC..Hα-helixtrans-65.4-41176.8-61.70000113.1R71 T72 I73 V77 Q78 N79R71-S75 PolarHBondContact O-N 3.27Å; R71-S75 PolarHBondContact O-OG 3.36Å; T72-S75 PolarHBondContact O-N 3.01Å; I73-S75 PolarHBondContact O-N 2.89Å; S75-V77 PolarHBondContact O-N 3.41Å; S75-Q78 PolarHBondContact O-N 2.91Å; S75-N79 WeakPolarHBondContact O-CB 3.38Å; S75-N79 VanDerWaalsContact O-CG 3.31Å; S75-N79 PolarHBondContact O-N 3.13Å; S75-N79 PolarHBondContact O-ND2 3.38Å
76H95.9Very high94.5Very high40 Ų4041.9 Ų41.919%0.18522%0.216CC..Hα-helixtrans-62.1-43.2175.2-73.9-55.8000111.8R36 F38 T72 I73 N79 M80 E152R36-H76 PolarHBondContact NH1-ND1 3.03Å; R36-H76 PolarHBondContact NH2-CE1 3.43Å; R36-H76 VanDerWaalsContact NH2-CE1 3.27Å; F38-H76 HydrophobicContact CE1-CB 4.21Å; F38-H76 HydrophobicContact CZ-CB 3.91Å; T72-H76 WeakPolarHBondContact CG2-NE2 3.47Å; T72-H76 PolarHBondContact O-CD2 3.07Å; T72-H76 PolarHBondContact O-N 3.07Å; I73-H76 PolarHBondContact O-N 3.17Å; H76-N79 PolarHBondContact O-N 2.98Å; H76-M80 VanDerWaalsContact O-CG 3.3Å; H76-M80 WeakPolarHBondContact O-CG 3.4Å; H76-M80 PolarHBondContact O-N 3.33Å; H76-E152 IonicContact CE1-OE1 2.75Å; H76-E152 PolarHBondContact CE1-OE1 3.38Å; H76-E152 VanDerWaalsContact CE1-OE1 3.23Å; H76-E152 IonicContact ND1-OE1 3.28Å; H76-E152 PolarHBondContact ND1-OE1 3.01Å
77V94.4Very high94.6Very high0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-67.3-42.5178.1175.30000111.2V25 L55 I73 C74 S75 N79 M80 I81V25-V77 HydrophobicContact CG1-CG2 4.26Å; V25-V77 HydrophobicContact CG2-CG2 4.4Å; L55-V77 HydrophobicContact CD2-CB 4.14Å; L55-V77 HydrophobicContact CD2-CG1 3.72Å; L55-V77 HydrophobicContact CD2-CG2 3.78Å; I73-V77 HydrophobicContact CG2-CG2 4.3Å; I73-V77 WeakPolarHBondContact O-CG2 3.46Å; I73-V77 PolarHBondContact O-N 3.35Å; C74-V77 PolarHBondContact O-N 3.14Å; S75-V77 PolarHBondContact O-N 3.41Å; V77-N79 VanDerWaalsContact C-N 3.28Å; V77-N79 PolarHBondContact O-N 3.49Å; V77-M80 WeakPolarHBondContact O-CB 3.14Å; V77-M80 PolarHBondContact O-N 2.91Å; V77-M80 VanDerWaalsContact O-N 3.13Å; V77-I81 HydrophobicContact CG1-CD1 3.88Å; V77-I81 HydrophobicContact CG1-CG1 4.34Å; V77-I81 VanDerWaalsContact O-CG1 3.27Å; V77-I81 WeakPolarHBondContact O-CG1 3.27Å; V77-I81 PolarHBondContact O-N 3.23Å
78Q94.9Very high94.8Very high99 Ų9936.9 Ų36.946%0.46319%0.192SC..Hα-helixtrans-57.3-42.6173.8-76.6174-20.600111.8V10 C74 S75 I81 K82V10-Q78 HydrophobicContact CG1-CG 3.67Å; V10-Q78 HydrophobicContact CG2-CG 4.33Å; C74-Q78 WeakPolarHBondContact O-CB 3.3Å; C74-Q78 VanDerWaalsContact O-CG 3.3Å; C74-Q78 WeakPolarHBondContact O-CG 3.47Å; C74-Q78 PolarHBondContact O-N 2.92Å; S75-Q78 PolarHBondContact O-N 2.91Å; Q78-I81 PolarHBondContact O-N 3.14Å; Q78-K82 WeakPolarHBondContact O-CB 3.38Å; Q78-K82 PolarHBondContact O-N 3.42Å
79N96.1Very high94.9Very high55 Ų5537.1 Ų37.129%0.29418%0.18SC..Hα-helixtrans-66.4-39.1175.6-73.1-23.3000112.3S75 H76 V77 K82 G83 F88 I151S75-N79 WeakPolarHBondContact O-CB 3.38Å; S75-N79 VanDerWaalsContact O-CG 3.31Å; S75-N79 PolarHBondContact O-N 3.13Å; S75-N79 PolarHBondContact O-ND2 3.38Å; H76-N79 PolarHBondContact O-N 2.98Å; V77-N79 VanDerWaalsContact C-N 3.28Å; V77-N79 PolarHBondContact O-N 3.49Å; N79-K82 PolarHBondContact O-N 2.93Å; N79-G83 PolarHBondContact O-N 3.37Å; N79-F88 HydrophobicContact CB-CZ 4.3Å; N79-F88 WeakPolarHBondContact O-CE2 3.42Å; N79-F88 WeakPolarHBondContact O-CZ 3.35Å; N79-I151 HydrophobicContact CB-CG2 4.11Å
80M95.3Very high95Very high11 Ų1136.1 Ų36.15%0.05417%0.173CC..Hα-helixtrans-61.9-43.6174.3-71174.776.300111.5V27 L34 R36 H76 V77 G83 V84V27-M80 HydrophobicContact CB-CB 4.42Å; V27-M80 HydrophobicContact CB-CE 4.31Å; V27-M80 HydrophobicContact CG2-CB 3.98Å; V27-M80 HydrophobicContact CG2-CE 3.83Å; V27-M80 HydrophobicContact CG2-SD 4.38Å; L34-M80 HydrophobicContact CB-CE 3.68Å; L34-M80 HydrophobicContact CD1-CB 4.3Å; L34-M80 HydrophobicContact CD1-CG 4.41Å; R36-M80 HydrophobicContact CB-CE 3.77Å; R36-M80 HydrophobicContact CB-SD 3.7Å; H76-M80 VanDerWaalsContact O-CG 3.3Å; H76-M80 WeakPolarHBondContact O-CG 3.4Å; H76-M80 PolarHBondContact O-N 3.33Å; V77-M80 WeakPolarHBondContact O-CB 3.14Å; V77-M80 PolarHBondContact O-N 2.91Å; V77-M80 VanDerWaalsContact O-N 3.13Å; M80-G83 PolarHBondContact O-N 3.42Å; M80-V84 PolarHBondContact O-N 3.23Å
81I94.2Very high95.1Very high14 Ų1438.9 Ų38.97%0.07218%0.184CC..Hα-helixtrans-60.2-52176.3-66.7164.2000109.8V10 L12 P13 V16 V27 V77 Q78 G83 V84 T85V10-I81 HydrophobicContact CG1-CD1 4.12Å; L12-I81 HydrophobicContact CD2-CD1 3.33Å; L12-I81 HydrophobicContact CD2-CG1 4.31Å; P13-I81 HydrophobicContact CG-CG2 3.74Å; V16-I81 HydrophobicContact CG1-CG1 4.43Å; V16-I81 HydrophobicContact CG2-CG2 4.22Å; V27-I81 HydrophobicContact CG1-CG1 4.2Å; V77-I81 HydrophobicContact CG1-CD1 3.88Å; V77-I81 HydrophobicContact CG1-CG1 4.34Å; V77-I81 VanDerWaalsContact O-CG1 3.27Å; V77-I81 WeakPolarHBondContact O-CG1 3.27Å; V77-I81 PolarHBondContact O-N 3.23Å; Q78-I81 PolarHBondContact O-N 3.14Å; I81-G83 PolarHBondContact O-N 3.29Å; I81-V84 VanDerWaalsContact O-CG2 3.24Å; I81-V84 WeakPolarHBondContact O-CG2 3.25Å; I81-V84 PolarHBondContact O-N 2.73Å; I81-T85 WeakPolarHBondContact O-CG2 3.39Å; I81-T85 PolarHBondContact O-N 3.18Å; I81-T85 VanDerWaalsContact O-N 3.07Å; I81-T85 PolarHBondContact O-OG1 3.09Å
82K94.5Very high95.2Very high92 Ų9230.7 Ų30.740%0.415%0.154SC..Hα-helixtrans-58-37.8177.3-172.9171.2179.6172.60112.2Q78 N79 T85 L86 G87 F88 T186Q78-K82 WeakPolarHBondContact O-CB 3.38Å; Q78-K82 PolarHBondContact O-N 3.42Å; N79-K82 PolarHBondContact O-N 2.93Å; K82-T85 WeakPolarHBondContact CA-OG1 3.12Å; K82-T85 PolarHBondContact O-OG1 2.89Å; K82-L86 HydrophobicContact CG-CD1 4.19Å; K82-L86 PolarHBondContact O-N 3.07Å; K82-G87 PolarHBondContact O-N 2.96Å; K82-G87 VanDerWaalsContact O-N 3.12Å; K82-F88 HydrophobicContact CB-CZ 4.13Å; K82-F88 HydrophobicContact CD-CE1 4.11Å; K82-F88 HydrophobicContact CD-CZ 4.32Å; K82-F88 HydrophobicContact CG-CE1 4.28Å; K82-F88 HydrophobicContact CG-CZ 4.16Å; K82-T186 HydrophobicContact CD-CG2 4.4Å; K82-T186 HydrophobicContact CG-CG2 4.42Å
83G94.6Very high95.2Very high0 Ų031 Ų310%015%0.147CC..Hα-helixtrans-65.8-42.4177.800000113.9N79 M80 I81 G87 F88 N149N79-G83 PolarHBondContact O-N 3.37Å; M80-G83 PolarHBondContact O-N 3.42Å; I81-G83 PolarHBondContact O-N 3.29Å; G83-G87 VanDerWaalsContact O-CA 3.25Å; G83-G87 WeakPolarHBondContact O-CA 3.26Å; G83-G87 PolarHBondContact O-N 3.03Å; G83-G87 VanDerWaalsContact O-N 3.16Å; G83-F88 VanDerWaalsContact CA-CE2 3.46Å; G83-N149 WeakPolarHBondContact CA-O 3.38Å
84V94.7Very high95.2Very high0 Ų031.5 Ų31.50%015%0.151CC..Hα-helixtrans-79.2-20.6178.5-61.50000113.7V16 V27 P30 R31 L34 M80 I81V16-V84 HydrophobicContact CG1-CG2 4.19Å; V16-V84 HydrophobicContact CG2-CG2 4.19Å; V27-V84 HydrophobicContact CG1-CG1 4.38Å; V27-V84 HydrophobicContact CG1-CG2 3.68Å; P30-V84 VanDerWaalsContact CD-O 3.3Å; P30-V84 WeakPolarHBondContact CD-O 3.3Å; P30-V84 WeakPolarHBondContact CG-O 3.39Å; R31-V84 VanDerWaalsContact CB-O 3.26Å; R31-V84 WeakPolarHBondContact CB-O 3.27Å; R31-V84 WeakPolarHBondContact CG-O 3.5Å; R31-V84 PolarHBondContact N-O 3.25Å; L34-V84 HydrophobicContact CB-CG1 4.27Å; L34-V84 HydrophobicContact CD1-CG1 3.9Å; L34-V84 HydrophobicContact CG-CG1 3.8Å; M80-V84 PolarHBondContact O-N 3.23Å; I81-V84 VanDerWaalsContact O-CG2 3.24Å; I81-V84 WeakPolarHBondContact O-CG2 3.25Å; I81-V84 PolarHBondContact O-N 2.73Å
85T92.9Very high95.2Very high36 Ų3634.4 Ų34.422%0.22117%0.168CC..Hα-helixtrans-90.6-58.9177.3530000111.7V16 R31 I81 K82V16-T85 HydrophobicContact CG2-CG2 3.27Å; R31-T85 WeakPolarHBondContact CD-O 3.16Å; I81-T85 WeakPolarHBondContact O-CG2 3.39Å; I81-T85 PolarHBondContact O-N 3.18Å; I81-T85 VanDerWaalsContact O-N 3.07Å; I81-T85 PolarHBondContact O-OG1 3.09Å; K82-T85 WeakPolarHBondContact CA-OG1 3.12Å; K82-T85 PolarHBondContact O-OG1 2.89Å
