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Large ribosomal subunit protein uL6

AlphaFold DB , UniProt , Accession P50882, Species DROME (Drosophila melanogaster, Fruit fly), Gene RpL9, Length 190 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
1M84Confident92.8Very high230 Ų23095.8 Ų95.8100%1.13347%0.474SS*.  0128.90-166.5177.5-173.600108.7
2R87.8Confident93Very high172 Ų17288.6 Ų88.665%0.64944%0.439SS*.  trans-98.3128171.2-70.9-176.4-179.2178.90.2107.9
3T91.7Very high93.1Very high60 Ų6086.3 Ų86.337%0.36843%0.434SS..EExtended strand (participates in β ladder)trans-78129.7175.6-53.20000108.2N5 F59 G60 L65T3-N5 WeakPolarHBondContact CG2-O 3.39Å; T3-F59 CarbonylContact O-C 3.51Å; T3-F59 WeakPolarHBondContact O-CA 3.43Å; T3-F59 PolarHBondContact O-N 3.45Å; T3-G60 PolarHBondContact N-O 2.81Å; T3-G60 PolarHBondContact O-N 2.92Å; T3-L65 WeakPolarHBondContact OG1-CD1 3.5Å
4I93.8Very high92.9Very high114 Ų11491.6 Ų91.659%0.58545%0.453SS*.EExtended strand (participates in β ladder)trans-59.4-52.4-174.1-64.1172.9000110.6W58 F59I4-W58 HydrophobicContact CG2-CE3 4.34Å; I4-W58 HydrophobicContact CG2-CZ3 4.17Å; I4-W58 WeakPolarHBondContact O-CA 3.46Å; I4-W58 VanDerWaalsContact O-CE3 3.29Å; I4-F59 HydrophobicContact CG2-CE1 4.41Å; I4-F59 PolarHBondContact O-N 2.77Å
5N92.9Very high92.8Very high51 Ų5194.7 Ų94.727%0.27347%0.472SS..EExtended strand (participates in β ladder)trans-139.1138.2173.9-172.56000109.4T3 E56 W58T3-N5 WeakPolarHBondContact CG2-O 3.39Å; N5-E56 PolarHBondContact ND2-OE1 3.42Å; N5-W58 HydrophobicContact CB-CD2 4.37Å; N5-W58 HydrophobicContact CB-CE3 3.88Å; N5-W58 HydrophobicContact CB-CH2 4.1Å; N5-W58 HydrophobicContact CB-CZ3 3.74Å
6S93.5Very high92.9Very high36 Ų3689.7 Ų89.725%0.25245%0.447SS..EExtended strand (participates in β ladder)trans-133.2129166.5-179.10000108.2E56 K57S6-E56 CarbonylContact O-C 3.59Å; S6-E56 WeakPolarHBondContact O-CA 3.29Å; S6-K57 PolarHBondContact N-O 3.43Å; S6-K57 PolarHBondContact O-N 2.69Å
7N94.4Very high93Very high81 Ų8193.6 Ų93.643%0.43346%0.461SS..EExtended strand (participates in β ladder)trans-134.8158.3-178.46220.6000112.4K54 V55 E56N7-K54 WeakPolarHBondContact ND2-CE 3.29Å; N7-V55 CarbonylContact C-O 3.54Å; N7-V55 VanDerWaalsContact CA-O 3.26Å; N7-V55 WeakPolarHBondContact CA-O 3.34Å; N7-E56 HydrophobicContact CB-CB 4.15Å; N7-E56 HydrophobicContact CB-CG 3.53Å; N7-E56 WeakPolarHBondContact CB-OE1 3.34Å; N7-E56 PolarHBondContact ND2-OE1 3.42Å
8Q95.6Very high93.2Very high64 Ų6489.2 Ų89.230%0.29944%0.442SS..EExtended strand (participates in β ladder)trans-146.7143.5170.3-171.2170.6-12.200108.9V55 V68 C72Q8-V55 PolarHBondContact N-O 2.79Å; Q8-V55 PolarHBondContact O-N 2.85Å; Q8-V68 HydrophobicContact CB-CG1 3.9Å; Q8-C72 HydrophobicContact CG-CB 4.36Å
9C95.5Very high93.3Very high63 Ų6387.4 Ų87.443%0.42644%0.439SS..EExtended strand (participates in β ladder)trans-111.4133.9-179.6-66.30000109.8T52 L53C9-T52 HydrophobicContact CB-CG2 3.78Å; C9-L53 CarbonylContact C-O 3.59Å; C9-L53 WeakPolarHBondContact CA-O 3.36Å
10V96.1Very high93.4Very high2 Ų284.8 Ų84.81%0.01243%0.427CS..EExtended strand (participates in β ladder)trans-102.2125.5170.1-177.30000108.3L53 C72 I75 E76 I79V10-L53 HydrophobicContact CB-CB 4.49Å; V10-L53 PolarHBondContact N-O 3.01Å; V10-L53 PolarHBondContact O-N 2.79Å; V10-C72 HydrophobicContact CG2-CB 3.67Å; V10-I75 HydrophobicContact CB-CG2 4.37Å; V10-I75 HydrophobicContact CG1-CG2 3.96Å; V10-I75 HydrophobicContact CG2-CB 4.48Å; V10-I75 HydrophobicContact CG2-CG2 4.41Å; V10-E76 HydrophobicContact CG1-CG 3.77Å; V10-E76 HydrophobicContact CG2-CG 4.49Å; V10-I79 HydrophobicContact CG1-CD1 3.84Å
11K95.4Very high93.5Very high181 Ų18189.2 Ų89.279%0.78744%0.444SS*.EExtended strand (participates in β ladder)trans-79.3130.3175.5-64.5-178.6-177.9177.90109.4
12I95Very high93.9Very high9 Ų981.7 Ų81.75%0.04642%0.419CS..PPolyproline II helixtrans-101.6120177.9-59.1156.2000108.3I16 A18 M47 R51 L53 I79I12-I16 HydrophobicContact CG2-CB 4.16Å; I12-I16 HydrophobicContact CG2-CG2 4.21Å; I12-A18 HydrophobicContact CD1-CB 3.5Å; I12-A18 HydrophobicContact CG1-CB 4.11Å; I12-A18 HydrophobicContact CG2-CB 4.28Å; I12-M47 HydrophobicContact CD1-CE 3.48Å; I12-M47 VanDerWaalsContact CD1-CE 3.48Å; I12-M47 HydrophobicContact CD1-SD 4.49Å; I12-R51 PolarHBondContact N-O 2.84Å; I12-L53 HydrophobicContact CD1-CB 4.08Å; I12-I79 HydrophobicContact CG1-CD1 4.46Å
13P94Very high94.3Very high59 Ų5977.7 Ų77.738%0.38340%0.403SS..PPolyproline II helixtrans-55.3155.2172.2-26.334.1000113.1D15 I16 I79P13-D15 PolarHBondContact O-N 3.09Å; P13-I16 HydrophobicContact CB-CD1 3.89Å; P13-I16 HydrophobicContact CB-CG1 4.33Å; P13-I16 HydrophobicContact CG-CD1 3.74Å; P13-I16 PolarHBondContact O-N 2.9Å; P13-I79 HydrophobicContact CG-CG2 4.02Å
14K91Very high94.5Very high161 Ų16176 Ų7670%0.739%0.393SS*.THydrogen-bonded Turntrans-62.1-31.1-175.5-66.9-178.1-1761730113.3I16K14-I16 VanDerWaalsContact C-N 3.25Å; K14-I16 PolarHBondContact O-N 3.06Å
15D91Very high94.6Very high137 Ų13770.5 Ų70.573%0.73337%0.365SS*.THydrogen-bonded Turntrans-87.35.2-172.6-47-43.9000113.1P13P13-D15 PolarHBondContact O-N 3.09Å
16I94.5Very high94.8Very high15 Ų1569.7 Ų69.78%0.07736%0.362CS..  trans-121.2132.2-172.5-61.1172.3000109.5I12 P13 K14 I27 T28 I79 V82 T83I12-I16 HydrophobicContact CG2-CB 4.16Å; I12-I16 HydrophobicContact CG2-CG2 4.21Å; P13-I16 HydrophobicContact CB-CD1 3.89Å; P13-I16 HydrophobicContact CB-CG1 4.33Å; P13-I16 HydrophobicContact CG-CD1 3.74Å; P13-I16 PolarHBondContact O-N 2.9Å; K14-I16 VanDerWaalsContact C-N 3.25Å; K14-I16 PolarHBondContact O-N 3.06Å; I16-I27 HydrophobicContact CG2-CG2 3.43Å; I16-I27 VanDerWaalsContact CG2-CG2 3.43Å; I16-T28 WeakPolarHBondContact CG2-O 3.2Å; I16-I79 HydrophobicContact CD1-CB 4.49Å; I16-I79 HydrophobicContact CD1-CG2 3.57Å; I16-V82 HydrophobicContact CD1-CG2 4.46Å; I16-V82 HydrophobicContact CG2-CG2 4.41Å; I16-T83 WeakPolarHBondContact CD1-OG1 3.37Å
17K95.1Very high95Very high156 Ų15668 Ų6868%0.67835%0.35SS*.EExtended strand (participates in β ladder)trans-98.3114.9173.4-174.7178.6-179.3179.90109.1T28K17-T28 PolarHBondContact N-O 3.12Å; K17-T28 PolarHBondContact O-N 3.02Å
18A96Very high95.1Very high15 Ų1566.6 Ų66.612%0.12434%0.344CS..EExtended strand (participates in β ladder)trans-104.4148171.100000110.8I12 T26 M47I12-A18 HydrophobicContact CD1-CB 3.5Å; I12-A18 HydrophobicContact CG1-CB 4.11Å; I12-A18 HydrophobicContact CG2-CB 4.28Å; A18-T26 CarbonylContact C-O 3.58Å; A18-T26 WeakPolarHBondContact CA-O 3.33Å; A18-M47 HydrophobicContact CB-CE 4.06Å; A18-M47 HydrophobicContact CB-SD 4.14Å
19S95.4Very high95.1Very high55 Ų5564.3 Ų64.339%0.38534%0.338SS..EExtended strand (participates in β ladder)trans-144.5146.3170.261.40000110.5V25 T26S19-V25 WeakPolarHBondContact O-CA 3.4Å; S19-T26 PolarHBondContact N-O 3.14Å; S19-T26 PolarHBondContact O-N 2.86Å; S19-T26 WeakPolarHBondContact OG-CB 3.35Å
20V95.4Very high95Very high34 Ų3466.9 Ų66.921%0.20635%0.352CS..EExtended strand (participates in β ladder)trans-129122.2178-173.80000108.7V24 V25 M45 M47 L53V20-V24 WeakPolarHBondContact CA-O 3.41Å; V20-V25 HydrophobicContact CG2-CG2 4.24Å; V20-M45 HydrophobicContact CG1-CB 3.8Å; V20-M47 HydrophobicContact CG2-CG 4.15Å; V20-M47 HydrophobicContact CG2-SD 4.29Å; V20-L53 HydrophobicContact CG2-CD1 3.42Å; V20-L53 VanDerWaalsContact CG2-CD1 3.42Å; V20-L53 HydrophobicContact CG2-CG 3.96Å
21K94.8Very high94.9Very high178 Ų17870.9 Ų70.977%0.77437%0.367SS*.EExtended strand (participates in β ladder)trans-134.6117.8174.6-173.5176.7-177.8177.10109.5R23 V24K21-R23 PolarHBondContact O-N 3.34Å; K21-V24 PolarHBondContact N-O 2.82Å; K21-V24 VanDerWaalsContact O-CB 3.3Å; K21-V24 WeakPolarHBondContact O-CB 3.41Å; K21-V24 PolarHBondContact O-N 2.74Å
22A93.6Very high94.9Very high73 Ų7363.5 Ų63.560%0.60334%0.342SS*.THydrogen-bonded Turntrans49.250.7178.500000113.7V24A22-V24 PolarHBondContact O-N 2.8Å
23R94.9Very high95Very high87 Ų8766.9 Ų66.933%0.32836%0.363SS..THydrogen-bonded Turntrans6116.6-176.4-60.7172.4-75.9177.4-5.2115K21 F38 K39 L41 L43 M45K21-R23 PolarHBondContact O-N 3.34Å; R23-F38 PolarHBondContact O-N 3.46Å; R23-K39 HydrophobicContact CB-CG 4.41Å; R23-K39 PolarHBondContact NH1-O 2.85Å; R23-L41 WeakPolarHBondContact CD-O 3.4Å; R23-L41 PolarHBondContact NH1-O 3.49Å; R23-L43 VanDerWaalsContact CD-O 3.28Å; R23-L43 WeakPolarHBondContact CD-O 2.98Å; R23-M45 HydrophobicContact CB-SD 4.29Å; R23-M45 HydrophobicContact CG-SD 4.38Å
24V96.7Very high95.1Very high24 Ų2465.2 Ų65.215%0.14535%0.351CS..EExtended strand (participates in β ladder)trans-100.6117.8168.4-175.30000108.1V20 K21 A22 K35 R36V20-V24 WeakPolarHBondContact CA-O 3.41Å; K21-V24 PolarHBondContact N-O 2.82Å; K21-V24 VanDerWaalsContact O-CB 3.3Å; K21-V24 WeakPolarHBondContact O-CB 3.41Å; K21-V24 PolarHBondContact O-N 2.74Å; A22-V24 PolarHBondContact O-N 2.8Å; V24-K35 HydrophobicContact CG1-CD 4.41Å; V24-K35 HydrophobicContact CG1-CG 3.93Å; V24-R36 CarbonylContact C-O 3.6Å; V24-R36 WeakPolarHBondContact CA-O 3.46Å
25V96.8Very high95.4Very high0 Ų065.1 Ų65.10%035%0.351CS..EExtended strand (participates in β ladder)trans-97.1130178.4-175.60000108.6S19 V20 I27 K35 R36 F38 M45 L53 I75S19-V25 WeakPolarHBondContact O-CA 3.4Å; V20-V25 HydrophobicContact CG2-CG2 4.24Å; V25-I27 HydrophobicContact CG1-CD1 4.17Å; V25-I27 HydrophobicContact CG1-CG1 3.83Å; V25-K35 WeakPolarHBondContact O-CA 3.44Å; V25-R36 PolarHBondContact N-O 3.2Å; V25-R36 PolarHBondContact O-N 3.46Å; V25-F38 HydrophobicContact CB-CE2 4.38Å; V25-F38 HydrophobicContact CG2-CD2 3.97Å; V25-F38 HydrophobicContact CG2-CE2 3.95Å; V25-M45 HydrophobicContact CG2-CE 3.33Å; V25-M45 HydrophobicContact CG2-SD 4.47Å; V25-L53 HydrophobicContact CG1-CD1 4.14Å; V25-I75 HydrophobicContact CG1-CG1 4.35Å; V25-I75 HydrophobicContact CG2-CD1 4.14Å; V25-I75 HydrophobicContact CG2-CG1 4.39Å
26T97.3Very high95.7Very high34 Ų3461.2 Ų61.221%0.20933%0.326CS..EExtended strand (participates in β ladder)trans-121.7125.5171.7-49.20000108.3A18 S19 T33 L34A18-T26 CarbonylContact C-O 3.58Å; A18-T26 WeakPolarHBondContact CA-O 3.33Å; S19-T26 PolarHBondContact N-O 3.14Å; S19-T26 PolarHBondContact O-N 2.86Å; S19-T26 WeakPolarHBondContact OG-CB 3.35Å; T26-T33 HydrophobicContact CG2-CG2 3.52Å; T26-L34 WeakPolarHBondContact CA-O 3.3Å
27I97Very high95.8Very high0 Ų063.3 Ų63.30%034%0.342CS..EExtended strand (participates in β ladder)trans-120.7123.4180-50.3-168.3000107.8I16 V25 T33 L34 I75 M78 I79 V82I16-I27 HydrophobicContact CG2-CG2 3.43Å; I16-I27 VanDerWaalsContact CG2-CG2 3.43Å; V25-I27 HydrophobicContact CG1-CD1 4.17Å; V25-I27 HydrophobicContact CG1-CG1 3.83Å; I27-T33 CarbonylContact O-C 3.48Å; I27-T33 WeakPolarHBondContact O-CA 3.25Å; I27-L34 PolarHBondContact N-O 2.94Å; I27-L34 PolarHBondContact O-N 3.35Å; I27-I75 HydrophobicContact CD1-CG2 3.79Å; I27-M78 HydrophobicContact CB-CE 4.43Å; I27-M78 HydrophobicContact CD1-CB 3.47Å; I27-M78 VanDerWaalsContact CD1-CB 3.47Å; I27-M78 HydrophobicContact CD1-CE 4.27Å; I27-M78 HydrophobicContact CD1-CG 4.5Å; I27-M78 HydrophobicContact CD1-SD 4.31Å; I27-M78 HydrophobicContact CG1-CB 4.23Å; I27-M78 HydrophobicContact CG1-CE 3.96Å; I27-I79 HydrophobicContact CD1-CG1 3.72Å; I27-I79 HydrophobicContact CG2-CG1 4.14Å; I27-V82 HydrophobicContact CG2-CG2 3.77Å
28T96.8Very high95.9Very high52 Ų5256 Ų5632%0.31931%0.31SS..EExtended strand (participates in β ladder)trans-117.9125.8178.7-59.90000108.8I16 K17 T33I16-T28 WeakPolarHBondContact CG2-O 3.2Å; K17-T28 PolarHBondContact N-O 3.12Å; K17-T28 PolarHBondContact O-N 3.02Å; T28-T33 WeakPolarHBondContact CG2-OG1 3.46Å; T28-T33 WeakPolarHBondContact OG1-CG2 3.28Å; T28-T33 PolarHBondContact OG1-OG1 3Å
29G94.6Very high95.9Very high16 Ų1660.9 Ų60.917%0.16533%0.328CS..EExtended strand (participates in β ladder)trans-135.4-168.3175.800000111.1R31 G32G29-R31 VanDerWaalsContact C-N 3.31Å; G29-R31 PolarHBondContact O-N 2.91Å; G29-G32 PolarHBondContact N-O 2.98Å; G29-G32 PolarHBondContact O-N 2.78Å
30T93.8Very high95.9Very high116 Ų11665.1 Ų65.171%0.71234%0.342SS*.THydrogen-bonded Turntrans-62.6-34.2-175.651.40000113.3V82T30-V82 PolarHBondContact N-O 3.35Å
31R93.7Very high95.8Very high86 Ų8665.4 Ų65.433%0.32534%0.342SS..THydrogen-bonded Turntrans-86-8-179.2-59.7-175.563.895.91.6114.5G29 V82 F84 G85 N147G29-R31 VanDerWaalsContact C-N 3.31Å; G29-R31 PolarHBondContact O-N 2.91Å; R31-V82 VanDerWaalsContact CB-O 3.3Å; R31-V82 WeakPolarHBondContact CB-O 3.44Å; R31-V82 WeakPolarHBondContact CG-O 3.3Å; R31-V82 PolarHBondContact N-O 2.84Å; R31-F84 VanDerWaalsContact CD-C 3.46Å; R31-G85 VanDerWaalsContact CD-N 3.32Å; R31-N147 PolarHBondContact NE-OD1 3.1Å; R31-N147 VanDerWaalsContact NE-OD1 3.15Å; R31-N147 PolarHBondContact O-ND2 2.96Å
32G94.9Very high95.7Very high27 Ų2760 Ų6028%0.27833%0.33SS..EExtended strand (participates in β ladder)trans140.4-157.9-179.600000114.1G29G29-G32 PolarHBondContact N-O 2.98Å; G29-G32 PolarHBondContact O-N 2.78Å
33T96.9Very high95.7Very high79 Ų7956.9 Ų56.949%0.48530%0.303SS..EExtended strand (participates in β ladder)trans-125.9132.5-176.7-62.50000110.9T26 I27 T28T26-T33 HydrophobicContact CG2-CG2 3.52Å; I27-T33 CarbonylContact O-C 3.48Å; I27-T33 WeakPolarHBondContact O-CA 3.25Å; T28-T33 WeakPolarHBondContact CG2-OG1 3.46Å; T28-T33 WeakPolarHBondContact OG1-CG2 3.28Å; T28-T33 PolarHBondContact OG1-OG1 3Å
34L97.5Very high95.7Very high24 Ų2456.8 Ų56.813%0.12631%0.309CS..EExtended strand (participates in β ladder)trans-113.3141171.4-66.4178.1000110.2T26 I27 M78 V82 N147 D148T26-L34 WeakPolarHBondContact CA-O 3.3Å; I27-L34 PolarHBondContact N-O 2.94Å; I27-L34 PolarHBondContact O-N 3.35Å; L34-M78 HydrophobicContact CB-CE 3.64Å; L34-M78 HydrophobicContact CB-CG 4.42Å; L34-M78 HydrophobicContact CD1-CB 4.18Å; L34-M78 HydrophobicContact CD1-CG 4.26Å; L34-M78 WeakPolarHBondContact O-CE 3.43Å; L34-V82 HydrophobicContact CB-CG1 4.21Å; L34-V82 HydrophobicContact CD1-CG1 3.92Å; L34-V82 HydrophobicContact CG-CG1 3.75Å; L34-N147 HydrophobicContact CD2-CB 4.22Å; L34-D148 HydrophobicContact CD2-CB 3.96Å
35K97.3Very high95.6Very high160 Ų16056.6 Ų56.670%0.69631%0.307SS*.EExtended strand (participates in β ladder)trans-131.5129.9-180-176.4-179.9178.5-176.60110V24 V25V24-K35 HydrophobicContact CG1-CD 4.41Å; V24-K35 HydrophobicContact CG1-CG 3.93Å; V25-K35 WeakPolarHBondContact O-CA 3.44Å