86L94.3Very high95.1Very high36 Ų3635.8 Ų35.819%0.18817%0.167CC..THydrogen-bonded Turntrans-100.8-30.2-171.9-56.1177.8000112.6R31 K82 T186 V187 V188 A190R31-L86 PolarHBondContact NH1-O 2.97Å; R31-L86 VanDerWaalsContact NH1-O 3.1Å; K82-L86 HydrophobicContact CG-CD1 4.19Å; K82-L86 PolarHBondContact O-N 3.07Å; L86-T186 HydrophobicContact CB-CG2 3.96Å; L86-T186 HydrophobicContact CD1-CG2 4.11Å; L86-V187 WeakPolarHBondContact O-CB 3.31Å; L86-V187 PolarHBondContact O-N 3.24Å; L86-V188 HydrophobicContact CD2-CB 4.17Å; L86-V188 HydrophobicContact CD2-CG1 4.32Å; L86-V188 PolarHBondContact O-N 3.16Å; L86-V188 VanDerWaalsContact O-N 3.08Å; L86-A190 HydrophobicContact CD1-CB 3.9Å; L86-A190 HydrophobicContact CD2-CB 4.33Å
87G94.9Very high94.9Very high0 Ų038.1 Ų38.10%019%0.193CC..  trans74161.2-170.800000112.5K82 G83 T186 V187K82-G87 PolarHBondContact O-N 2.96Å; K82-G87 VanDerWaalsContact O-N 3.12Å; G83-G87 VanDerWaalsContact O-CA 3.25Å; G83-G87 WeakPolarHBondContact O-CA 3.26Å; G83-G87 PolarHBondContact O-N 3.03Å; G83-G87 VanDerWaalsContact O-N 3.16Å; G87-T186 VanDerWaalsContact O-CA 3.23Å; G87-T186 WeakPolarHBondContact O-CA 3.48Å; G87-T186 VanDerWaalsContact O-CB 3.31Å; G87-T186 WeakPolarHBondContact O-CB 3.24Å; G87-T186 WeakPolarHBondContact O-CG2 3.49Å; G87-V187 PolarHBondContact O-N 3.06Å
88F96.6Very high94.8Very high10 Ų1045.5 Ų45.54%0.04423%0.227CC..EExtended strand (participates in β ladder)trans-106.1136.5178-67.1-76.8000110.9N79 K82 G83 E147 G148 N149 I151 V154N79-F88 HydrophobicContact CB-CZ 4.3Å; N79-F88 WeakPolarHBondContact O-CE2 3.42Å; N79-F88 WeakPolarHBondContact O-CZ 3.35Å; K82-F88 HydrophobicContact CB-CZ 4.13Å; K82-F88 HydrophobicContact CD-CE1 4.11Å; K82-F88 HydrophobicContact CD-CZ 4.32Å; K82-F88 HydrophobicContact CG-CE1 4.28Å; K82-F88 HydrophobicContact CG-CZ 4.16Å; G83-F88 VanDerWaalsContact CA-CE2 3.46Å; F88-E147 WeakPolarHBondContact O-CA 3.35Å; F88-G148 PolarHBondContact N-O 2.97Å; F88-G148 PolarHBondContact O-N 2.83Å; F88-G148 VanDerWaalsContact O-N 3.1Å; F88-N149 WeakPolarHBondContact CD2-O 3.35Å; F88-I151 HydrophobicContact CD1-CB 4.25Å; F88-I151 HydrophobicContact CD1-CD1 4.16Å; F88-I151 HydrophobicContact CD1-CG1 4.2Å; F88-I151 HydrophobicContact CD2-CB 3.81Å; F88-I151 HydrophobicContact CE1-CB 4.15Å; F88-I151 HydrophobicContact CE1-CD1 3.82Å; F88-I151 HydrophobicContact CE1-CG1 4.23Å; F88-I151 HydrophobicContact CE2-CB 3.7Å; F88-I151 HydrophobicContact CE2-CG2 4.43Å; F88-I151 HydrophobicContact CG-CB 4.08Å; F88-I151 HydrophobicContact CG-CG1 4.37Å; F88-I151 HydrophobicContact CZ-CB 3.88Å; F88-I151 HydrophobicContact CZ-CD1 4.19Å; F88-I151 HydrophobicContact CZ-CG1 4.44Å; F88-V154 HydrophobicContact CB-CG2 4.49Å
89R95.7Very high94.8Very high64 Ų6445.1 Ų45.124%0.24222%0.224CC..EExtended strand (participates in β ladder)trans-127.3120.5176.1-176.3-178.1-73.7143.1-8.3109.4V145 L146 E147 G185 T186 V187R89-V145 HydrophobicContact CG-CG1 3.48Å; R89-V145 VanDerWaalsContact CG-CG1 3.48Å; R89-L146 CarbonylContact C-O 3.58Å; R89-L146 WeakPolarHBondContact CA-O 3.46Å; R89-E147 HydrophobicContact CG-CG 4.22Å; R89-E147 IonicContact CZ-OE1 3.56Å; R89-E147 IonicContact NE-OE1 3.78Å; R89-E147 PolarHBondContact NE-OE1 2.86Å; R89-E147 IonicContact NH2-OE1 3.52Å; R89-E147 PolarHBondContact NH2-OE1 2.83Å; R89-G185 PolarHBondContact N-O 3.39Å; R89-G185 CarbonylContact O-C 3.58Å; R89-G185 WeakPolarHBondContact O-CA 3.05Å; R89-G185 PolarHBondContact O-N 3.14Å; R89-G185 VanDerWaalsContact O-O 3.09Å; R89-T186 PolarHBondContact NH1-O 2.92Å; R89-V187 HydrophobicContact CB-CG2 3.95Å; R89-V187 PolarHBondContact NH1-O 2.85Å; R89-V187 PolarHBondContact NH2-O 3.41Å
90Y96.8Very high94.7Very high14 Ų1445.3 Ų45.36%0.05523%0.228CC..EExtended strand (participates in β ladder)trans-110.3125.4174.5-82.938.8000107.9V145 L146 V154 A158 V181 K184Y90-V145 WeakPolarHBondContact O-CA 3.24Å; Y90-L146 PolarHBondContact N-O 3Å; Y90-L146 PolarHBondContact O-N 2.82Å; Y90-V154 HydrophobicContact CD1-CG1 3.77Å; Y90-V154 HydrophobicContact CD2-CG1 4.47Å; Y90-V154 HydrophobicContact CE1-CG1 4.33Å; Y90-V154 HydrophobicContact CG-CG1 3.86Å; Y90-A158 HydrophobicContact CD2-CB 4.15Å; Y90-V181 HydrophobicContact CD2-CG1 3.98Å; Y90-K184 HydrophobicContact CD1-CB 4.46Å; Y90-K184 HydrophobicContact CD1-CG 4.37Å; Y90-K184 HydrophobicContact CD2-CG 4.16Å; Y90-K184 HydrophobicContact CE1-CB 4.11Å; Y90-K184 HydrophobicContact CE1-CD 4.45Å; Y90-K184 HydrophobicContact CE1-CG 4.05Å; Y90-K184 HydrophobicContact CE2-CD 3.92Å; Y90-K184 HydrophobicContact CE2-CG 3.83Å; Y90-K184 HydrophobicContact CG-CG 4.42Å
91K95.8Very high94.7Very high58 Ų5845.1 Ų45.125%0.25223%0.227SC..EExtended strand (participates in β ladder)trans-97.5134.2171.8-61.4174.1-174.2165.30108.5E143 L144 V145 S182 E183K91-E143 HydrophobicContact CB-CG 4.46Å; K91-E143 VanDerWaalsContact CD-OE1 3.3Å; K91-E143 WeakPolarHBondContact CD-OE1 3.25Å; K91-L144 CarbonylContact C-O 3.59Å; K91-L144 WeakPolarHBondContact CA-O 2.9Å; K91-V145 HydrophobicContact CG-CG2 4.49Å; K91-S182 PolarHBondContact O-N 2.84Å; K91-S182 PolarHBondContact O-OG 3.44Å; K91-S182 VanDerWaalsContact O-OG 3.12Å; K91-E183 HydrophobicContact CB-CB 4.11Å; K91-E183 HydrophobicContact CD-CB 4.19Å; K91-E183 VanDerWaalsContact CD-OE2 3.31Å; K91-E183 WeakPolarHBondContact CD-OE2 3.44Å; K91-E183 WeakPolarHBondContact CE-OE2 3.43Å; K91-E183 HydrophobicContact CG-CB 4.5Å; K91-E183 PolarHBondContact N-O 3.35Å; K91-E183 IonicContact NZ-OE1 3.59Å; K91-E183 IonicContact NZ-OE2 3.88Å; K91-E183 PolarHBondContact NZ-OE2 2.78Å; K91-E183 PolarHBondContact O-N 2.9Å
92M96.3Very high94.6Very high0 Ų048.5 Ų48.50%025%0.246CC..EExtended strand (participates in β ladder)trans-122.6140175.7-55.5-173.178.500109.9E143 L144 L146 A158 I161 Q162 I179 Y180 V181M92-E143 CarbonylContact O-C 3.43Å; M92-E143 VanDerWaalsContact O-CA 3.28Å; M92-E143 WeakPolarHBondContact O-CA 3.46Å; M92-E143 WeakPolarHBondContact O-CG 3.3Å; M92-L144 HydrophobicContact CB-CB 4.26Å; M92-L144 PolarHBondContact N-O 2.73Å; M92-L144 PolarHBondContact O-N 3.43Å; M92-L146 HydrophobicContact CG-CD1 3.69Å; M92-L146 HydrophobicContact SD-CD1 3.45Å; M92-L146 WeakPolarHBondContact SD-CD1 3.34Å; M92-A158 HydrophobicContact CE-CB 4.26Å; M92-A158 WeakPolarHBondContact CE-O 3.3Å; M92-A158 HydrophobicContact SD-CB 3.75Å; M92-I161 HydrophobicContact CE-CB 4.22Å; M92-I161 HydrophobicContact CE-CG2 4.17Å; M92-I161 HydrophobicContact SD-CB 4.25Å; M92-I161 HydrophobicContact SD-CD1 4.2Å; M92-I161 HydrophobicContact SD-CG2 4.26Å; M92-Q162 HydrophobicContact CE-CB 4.06Å; M92-I179 HydrophobicContact CB-CG2 3.83Å; M92-I179 HydrophobicContact CE-CG2 3.88Å; M92-I179 HydrophobicContact SD-CG2 4.3Å; M92-Y180 CarbonylContact C-O 3.57Å; M92-Y180 WeakPolarHBondContact CA-O 3.35Å; M92-Y180 WeakPolarHBondContact CB-O 3.29Å; M92-V181 HydrophobicContact CE-CG2 3.81Å; M92-V181 HydrophobicContact CG-CG2 4.13Å; M92-V181 HydrophobicContact SD-CG2 4.42Å
93R95.5Very high94.6Very high72 Ų7245 Ų4527%0.27223%0.232SC..EExtended strand (participates in β ladder)trans-110.4130.7179.3-61.7-74.6-70153.37.9109K141 E143 I179 Y180 S182R93-K141 PolarHBondContact NH1-O 3.32Å; R93-E143 IonicContact NH1-OE2 3.85Å; R93-I179 WeakPolarHBondContact O-CA 3.24Å; R93-Y180 PolarHBondContact N-O 2.84Å; R93-Y180 PolarHBondContact O-N 3.39Å; R93-S182 VanDerWaalsContact CG-CB 3.48Å; R93-S182 WeakPolarHBondContact CG-OG 3.32Å
94S95.1Very high94.6Very high10 Ų1047.8 Ų47.87%0.0725%0.249CC..EExtended strand (participates in β ladder)trans-83.2115.3168.352.50000109.3D142S94-D142 PolarHBondContact N-O 2.98Å; S94-D142 WeakPolarHBondContact OG-CA 3.48Å; S94-D142 WeakPolarHBondContact OG-CB 3.5Å; S94-D142 PolarHBondContact OG-O 2.94Å
95V95.4Very high94.5Very high65 Ų6550 Ų5039%0.39426%0.26SS..EExtended strand (participates in β ladder)trans-102.8130.8177.2-178.30000107.8I101 D177 G178 Y180V95-I101 WeakPolarHBondContact O-CD1 3.49Å; V95-D177 CarbonylContact O-C 3.58Å; V95-D177 VanDerWaalsContact O-CA 3.3Å; V95-D177 WeakPolarHBondContact O-CA 3.42Å; V95-G178 PolarHBondContact N-O 3.2Å; V95-G178 PolarHBondContact O-N 3.45Å; V95-Y180 HydrophobicContact CB-CD2 4.33Å; V95-Y180 HydrophobicContact CB-CE2 4.39Å; V95-Y180 HydrophobicContact CG2-CD2 4.07Å
96Y93.9Very high94.5Very high76 Ų7651.6 Ų51.630%0.29827%0.265SS..  trans-146.315317655.7-88000110.7F99 P100 D142 D177Y96-F99 VanDerWaalsContact CB-O 3.29Å; Y96-F99 WeakPolarHBondContact CB-O 3.42Å; Y96-P100 HydrophobicContact CD2-CB 4.37Å; Y96-P100 HydrophobicContact CE2-CB 4.06Å; Y96-D142 VanDerWaalsContact CE1-OD2 3.32Å; Y96-D142 WeakPolarHBondContact CE1-OD2 3.38Å; Y96-D142 PolarHBondContact OH-OD2 2.89Å; Y96-D177 WeakPolarHBondContact CA-OD1 3.38Å
97A91.8Very high94.2Very high89 Ų8954.6 Ų54.674%0.73628%0.278SS*.SBendtrans-92.8-59174.500000111.5D177A97-D177 PolarHBondContact N-OD1 3.15Å
98H92.2Very high93.7Very high155 Ų15560.2 Ų60.272%0.71832%0.318SS*.SBendtrans-125.5-37.7-173.3-167.5-64.3000113.4P100H98-P100 VanDerWaalsContact O-CD 3.28Å; H98-P100 WeakPolarHBondContact O-CD 3.46Å
99F93.6Very high93.2Very high91 Ų9159.9 Ų59.940%0.39932%0.317SS..SBendtrans-93.4108.3179.7-64-72.8000109.7Y96 I101Y96-F99 VanDerWaalsContact CB-O 3.29Å; Y96-F99 WeakPolarHBondContact CB-O 3.42Å; F99-I101 PolarHBondContact O-N 3.5Å
100P93.9Very high93Very high59 Ų5959.1 Ų59.138%0.38332%0.321SS..  trans-64.8129.4179.325.9-33.3000110.3Y96 H98 N102 N116Y96-P100 HydrophobicContact CD2-CB 4.37Å; Y96-P100 HydrophobicContact CE2-CB 4.06Å; H98-P100 VanDerWaalsContact O-CD 3.28Å; H98-P100 WeakPolarHBondContact O-CD 3.46Å; P100-N102 PolarHBondContact O-N 3.23Å; P100-N116 PolarHBondContact O-ND2 3.08Å
101I95.2Very high92.9Very high6 Ų659.5 Ų59.53%0.03132%0.324CS..  trans-82.6116-179.6-59.3170.9000108.5V95 F99 V103 I114 F117 I179V95-I101 WeakPolarHBondContact O-CD1 3.49Å; F99-I101 PolarHBondContact O-N 3.5Å; I101-V103 HydrophobicContact CG2-CG2 3.97Å; I101-I114 HydrophobicContact CG2-CG2 3.59Å; I101-F117 HydrophobicContact CD1-CD2 3.86Å; I101-F117 HydrophobicContact CD1-CE2 4.3Å; I101-F117 HydrophobicContact CG1-CD2 4.21Å; I101-I179 HydrophobicContact CG2-CD1 4.26Å
102N93.6Very high92.9Very high86 Ų8656.7 Ų56.746%0.4631%0.312SS..EExtended strand (participates in β ladder)trans-93.5119178.3-69.4-28.8000109.4P100 R115P100-N102 PolarHBondContact O-N 3.23Å; N102-R115 HydrophobicContact CB-CB 4.15Å; N102-R115 PolarHBondContact N-O 2.96Å; N102-R115 PolarHBondContact O-N 3.37Å
103V94.5Very high92.9Very high19 Ų1956.7 Ų56.712%0.11531%0.312CS..EExtended strand (participates in β ladder)trans-112.1119.9179.3-170.30000109.7I101 V112 E113 L144 I179I101-V103 HydrophobicContact CG2-CG2 3.97Å; V103-V112 HydrophobicContact CG1-CG1 3.47Å; V103-V112 VanDerWaalsContact CG1-CG1 3.47Å; V103-E113 WeakPolarHBondContact CA-O 3.49Å; V103-L144 HydrophobicContact CB-CD1 4.34Å; V103-L144 HydrophobicContact CB-CD2 4.44Å; V103-L144 HydrophobicContact CG1-CD1 3.97Å; V103-L144 HydrophobicContact CG1-CD2 3.64Å; V103-L144 HydrophobicContact CG1-CG 4.3Å; V103-L144 HydrophobicContact CG2-CD1 4.11Å; V103-I179 HydrophobicContact CG2-CD1 3.8Å
104V93.3Very high92.9Very high58 Ų5853.3 Ų53.335%0.35230%0.299SS..EExtended strand (participates in β ladder)trans-116.5131.4179.5-178.50000108.7Q106 E113V104-Q106 HydrophobicContact CG1-CG 4.43Å; V104-E113 HydrophobicContact CB-CB 4.43Å; V104-E113 PolarHBondContact N-O 3.3Å; V104-E113 PolarHBondContact O-N 3.01Å
105I93.9Very high92.9Very high45 Ų4557.6 Ų57.623%0.23131%0.314CS..EExtended strand (participates in β ladder)trans-102128.4179.9-57.3-179.1000108.4G109 A135 L136 L144I105-G109 VanDerWaalsContact CG2-CA 3.4Å; I105-A135 VanDerWaalsContact CD1-CA 3.44Å; I105-L136 HydrophobicContact CD1-CG 3.85Å; I105-L136 HydrophobicContact CG1-CG 4.39Å; I105-L144 HydrophobicContact CD1-CD2 4.13Å
106Q91.6Very high92.9Very high71 Ų7156.8 Ų56.833%0.33231%0.307SS..EExtended strand (participates in β ladder)trans-122.1172.4179.4-66.6-176.5-2.300110.5V104 S108 G109 S110 L111 E113V104-Q106 HydrophobicContact CG1-CG 4.43Å; Q106-S108 VanDerWaalsContact C-N 3.26Å; Q106-S108 PolarHBondContact O-N 3.41Å; Q106-G109 PolarHBondContact O-N 2.87Å; Q106-G109 VanDerWaalsContact O-N 3.08Å; Q106-S110 PolarHBondContact O-N 2.81Å; Q106-L111 HydrophobicContact CB-CB 4.35Å; Q106-L111 HydrophobicContact CB-CD2 4.03Å; Q106-L111 PolarHBondContact N-O 2.89Å; Q106-L111 PolarHBondContact O-N 2.74Å; Q106-E113 PolarHBondContact NE2-OE1 3.29Å; Q106-E113 PolarHBondContact NE2-OE2 2.65Å
107E87.8Confident92.9Very high98 Ų9853.3 Ų53.346%0.45829%0.294SS..G310 helixtrans50.845.7178.6-61.1-176.4-174.900112.3G109 S110 L111 R127E107-G109 PolarHBondContact O-N 3.24Å; E107-G109 VanDerWaalsContact O-N 3.09Å; E107-S110 WeakPolarHBondContact O-CB 3.41Å; E107-S110 PolarHBondContact O-N 2.93Å; E107-S110 VanDerWaalsContact O-N 3.14Å; E107-S110 PolarHBondContact O-OG 2.8Å; E107-L111 HydrophobicContact CB-CB 4.44Å; E107-L111 HydrophobicContact CG-CB 4.39Å; E107-R127 IonicContact OE2-CZ 3Å; E107-R127 IonicContact OE2-NE 3.15Å; E107-R127 IonicContact OE2-NH2 3.43Å; E107-R127 PolarHBondContact OE2-NH2 2.97Å; E107-R127 VanDerWaalsContact OE2-NH2 3.15Å
108S85.3Confident93Very high119 Ų11950.5 Ų50.583%0.83227%0.266SS*.G310 helixtrans51.735.2179.752.50000114Q106 N133Q106-S108 VanDerWaalsContact C-N 3.26Å; Q106-S108 PolarHBondContact O-N 3.41Å; S108-N133 PolarHBondContact O-OD1 3.05Å
109G86.4Confident93Very high2 Ų244.7 Ų44.72%0.02125%0.248CC..G310 helixtrans102.5-0.6177.300000116.3I105 Q106 E107 N133 C134I105-G109 VanDerWaalsContact CG2-CA 3.4Å; Q106-G109 PolarHBondContact O-N 2.87Å; Q106-G109 VanDerWaalsContact O-N 3.08Å; E107-G109 PolarHBondContact O-N 3.24Å; E107-G109 VanDerWaalsContact O-N 3.09Å; G109-N133 VanDerWaalsContact CA-OD1 3.3Å; G109-N133 WeakPolarHBondContact CA-OD1 3.43Å; G109-C134 WeakPolarHBondContact CA-O 3.43Å; G109-C134 WeakPolarHBondContact O-CB 3.37Å; G109-C134 PolarHBondContact O-N 3.33Å; G109-C134 VanDerWaalsContact O-N 3.11Å
110S92.1Very high92.9Very high48 Ų4843.9 Ų43.934%0.33625%0.246SC..THydrogen-bonded Turntrans-86.7-21.6-178.8-56.80000113.8Q106 E107 M128Q106-S110 PolarHBondContact O-N 2.81Å; E107-S110 WeakPolarHBondContact O-CB 3.41Å; E107-S110 PolarHBondContact O-N 2.93Å; E107-S110 VanDerWaalsContact O-N 3.14Å; E107-S110 PolarHBondContact O-OG 2.8Å; S110-M128 PolarHBondContact O-N 3.24Å
111L94.4Very high92.9Very high22 Ų2251.1 Ų51.112%0.11527%0.271CS..EExtended strand (participates in β ladder)trans-129.5127.5-177.8-171.7135.3000110.8Q106 E107 E113Q106-L111 HydrophobicContact CB-CB 4.35Å; Q106-L111 HydrophobicContact CB-CD2 4.03Å; Q106-L111 PolarHBondContact N-O 2.89Å; Q106-L111 PolarHBondContact O-N 2.74Å; E107-L111 HydrophobicContact CB-CB 4.44Å; E107-L111 HydrophobicContact CG-CB 4.39Å; L111-E113 HydrophobicContact CD2-CG 3.62Å
112V95.3Very high92.9Very high0 Ų058.4 Ų58.40%030%0.299CS..EExtended strand (participates in β ladder)trans-110.2119.6179178.60000108.6V103 I114 R125 V126 M128 C134 I161V103-V112 HydrophobicContact CG1-CG1 3.47Å; V103-V112 VanDerWaalsContact CG1-CG1 3.47Å; V112-I114 HydrophobicContact CG1-CG1 4.08Å; V112-R125 WeakPolarHBondContact O-CA 3.48Å; V112-V126 PolarHBondContact N-O 2.82Å; V112-V126 PolarHBondContact O-N 3.28Å; V112-M128 HydrophobicContact CB-CE 4.17Å; V112-M128 HydrophobicContact CG2-CE 3.74Å; V112-M128 HydrophobicContact CG2-SD 4.29Å; V112-C134 HydrophobicContact CG2-CB 3.98Å; V112-I161 HydrophobicContact CG2-CD1 4.37Å
113E95.6Very high93Very high0 Ų057.3 Ų57.30%029%0.293CS..EExtended strand (participates in β ladder)trans-99.3123.3171.1-58.5-160.4140.300110V103 V104 Q106 L111 R115 I123 R124 R125V103-E113 WeakPolarHBondContact CA-O 3.49Å; V104-E113 HydrophobicContact CB-CB 4.43Å; V104-E113 PolarHBondContact N-O 3.3Å; V104-E113 PolarHBondContact O-N 3.01Å; Q106-E113 PolarHBondContact NE2-OE1 3.29Å; Q106-E113 PolarHBondContact NE2-OE2 2.65Å; L111-E113 HydrophobicContact CD2-CG 3.62Å; E113-R115 IonicContact OE2-CZ 3.42Å; E113-R115 IonicContact OE2-NE 2.72Å; E113-R115 PolarHBondContact OE2-NE 3.37Å; E113-R115 IonicContact OE2-NH2 3.13Å; E113-R115 PolarHBondContact OE2-NH2 3.34Å; E113-I123 HydrophobicContact CB-CG2 4.14Å; E113-R124 WeakPolarHBondContact CA-O 3.37Å; E113-R125 HydrophobicContact CG-CG 4.2Å; E113-R125 IonicContact OE1-CZ 2.71Å; E113-R125 VanDerWaalsContact OE1-CZ 3.26Å; E113-R125 IonicContact OE1-NE 3.2Å; E113-R125 PolarHBondContact OE1-NE 3.1Å; E113-R125 IonicContact OE1-NH2 3.55Å; E113-R125 PolarHBondContact OE1-NH2 2.86Å