36R96.7Very high95.5Very high55 Ų5561 Ų6121%0.20833%0.325CS..EExtended strand (participates in β ladder)trans-139.4140.5-179.7-170.7167.8-176.6142.12.8112.4V24 V25 F38 H74 M78 E150V24-R36 CarbonylContact C-O 3.6Å; V24-R36 WeakPolarHBondContact CA-O 3.46Å; V25-R36 PolarHBondContact N-O 3.2Å; V25-R36 PolarHBondContact O-N 3.46Å; R36-F38 HydrophobicContact CB-CE2 4.22Å; R36-F38 HydrophobicContact CB-CZ 4.44Å; R36-F38 VanDerWaalsContact CD-CZ 3.48Å; R36-F38 HydrophobicContact CG-CE1 4.3Å; R36-F38 HydrophobicContact CG-CE2 3.99Å; R36-F38 HydrophobicContact CG-CZ 3.85Å; R36-H74 PolarHBondContact NH1-ND1 3.26Å; R36-H74 PolarHBondContact NH2-CE1 3.49Å; R36-H74 VanDerWaalsContact NH2-CE1 3.26Å; R36-H74 PolarHBondContact NH2-ND1 3.26Å; R36-M78 HydrophobicContact CB-CE 3.92Å; R36-M78 HydrophobicContact CB-SD 3.68Å; R36-E150 IonicContact CZ-OE1 3.36Å; R36-E150 IonicContact CZ-OE2 3.42Å; R36-E150 IonicContact NH1-OE1 3Å; R36-E150 PolarHBondContact NH1-OE1 3.01Å; R36-E150 IonicContact NH1-OE2 3.2Å; R36-E150 PolarHBondContact NH1-OE2 3.16Å; R36-E150 VanDerWaalsContact NH2-CD 3.32Å; R36-E150 IonicContact NH2-OE1 3.07Å; R36-E150 PolarHBondContact NH2-OE1 3Å; R36-E150 IonicContact NH2-OE2 3Å; R36-E150 PolarHBondContact NH2-OE2 3.39Å; R36-E150 VanDerWaalsContact NH2-OE2 3.07Å
37S97.1Very high95.4Very high59 Ų5962 Ų6241%0.41333%0.327SS..EExtended strand (participates in β ladder)trans-103.5125.2179.1179.70000111.3K39S37-K39 WeakPolarHBondContact OG-CG 3.48Å
38F96.5Very high95.2Very high3 Ų365 Ų651%0.01335%0.347CS..  trans-110.422.4172.9-60.7-77.8000112.3R23 V25 R36 H40 L41 M45 V71 H74 I75R23-F38 PolarHBondContact O-N 3.46Å; V25-F38 HydrophobicContact CB-CE2 4.38Å; V25-F38 HydrophobicContact CG2-CD2 3.97Å; V25-F38 HydrophobicContact CG2-CE2 3.95Å; R36-F38 HydrophobicContact CB-CE2 4.22Å; R36-F38 HydrophobicContact CB-CZ 4.44Å; R36-F38 VanDerWaalsContact CD-CZ 3.48Å; R36-F38 HydrophobicContact CG-CE1 4.3Å; R36-F38 HydrophobicContact CG-CE2 3.99Å; R36-F38 HydrophobicContact CG-CZ 3.85Å; F38-H40 PolarHBondContact O-N 3.13Å; F38-L41 HydrophobicContact CD1-CD1 4.43Å; F38-L41 PolarHBondContact O-N 3.24Å; F38-M45 HydrophobicContact CB-SD 4.14Å; F38-M45 HydrophobicContact CD2-CE 4.06Å; F38-M45 HydrophobicContact CD2-SD 4.24Å; F38-V71 HydrophobicContact CD1-CB 4.48Å; F38-V71 HydrophobicContact CD1-CG1 4.24Å; F38-V71 HydrophobicContact CD1-CG2 3.71Å; F38-V71 HydrophobicContact CD2-CG1 4.14Å; F38-V71 HydrophobicContact CE1-CB 4.44Å; F38-V71 HydrophobicContact CE1-CG1 4.24Å; F38-V71 HydrophobicContact CE1-CG2 4.03Å; F38-V71 HydrophobicContact CE2-CG1 4.15Å; F38-V71 HydrophobicContact CG-CG1 4.17Å; F38-V71 HydrophobicContact CG-CG2 4.19Å; F38-V71 HydrophobicContact CZ-CG1 4.17Å; F38-H74 HydrophobicContact CE1-CB 4.06Å; F38-H74 HydrophobicContact CZ-CB 3.71Å; F38-I75 HydrophobicContact CE2-CG1 4.33Å
39K95.3Very high95Very high116 Ų11667.5 Ų67.550%0.50436%0.358SS..THydrogen-bonded Turntrans-58.6-23-177.9-70-177.6179.6-1750114.5R23 S37 L41R23-K39 HydrophobicContact CB-CG 4.41Å; R23-K39 PolarHBondContact NH1-O 2.85Å; S37-K39 WeakPolarHBondContact OG-CG 3.48Å; K39-L41 PolarHBondContact O-N 2.98Å
40H95.2Very high94.8Very high145 Ų14576 Ų7667%0.67139%0.391SS*.THydrogen-bonded Turntrans-71-17.5177.362.1-81.6000113F38F38-H40 PolarHBondContact O-N 3.13Å
41L94.2Very high94.8Very high39 Ų3977.2 Ų77.220%0.20438%0.382CS..SBendtrans-102.1129.2178-59.1172.2000110.1R23 F38 K39 L43 A67 V71R23-L41 WeakPolarHBondContact CD-O 3.4Å; R23-L41 PolarHBondContact NH1-O 3.49Å; F38-L41 HydrophobicContact CD1-CD1 4.43Å; F38-L41 PolarHBondContact O-N 3.24Å; K39-L41 PolarHBondContact O-N 2.98Å; L41-L43 HydrophobicContact CB-CD1 3.69Å; L41-L43 HydrophobicContact CB-CG 3.92Å; L41-L43 HydrophobicContact CD1-CD1 3.83Å; L41-L43 HydrophobicContact CG-CD1 4.36Å; L41-L43 PolarHBondContact O-N 2.9Å; L41-A67 HydrophobicContact CD1-CB 4.23Å; L41-A67 HydrophobicContact CD2-CB 4.08Å; L41-V71 HydrophobicContact CD1-CG2 3.39Å
42A92.4Very high94.8Very high64 Ų6474.9 Ų74.953%0.52938%0.377SS..  trans-77.574.5173.100000110.2K57A42-K57 WeakPolarHBondContact O-CD 3.27Å; A42-K57 PolarHBondContact O-NZ 3.25Å
43L93.7Very high94.8Very high8 Ų873.6 Ų73.64%0.04236%0.364CS..  trans-128.1144.2-178.4-65.4171000110.3R23 L41 V55 K57 A67 V68 V71R23-L43 VanDerWaalsContact CD-O 3.28Å; R23-L43 WeakPolarHBondContact CD-O 2.98Å; L41-L43 HydrophobicContact CB-CD1 3.69Å; L41-L43 HydrophobicContact CB-CG 3.92Å; L41-L43 HydrophobicContact CD1-CD1 3.83Å; L41-L43 HydrophobicContact CG-CD1 4.36Å; L41-L43 PolarHBondContact O-N 2.9Å; L43-V55 HydrophobicContact CB-CG1 4.41Å; L43-V55 HydrophobicContact CD1-CG1 4.18Å; L43-K57 HydrophobicContact CD2-CB 3.68Å; L43-K57 HydrophobicContact CD2-CD 3.93Å; L43-K57 HydrophobicContact CD2-CG 4.19Å; L43-A67 HydrophobicContact CD1-CB 4.48Å; L43-V68 HydrophobicContact CD2-CG2 3.7Å; L43-V71 HydrophobicContact CD1-CB 4.41Å; L43-V71 HydrophobicContact CD1-CG2 3.63Å
44D94.2Very high94.8Very high85 Ų8571.9 Ų71.946%0.45535%0.35SS..EExtended strand (participates in β ladder)trans-90.5127.4171.5-66.4-38.2000109.3V55 E56D44-V55 CarbonylContact O-C 3.6Å; D44-V55 WeakPolarHBondContact O-CA 3.07Å; D44-E56 PolarHBondContact N-O 2.92Å; D44-E56 PolarHBondContact O-N 2.75Å
45M95.5Very high94.8Very high21 Ų2170.7 Ų70.710%0.10334%0.344CS..EExtended strand (participates in β ladder)trans-131.3118-178.3-58.617872.300109V20 R23 V25 F38 L53 K54 V55 V71 I75V20-M45 HydrophobicContact CG1-CB 3.8Å; R23-M45 HydrophobicContact CB-SD 4.29Å; R23-M45 HydrophobicContact CG-SD 4.38Å; V25-M45 HydrophobicContact CG2-CE 3.33Å; V25-M45 HydrophobicContact CG2-SD 4.47Å; F38-M45 HydrophobicContact CB-SD 4.14Å; F38-M45 HydrophobicContact CD2-CE 4.06Å; F38-M45 HydrophobicContact CD2-SD 4.24Å; M45-L53 HydrophobicContact CE-CD2 4.27Å; M45-K54 WeakPolarHBondContact CA-O 3.11Å; M45-V55 HydrophobicContact CE-CG2 4.14Å; M45-V55 HydrophobicContact CG-CG1 4.26Å; M45-V55 HydrophobicContact CG-CG2 4.32Å; M45-V71 HydrophobicContact CE-CG1 3.51Å; M45-V71 HydrophobicContact SD-CG1 4.11Å; M45-I75 HydrophobicContact CE-CD1 3.67Å
46Y94.4Very high94.7Very high93 Ų9363.5 Ų63.537%0.36531%0.313SS..EExtended strand (participates in β ladder)trans-149162.9178.960.7-85.9000110.6P48 K54 E56Y46-P48 HydrophobicContact CE2-CB 4.4Å; Y46-P48 WeakPolarHBondContact O-CD 3.38Å; Y46-K54 HydrophobicContact CE2-CB 4.4Å; Y46-K54 HydrophobicContact CE2-CD 4.15Å; Y46-K54 PolarHBondContact N-O 3.01Å; Y46-K54 VanDerWaalsContact N-O 3.12Å; Y46-K54 PolarHBondContact O-N 3.18Å; Y46-K54 WeakPolarHBondContact OH-CD 3.45Å; Y46-K54 PolarHBondContact OH-NZ 2.82Å; Y46-E56 HydrophobicContact CE1-CG 4.23Å; Y46-E56 WeakPolarHBondContact CE1-OE2 3.33Å; Y46-E56 PolarHBondContact OH-OE2 3.28Å