114I95.9Very high93.1Very high0 Ų058 Ų580%029%0.294CS..EExtended strand (participates in β ladder)trans-108.8120.6177.5-51.4167.9000107.4I101 V112 R124 V126 I161 T165 I179I101-I114 HydrophobicContact CG2-CG2 3.59Å; V112-I114 HydrophobicContact CG1-CG1 4.08Å; I114-R124 HydrophobicContact CB-CB 4.29Å; I114-R124 PolarHBondContact N-O 3.2Å; I114-R124 PolarHBondContact O-N 2.84Å; I114-V126 HydrophobicContact CD1-CG2 4.42Å; I114-I161 HydrophobicContact CD1-CG2 4.08Å; I114-T165 HydrophobicContact CD1-CG2 3.59Å; I114-T165 HydrophobicContact CG2-CG2 3.9Å; I114-I179 HydrophobicContact CD1-CD1 3.96Å; I114-I179 HydrophobicContact CG1-CD1 4.24Å; I114-I179 HydrophobicContact CG2-CD1 4.28Å
115R95.7Very high93.2Very high100 Ų10063.2 Ų63.238%0.37731%0.307SS..EExtended strand (participates in β ladder)trans-120.1155.8-176.4-57.3-178.9-178.4-163.11110.2N102 E113 F117 I123N102-R115 HydrophobicContact CB-CB 4.15Å; N102-R115 PolarHBondContact N-O 2.96Å; N102-R115 PolarHBondContact O-N 3.37Å; E113-R115 IonicContact OE2-CZ 3.42Å; E113-R115 IonicContact OE2-NE 2.72Å; E113-R115 PolarHBondContact OE2-NE 3.37Å; E113-R115 IonicContact OE2-NH2 3.13Å; E113-R115 PolarHBondContact OE2-NH2 3.34Å; R115-F117 PolarHBondContact O-N 3.11Å; R115-F117 VanDerWaalsContact O-N 3.17Å; R115-I123 HydrophobicContact CG-CG1 4.19Å; R115-I123 HydrophobicContact CG-CG2 3.95Å
116N94.5Very high93.3Very high49 Ų4961.7 Ų61.726%0.26230%0.3SS..  trans60.221.7175.3-161.543.8000114.8P100 L118 G119P100-N116 PolarHBondContact O-ND2 3.08Å; N116-L118 PolarHBondContact O-N 2.87Å; N116-G119 PolarHBondContact O-N 3.1Å
117F95.1Very high93.4Very high2 Ų266.3 Ų66.31%0.00931%0.314CS..G310 helixtrans-65.2121172.9179.9-109.2000109.5I101 R115 G119 E120 T165 V167 D177I101-F117 HydrophobicContact CD1-CD2 3.86Å; I101-F117 HydrophobicContact CD1-CE2 4.3Å; I101-F117 HydrophobicContact CG1-CD2 4.21Å; R115-F117 PolarHBondContact O-N 3.11Å; R115-F117 VanDerWaalsContact O-N 3.17Å; F117-G119 PolarHBondContact O-N 2.86Å; F117-E120 VanDerWaalsContact O-CB 3.31Å; F117-E120 WeakPolarHBondContact O-CB 3.31Å; F117-E120 WeakPolarHBondContact O-CG 3.23Å; F117-E120 PolarHBondContact O-N 2.86Å; F117-T165 HydrophobicContact CD2-CG2 4.26Å; F117-T165 HydrophobicContact CE2-CG2 4.47Å; F117-T165 WeakPolarHBondContact CE2-O 3.44Å; F117-T165 VanDerWaalsContact CZ-C 3.5Å; F117-T165 WeakPolarHBondContact CZ-O 3.42Å; F117-V167 HydrophobicContact CZ-CG2 3.96Å; F117-D177 HydrophobicContact CE2-CB 4.1Å; F117-D177 WeakPolarHBondContact CE2-O 3.41Å
118L93.1Very high93.8Very high30 Ų3062.3 Ų62.316%0.15730%0.295CS..G310 helixtrans52.422.7-172.4-68.1175.9000115N116 E120 V167 D177N116-L118 PolarHBondContact O-N 2.87Å; L118-E120 VanDerWaalsContact C-N 3.26Å; L118-E120 PolarHBondContact O-N 3.3Å; L118-V167 HydrophobicContact CD1-CB 4.34Å; L118-V167 HydrophobicContact CD1-CG1 3.95Å; L118-V167 HydrophobicContact CD1-CG2 3.97Å; L118-D177 HydrophobicContact CD2-CB 4.05Å
119G91.8Very high94.2Very high33 Ų3361.8 Ų61.834%0.3428%0.275SS..G310 helixtrans73.814-175.800000114.4N116 F117N116-G119 PolarHBondContact O-N 3.1Å; F117-G119 PolarHBondContact O-N 2.86Å
120E92.8Very high94.5Very high75 Ų7566.8 Ų66.835%0.3531%0.307SS..  trans-68.5141.4176.4-66.6176176.900111.5F117 L118 R124F117-E120 VanDerWaalsContact O-CB 3.31Å; F117-E120 WeakPolarHBondContact O-CB 3.31Å; F117-E120 WeakPolarHBondContact O-CG 3.23Å; F117-E120 PolarHBondContact O-N 2.86Å; L118-E120 VanDerWaalsContact C-N 3.26Å; L118-E120 PolarHBondContact O-N 3.3Å; E120-R124 IonicContact OE1-NH2 3.23Å; E120-R124 PolarHBondContact OE1-NH2 3.08Å; E120-R124 IonicContact OE2-CZ 2.79Å; E120-R124 IonicContact OE2-NE 3.41Å; E120-R124 IonicContact OE2-NH2 2.68Å; E120-R124 PolarHBondContact OE2-NH2 3.41Å
121K94Very high94.5Very high211 Ų21167.9 Ų67.992%0.91733%0.326SS*.SBendtrans-74.7-15.7169.5-65.7-176.2179.6-179.80112.9
122Y95Very high94.5Very high158 Ų15867.2 Ų67.262%0.6232%0.323SS*.PPolyproline II helixtrans-74.2127.3-179179.8-107.4000110.8R124Y122-R124 HydrophobicContact CD1-CG 3.77Å; Y122-R124 HydrophobicContact CE1-CB 4.46Å; Y122-R124 HydrophobicContact CE1-CG 3.8Å
123I95.8Very high94.4Very high63 Ų6371.1 Ų71.132%0.32334%0.344SS..PPolyproline II helixtrans-92.7119.5178.1-56.3175.9000108.4E113 R115 R125E113-I123 HydrophobicContact CB-CG2 4.14Å; R115-I123 HydrophobicContact CG-CG1 4.19Å; R115-I123 HydrophobicContact CG-CG2 3.95Å; I123-R125 HydrophobicContact CG2-CG 4.41Å
124R95.3Very high94.4Very high35 Ų3571.2 Ų71.213%0.13234%0.344CS..EExtended strand (participates in β ladder)trans-89.1118.9178.7-48.1-166.6176.6-152.60.8108.7E113 I114 E120 Y122 A164E113-R124 WeakPolarHBondContact CA-O 3.37Å; I114-R124 HydrophobicContact CB-CB 4.29Å; I114-R124 PolarHBondContact N-O 3.2Å; I114-R124 PolarHBondContact O-N 2.84Å; E120-R124 IonicContact OE1-NH2 3.23Å; E120-R124 PolarHBondContact OE1-NH2 3.08Å; E120-R124 IonicContact OE2-CZ 2.79Å; E120-R124 IonicContact OE2-NE 3.41Å; E120-R124 IonicContact OE2-NH2 2.68Å; E120-R124 PolarHBondContact OE2-NH2 3.41Å; Y122-R124 HydrophobicContact CD1-CG 3.77Å; Y122-R124 HydrophobicContact CE1-CB 4.46Å; Y122-R124 HydrophobicContact CE1-CG 3.8Å; R124-A164 WeakPolarHBondContact CD-O 3.5Å; R124-A164 PolarHBondContact NE-O 3.12Å; R124-A164 PolarHBondContact NH1-O 3.45Å
125R95.6Very high94.3Very high167 Ų16773.5 Ų73.563%0.6336%0.363SS*.EExtended strand (participates in β ladder)trans-105.6123178.4-63.8-176.9164.8162.1-3.6109.6V112 E113 I123V112-R125 WeakPolarHBondContact O-CA 3.48Å; E113-R125 HydrophobicContact CG-CG 4.2Å; E113-R125 IonicContact OE1-CZ 2.71Å; E113-R125 VanDerWaalsContact OE1-CZ 3.26Å; E113-R125 IonicContact OE1-NE 3.2Å; E113-R125 PolarHBondContact OE1-NE 3.1Å; E113-R125 IonicContact OE1-NH2 3.55Å; E113-R125 PolarHBondContact OE1-NH2 2.86Å; I123-R125 HydrophobicContact CG2-CG 4.41Å
126V95.9Very high94.1Very high13 Ų1373.4 Ų73.48%0.07937%0.37CS..EExtended strand (participates in β ladder)trans-120.7118.4178.6-173.10000108.5V112 I114 M128 L160 I161 A164V112-V126 PolarHBondContact N-O 2.82Å; V112-V126 PolarHBondContact O-N 3.28Å; I114-V126 HydrophobicContact CD1-CG2 4.42Å; V126-M128 HydrophobicContact CB-CE 4.1Å; V126-M128 HydrophobicContact CG1-CE 3.68Å; V126-M128 WeakPolarHBondContact O-CE 3.47Å; V126-L160 HydrophobicContact CG1-CB 3.71Å; V126-I161 HydrophobicContact CB-CG1 4.37Å; V126-I161 HydrophobicContact CG1-CG1 4.07Å; V126-A164 HydrophobicContact CG2-CB 3.57Å
127R95.1Very high93.9Very high167 Ų16772.5 Ų72.563%0.6337%0.367SS*.EExtended strand (participates in β ladder)trans-88.6129.4175.5-160.2172.2-160.7175.69.5110E107E107-R127 IonicContact OE2-CZ 3Å; E107-R127 IonicContact OE2-NE 3.15Å; E107-R127 IonicContact OE2-NH2 3.43Å; E107-R127 PolarHBondContact OE2-NH2 2.97Å; E107-R127 VanDerWaalsContact OE2-NH2 3.15Å
128M94.4Very high93.5Very high14 Ų1477.7 Ų77.77%0.06941%0.411CS..PPolyproline II helixtrans-70.3154177.5-60-58.2100.100110.3S110 V112 V126 V132 C134 L146 I161S110-M128 PolarHBondContact O-N 3.24Å; V112-M128 HydrophobicContact CB-CE 4.17Å; V112-M128 HydrophobicContact CG2-CE 3.74Å; V112-M128 HydrophobicContact CG2-SD 4.29Å; V126-M128 HydrophobicContact CB-CE 4.1Å; V126-M128 HydrophobicContact CG1-CE 3.68Å; V126-M128 WeakPolarHBondContact O-CE 3.47Å; M128-V132 HydrophobicContact CB-CB 4.45Å; M128-C134 HydrophobicContact CG-CB 4.19Å; M128-C134 HydrophobicContact SD-CB 4.25Å; M128-L146 HydrophobicContact SD-CD2 3.73Å; M128-I161 HydrophobicContact CE-CD1 3.76Å; M128-I161 HydrophobicContact CE-CG1 3.83Å; M128-I161 HydrophobicContact SD-CD1 4.09Å