47M94.7Very high94.6Very high54 Ų5461.9 Ų61.927%0.26631%0.307SS..EExtended strand (participates in β ladder)trans-108.798.6177.6-68.4-179.463.300108.1I12 A18 V20 D49 T52 L53I12-M47 HydrophobicContact CD1-CE 3.48Å; I12-M47 VanDerWaalsContact CD1-CE 3.48Å; I12-M47 HydrophobicContact CD1-SD 4.49Å; A18-M47 HydrophobicContact CB-CE 4.06Å; A18-M47 HydrophobicContact CB-SD 4.14Å; V20-M47 HydrophobicContact CG2-CG 4.15Å; V20-M47 HydrophobicContact CG2-SD 4.29Å; M47-D49 PolarHBondContact O-N 3.44Å; M47-T52 WeakPolarHBondContact CA-O 3.32Å; M47-L53 HydrophobicContact CG-CB 4.33Å; M47-L53 HydrophobicContact CG-CG 4.32Å
48P92.9Very high94.6Very high63 Ų6364.7 Ų64.741%0.40931%0.309SS..EExtended strand (participates in β ladder)trans-59.1-36.6173.922.5-33.7000111.6Y46 T52 K54Y46-P48 HydrophobicContact CE2-CB 4.4Å; Y46-P48 WeakPolarHBondContact O-CD 3.38Å; P48-T52 WeakPolarHBondContact CD-O 3.49Å; P48-T52 HydrophobicContact CG-CG2 4.37Å; P48-K54 HydrophobicContact CG-CB 4.22Å
49D92.6Very high94.5Very high104 Ų10470.3 Ų70.356%0.55633%0.334SS*.EExtended strand (participates in β ladder)trans-132.5164.9176.4-56.3-58.8000110.4M47 R51 T52M47-D49 PolarHBondContact O-N 3.44Å; D49-R51 PolarHBondContact O-N 2.81Å; D49-T52 PolarHBondContact O-N 3.2Å
50K91Very high94.4Very high194 Ų19464.8 Ų64.884%0.84331%0.31SS*.THydrogen-bonded Turntrans-59-19.8175.2-66.4-176.9-179.4177.20114
51R93.2Very high94.3Very high143 Ų14360.6 Ų60.654%0.5429%0.294SS..THydrogen-bonded Turntrans-110.30.4-174-66.6-173.5-179.2160.75.2114.6I12 D49I12-R51 PolarHBondContact N-O 2.84Å; D49-R51 PolarHBondContact O-N 2.81Å
52T94.8Very high94.3Very high36 Ų3667.9 Ų67.922%0.22132%0.324CS..EExtended strand (participates in β ladder)trans-135.2121.3-175.7-51.30000109.3C9 M47 P48 D49C9-T52 HydrophobicContact CB-CG2 3.78Å; M47-T52 WeakPolarHBondContact CA-O 3.32Å; P48-T52 WeakPolarHBondContact CD-O 3.49Å; P48-T52 HydrophobicContact CG-CG2 4.37Å; D49-T52 PolarHBondContact O-N 3.2Å
53L95.7Very high94.3Very high0 Ų073.5 Ų73.50%034%0.337CS..EExtended strand (participates in β ladder)trans-102118.7169.8-172.7160.1000108.3C9 V10 I12 V20 V25 M45 M47 V55 I75C9-L53 CarbonylContact C-O 3.59Å; C9-L53 WeakPolarHBondContact CA-O 3.36Å; V10-L53 HydrophobicContact CB-CB 4.49Å; V10-L53 PolarHBondContact N-O 3.01Å; V10-L53 PolarHBondContact O-N 2.79Å; I12-L53 HydrophobicContact CD1-CB 4.08Å; V20-L53 HydrophobicContact CG2-CD1 3.42Å; V20-L53 VanDerWaalsContact CG2-CD1 3.42Å; V20-L53 HydrophobicContact CG2-CG 3.96Å; V25-L53 HydrophobicContact CG1-CD1 4.14Å; M45-L53 HydrophobicContact CE-CD2 4.27Å; M47-L53 HydrophobicContact CG-CB 4.33Å; M47-L53 HydrophobicContact CG-CG 4.32Å; L53-V55 HydrophobicContact CD2-CG2 3.56Å; L53-I75 HydrophobicContact CD1-CD1 3.94Å; L53-I75 HydrophobicContact CD1-CG2 4.23Å; L53-I75 HydrophobicContact CD2-CD1 3.6Å; L53-I75 HydrophobicContact CG-CD1 4.43Å
54K96.2Very high94.3Very high43 Ų4376.3 Ų76.319%0.18735%0.349CS..EExtended strand (participates in β ladder)trans-103129.2-178-167.2170.6178.9-143.10110N7 M45 Y46 P48 E56N7-K54 WeakPolarHBondContact ND2-CE 3.29Å; M45-K54 WeakPolarHBondContact CA-O 3.11Å; Y46-K54 HydrophobicContact CE2-CB 4.4Å; Y46-K54 HydrophobicContact CE2-CD 4.15Å; Y46-K54 PolarHBondContact N-O 3.01Å; Y46-K54 VanDerWaalsContact N-O 3.12Å; Y46-K54 PolarHBondContact O-N 3.18Å; Y46-K54 WeakPolarHBondContact OH-CD 3.45Å; Y46-K54 PolarHBondContact OH-NZ 2.82Å; P48-K54 HydrophobicContact CG-CB 4.22Å; K54-E56 HydrophobicContact CD-CG 4.26Å; K54-E56 WeakPolarHBondContact CE-OE1 3.4Å; K54-E56 HydrophobicContact CG-CG 3.86Å; K54-E56 IonicContact NZ-OE1 2.68Å; K54-E56 PolarHBondContact NZ-OE1 2.85Å; K54-E56 IonicContact NZ-OE2 3.22Å; K54-E56 PolarHBondContact NZ-OE2 3.39Å
55V96.5Very high94.2Very high0 Ų074.2 Ų74.20%034%0.338CS..EExtended strand (participates in β ladder)trans-114.9121.7174.7-175.20000107.6N7 Q8 L43 D44 M45 L53 V68 V71 I75N7-V55 CarbonylContact C-O 3.54Å; N7-V55 VanDerWaalsContact CA-O 3.26Å; N7-V55 WeakPolarHBondContact CA-O 3.34Å; Q8-V55 PolarHBondContact N-O 2.79Å; Q8-V55 PolarHBondContact O-N 2.85Å; L43-V55 HydrophobicContact CB-CG1 4.41Å; L43-V55 HydrophobicContact CD1-CG1 4.18Å; D44-V55 CarbonylContact O-C 3.6Å; D44-V55 WeakPolarHBondContact O-CA 3.07Å; M45-V55 HydrophobicContact CE-CG2 4.14Å; M45-V55 HydrophobicContact CG-CG1 4.26Å; M45-V55 HydrophobicContact CG-CG2 4.32Å; L53-V55 HydrophobicContact CD2-CG2 3.56Å; V55-V68 HydrophobicContact CB-CG1 4.29Å; V55-V68 HydrophobicContact CG1-CG1 4.08Å; V55-V71 HydrophobicContact CG1-CB 4.43Å; V55-V71 HydrophobicContact CG1-CG1 4.32Å; V55-V71 HydrophobicContact CG2-CG1 4.1Å; V55-I75 HydrophobicContact CG2-CD1 4.4Å
56E95.2Very high94.2Very high8 Ų876 Ų764%0.03736%0.356CS..EExtended strand (participates in β ladder)trans-127.2148.7-178.5-49.6-158.3106.400111.9N5 S6 N7 D44 Y46 K54N5-E56 PolarHBondContact ND2-OE1 3.42Å; S6-E56 CarbonylContact O-C 3.59Å; S6-E56 WeakPolarHBondContact O-CA 3.29Å; N7-E56 HydrophobicContact CB-CB 4.15Å; N7-E56 HydrophobicContact CB-CG 3.53Å; N7-E56 WeakPolarHBondContact CB-OE1 3.34Å; N7-E56 PolarHBondContact ND2-OE1 3.42Å; D44-E56 PolarHBondContact N-O 2.92Å; D44-E56 PolarHBondContact O-N 2.75Å; Y46-E56 HydrophobicContact CE1-CG 4.23Å; Y46-E56 WeakPolarHBondContact CE1-OE2 3.33Å; Y46-E56 PolarHBondContact OH-OE2 3.28Å; K54-E56 HydrophobicContact CD-CG 4.26Å; K54-E56 WeakPolarHBondContact CE-OE1 3.4Å; K54-E56 HydrophobicContact CG-CG 3.86Å; K54-E56 IonicContact NZ-OE1 2.68Å; K54-E56 PolarHBondContact NZ-OE1 2.85Å; K54-E56 IonicContact NZ-OE2 3.22Å; K54-E56 PolarHBondContact NZ-OE2 3.39Å
57K95.9Very high94.2Very high21 Ų2172.3 Ų72.39%0.09135%0.345CS..EExtended strand (participates in β ladder)trans-128.4118.5169.9-179.163.3-176.9-174.70109.5S6 A42 L43 E64 V68S6-K57 PolarHBondContact N-O 3.43Å; S6-K57 PolarHBondContact O-N 2.69Å; A42-K57 WeakPolarHBondContact O-CD 3.27Å; A42-K57 PolarHBondContact O-NZ 3.25Å; L43-K57 HydrophobicContact CD2-CB 3.68Å; L43-K57 HydrophobicContact CD2-CD 3.93Å; L43-K57 HydrophobicContact CD2-CG 4.19Å; K57-E64 HydrophobicContact CD-CB 4.42Å; K57-E64 VanDerWaalsContact CE-CD 3.48Å; K57-E64 WeakPolarHBondContact CE-OE1 3.45Å; K57-E64 HydrophobicContact CG-CB 4.33Å; K57-E64 IonicContact NZ-OE1 2.79Å; K57-E64 PolarHBondContact NZ-OE1 3.13Å; K57-V68 HydrophobicContact CB-CG2 3.73Å
58W95.9Very high94.3Very high119 Ų11969.9 Ų69.945%0.45133%0.333SS..EExtended strand (participates in β ladder)trans-84.5139.1168.6-65.195.4000111.2I4 N5 G60I4-W58 HydrophobicContact CG2-CE3 4.34Å; I4-W58 HydrophobicContact CG2-CZ3 4.17Å; I4-W58 WeakPolarHBondContact O-CA 3.46Å; I4-W58 VanDerWaalsContact O-CE3 3.29Å; N5-W58 HydrophobicContact CB-CD2 4.37Å; N5-W58 HydrophobicContact CB-CE3 3.88Å; N5-W58 HydrophobicContact CB-CH2 4.1Å; N5-W58 HydrophobicContact CB-CZ3 3.74Å; W58-G60 PolarHBondContact O-N 2.79Å
59F94.8Very high94.4Very high121 Ų12175.2 Ų75.253%0.53135%0.345SS..EExtended strand (participates in β ladder)trans5237.5176.1-57-73000114.4T3 I4T3-F59 CarbonylContact O-C 3.51Å; T3-F59 WeakPolarHBondContact O-CA 3.43Å; T3-F59 PolarHBondContact O-N 3.45Å; I4-F59 HydrophobicContact CG2-CE1 4.41Å; I4-F59 PolarHBondContact O-N 2.77Å
60G92.6Very high94.6Very high0 Ų073.6 Ų73.60%034%0.339CS..EExtended strand (participates in β ladder)trans-71.2136.8-174.800000113.9T3 W58T3-G60 PolarHBondContact N-O 2.81Å; T3-G60 PolarHBondContact O-N 2.92Å; W58-G60 PolarHBondContact O-N 2.79Å
61T94.2Very high94.9Very high57 Ų5764.4 Ų64.435%0.3530%0.299SS..  trans-76.3162.7162.261.70000110.9K63 E64 L65T61-K63 PolarHBondContact O-N 3.41Å; T61-E64 PolarHBondContact N-OE2 2.69Å; T61-E64 PolarHBondContact O-N 3.36Å; T61-E64 WeakPolarHBondContact OG1-CG 3.37Å; T61-E64 PolarHBondContact OG1-OE2 3.15Å; T61-L65 WeakPolarHBondContact O-CG 3.35Å; T61-L65 PolarHBondContact O-N 2.97Å
62K93.4Very high95Very high192 Ų19257.6 Ų57.684%0.83527%0.273SS*.Hα-helixtrans-49.1-39.8-177-170.5177.2-179.1178.80114.2A66K62-A66 PolarHBondContact O-N 3.5Å
63K93.1Very high95.2Very high182 Ų18257.9 Ų57.979%0.79128%0.277SS*.Hα-helixtrans-70.7-38.5178-69.9-174.3178.3-178.80112.7T61 A66 A67T61-K63 PolarHBondContact O-N 3.41Å; K63-A66 PolarHBondContact O-N 3.23Å; K63-A67 PolarHBondContact O-N 3.05Å
64E93.1Very high95.3Very high66 Ų6659.8 Ų59.831%0.30829%0.286SS..Hα-helixtrans-71.3-34.9178.5-64.6171.6113.700112K57 T61 A66 A67K57-E64 HydrophobicContact CD-CB 4.42Å; K57-E64 VanDerWaalsContact CE-CD 3.48Å; K57-E64 WeakPolarHBondContact CE-OE1 3.45Å; K57-E64 HydrophobicContact CG-CB 4.33Å; K57-E64 IonicContact NZ-OE1 2.79Å; K57-E64 PolarHBondContact NZ-OE1 3.13Å; T61-E64 PolarHBondContact N-OE2 2.69Å; T61-E64 PolarHBondContact O-N 3.36Å; T61-E64 WeakPolarHBondContact OG1-CG 3.37Å; T61-E64 PolarHBondContact OG1-OE2 3.15Å; E64-A66 VanDerWaalsContact C-N 3.29Å; E64-A66 PolarHBondContact O-N 3.31Å; E64-A67 WeakPolarHBondContact O-CB 3.49Å; E64-A67 PolarHBondContact O-N 3.32Å; E64-A67 VanDerWaalsContact O-N 3.14Å
65L93.3Very high95.3Very high42 Ų4257.8 Ų57.822%0.2228%0.277CS..Hα-helixtrans-62-38.6174-62174.7000111.4T3 T61 A67 V68T3-L65 WeakPolarHBondContact OG1-CD1 3.5Å; T61-L65 WeakPolarHBondContact O-CG 3.35Å; T61-L65 PolarHBondContact O-N 2.97Å; L65-A67 VanDerWaalsContact C-N 3.27Å; L65-A67 PolarHBondContact O-N 3.07Å; L65-V68 WeakPolarHBondContact O-CB 3.29Å; L65-V68 PolarHBondContact O-N 3.21Å
66A94.7Very high95.3Very high58 Ų5862 Ų6248%0.47930%0.297SS..Hα-helixtrans-63.5-34.1174.900000112.4K62 K63 E64 V68 R69 T70K62-A66 PolarHBondContact O-N 3.5Å; K63-A66 PolarHBondContact O-N 3.23Å; E64-A66 VanDerWaalsContact C-N 3.29Å; E64-A66 PolarHBondContact O-N 3.31Å; A66-V68 VanDerWaalsContact C-N 3.27Å; A66-V68 PolarHBondContact O-N 2.72Å; A66-R69 PolarHBondContact O-N 2.65Å; A66-T70 PolarHBondContact O-N 3.37Å; A66-T70 PolarHBondContact O-OG1 2.83Å
67A95Very high95.4Very high15 Ų1564 Ų6412%0.12431%0.308CS..Hα-helixtrans-64.2-29.7179.100000112.9L41 L43 K63 E64 L65 R69 T70 V71L41-A67 HydrophobicContact CD1-CB 4.23Å; L41-A67 HydrophobicContact CD2-CB 4.08Å; L43-A67 HydrophobicContact CD1-CB 4.48Å; K63-A67 PolarHBondContact O-N 3.05Å; E64-A67 WeakPolarHBondContact O-CB 3.49Å; E64-A67 PolarHBondContact O-N 3.32Å; E64-A67 VanDerWaalsContact O-N 3.14Å; L65-A67 VanDerWaalsContact C-N 3.27Å; L65-A67 PolarHBondContact O-N 3.07Å; A67-R69 VanDerWaalsContact C-N 3.35Å; A67-R69 PolarHBondContact O-N 3.32Å; A67-T70 PolarHBondContact O-N 2.66Å; A67-V71 WeakPolarHBondContact O-CG2 3.37Å; A67-V71 PolarHBondContact O-N 2.86Å
68V95.6Very high95.5Very high3 Ų363.3 Ų63.32%0.01831%0.305CS..Hα-helixtrans-55.8-51.4174.3177.60000110.1Q8 L43 V55 K57 L65 A66 T70 V71 C72Q8-V68 HydrophobicContact CB-CG1 3.9Å; L43-V68 HydrophobicContact CD2-CG2 3.7Å; V55-V68 HydrophobicContact CB-CG1 4.29Å; V55-V68 HydrophobicContact CG1-CG1 4.08Å; K57-V68 HydrophobicContact CB-CG2 3.73Å; L65-V68 WeakPolarHBondContact O-CB 3.29Å; L65-V68 PolarHBondContact O-N 3.21Å; A66-V68 VanDerWaalsContact C-N 3.27Å; A66-V68 PolarHBondContact O-N 2.72Å; V68-T70 PolarHBondContact O-N 2.91Å; V68-V71 PolarHBondContact O-N 2.97Å; V68-C72 PolarHBondContact O-N 2.84Å; V68-C72 VanDerWaalsContact O-N 3.1Å; V68-C72 PolarHBondContact O-SG 2.89Å; V68-C72 VanDerWaalsContact O-SG 3.39Å
69R95.8Very high95.5Very high175 Ų17558.4 Ų58.466%0.6629%0.288SS*.Hα-helixtrans-64-41.5179.1-174.6176178.3177.90.5111.9A66 A67 V71 C72 S73A66-R69 PolarHBondContact O-N 2.65Å; A67-R69 VanDerWaalsContact C-N 3.35Å; A67-R69 PolarHBondContact O-N 3.32Å; R69-V71 PolarHBondContact O-N 3.28Å; R69-C72 PolarHBondContact O-N 3.04Å; R69-S73 PolarHBondContact O-N 2.87Å; R69-S73 PolarHBondContact O-OG 3.15Å
70T97Very high95.5Very high70 Ų7056.5 Ų56.543%0.42928%0.279SS..Hα-helixtrans-58.5-46.2177.4-56.80000111.6A66 A67 V68 S73 H74A66-T70 PolarHBondContact O-N 3.37Å; A66-T70 PolarHBondContact O-OG1 2.83Å; A67-T70 PolarHBondContact O-N 2.66Å; V68-T70 PolarHBondContact O-N 2.91Å; T70-S73 PolarHBondContact O-N 2.82Å; T70-H74 PolarHBondContact O-CD2 3.34Å; T70-H74 PolarHBondContact O-N 2.81Å
71V96.6Very high95.7Very high1 Ų156.5 Ų56.51%0.00628%0.279CS..Hα-helixtrans-62.1-44.8176.9174.30000111.1F38 L41 L43 M45 V55 A67 V68 R69 S73 H74 I75F38-V71 HydrophobicContact CD1-CB 4.48Å; F38-V71 HydrophobicContact CD1-CG1 4.24Å; F38-V71 HydrophobicContact CD1-CG2 3.71Å; F38-V71 HydrophobicContact CD2-CG1 4.14Å; F38-V71 HydrophobicContact CE1-CB 4.44Å; F38-V71 HydrophobicContact CE1-CG1 4.24Å; F38-V71 HydrophobicContact CE1-CG2 4.03Å; F38-V71 HydrophobicContact CE2-CG1 4.15Å; F38-V71 HydrophobicContact CG-CG1 4.17Å; F38-V71 HydrophobicContact CG-CG2 4.19Å; F38-V71 HydrophobicContact CZ-CG1 4.17Å; L41-V71 HydrophobicContact CD1-CG2 3.39Å; L43-V71 HydrophobicContact CD1-CB 4.41Å; L43-V71 HydrophobicContact CD1-CG2 3.63Å; M45-V71 HydrophobicContact CE-CG1 3.51Å; M45-V71 HydrophobicContact SD-CG1 4.11Å; V55-V71 HydrophobicContact CG1-CB 4.43Å; V55-V71 HydrophobicContact CG1-CG1 4.32Å; V55-V71 HydrophobicContact CG2-CG1 4.1Å; A67-V71 WeakPolarHBondContact O-CG2 3.37Å; A67-V71 PolarHBondContact O-N 2.86Å; V68-V71 PolarHBondContact O-N 2.97Å; R69-V71 PolarHBondContact O-N 3.28Å; V71-S73 PolarHBondContact O-N 2.94Å; V71-H74 PolarHBondContact O-N 3.33Å; V71-I75 HydrophobicContact CG1-CD1 3.84Å; V71-I75 HydrophobicContact CG1-CG1 4.47Å; V71-I75 VanDerWaalsContact O-CG1 3.3Å; V71-I75 WeakPolarHBondContact O-CG1 3.44Å; V71-I75 PolarHBondContact O-N 2.83Å
72C96.5Very high95.8Very high0 Ų053.8 Ų53.80%026%0.262CS..Hα-helixtrans-57.5-46.5176.3-69.20000112Q8 V10 V68 R69 H74 I75 E76Q8-C72 HydrophobicContact CG-CB 4.36Å; V10-C72 HydrophobicContact CG2-CB 3.67Å; V68-C72 PolarHBondContact O-N 2.84Å; V68-C72 VanDerWaalsContact O-N 3.1Å; V68-C72 PolarHBondContact O-SG 2.89Å; V68-C72 VanDerWaalsContact O-SG 3.39Å; R69-C72 PolarHBondContact O-N 3.04Å; C72-H74 PolarHBondContact O-N 3.42Å; C72-I75 PolarHBondContact O-N 3.08Å; C72-I75 VanDerWaalsContact O-N 3.16Å; C72-E76 WeakPolarHBondContact O-CG 3.32Å; C72-E76 PolarHBondContact O-N 2.99Å
73S97.6Very high95.9Very high43 Ų4346.4 Ų46.430%0.30123%0.233SC..Hα-helixtrans-64.4-37178-62.60000113.2R69 T70 V71 I75 E76 N77R69-S73 PolarHBondContact O-N 2.87Å; R69-S73 PolarHBondContact O-OG 3.15Å; T70-S73 PolarHBondContact O-N 2.82Å; V71-S73 PolarHBondContact O-N 2.94Å; S73-I75 VanDerWaalsContact C-N 3.33Å; S73-I75 PolarHBondContact O-N 2.83Å; S73-E76 PolarHBondContact O-N 3.19Å; S73-N77 WeakPolarHBondContact O-CB 3.22Å; S73-N77 VanDerWaalsContact O-CG 3.31Å; S73-N77 PolarHBondContact O-N 2.91Å; S73-N77 PolarHBondContact O-ND2 2.92Å