129R95.2Very high93.2Very high109 Ų10980.8 Ų80.841%0.41144%0.44SS..PPolyproline II helixtrans-68.2150.8170.9-64.3-60.7-178.9179.4-2110.1G131 V132 L153 N156 S157R129-G131 PolarHBondContact O-N 3.26Å; R129-V132 HydrophobicContact CB-CG2 4.38Å; R129-V132 WeakPolarHBondContact O-CB 3.5Å; R129-V132 PolarHBondContact O-N 3.34Å; R129-V132 VanDerWaalsContact O-N 3.14Å; R129-L153 HydrophobicContact CB-CB 4.02Å; R129-L153 HydrophobicContact CB-CD2 4.08Å; R129-L153 HydrophobicContact CG-CD2 4.36Å; R129-N156 PolarHBondContact NE-OD1 3.44Å; R129-S157 WeakPolarHBondContact CB-OG 3.11Å; R129-S157 WeakPolarHBondContact CG-OG 3.35Å; R129-S157 PolarHBondContact N-OG 3.24Å; R129-S157 VanDerWaalsContact N-OG 3.07Å
130P92.9Very high93.1Very high106 Ų10683.8 Ų83.869%0.68845%0.445SS*.THydrogen-bonded Turntrans-59.5135.9-177.825-34.8000111.1V132 L153P130-V132 VanDerWaalsContact C-N 3.33Å; P130-L153 WeakPolarHBondContact O-CD1 3.21Å
131G90.8Very high93Very high71 Ų7187.4 Ų87.473%0.73246%0.46SS*.THydrogen-bonded Turntrans81.96.6-17800000115R129R129-G131 PolarHBondContact O-N 3.26Å
132V95.1Very high92.8Very high8 Ų879.6 Ų79.65%0.04843%0.428CS..EExtended strand (participates in β ladder)trans-107127.3169.6-1770000108.8M128 R129 P130 L146 E147 L153 V154M128-V132 HydrophobicContact CB-CB 4.45Å; R129-V132 HydrophobicContact CB-CG2 4.38Å; R129-V132 WeakPolarHBondContact O-CB 3.5Å; R129-V132 PolarHBondContact O-N 3.34Å; R129-V132 VanDerWaalsContact O-N 3.14Å; P130-V132 VanDerWaalsContact C-N 3.33Å; V132-L146 HydrophobicContact CG1-CB 4.32Å; V132-L146 HydrophobicContact CG1-CD2 4.2Å; V132-E147 CarbonylContact C-O 3.51Å; V132-E147 WeakPolarHBondContact CA-O 3.17Å; V132-L153 HydrophobicContact CG2-CB 3.78Å; V132-V154 HydrophobicContact CG1-CG2 4.28Å; V132-V154 HydrophobicContact CG2-CG2 3.93Å
133N93.7Very high92.8Very high82 Ų8273 Ų7344%0.43940%0.403SS..EExtended strand (participates in β ladder)trans-106.7133175.3-167.910.4000109.6S108 G109 L146 E147S108-N133 PolarHBondContact O-OD1 3.05Å; G109-N133 VanDerWaalsContact CA-OD1 3.3Å; G109-N133 WeakPolarHBondContact CA-OD1 3.43Å; N133-L146 WeakPolarHBondContact O-CA 3.44Å; N133-E147 PolarHBondContact N-O 2.87Å; N133-E147 PolarHBondContact O-N 2.89Å
134C94.3Very high92.7Very high2 Ų270.1 Ų70.11%0.01439%0.388CS..EExtended strand (participates in β ladder)trans-107.6133.7174.1-169.80000109.9G109 V112 M128 V145G109-C134 WeakPolarHBondContact CA-O 3.43Å; G109-C134 WeakPolarHBondContact O-CB 3.37Å; G109-C134 PolarHBondContact O-N 3.33Å; G109-C134 VanDerWaalsContact O-N 3.11Å; V112-C134 HydrophobicContact CG2-CB 3.98Å; M128-C134 HydrophobicContact CG-CB 4.19Å; M128-C134 HydrophobicContact SD-CB 4.25Å; C134-V145 WeakPolarHBondContact CA-O 3.45Å
135A93.6Very high92.7Very high48 Ų4869.2 Ų69.240%0.39739%0.387SS..EExtended strand (participates in β ladder)trans-134.5153.8176.400000110.7I105 V145I105-A135 VanDerWaalsContact CD1-CA 3.44Å; A135-V145 PolarHBondContact N-O 2.88Å; A135-V145 PolarHBondContact O-N 3.45Å
136L91.6Very high92.7Very high99 Ų9961.3 Ų61.352%0.51836%0.357SS..EExtended strand (participates in β ladder)trans-80.9137.2167.3-71.5168.4000108.7I105 A138 L144I105-L136 HydrophobicContact CD1-CG 3.85Å; I105-L136 HydrophobicContact CG1-CG 4.39Å; L136-A138 PolarHBondContact O-N 3.19Å; L136-L144 HydrophobicContact CD2-CD2 3.87Å; L136-L144 HydrophobicContact CD2-CG 4.13Å
137S90.3Very high92.7Very high30 Ų3063.5 Ų63.521%0.2137%0.366CS..  trans-70.3130.8176.4-167.30000110.2E143S137-E143 PolarHBondContact N-O 3.45Å
138A87.3Confident92.7Very high111 Ų11155.8 Ų55.892%0.91734%0.339SS*.SBendtrans-79.1-27.1172.200000112.2L136L136-A138 PolarHBondContact O-N 3.19Å
139A88Confident92.8Very high94 Ų9457 Ų5778%0.77735%0.345SS*.SBendtrans-77.4-30.9-174.500000112.6
140Q89.8Confident92.8Very high97 Ų9753.8 Ų53.845%0.45334%0.337SS..SBendtrans-137.9126.9-172.3-17173.111.700110.4E143Q140-E143 HydrophobicContact CB-CB 4.36Å; Q140-E143 WeakPolarHBondContact CB-OE2 3.35Å
141K88.8Confident93Very high151 Ų15150.5 Ų50.566%0.65731%0.313SS*.THydrogen-bonded Turntrans-61.3145.6174.9-171.4-171.6171.1-171.20110.6R93 E143R93-K141 PolarHBondContact NH1-O 3.32Å; K141-E143 VanDerWaalsContact C-N 3.3Å; K141-E143 PolarHBondContact O-N 3.05Å
142D91Very high93.2Very high46 Ų4650.7 Ų50.725%0.24630%0.295CS..THydrogen-bonded Turntrans65.534.1172.4-62.5-21.4000112.5S94 Y96S94-D142 PolarHBondContact N-O 2.98Å; S94-D142 WeakPolarHBondContact OG-CA 3.48Å; S94-D142 WeakPolarHBondContact OG-CB 3.5Å; S94-D142 PolarHBondContact OG-O 2.94Å; Y96-D142 VanDerWaalsContact CE1-OD2 3.32Å; Y96-D142 WeakPolarHBondContact CE1-OD2 3.38Å; Y96-D142 PolarHBondContact OH-OD2 2.89Å
143E94.4Very high93.3Very high20 Ų2053 Ų539%0.09331%0.307CS..EExtended strand (participates in β ladder)trans-126.9135.5178.7-171.4174.8133.200112.7K91 M92 R93 S137 Q140 K141K91-E143 HydrophobicContact CB-CG 4.46Å; K91-E143 VanDerWaalsContact CD-OE1 3.3Å; K91-E143 WeakPolarHBondContact CD-OE1 3.25Å; M92-E143 CarbonylContact O-C 3.43Å; M92-E143 VanDerWaalsContact O-CA 3.28Å; M92-E143 WeakPolarHBondContact O-CA 3.46Å; M92-E143 WeakPolarHBondContact O-CG 3.3Å; R93-E143 IonicContact NH1-OE2 3.85Å; S137-E143 PolarHBondContact N-O 3.45Å; Q140-E143 HydrophobicContact CB-CB 4.36Å; Q140-E143 WeakPolarHBondContact CB-OE2 3.35Å; K141-E143 VanDerWaalsContact C-N 3.3Å; K141-E143 PolarHBondContact O-N 3.05Å
144L93.9Very high93.4Very high2 Ų249.1 Ų49.11%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-111.8134.7174-73.2138.6000109.4K91 M92 V103 I105 L136 I179K91-L144 CarbonylContact C-O 3.59Å; K91-L144 WeakPolarHBondContact CA-O 2.9Å; M92-L144 HydrophobicContact CB-CB 4.26Å; M92-L144 PolarHBondContact N-O 2.73Å; M92-L144 PolarHBondContact O-N 3.43Å; V103-L144 HydrophobicContact CB-CD1 4.34Å; V103-L144 HydrophobicContact CB-CD2 4.44Å; V103-L144 HydrophobicContact CG1-CD1 3.97Å; V103-L144 HydrophobicContact CG1-CD2 3.64Å; V103-L144 HydrophobicContact CG1-CG 4.3Å; V103-L144 HydrophobicContact CG2-CD1 4.11Å; I105-L144 HydrophobicContact CD1-CD2 4.13Å; L136-L144 HydrophobicContact CD2-CD2 3.87Å; L136-L144 HydrophobicContact CD2-CG 4.13Å; L144-I179 HydrophobicContact CD1-CD1 4.04Å; L144-I179 HydrophobicContact CD1-CG2 3.93Å
145V95.7Very high93.5Very high17 Ų1751 Ų5110%0.10330%0.299CS..EExtended strand (participates in β ladder)trans-112.1123.3176.1-172.90000108R89 Y90 K91 C134 A135 E147R89-V145 HydrophobicContact CG-CG1 3.48Å; R89-V145 VanDerWaalsContact CG-CG1 3.48Å; Y90-V145 WeakPolarHBondContact O-CA 3.24Å; K91-V145 HydrophobicContact CG-CG2 4.49Å; C134-V145 WeakPolarHBondContact CA-O 3.45Å; A135-V145 PolarHBondContact N-O 2.88Å; A135-V145 PolarHBondContact O-N 3.45Å; V145-E147 HydrophobicContact CG1-CG 3.95Å
146L95.6Very high93.7Very high0 Ų052 Ų520%030%0.297CS..EExtended strand (participates in β ladder)trans-105.8123.9170.7-63.598.7000109.1R89 Y90 M92 M128 V132 N133 V154 A158 I161R89-L146 CarbonylContact C-O 3.58Å; R89-L146 WeakPolarHBondContact CA-O 3.46Å; Y90-L146 PolarHBondContact N-O 3Å; Y90-L146 PolarHBondContact O-N 2.82Å; M92-L146 HydrophobicContact CG-CD1 3.69Å; M92-L146 HydrophobicContact SD-CD1 3.45Å; M92-L146 WeakPolarHBondContact SD-CD1 3.34Å; M128-L146 HydrophobicContact SD-CD2 3.73Å; V132-L146 HydrophobicContact CG1-CB 4.32Å; V132-L146 HydrophobicContact CG1-CD2 4.2Å; N133-L146 WeakPolarHBondContact O-CA 3.44Å; L146-V154 HydrophobicContact CB-CG1 4.23Å; L146-A158 HydrophobicContact CD1-CB 4.21Å; L146-A158 HydrophobicContact CD2-CB 4.38Å; L146-I161 HydrophobicContact CD1-CD1 4.42Å; L146-I161 HydrophobicContact CD2-CD1 4.06Å
147E95.5Very high94Very high59 Ų5947.2 Ų47.228%0.27627%0.272SS..EExtended strand (participates in β ladder)trans-119.6141.2178.9-60.2-166.1158.800111F88 R89 V132 N133 V145 V187F88-E147 WeakPolarHBondContact O-CA 3.35Å; R89-E147 HydrophobicContact CG-CG 4.22Å; R89-E147 IonicContact CZ-OE1 3.56Å; R89-E147 IonicContact NE-OE1 3.78Å; R89-E147 PolarHBondContact NE-OE1 2.86Å; R89-E147 IonicContact NH2-OE1 3.52Å; R89-E147 PolarHBondContact NH2-OE1 2.83Å; V132-E147 CarbonylContact C-O 3.51Å; V132-E147 WeakPolarHBondContact CA-O 3.17Å; N133-E147 PolarHBondContact N-O 2.87Å; N133-E147 PolarHBondContact O-N 2.89Å; V145-E147 HydrophobicContact CG1-CG 3.95Å; E147-V187 HydrophobicContact CB-CG2 4.19Å; E147-V187 HydrophobicContact CG-CG2 4.09Å