74H97.6Very high96Very high40 Ų4040.5 Ų40.519%0.18521%0.208CC..Hα-helixtrans-63.6-39.5173-74.2-62.9000112R36 F38 T70 V71 C72 N77 M78 E150R36-H74 PolarHBondContact NH1-ND1 3.26Å; R36-H74 PolarHBondContact NH2-CE1 3.49Å; R36-H74 VanDerWaalsContact NH2-CE1 3.26Å; R36-H74 PolarHBondContact NH2-ND1 3.26Å; F38-H74 HydrophobicContact CE1-CB 4.06Å; F38-H74 HydrophobicContact CZ-CB 3.71Å; T70-H74 PolarHBondContact O-CD2 3.34Å; T70-H74 PolarHBondContact O-N 2.81Å; V71-H74 PolarHBondContact O-N 3.33Å; C72-H74 PolarHBondContact O-N 3.42Å; H74-N77 PolarHBondContact O-N 3.42Å; H74-M78 VanDerWaalsContact O-CG 3.29Å; H74-M78 WeakPolarHBondContact O-CG 3.21Å; H74-M78 PolarHBondContact O-N 3.12Å; H74-E150 IonicContact CE1-OE1 3.62Å; H74-E150 PolarHBondContact CE1-OE1 3.47Å; H74-E150 IonicContact ND1-OE1 2.69Å; H74-E150 PolarHBondContact ND1-OE1 3.26Å
75I96.5Very high96.1Very high1 Ų137.3 Ų37.31%0.00519%0.193CC..Hα-helixtrans-67.1-43.7177.2-64.8168.6000110.5V10 V25 I27 F38 M45 L53 V55 V71 C72 S73 N77 M78 I79V10-I75 HydrophobicContact CB-CG2 4.37Å; V10-I75 HydrophobicContact CG1-CG2 3.96Å; V10-I75 HydrophobicContact CG2-CB 4.48Å; V10-I75 HydrophobicContact CG2-CG2 4.41Å; V25-I75 HydrophobicContact CG1-CG1 4.35Å; V25-I75 HydrophobicContact CG2-CD1 4.14Å; V25-I75 HydrophobicContact CG2-CG1 4.39Å; I27-I75 HydrophobicContact CD1-CG2 3.79Å; F38-I75 HydrophobicContact CE2-CG1 4.33Å; M45-I75 HydrophobicContact CE-CD1 3.67Å; L53-I75 HydrophobicContact CD1-CD1 3.94Å; L53-I75 HydrophobicContact CD1-CG2 4.23Å; L53-I75 HydrophobicContact CD2-CD1 3.6Å; L53-I75 HydrophobicContact CG-CD1 4.43Å; V55-I75 HydrophobicContact CG2-CD1 4.4Å; V71-I75 HydrophobicContact CG1-CD1 3.84Å; V71-I75 HydrophobicContact CG1-CG1 4.47Å; V71-I75 VanDerWaalsContact O-CG1 3.3Å; V71-I75 WeakPolarHBondContact O-CG1 3.44Å; V71-I75 PolarHBondContact O-N 2.83Å; C72-I75 PolarHBondContact O-N 3.08Å; C72-I75 VanDerWaalsContact O-N 3.16Å; S73-I75 VanDerWaalsContact C-N 3.33Å; S73-I75 PolarHBondContact O-N 2.83Å; I75-N77 VanDerWaalsContact C-N 3.3Å; I75-N77 PolarHBondContact O-N 3.48Å; I75-M78 WeakPolarHBondContact O-CB 3.24Å; I75-M78 PolarHBondContact O-N 3.48Å; I75-M78 VanDerWaalsContact O-N 3.16Å; I75-I79 HydrophobicContact CG2-CD1 4.2Å; I75-I79 WeakPolarHBondContact O-CG1 3.39Å; I75-I79 PolarHBondContact O-N 2.87Å
76E96.8Very high96.3Very high87 Ų8735.8 Ų35.841%0.40718%0.184SC..Hα-helixtrans-59.4-40.8174.6-72.7171.2175.100111.9V10 C72 S73 I79 K80V10-E76 HydrophobicContact CG1-CG 3.77Å; V10-E76 HydrophobicContact CG2-CG 4.49Å; C72-E76 WeakPolarHBondContact O-CG 3.32Å; C72-E76 PolarHBondContact O-N 2.99Å; S73-E76 PolarHBondContact O-N 3.19Å; E76-I79 WeakPolarHBondContact O-CB 3.49Å; E76-I79 PolarHBondContact O-N 2.7Å; E76-K80 WeakPolarHBondContact O-CB 3.46Å; E76-K80 PolarHBondContact O-N 3.23Å
77N97.4Very high96.4Very high52 Ų5234.3 Ų34.328%0.27817%0.168SC..Hα-helixtrans-65.4-40.9174-75.4-26000112.3S73 H74 I75 I79 K80 G81 F86 I149S73-N77 WeakPolarHBondContact O-CB 3.22Å; S73-N77 VanDerWaalsContact O-CG 3.31Å; S73-N77 PolarHBondContact O-N 2.91Å; S73-N77 PolarHBondContact O-ND2 2.92Å; H74-N77 PolarHBondContact O-N 3.42Å; I75-N77 VanDerWaalsContact C-N 3.3Å; I75-N77 PolarHBondContact O-N 3.48Å; N77-I79 VanDerWaalsContact C-N 3.33Å; N77-I79 PolarHBondContact O-N 3.25Å; N77-K80 PolarHBondContact O-N 3.03Å; N77-G81 PolarHBondContact O-N 2.99Å; N77-F86 HydrophobicContact CB-CZ 4.41Å; N77-F86 WeakPolarHBondContact O-CE2 3.28Å; N77-F86 WeakPolarHBondContact O-CZ 3.45Å; N77-I149 HydrophobicContact CB-CG2 3.97Å
78M97.2Very high96.6Very high5 Ų534.3 Ų34.33%0.02516%0.164CC..Hα-helixtrans-62.2-41.5174.4-72.2172.974.300111.3I27 L34 R36 H74 I75 G81 V82I27-M78 HydrophobicContact CB-CE 4.43Å; I27-M78 HydrophobicContact CD1-CB 3.47Å; I27-M78 VanDerWaalsContact CD1-CB 3.47Å; I27-M78 HydrophobicContact CD1-CE 4.27Å; I27-M78 HydrophobicContact CD1-CG 4.5Å; I27-M78 HydrophobicContact CD1-SD 4.31Å; I27-M78 HydrophobicContact CG1-CB 4.23Å; I27-M78 HydrophobicContact CG1-CE 3.96Å; L34-M78 HydrophobicContact CB-CE 3.64Å; L34-M78 HydrophobicContact CB-CG 4.42Å; L34-M78 HydrophobicContact CD1-CB 4.18Å; L34-M78 HydrophobicContact CD1-CG 4.26Å; L34-M78 WeakPolarHBondContact O-CE 3.43Å; R36-M78 HydrophobicContact CB-CE 3.92Å; R36-M78 HydrophobicContact CB-SD 3.68Å; H74-M78 VanDerWaalsContact O-CG 3.29Å; H74-M78 WeakPolarHBondContact O-CG 3.21Å; H74-M78 PolarHBondContact O-N 3.12Å; I75-M78 WeakPolarHBondContact O-CB 3.24Å; I75-M78 PolarHBondContact O-N 3.48Å; I75-M78 VanDerWaalsContact O-N 3.16Å; M78-G81 PolarHBondContact O-N 2.81Å; M78-V82 WeakPolarHBondContact O-CG2 3.25Å; M78-V82 PolarHBondContact O-N 3.09Å
79I96.4Very high96.6Very high17 Ų1736.5 Ų36.59%0.08717%0.174CC..Hα-helixtrans-58.1-54.4173.7-72173.1000109.7V10 I12 P13 I16 I27 I75 E76 N77 G81 V82 T83V10-I79 HydrophobicContact CG1-CD1 3.84Å; I12-I79 HydrophobicContact CG1-CD1 4.46Å; P13-I79 HydrophobicContact CG-CG2 4.02Å; I16-I79 HydrophobicContact CD1-CB 4.49Å; I16-I79 HydrophobicContact CD1-CG2 3.57Å; I27-I79 HydrophobicContact CD1-CG1 3.72Å; I27-I79 HydrophobicContact CG2-CG1 4.14Å; I75-I79 HydrophobicContact CG2-CD1 4.2Å; I75-I79 WeakPolarHBondContact O-CG1 3.39Å; I75-I79 PolarHBondContact O-N 2.87Å; E76-I79 WeakPolarHBondContact O-CB 3.49Å; E76-I79 PolarHBondContact O-N 2.7Å; N77-I79 VanDerWaalsContact C-N 3.33Å; N77-I79 PolarHBondContact O-N 3.25Å; I79-G81 VanDerWaalsContact C-N 3.25Å; I79-G81 PolarHBondContact O-N 3.28Å; I79-V82 VanDerWaalsContact O-CG2 3.29Å; I79-V82 WeakPolarHBondContact O-CG2 3.24Å; I79-V82 PolarHBondContact O-N 2.9Å; I79-T83 PolarHBondContact O-N 2.99Å; I79-T83 VanDerWaalsContact O-N 3.15Å; I79-T83 PolarHBondContact O-OG1 3.02Å
80K95.7Very high96.7Very high81 Ų8128.2 Ų28.235%0.35214%0.142SC..Hα-helixtrans-57.5-40178.5-174.6174.8178.7176.20112E76 N77 T83 F84 G85 F86E76-K80 WeakPolarHBondContact O-CB 3.46Å; E76-K80 PolarHBondContact O-N 3.23Å; N77-K80 PolarHBondContact O-N 3.03Å; K80-T83 PolarHBondContact O-N 3.01Å; K80-F84 HydrophobicContact CG-CD2 4.1Å; K80-F84 PolarHBondContact O-N 3.47Å; K80-G85 PolarHBondContact O-N 3.4Å; K80-F86 HydrophobicContact CB-CZ 4.04Å; K80-F86 HydrophobicContact CD-CE1 3.89Å; K80-F86 HydrophobicContact CD-CZ 4.13Å; K80-F86 HydrophobicContact CG-CE1 4.18Å; K80-F86 HydrophobicContact CG-CZ 4.05Å
81G96.5Very high96.7Very high0 Ų030 Ų300%014%0.141CC..Hα-helixtrans-63.3-45179.100000114.2N77 M78 I79 T83 G85 N147N77-G81 PolarHBondContact O-N 2.99Å; M78-G81 PolarHBondContact O-N 2.81Å; I79-G81 VanDerWaalsContact C-N 3.25Å; I79-G81 PolarHBondContact O-N 3.28Å; G81-T83 VanDerWaalsContact C-N 3.32Å; G81-G85 VanDerWaalsContact O-CA 3.25Å; G81-G85 WeakPolarHBondContact O-CA 3.48Å; G81-G85 PolarHBondContact O-N 2.85Å; G81-N147 WeakPolarHBondContact CA-O 3.34Å
82V96.2Very high96.6Very high0 Ų030.5 Ų30.50%015%0.146CC..Hα-helixtrans-76.4-19.1178.1-610000113.7I16 I27 T30 R31 L34 M78 I79I16-V82 HydrophobicContact CD1-CG2 4.46Å; I16-V82 HydrophobicContact CG2-CG2 4.41Å; I27-V82 HydrophobicContact CG2-CG2 3.77Å; T30-V82 PolarHBondContact N-O 3.35Å; R31-V82 VanDerWaalsContact CB-O 3.3Å; R31-V82 WeakPolarHBondContact CB-O 3.44Å; R31-V82 WeakPolarHBondContact CG-O 3.3Å; R31-V82 PolarHBondContact N-O 2.84Å; L34-V82 HydrophobicContact CB-CG1 4.21Å; L34-V82 HydrophobicContact CD1-CG1 3.92Å; L34-V82 HydrophobicContact CG-CG1 3.75Å; M78-V82 WeakPolarHBondContact O-CG2 3.25Å; M78-V82 PolarHBondContact O-N 3.09Å; I79-V82 VanDerWaalsContact O-CG2 3.29Å; I79-V82 WeakPolarHBondContact O-CG2 3.24Å; I79-V82 PolarHBondContact O-N 2.9Å
83T94.8Very high96.6Very high36 Ų3633.6 Ų33.622%0.22117%0.165CC..Hα-helixtrans-89.1-55.1177.8-53.30000111.9I16 I79 K80 G81I16-T83 WeakPolarHBondContact CD1-OG1 3.37Å; I79-T83 PolarHBondContact O-N 2.99Å; I79-T83 VanDerWaalsContact O-N 3.15Å; I79-T83 PolarHBondContact O-OG1 3.02Å; K80-T83 PolarHBondContact O-N 3.01Å; G81-T83 VanDerWaalsContact C-N 3.32Å
84F95.5Very high96.4Very high58 Ų5834.6 Ų34.625%0.25416%0.162SC..THydrogen-bonded Turntrans-110.1-22.4-170.5-54.1-75.7000113.2R31 K80 T184 V185 V186 L188R31-F84 VanDerWaalsContact CD-C 3.46Å; K80-F84 HydrophobicContact CG-CD2 4.1Å; K80-F84 PolarHBondContact O-N 3.47Å; F84-T184 HydrophobicContact CB-CG2 3.9Å; F84-V185 WeakPolarHBondContact O-CB 3.16Å; F84-V185 PolarHBondContact O-N 2.89Å; F84-V186 HydrophobicContact CB-CB 4.36Å; F84-V186 HydrophobicContact CD1-CB 4.12Å; F84-V186 HydrophobicContact CD1-CG1 4.22Å; F84-V186 PolarHBondContact O-N 3.21Å; F84-L188 HydrophobicContact CD1-CD2 3.98Å; F84-L188 HydrophobicContact CD1-CG 4.38Å; F84-L188 HydrophobicContact CD2-CD2 4.1Å; F84-L188 HydrophobicContact CE1-CD2 3.52Å; F84-L188 HydrophobicContact CE1-CG 4.35Å; F84-L188 HydrophobicContact CE2-CD2 3.64Å; F84-L188 HydrophobicContact CG-CD2 4.25Å; F84-L188 HydrophobicContact CZ-CD2 3.33Å
85G96.2Very high96.2Very high0 Ų037 Ų370%019%0.189CC..  trans70.8161.4-169.200000111.8R31 K80 G81 T184 V185R31-G85 VanDerWaalsContact CD-N 3.32Å; K80-G85 PolarHBondContact O-N 3.4Å; G81-G85 VanDerWaalsContact O-CA 3.25Å; G81-G85 WeakPolarHBondContact O-CA 3.48Å; G81-G85 PolarHBondContact O-N 2.85Å; G85-T184 VanDerWaalsContact O-CA 3.24Å; G85-T184 WeakPolarHBondContact O-CA 3.3Å; G85-T184 VanDerWaalsContact O-CB 3.22Å; G85-T184 WeakPolarHBondContact O-CB 3.48Å; G85-T184 VanDerWaalsContact O-CG2 3.32Å; G85-T184 WeakPolarHBondContact O-CG2 3.35Å; G85-V185 PolarHBondContact O-N 3.17Å
86F97.4Very high96.1Very high9 Ų943.8 Ų43.84%0.03922%0.22CC..EExtended strand (participates in β ladder)trans-107136.4174.4-65.8-80.9000109.8N77 K80 E145 G146 N147 I149 V152N77-F86 HydrophobicContact CB-CZ 4.41Å; N77-F86 WeakPolarHBondContact O-CE2 3.28Å; N77-F86 WeakPolarHBondContact O-CZ 3.45Å; K80-F86 HydrophobicContact CB-CZ 4.04Å; K80-F86 HydrophobicContact CD-CE1 3.89Å; K80-F86 HydrophobicContact CD-CZ 4.13Å; K80-F86 HydrophobicContact CG-CE1 4.18Å; K80-F86 HydrophobicContact CG-CZ 4.05Å; F86-E145 WeakPolarHBondContact O-CA 3.49Å; F86-G146 PolarHBondContact N-O 3.36Å; F86-G146 PolarHBondContact O-N 3.05Å; F86-G146 VanDerWaalsContact O-N 3.08Å; F86-N147 WeakPolarHBondContact CD2-O 3.33Å; F86-I149 HydrophobicContact CD1-CB 4.35Å; F86-I149 HydrophobicContact CD1-CD1 4.24Å; F86-I149 HydrophobicContact CD1-CG1 4.18Å; F86-I149 HydrophobicContact CD2-CB 3.86Å; F86-I149 HydrophobicContact CE1-CB 4.18Å; F86-I149 HydrophobicContact CE1-CD1 3.82Å; F86-I149 HydrophobicContact CE1-CG1 4.14Å; F86-I149 HydrophobicContact CE2-CB 3.68Å; F86-I149 HydrophobicContact CE2-CG1 4.49Å; F86-I149 HydrophobicContact CG-CB 4.19Å; F86-I149 HydrophobicContact CG-CG1 4.37Å; F86-I149 HydrophobicContact CZ-CB 3.85Å; F86-I149 HydrophobicContact CZ-CD1 4.12Å; F86-I149 HydrophobicContact CZ-CG1 4.31Å; F86-V152 HydrophobicContact CB-CG2 4.39Å
87Q96.9Very high96Very high27 Ų2743.8 Ų43.813%0.12622%0.219CC..EExtended strand (participates in β ladder)trans-128.3118.7176.6-176.9-178.48.200108.8I143 V144 E145 T183 V185Q87-I143 HydrophobicContact CG-CG2 3.78Å; Q87-I143 VanDerWaalsContact NE2-CG2 3.27Å; Q87-V144 CarbonylContact C-O 3.57Å; Q87-V144 WeakPolarHBondContact CA-O 3.33Å; Q87-E145 HydrophobicContact CB-CG 4.07Å; Q87-E145 HydrophobicContact CG-CG 3.79Å; Q87-E145 PolarHBondContact NE2-OE1 3.47Å; Q87-T183 HydrophobicContact CB-CG2 3.89Å; Q87-T183 HydrophobicContact CG-CG2 4.17Å; Q87-T183 PolarHBondContact N-O 3.32Å; Q87-T183 CarbonylContact O-C 3.6Å; Q87-T183 PolarHBondContact O-N 2.94Å; Q87-T183 VanDerWaalsContact O-O 3.11Å; Q87-V185 HydrophobicContact CB-CG2 4.01Å
88Y97.5Very high95.9Very high15 Ų1544.1 Ų44.16%0.05922%0.224CC..EExtended strand (participates in β ladder)trans-107.6123.3175.1-79.728.5000107.8V144 V152 A156 V179 E181 K182Y88-V144 PolarHBondContact N-O 3.15Å; Y88-V144 PolarHBondContact O-N 3.31Å; Y88-V152 HydrophobicContact CD1-CG1 3.75Å; Y88-V152 HydrophobicContact CD2-CG1 4.17Å; Y88-V152 HydrophobicContact CE1-CG1 4.17Å; Y88-V152 HydrophobicContact CG-CG1 3.76Å; Y88-A156 HydrophobicContact CD2-CB 4.03Å; Y88-V179 HydrophobicContact CD2-CG1 4.14Å; Y88-V179 HydrophobicContact CD2-CG2 4.45Å; Y88-E181 WeakPolarHBondContact CA-O 3.41Å; Y88-K182 HydrophobicContact CD1-CB 4.17Å; Y88-K182 HydrophobicContact CD1-CG 4.03Å; Y88-K182 HydrophobicContact CD2-CG 4.2Å; Y88-K182 HydrophobicContact CE1-CB 3.93Å; Y88-K182 HydrophobicContact CE1-CD 4.17Å; Y88-K182 HydrophobicContact CE1-CG 3.83Å; Y88-K182 HydrophobicContact CE2-CD 3.99Å; Y88-K182 HydrophobicContact CE2-CG 4.02Å; Y88-K182 HydrophobicContact CG-CG 4.22Å
89K97.2Very high95.8Very high50 Ų5044.1 Ų44.122%0.21722%0.224CC..EExtended strand (participates in β ladder)trans-91.3132.5171.6-61.2-177.4-171.5163.20108.4E141 L142 V179 S180 E181K89-E141 HydrophobicContact CB-CG 4.36Å; K89-L142 CarbonylContact C-O 3.5Å; K89-L142 WeakPolarHBondContact CA-O 3.48Å; K89-V179 CarbonylContact O-C 3.52Å; K89-V179 WeakPolarHBondContact O-CA 3.32Å; K89-S180 WeakPolarHBondContact CB-OG 3.08Å; K89-S180 PolarHBondContact O-N 2.57Å; K89-S180 PolarHBondContact O-OG 2.99Å; K89-E181 HydrophobicContact CB-CB 4.18Å; K89-E181 HydrophobicContact CD-CB 4.21Å; K89-E181 WeakPolarHBondContact CD-OE2 3.42Å; K89-E181 WeakPolarHBondContact CE-OE2 3.28Å; K89-E181 HydrophobicContact CG-CB 4.43Å; K89-E181 PolarHBondContact N-O 3.07Å; K89-E181 IonicContact NZ-OE2 3.15Å; K89-E181 PolarHBondContact NZ-OE2 3.19Å; K89-E181 PolarHBondContact O-N 2.85Å
90M97.4Very high95.7Very high0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-121.6137.8174.4-55.1-174.969.400109.8E141 L142 V144 A156 I159 Q160 L177 Y178 V179M90-E141 CarbonylContact O-C 3.58Å; M90-E141 VanDerWaalsContact O-CA 3.25Å; M90-E141 WeakPolarHBondContact O-CA 3.41Å; M90-L142 HydrophobicContact CB-CB 4.26Å; M90-L142 PolarHBondContact N-O 3.25Å; M90-L142 PolarHBondContact O-N 3.39Å; M90-V144 HydrophobicContact CG-CG2 4.49Å; M90-V144 HydrophobicContact SD-CG2 4.08Å; M90-A156 HydrophobicContact CE-CB 4.42Å; M90-A156 VanDerWaalsContact CE-O 3.29Å; M90-A156 WeakPolarHBondContact CE-O 3.43Å; M90-A156 HydrophobicContact SD-CB 3.73Å; M90-I159 HydrophobicContact CE-CB 3.97Å; M90-I159 HydrophobicContact CE-CG2 3.74Å; M90-I159 HydrophobicContact SD-CB 4.13Å; M90-I159 HydrophobicContact SD-CD1 4.06Å; M90-I159 HydrophobicContact SD-CG2 4.04Å; M90-Q160 HydrophobicContact CE-CB 4.21Å; M90-L177 HydrophobicContact CE-CB 4.26Å; M90-Y178 CarbonylContact C-O 3.47Å; M90-Y178 WeakPolarHBondContact CA-O 3.42Å; M90-V179 HydrophobicContact CE-CG2 4.12Å; M90-V179 HydrophobicContact CG-CG2 4.02Å; M90-V179 HydrophobicContact SD-CG2 4.41Å