148G95.3Very high94.3Very high5 Ų545.9 Ų45.95%0.05226%0.263CS..EExtended strand (participates in β ladder)trans-175.8170.1174.800000112F88F88-G148 PolarHBondContact N-O 2.97Å; F88-G148 PolarHBondContact O-N 2.83Å; F88-G148 VanDerWaalsContact O-N 3.1Å
149N95.9Very high94.7Very high39 Ų3942.4 Ų42.421%0.20923%0.234CC..SBendtrans-88.5-29.9-178.6-67.1-18.2000112.4R31 L34 G83 F88R31-N149 PolarHBondContact NE-OD1 2.79Å; R31-N149 PolarHBondContact O-ND2 2.94Å; L34-N149 HydrophobicContact CD1-CB 4.5Å; L34-N149 HydrophobicContact CD2-CB 4.25Å; G83-N149 WeakPolarHBondContact CA-O 3.38Å; F88-N149 WeakPolarHBondContact CD2-O 3.35Å
150D95.7Very high95.2Very high43 Ų4340.4 Ų40.423%0.2321%0.21CC..  trans-99.1119.3179.5-169.1-18.6000111.3L34 E152 L153 V154L34-D150 HydrophobicContact CD2-CB 4.15Å; D150-E152 PolarHBondContact O-N 3.4Å; D150-E152 PolarHBondContact OD1-N 2.75Å; D150-L153 HydrophobicContact CB-CB 4.21Å; D150-L153 HydrophobicContact CB-CD1 4.02Å; D150-L153 HydrophobicContact CB-CG 3.98Å; D150-L153 PolarHBondContact O-N 2.75Å; D150-V154 VanDerWaalsContact O-CG2 3.29Å; D150-V154 WeakPolarHBondContact O-CG2 3.43Å; D150-V154 PolarHBondContact O-N 3.28Å
151I96Very high95.5Very high37 Ų3735.8 Ų35.819%0.1919%0.189CC..Hα-helixtrans-59.3-34.1178.4-167.8170.4000112.6N79 F88 S155N79-I151 HydrophobicContact CB-CG2 4.11Å; F88-I151 HydrophobicContact CD1-CB 4.25Å; F88-I151 HydrophobicContact CD1-CD1 4.16Å; F88-I151 HydrophobicContact CD1-CG1 4.2Å; F88-I151 HydrophobicContact CD2-CB 3.81Å; F88-I151 HydrophobicContact CE1-CB 4.15Å; F88-I151 HydrophobicContact CE1-CD1 3.82Å; F88-I151 HydrophobicContact CE1-CG1 4.23Å; F88-I151 HydrophobicContact CE2-CB 3.7Å; F88-I151 HydrophobicContact CE2-CG2 4.43Å; F88-I151 HydrophobicContact CG-CB 4.08Å; F88-I151 HydrophobicContact CG-CG1 4.37Å; F88-I151 HydrophobicContact CZ-CB 3.88Å; F88-I151 HydrophobicContact CZ-CD1 4.19Å; F88-I151 HydrophobicContact CZ-CG1 4.44Å; I151-S155 WeakPolarHBondContact O-CB 3.11Å; I151-S155 PolarHBondContact O-N 3.49Å; I151-S155 PolarHBondContact O-OG 3.3Å
152E96.3Very high95.9Very high75 Ų7532.1 Ų32.135%0.3517%0.174SC..Hα-helixtrans-70.8-41-178-67.8-176.3-178.400110.8R36 H76 D150 S155 N156R36-E152 IonicContact CZ-OE1 2.79Å; R36-E152 IonicContact CZ-OE2 3.52Å; R36-E152 IonicContact NH1-OE1 2.75Å; R36-E152 PolarHBondContact NH1-OE1 2.74Å; R36-E152 IonicContact NH1-OE2 3.45Å; R36-E152 PolarHBondContact NH1-OE2 3.44Å; R36-E152 VanDerWaalsContact NH2-CD 3.35Å; R36-E152 IonicContact NH2-OE1 3.2Å; R36-E152 PolarHBondContact NH2-OE1 3.3Å; R36-E152 IonicContact NH2-OE2 2.73Å; R36-E152 PolarHBondContact NH2-OE2 3.15Å; H76-E152 IonicContact CE1-OE1 2.75Å; H76-E152 PolarHBondContact CE1-OE1 3.38Å; H76-E152 VanDerWaalsContact CE1-OE1 3.23Å; H76-E152 IonicContact ND1-OE1 3.28Å; H76-E152 PolarHBondContact ND1-OE1 3.01Å; D150-E152 PolarHBondContact O-N 3.4Å; D150-E152 PolarHBondContact OD1-N 2.75Å; E152-S155 PolarHBondContact O-OG 3.07Å; E152-N156 WeakPolarHBondContact O-CB 3.45Å; E152-N156 PolarHBondContact O-N 2.66Å
153L96.4Very high96.1Very high57 Ų5736.1 Ų36.130%0.29819%0.191SC..Hα-helixtrans-70.5-42.5177.8-58.7-178000111.6R129 P130 V132 D150 S157R129-L153 HydrophobicContact CB-CB 4.02Å; R129-L153 HydrophobicContact CB-CD2 4.08Å; R129-L153 HydrophobicContact CG-CD2 4.36Å; P130-L153 WeakPolarHBondContact O-CD1 3.21Å; V132-L153 HydrophobicContact CG2-CB 3.78Å; D150-L153 HydrophobicContact CB-CB 4.21Å; D150-L153 HydrophobicContact CB-CD1 4.02Å; D150-L153 HydrophobicContact CB-CG 3.98Å; D150-L153 PolarHBondContact O-N 2.75Å; L153-S157 WeakPolarHBondContact O-CB 3.28Å; L153-S157 PolarHBondContact O-N 3.44Å; L153-S157 PolarHBondContact O-OG 2.84Å
154V96.7Very high96.2Very high0 Ų036.3 Ų36.30%020%0.196CC..Hα-helixtrans-63.2-50.3177.4173.70000110.4F88 Y90 V132 L146 D150 N156 S157 A158F88-V154 HydrophobicContact CB-CG2 4.49Å; Y90-V154 HydrophobicContact CD1-CG1 3.77Å; Y90-V154 HydrophobicContact CD2-CG1 4.47Å; Y90-V154 HydrophobicContact CE1-CG1 4.33Å; Y90-V154 HydrophobicContact CG-CG1 3.86Å; V132-V154 HydrophobicContact CG1-CG2 4.28Å; V132-V154 HydrophobicContact CG2-CG2 3.93Å; L146-V154 HydrophobicContact CB-CG1 4.23Å; D150-V154 VanDerWaalsContact O-CG2 3.29Å; D150-V154 WeakPolarHBondContact O-CG2 3.43Å; D150-V154 PolarHBondContact O-N 3.28Å; V154-N156 PolarHBondContact O-N 2.77Å; V154-S157 PolarHBondContact O-N 3.34Å; V154-A158 PolarHBondContact O-N 3.16Å
155S96.8Very high96.2Very high41 Ų4136.3 Ų36.329%0.28720%0.196SC..Hα-helixtrans-66.8-37.5-179.461.20000113I151 E152 A158 A159I151-S155 WeakPolarHBondContact O-CB 3.11Å; I151-S155 PolarHBondContact O-N 3.49Å; I151-S155 PolarHBondContact O-OG 3.3Å; E152-S155 PolarHBondContact O-OG 3.07Å; S155-A158 PolarHBondContact O-N 3.14Å; S155-A159 WeakPolarHBondContact O-CB 3.31Å; S155-A159 PolarHBondContact O-N 3.07Å
156N97.2Very high96.2Very high68 Ų6838.4 Ų38.436%0.36421%0.209SC..Hα-helixtrans-64.3-44.1174.7-171.5-54.9000111R129 E152 V154 A158 A159 L160R129-N156 PolarHBondContact NE-OD1 3.44Å; E152-N156 WeakPolarHBondContact O-CB 3.45Å; E152-N156 PolarHBondContact O-N 2.66Å; V154-N156 PolarHBondContact O-N 2.77Å; N156-A158 VanDerWaalsContact C-N 3.34Å; N156-A158 PolarHBondContact O-N 3.32Å; N156-A159 PolarHBondContact O-N 2.84Å; N156-L160 WeakPolarHBondContact O-CG 3.49Å; N156-L160 PolarHBondContact O-N 2.83Å
157S96.9Very high96.2Very high0 Ų039.2 Ų39.20%021%0.214CC..Hα-helixtrans-61.4-43.1177-57.10000111.6R129 L153 V154 L160 I161R129-S157 WeakPolarHBondContact CB-OG 3.11Å; R129-S157 WeakPolarHBondContact CG-OG 3.35Å; R129-S157 PolarHBondContact N-OG 3.24Å; R129-S157 VanDerWaalsContact N-OG 3.07Å; L153-S157 WeakPolarHBondContact O-CB 3.28Å; L153-S157 PolarHBondContact O-N 3.44Å; L153-S157 PolarHBondContact O-OG 2.84Å; V154-S157 PolarHBondContact O-N 3.34Å; S157-L160 PolarHBondContact O-N 2.88Å; S157-I161 WeakPolarHBondContact O-CG1 3.43Å; S157-I161 PolarHBondContact O-N 2.76Å
158A96.9Very high96.1Very high1 Ų143.4 Ų43.41%0.00823%0.231CC..Hα-helixtrans-62.6-42.817400000112.2Y90 M92 L146 V154 S155 N156 L160 I161 Q162 V181Y90-A158 HydrophobicContact CD2-CB 4.15Å; M92-A158 HydrophobicContact CE-CB 4.26Å; M92-A158 WeakPolarHBondContact CE-O 3.3Å; M92-A158 HydrophobicContact SD-CB 3.75Å; L146-A158 HydrophobicContact CD1-CB 4.21Å; L146-A158 HydrophobicContact CD2-CB 4.38Å; V154-A158 PolarHBondContact O-N 3.16Å; S155-A158 PolarHBondContact O-N 3.14Å; N156-A158 VanDerWaalsContact C-N 3.34Å; N156-A158 PolarHBondContact O-N 3.32Å; A158-L160 VanDerWaalsContact C-N 3.33Å; A158-L160 PolarHBondContact O-N 2.96Å; A158-I161 PolarHBondContact O-N 3.12Å; A158-Q162 PolarHBondContact O-N 3.03Å; A158-V181 HydrophobicContact CB-CG2 4Å
159A97.1Very high96.1Very high38 Ų3851.6 Ų51.631%0.31427%0.274SS..Hα-helixtrans-63.6-37.2177.500000112.3S155 N156 Q162 Q163S155-A159 WeakPolarHBondContact O-CB 3.31Å; S155-A159 PolarHBondContact O-N 3.07Å; N156-A159 PolarHBondContact O-N 2.84Å; A159-Q162 PolarHBondContact O-N 2.79Å; A159-Q163 WeakPolarHBondContact O-CB 3.31Å; A159-Q163 WeakPolarHBondContact O-CG 3.34Å; A159-Q163 PolarHBondContact O-N 2.96Å
160L96.9Very high96Very high53 Ų5355.1 Ų55.128%0.27729%0.287SS..Hα-helixtrans-62.9-41.2175.3-72172.8000111.8V126 N156 S157 A158 A164V126-L160 HydrophobicContact CG1-CB 3.71Å; N156-L160 WeakPolarHBondContact O-CG 3.49Å; N156-L160 PolarHBondContact O-N 2.83Å; S157-L160 PolarHBondContact O-N 2.88Å; A158-L160 VanDerWaalsContact C-N 3.33Å; A158-L160 PolarHBondContact O-N 2.96Å; L160-A164 WeakPolarHBondContact O-CB 3.03Å; L160-A164 PolarHBondContact O-N 3.5Å
161I96.2Very high95.9Very high0 Ų056.3 Ų56.30%029%0.294CS..Hα-helixtrans-62.5-46.5174.8-65.1171.8000110.6M92 V112 I114 V126 M128 L146 S157 A158 A164 T165 I179M92-I161 HydrophobicContact CE-CB 4.22Å; M92-I161 HydrophobicContact CE-CG2 4.17Å; M92-I161 HydrophobicContact SD-CB 4.25Å; M92-I161 HydrophobicContact SD-CD1 4.2Å; M92-I161 HydrophobicContact SD-CG2 4.26Å; V112-I161 HydrophobicContact CG2-CD1 4.37Å; I114-I161 HydrophobicContact CD1-CG2 4.08Å; V126-I161 HydrophobicContact CB-CG1 4.37Å; V126-I161 HydrophobicContact CG1-CG1 4.07Å; M128-I161 HydrophobicContact CE-CD1 3.76Å; M128-I161 HydrophobicContact CE-CG1 3.83Å; M128-I161 HydrophobicContact SD-CD1 4.09Å; L146-I161 HydrophobicContact CD1-CD1 4.42Å; L146-I161 HydrophobicContact CD2-CD1 4.06Å; S157-I161 WeakPolarHBondContact O-CG1 3.43Å; S157-I161 PolarHBondContact O-N 2.76Å; A158-I161 PolarHBondContact O-N 3.12Å; I161-A164 PolarHBondContact O-N 2.79Å; I161-T165 PolarHBondContact O-N 2.98Å; I161-T165 VanDerWaalsContact O-N 3.14Å; I161-T165 PolarHBondContact O-OG1 3.26Å; I161-I179 HydrophobicContact CG2-CB 3.99Å; I161-I179 HydrophobicContact CG2-CD1 3.99Å; I161-I179 HydrophobicContact CG2-CG2 3.77Å
162Q96.7Very high95.8Very high74 Ų7460 Ų6035%0.34631%0.312SS..Hα-helixtrans-64.3-46.2-179.7-178176.9-11.500111.7M92 A158 A159 A164 T165 I179 Y180M92-Q162 HydrophobicContact CE-CB 4.06Å; A158-Q162 PolarHBondContact O-N 3.03Å; A159-Q162 PolarHBondContact O-N 2.79Å; Q162-A164 VanDerWaalsContact C-N 3.3Å; Q162-A164 PolarHBondContact O-N 3.11Å; Q162-T165 CarbonylContact O-C 3.48Å; Q162-T165 PolarHBondContact O-N 3.07Å; Q162-T165 VanDerWaalsContact O-N 3.07Å; Q162-T165 PolarHBondContact O-OG1 3.31Å; Q162-I179 WeakPolarHBondContact CA-O 3.2Å; Q162-I179 WeakPolarHBondContact CB-O 3.3Å; Q162-I179 WeakPolarHBondContact CG-O 3.28Å; Q162-Y180 HydrophobicContact CG-CD1 4.19Å
163Q96.4Very high95.7Very high130 Ų13065.9 Ų65.961%0.60733%0.331SS*.Hα-helixtrans-66.2-34.9177.3-73-178.3-8.500112.1A159 T165 T166A159-Q163 WeakPolarHBondContact O-CB 3.31Å; A159-Q163 WeakPolarHBondContact O-CG 3.34Å; A159-Q163 PolarHBondContact O-N 2.96Å; Q163-T165 PolarHBondContact O-N 3.22Å; Q163-T166 WeakPolarHBondContact O-CB 3.48Å; Q163-T166 VanDerWaalsContact O-CG2 3.24Å; Q163-T166 WeakPolarHBondContact O-CG2 3.42Å; Q163-T166 PolarHBondContact O-N 2.81Å; Q163-T166 PolarHBondContact O-OG1 3.47Å
164A95.4Very high95.5Very high23 Ų2371.1 Ų71.119%0.1935%0.352CS..Hα-helixtrans-65.6-20.3173.500000112.3R124 V126 L160 I161 Q162R124-A164 WeakPolarHBondContact CD-O 3.5Å; R124-A164 PolarHBondContact NE-O 3.12Å; R124-A164 PolarHBondContact NH1-O 3.45Å; V126-A164 HydrophobicContact CG2-CB 3.57Å; L160-A164 WeakPolarHBondContact O-CB 3.03Å; L160-A164 PolarHBondContact O-N 3.5Å; I161-A164 PolarHBondContact O-N 2.79Å; Q162-A164 VanDerWaalsContact C-N 3.3Å; Q162-A164 PolarHBondContact O-N 3.11Å
165T95.2Very high95.3Very high2 Ų274.7 Ų74.71%0.01237%0.367CS..THydrogen-bonded Turntrans-106.934.7176.849.90000112.4I114 F117 I161 Q162 Q163 I179I114-T165 HydrophobicContact CD1-CG2 3.59Å; I114-T165 HydrophobicContact CG2-CG2 3.9Å; F117-T165 HydrophobicContact CD2-CG2 4.26Å; F117-T165 HydrophobicContact CE2-CG2 4.47Å; F117-T165 WeakPolarHBondContact CE2-O 3.44Å; F117-T165 VanDerWaalsContact CZ-C 3.5Å; F117-T165 WeakPolarHBondContact CZ-O 3.42Å; I161-T165 PolarHBondContact O-N 2.98Å; I161-T165 VanDerWaalsContact O-N 3.14Å; I161-T165 PolarHBondContact O-OG1 3.26Å; Q162-T165 CarbonylContact O-C 3.48Å; Q162-T165 PolarHBondContact O-N 3.07Å; Q162-T165 VanDerWaalsContact O-N 3.07Å; Q162-T165 PolarHBondContact O-OG1 3.31Å; Q163-T165 PolarHBondContact O-N 3.22Å; T165-I179 HydrophobicContact CG2-CD1 4.06Å; T165-I179 HydrophobicContact CG2-CG1 4.12Å; T165-I179 PolarHBondContact OG1-N 3.17Å
166T95Very high95.2Very high61 Ų6177.5 Ų77.537%0.37438%0.379SS..  trans-82.5132.1175.3500000111.9Q163Q163-T166 WeakPolarHBondContact O-CB 3.48Å; Q163-T166 VanDerWaalsContact O-CG2 3.24Å; Q163-T166 WeakPolarHBondContact O-CG2 3.42Å; Q163-T166 PolarHBondContact O-N 2.81Å; Q163-T166 PolarHBondContact O-OG1 3.47Å
167V95.5Very high95.1Very high17 Ų1774.6 Ų74.610%0.10336%0.363CS..  trans-72.3132.4170.7-177.50000109.5F117 L118 K170 F175F117-V167 HydrophobicContact CZ-CG2 3.96Å; L118-V167 HydrophobicContact CD1-CB 4.34Å; L118-V167 HydrophobicContact CD1-CG1 3.95Å; L118-V167 HydrophobicContact CD1-CG2 3.97Å; V167-K170 HydrophobicContact CG1-CB 3.78Å; V167-K170 HydrophobicContact CG1-CD 4.1Å; V167-K170 HydrophobicContact CG1-CG 4.33Å; V167-F175 HydrophobicContact CG1-CB 4.11Å; V167-F175 HydrophobicContact CG2-CB 4.36Å
168K93.9Very high95.1Very high148 Ų14874.6 Ų74.664%0.64336%0.363SS*.  trans-119.2150.3177.1-63.2-175.6-179.6-177.90110.7K170K168-K170 PolarHBondContact O-N 2.92Å; K168-K170 VanDerWaalsContact O-N 3.11Å
169N94.3Very high95.1Very high176 Ų17674.6 Ų74.694%0.94136%0.363SS*.SBendtrans5527175-55.2-25.4000114.7
170K93.6Very high95.1Very high114 Ų11476.9 Ų76.950%0.49636%0.364SS..SBendtrans-140.9164.8174.7-61.8178.1-177.4-78.30109.4V167 K168 I172 F175V167-K170 HydrophobicContact CG1-CB 3.78Å; V167-K170 HydrophobicContact CG1-CD 4.1Å; V167-K170 HydrophobicContact CG1-CG 4.33Å; K168-K170 PolarHBondContact O-N 2.92Å; K168-K170 VanDerWaalsContact O-N 3.11Å; K170-I172 PolarHBondContact O-N 2.95Å; K170-F175 HydrophobicContact CB-CD2 3.78Å; K170-F175 HydrophobicContact CB-CE2 4.19Å; K170-F175 HydrophobicContact CB-CG 4.41Å; K170-F175 HydrophobicContact CD-CD1 4.42Å; K170-F175 HydrophobicContact CD-CD2 4.08Å; K170-F175 HydrophobicContact CD-CE2 4.19Å; K170-F175 HydrophobicContact CD-CG 4.19Å; K170-F175 HydrophobicContact CD-CZ 4.41Å; K170-F175 HydrophobicContact CG-CD2 4.44Å
171D95.3Very high95.1Very high68 Ų6876.4 Ų76.436%0.36436%0.364SS..  trans-72.9108.6175.8-168.8-16.7000110.8R173 K174 F175D171-R173 PolarHBondContact O-N 2.83Å; D171-R173 VanDerWaalsContact O-N 3.14Å; D171-R173 VanDerWaalsContact OD1-CB 3.31Å; D171-R173 WeakPolarHBondContact OD1-CB 3.43Å; D171-R173 WeakPolarHBondContact OD1-CG 3.22Å; D171-R173 IonicContact OD1-CZ 3.96Å; D171-R173 PolarHBondContact OD1-N 3.25Å; D171-R173 IonicContact OD1-NE 3.11Å; D171-R173 PolarHBondContact OD1-NE 3.48Å; D171-R173 VanDerWaalsContact OD1-NE 3.11Å; D171-R173 IonicContact OD1-NH2 3.88Å; D171-R173 IonicContact OD2-CZ 3.57Å; D171-R173 IonicContact OD2-NE 3.41Å; D171-R173 PolarHBondContact OD2-NE 3.35Å; D171-R173 IonicContact OD2-NH2 2.85Å; D171-R173 PolarHBondContact OD2-NH2 2.97Å; D171-K174 PolarHBondContact O-N 2.88Å; D171-K174 VanDerWaalsContact O-N 3.08Å; D171-F175 PolarHBondContact O-N 3.03Å
172I94.1Very high95Very high114 Ų11479.7 Ų79.759%0.58539%0.386SS*.THydrogen-bonded Turntrans-63.9-13.3179.561.2171.8000113.6K170 L176K170-I172 PolarHBondContact O-N 2.95Å; I172-L176 VanDerWaalsContact O-CD2 3.24Å; I172-L176 WeakPolarHBondContact O-CD2 3.47Å
173R93.2Very high94.9Very high198 Ų19880.6 Ų80.675%0.74739%0.391SS*.THydrogen-bonded Turntrans-83.7-18.8176.2-57.5173-63.3171.26.2112.4D171D171-R173 PolarHBondContact O-N 2.83Å; D171-R173 VanDerWaalsContact O-N 3.14Å; D171-R173 VanDerWaalsContact OD1-CB 3.31Å; D171-R173 WeakPolarHBondContact OD1-CB 3.43Å; D171-R173 WeakPolarHBondContact OD1-CG 3.22Å; D171-R173 IonicContact OD1-CZ 3.96Å; D171-R173 PolarHBondContact OD1-N 3.25Å; D171-R173 IonicContact OD1-NE 3.11Å; D171-R173 PolarHBondContact OD1-NE 3.48Å; D171-R173 VanDerWaalsContact OD1-NE 3.11Å; D171-R173 IonicContact OD1-NH2 3.88Å; D171-R173 IonicContact OD2-CZ 3.57Å; D171-R173 IonicContact OD2-NE 3.41Å; D171-R173 PolarHBondContact OD2-NE 3.35Å; D171-R173 IonicContact OD2-NH2 2.85Å; D171-R173 PolarHBondContact OD2-NH2 2.97Å
174K92.8Very high94.9Very high167 Ų16781.5 Ų81.573%0.72639%0.392SS*.THydrogen-bonded Turntrans-105.2-41178.1-171.9172.7-178175.60111.7D171 L176D171-K174 PolarHBondContact O-N 2.88Å; D171-K174 VanDerWaalsContact O-N 3.08Å; K174-L176 PolarHBondContact O-N 2.89Å
175F92.9Very high94.8Very high75 Ų7581.5 Ų81.533%0.32940%0.395SS..  trans-94.285.9175.1-64.9-81.2000109.2V167 K170 D171 D177V167-F175 HydrophobicContact CG1-CB 4.11Å; V167-F175 HydrophobicContact CG2-CB 4.36Å; K170-F175 HydrophobicContact CB-CD2 3.78Å; K170-F175 HydrophobicContact CB-CE2 4.19Å; K170-F175 HydrophobicContact CB-CG 4.41Å; K170-F175 HydrophobicContact CD-CD1 4.42Å; K170-F175 HydrophobicContact CD-CD2 4.08Å; K170-F175 HydrophobicContact CD-CE2 4.19Å; K170-F175 HydrophobicContact CD-CG 4.19Å; K170-F175 HydrophobicContact CD-CZ 4.41Å; K170-F175 HydrophobicContact CG-CD2 4.44Å; D171-F175 PolarHBondContact O-N 3.03Å; F175-D177 VanDerWaalsContact C-N 3.27Å
176L94.6Very high94.8Very high101 Ų10182.6 Ų82.653%0.52940%0.402SS..  trans-90.613.3-179.3-62.3170000112.5I172 K174 G178 Y180I172-L176 VanDerWaalsContact O-CD2 3.24Å; I172-L176 WeakPolarHBondContact O-CD2 3.47Å; K174-L176 PolarHBondContact O-N 2.89Å; L176-G178 PolarHBondContact O-N 2.69Å; L176-Y180 WeakPolarHBondContact O-CE2 3.29Å
177D95.1Very high94.6Very high7 Ų780.9 Ų80.94%0.03739%0.391CS..  trans-63.5130.9176.8-55.5-105.7000110.4V95 Y96 A97 F117 L118 F175V95-D177 CarbonylContact O-C 3.58Å; V95-D177 VanDerWaalsContact O-CA 3.3Å; V95-D177 WeakPolarHBondContact O-CA 3.42Å; Y96-D177 WeakPolarHBondContact CA-OD1 3.38Å; A97-D177 PolarHBondContact N-OD1 3.15Å; F117-D177 HydrophobicContact CE2-CB 4.1Å; F117-D177 WeakPolarHBondContact CE2-O 3.41Å; L118-D177 HydrophobicContact CD2-CB 4.05Å; F175-D177 VanDerWaalsContact C-N 3.27Å
178G95.6Very high94.3Very high0 Ų083.5 Ų83.50%041%0.407CS..EExtended strand (participates in β ladder)trans167.9172.9-178.100000113V95 L176V95-G178 PolarHBondContact N-O 3.2Å; V95-G178 PolarHBondContact O-N 3.45Å; L176-G178 PolarHBondContact O-N 2.69Å
179I96.4Very high93.6Very high0 Ų084.2 Ų84.20%041%0.412CS..EExtended strand (participates in β ladder)trans-109.1116.1173-59.1175.2000108.2M92 R93 I101 V103 I114 L144 I161 Q162 T165M92-I179 HydrophobicContact CB-CG2 3.83Å; M92-I179 HydrophobicContact CE-CG2 3.88Å; M92-I179 HydrophobicContact SD-CG2 4.3Å; R93-I179 WeakPolarHBondContact O-CA 3.24Å; I101-I179 HydrophobicContact CG2-CD1 4.26Å; V103-I179 HydrophobicContact CG2-CD1 3.8Å; I114-I179 HydrophobicContact CD1-CD1 3.96Å; I114-I179 HydrophobicContact CG1-CD1 4.24Å; I114-I179 HydrophobicContact CG2-CD1 4.28Å; L144-I179 HydrophobicContact CD1-CD1 4.04Å; L144-I179 HydrophobicContact CD1-CG2 3.93Å; I161-I179 HydrophobicContact CG2-CB 3.99Å; I161-I179 HydrophobicContact CG2-CD1 3.99Å; I161-I179 HydrophobicContact CG2-CG2 3.77Å; Q162-I179 WeakPolarHBondContact CA-O 3.2Å; Q162-I179 WeakPolarHBondContact CB-O 3.3Å; Q162-I179 WeakPolarHBondContact CG-O 3.28Å; T165-I179 HydrophobicContact CG2-CD1 4.06Å; T165-I179 HydrophobicContact CG2-CG1 4.12Å; T165-I179 PolarHBondContact OG1-N 3.17Å
180Y97Very high92.2Very high86 Ų8678.6 Ų78.634%0.33739%0.391SS..EExtended strand (participates in β ladder)trans-118.1145.6-172.6-60.6-79.7000111.5M92 R93 V95 Q162 L176 S182M92-Y180 CarbonylContact C-O 3.57Å; M92-Y180 WeakPolarHBondContact CA-O 3.35Å; M92-Y180 WeakPolarHBondContact CB-O 3.29Å; R93-Y180 PolarHBondContact N-O 2.84Å; R93-Y180 PolarHBondContact O-N 3.39Å; V95-Y180 HydrophobicContact CB-CD2 4.33Å; V95-Y180 HydrophobicContact CB-CE2 4.39Å; V95-Y180 HydrophobicContact CG2-CD2 4.07Å; Q162-Y180 HydrophobicContact CG-CD1 4.19Å; L176-Y180 WeakPolarHBondContact O-CE2 3.29Å; Y180-S182 PolarHBondContact O-N 2.83Å
181V97.3Very high90.2Very high44 Ų4481 Ų8127%0.26741%0.409SS..EExtended strand (participates in β ladder)trans-68.6116.2170.8-175.60000108.9Y90 M92 A158 K184Y90-V181 HydrophobicContact CD2-CG1 3.98Å; M92-V181 HydrophobicContact CE-CG2 3.81Å; M92-V181 HydrophobicContact CG-CG2 4.13Å; M92-V181 HydrophobicContact SD-CG2 4.42Å; A158-V181 HydrophobicContact CB-CG2 4Å; V181-K184 HydrophobicContact CG1-CG 4.05Å
182S95.1Very high87.5Confident68 Ų6890.7 Ų90.748%0.47645%0.452SS..EExtended strand (participates in β ladder)trans-93.6-39.8179.556.80000112.3K91 R93 Y180K91-S182 PolarHBondContact O-N 2.84Å; K91-S182 PolarHBondContact O-OG 3.44Å; K91-S182 VanDerWaalsContact O-OG 3.12Å; R93-S182 VanDerWaalsContact CG-CB 3.48Å; R93-S182 WeakPolarHBondContact CG-OG 3.32Å; Y180-S182 PolarHBondContact O-N 2.83Å
183E95.2Very high87.2Confident94 Ų9489.5 Ų89.544%0.43945%0.445SS..EExtended strand (participates in β ladder)trans-140.9140.7-174.2-159.8-167141.400110.6K91K91-E183 HydrophobicContact CB-CB 4.11Å; K91-E183 HydrophobicContact CD-CB 4.19Å; K91-E183 VanDerWaalsContact CD-OE2 3.31Å; K91-E183 WeakPolarHBondContact CD-OE2 3.44Å; K91-E183 WeakPolarHBondContact CE-OE2 3.43Å; K91-E183 HydrophobicContact CG-CB 4.5Å; K91-E183 PolarHBondContact N-O 3.35Å; K91-E183 IonicContact NZ-OE1 3.59Å; K91-E183 IonicContact NZ-OE2 3.88Å; K91-E183 PolarHBondContact NZ-OE2 2.78Å; K91-E183 PolarHBondContact O-N 2.9Å
184K95.4Very high86.9Confident148 Ų14883.8 Ų83.864%0.64343%0.429SS*.EExtended strand (participates in β ladder)trans-117.6109.6172.5-62.7-179.8-179.4-179.60108.2Y90 V181Y90-K184 HydrophobicContact CD1-CB 4.46Å; Y90-K184 HydrophobicContact CD1-CG 4.37Å; Y90-K184 HydrophobicContact CD2-CG 4.16Å; Y90-K184 HydrophobicContact CE1-CB 4.11Å; Y90-K184 HydrophobicContact CE1-CD 4.45Å; Y90-K184 HydrophobicContact CE1-CG 4.05Å; Y90-K184 HydrophobicContact CE2-CD 3.92Å; Y90-K184 HydrophobicContact CE2-CG 3.83Å; Y90-K184 HydrophobicContact CG-CG 4.42Å; V181-K184 HydrophobicContact CG1-CG 4.05Å
185G94.2Very high86.5Confident23 Ų2379.2 Ų79.224%0.23741%0.413CS..EExtended strand (participates in β ladder)trans-132.8-167.5-176.500000112.9R89R89-G185 PolarHBondContact N-O 3.39Å; R89-G185 CarbonylContact O-C 3.58Å; R89-G185 WeakPolarHBondContact O-CA 3.05Å; R89-G185 PolarHBondContact O-N 3.14Å; R89-G185 VanDerWaalsContact O-O 3.09Å
186T93.9Very high86.2Confident26 Ų2679.4 Ų79.416%0.1642%0.418CS..EExtended strand (participates in β ladder)trans-110.2160.9172.348.70000110.7K82 L86 G87 R89 V188K82-T186 HydrophobicContact CD-CG2 4.4Å; K82-T186 HydrophobicContact CG-CG2 4.42Å; L86-T186 HydrophobicContact CB-CG2 3.96Å; L86-T186 HydrophobicContact CD1-CG2 4.11Å; G87-T186 VanDerWaalsContact O-CA 3.23Å; G87-T186 WeakPolarHBondContact O-CA 3.48Å; G87-T186 VanDerWaalsContact O-CB 3.31Å; G87-T186 WeakPolarHBondContact O-CB 3.24Å; G87-T186 WeakPolarHBondContact O-CG2 3.49Å; R89-T186 PolarHBondContact NH1-O 2.92Å; T186-V188 VanDerWaalsContact CB-O 3.25Å; T186-V188 WeakPolarHBondContact CB-O 3.49Å; T186-V188 PolarHBondContact OG1-O 3.14Å
187V90.8Very high85.6Confident24 Ų2478.1 Ų78.115%0.14541%0.411CS..SBendtrans-75.8-46.7177.9175.20000110R31 L86 G87 R89 E147R31-V187 VanDerWaalsContact NH1-CB 3.3Å; L86-V187 WeakPolarHBondContact O-CB 3.31Å; L86-V187 PolarHBondContact O-N 3.24Å; G87-V187 PolarHBondContact O-N 3.06Å; R89-V187 HydrophobicContact CB-CG2 3.95Å; R89-V187 PolarHBondContact NH1-O 2.85Å; R89-V187 PolarHBondContact NH2-O 3.41Å; E147-V187 HydrophobicContact CB-CG2 4.19Å; E147-V187 HydrophobicContact CG-CG2 4.09Å
188V89.1Confident85Confident72 Ų7282.8 Ų82.844%0.43644%0.436SS..SBendtrans-94.3126.6169.3-174.90000107.7L86 T186 A190L86-V188 HydrophobicContact CD2-CB 4.17Å; L86-V188 HydrophobicContact CD2-CG1 4.32Å; L86-V188 PolarHBondContact O-N 3.16Å; L86-V188 VanDerWaalsContact O-N 3.08Å; T186-V188 VanDerWaalsContact CB-O 3.25Å; T186-V188 WeakPolarHBondContact CB-O 3.49Å; T186-V188 PolarHBondContact OG1-O 3.14Å; V188-A190 PolarHBondContact O-N 3.11Å
189E79.6Confident84.3Confident163 Ų16388.7 Ų88.776%0.76247%0.467SS*.PPolyproline II helixtrans-68.2126.3169.8-65.8-177.8174.400107.4D191E189-D191 PolarHBondContact O-N 2.96Å
190A64.4Low83.3Confident59 Ų5995.5 Ų95.549%0.48850%0.503SS..PPolyproline II helixtrans-72.6123.2171.500000107L86 V188 Q192L86-A190 HydrophobicContact CD1-CB 3.9Å; L86-A190 HydrophobicContact CD2-CB 4.33Å; V188-A190 PolarHBondContact O-N 3.11Å; A190-Q192 PolarHBondContact O-N 3.08Å; A190-Q192 VanDerWaalsContact O-N 3.15Å
191D53.2Low82.2Confident165 Ų16596.3 Ų96.388%0.88252%0.516SS*.PPolyproline II helixtrans-50.9122167-65-35.4000107.6E189E189-D191 PolarHBondContact O-N 2.96Å
192Q38.2Very low80.8Confident270 Ų270101.1 Ų101.1100%1.26254%0.539SS*.  trans-64.20178.8-79.9-175.4-2400111.7A190A190-Q192 PolarHBondContact O-N 3.08Å; A190-Q192 VanDerWaalsContact O-N 3.15Å

Retrieved 192 of 192 residues in 1043.3 ms (Link to these results)

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