91R96.2Very high95.6Very high107 Ų10744.5 Ų44.540%0.40423%0.231SC..EExtended strand (participates in β ladder)trans-111.2135.3176.9-65-166.672.4-173.90.9111.2D140 E141 L177 Y178R91-D140 WeakPolarHBondContact CA-O 3.3Å; R91-E141 HydrophobicContact CG-CB 4.42Å; R91-E141 HydrophobicContact CG-CG 4.39Å; R91-L177 WeakPolarHBondContact O-CA 3.44Å; R91-Y178 PolarHBondContact N-O 3.42Å; R91-Y178 PolarHBondContact O-N 2.99Å
92A96.1Very high95.5Very high12 Ų1247.4 Ų47.410%0.09925%0.249CC..EExtended strand (participates in β ladder)trans-78.8122.1168.300000108.9I99 D140 L177A92-I99 HydrophobicContact CB-CB 4.25Å; A92-I99 HydrophobicContact CB-CD1 4.4Å; A92-D140 HydrophobicContact CB-CB 4.13Å; A92-D140 PolarHBondContact N-O 3.23Å; A92-L177 HydrophobicContact CB-CD2 3.6Å; A92-L177 HydrophobicContact CB-CG 4.41Å
93V95.7Very high95.4Very high66 Ų6649.3 Ų49.340%0.426%0.261SS..EExtended strand (participates in β ladder)trans-112.3129.7175-178.80000107.2I99 D175 G176 Y178V93-I99 WeakPolarHBondContact O-CD1 3.36Å; V93-D175 CarbonylContact O-C 3.52Å; V93-D175 WeakPolarHBondContact O-CA 3.49Å; V93-G176 PolarHBondContact N-O 3Å; V93-G176 PolarHBondContact O-N 2.79Å; V93-Y178 HydrophobicContact CB-CD2 4.37Å; V93-Y178 HydrophobicContact CB-CE2 4.34Å; V93-Y178 HydrophobicContact CG2-CD2 4.02Å; V93-Y178 HydrophobicContact CG2-CE2 4.44Å
94Y94.2Very high95.3Very high64 Ų6449.3 Ų49.325%0.25126%0.262SS..  trans-150.3151.3176.554.4-91.5000110.3F97 P98 I99 D140 D175Y94-F97 VanDerWaalsContact CB-O 3.29Å; Y94-F97 WeakPolarHBondContact CB-O 3.22Å; Y94-P98 HydrophobicContact CD2-CB 4.39Å; Y94-P98 HydrophobicContact CD2-CG 4.49Å; Y94-P98 HydrophobicContact CE1-CB 4.47Å; Y94-P98 HydrophobicContact CE2-CB 3.9Å; Y94-P98 HydrophobicContact CE2-CG 3.98Å; Y94-I99 HydrophobicContact CD1-CB 4.38Å; Y94-I99 HydrophobicContact CD1-CD1 4.46Å; Y94-I99 HydrophobicContact CD1-CG1 4.21Å; Y94-D140 WeakPolarHBondContact CE1-OD2 3.42Å; Y94-D140 PolarHBondContact OH-OD2 2.95Å; Y94-D175 WeakPolarHBondContact CA-OD2 3.36Å
95A93.3Very high95.1Very high90 Ų9051.6 Ų51.674%0.74427%0.274SS*.SBendtrans-94.3-45178.200000112.9D175A95-D175 PolarHBondContact N-OD2 2.93Å; A95-D175 VanDerWaalsContact N-OD2 3.09Å
96H93.8Very high94.9Very high144 Ų14459 Ų5967%0.66731%0.313SS*.SBendtrans-130.1-43.5-171.5-174.6-89000113.4P98H96-P98 WeakPolarHBondContact O-CD 3.32Å
97F94.4Very high94.7Very high87 Ų8761.3 Ų61.338%0.38233%0.326SS..SBendtrans-98.1111.7-179.1-61.2-70.4000110.1Y94 I99 L116Y94-F97 VanDerWaalsContact CB-O 3.29Å; Y94-F97 WeakPolarHBondContact CB-O 3.22Å; F97-I99 PolarHBondContact O-N 3.21Å; F97-L116 VanDerWaalsContact CD2-C 3.45Å
98P94.5Very high94.6Very high58 Ų5862.7 Ų62.738%0.37734%0.336SS..PPolyproline II helixtrans-60.5129.3178-23.334.4000111.5Y94 H96 N114Y94-P98 HydrophobicContact CD2-CB 4.39Å; Y94-P98 HydrophobicContact CD2-CG 4.49Å; Y94-P98 HydrophobicContact CE1-CB 4.47Å; Y94-P98 HydrophobicContact CE2-CB 3.9Å; Y94-P98 HydrophobicContact CE2-CG 3.98Å; H96-P98 WeakPolarHBondContact O-CD 3.32Å; P98-N114 PolarHBondContact O-ND2 3.49Å
99I95.7Very high94.5Very high5 Ų562 Ų623%0.02633%0.334CS..PPolyproline II helixtrans-80.2120.9177.8-60.6170.4000108.3A92 V93 Y94 F97 I112 F115A92-I99 HydrophobicContact CB-CB 4.25Å; A92-I99 HydrophobicContact CB-CD1 4.4Å; V93-I99 WeakPolarHBondContact O-CD1 3.36Å; Y94-I99 HydrophobicContact CD1-CB 4.38Å; Y94-I99 HydrophobicContact CD1-CD1 4.46Å; Y94-I99 HydrophobicContact CD1-CG1 4.21Å; F97-I99 PolarHBondContact O-N 3.21Å; I99-I112 HydrophobicContact CG2-CG2 3.64Å; I99-F115 HydrophobicContact CD1-CD2 3.91Å; I99-F115 HydrophobicContact CD1-CE2 4.35Å; I99-F115 HydrophobicContact CG1-CD2 4.26Å
100N94.2Very high94.4Very high86 Ų8659.7 Ų59.746%0.4632%0.324SS..EExtended strand (participates in β ladder)trans-98.2117.1179.2-68.1-27.3000109.6R113N100-R113 HydrophobicContact CB-CB 4.17Å; N100-R113 PolarHBondContact N-O 3.33Å; N100-R113 PolarHBondContact O-N 2.66Å
101C94.6Very high94.4Very high20 Ų2061.3 Ų61.314%0.13533%0.331CS..EExtended strand (participates in β ladder)trans-106.2117.5176.4-64.70000110.1I110 N134 L142C101-I110 HydrophobicContact CB-CD1 4.09Å; C101-N134 PolarHBondContact O-ND2 3.38Å; C101-L142 HydrophobicContact CB-CD2 3.84Å
102V94.3Very high94.4Very high61 Ų6156.2 Ų56.237%0.3731%0.312SS..EExtended strand (participates in β ladder)trans-116.3126.5177.7-177.80000108.8E111V102-E111 HydrophobicContact CB-CB 4.48Å; V102-E111 PolarHBondContact N-O 2.94Å; V102-E111 PolarHBondContact O-N 3.42Å
103T94.2Very high94.4Very high41 Ų4160.6 Ų60.625%0.25233%0.326SS..EExtended strand (participates in β ladder)trans-95.1130.2177.352.80000109.9V109 V132T103-V109 CarbonylContact C-O 3.53Å; T103-V109 WeakPolarHBondContact CA-O 3.39Å; T103-V132 HydrophobicContact CG2-CG1 4.31Å; T103-V132 VanDerWaalsContact CG2-O 3.27Å; T103-V132 WeakPolarHBondContact CG2-O 3.29Å
104S92.1Very high94.3Very high35 Ų3559.8 Ų59.825%0.24532%0.32CS..EExtended strand (participates in β ladder)trans-126.8169.8-177.7-63.50000110.6N106 N107 T108 V109S104-N106 PolarHBondContact O-N 3Å; S104-N107 PolarHBondContact O-N 3.47Å; S104-T108 PolarHBondContact O-N 2.64Å; S104-V109 PolarHBondContact N-O 3.43Å; S104-V109 PolarHBondContact O-N 2.9Å
105E90.8Very high94.4Very high107 Ų10756.9 Ų56.950%0.531%0.308SS..THydrogen-bonded Turntrans5359.8172.5-64.5172.5-142.200113.5N107 T108 V109 R123E105-N107 VanDerWaalsContact C-N 3.28Å; E105-N107 PolarHBondContact O-N 2.96Å; E105-T108 WeakPolarHBondContact O-CB 3.43Å; E105-T108 WeakPolarHBondContact O-CG2 3.4Å; E105-T108 PolarHBondContact O-N 3.35Å; E105-T108 VanDerWaalsContact O-N 3.12Å; E105-T108 PolarHBondContact O-OG1 3.26Å; E105-V109 HydrophobicContact CB-CB 4.4Å; E105-V109 HydrophobicContact CB-CG2 4.04Å; E105-V109 HydrophobicContact CG-CG2 4.32Å; E105-V109 WeakPolarHBondContact OE2-CG2 3.29Å; E105-R123 IonicContact OE1-CZ 3.77Å; E105-R123 IonicContact OE1-NH2 3.71Å; E105-R123 PolarHBondContact OE1-NH2 3.03Å; E105-R123 IonicContact OE2-NH2 2.66Å
106N91.8Very high94.4Very high154 Ų15454 Ų5482%0.82428%0.281SS*.THydrogen-bonded Turntrans53.742-179.5-61.3-31.9000113.3S104 T108S104-N106 PolarHBondContact O-N 3Å; N106-T108 PolarHBondContact O-N 3.26Å
107N93.3Very high94.3Very high59 Ų5948.7 Ų48.732%0.31626%0.264SS..THydrogen-bonded Turntrans65.622.4178.8-56.5-27.8000114.1S104 E105 T131 V132 V133S104-N107 PolarHBondContact O-N 3.47Å; E105-N107 VanDerWaalsContact C-N 3.28Å; E105-N107 PolarHBondContact O-N 2.96Å; N107-T131 HydrophobicContact CB-CG2 4.48Å; N107-T131 CarbonylContact O-C 3.59Å; N107-T131 VanDerWaalsContact O-CA 3.32Å; N107-T131 WeakPolarHBondContact O-CA 3.08Å; N107-V132 VanDerWaalsContact CB-O 3.28Å; N107-V132 WeakPolarHBondContact CB-O 3.3Å; N107-V132 WeakPolarHBondContact O-CG1 3.49Å; N107-V132 PolarHBondContact O-N 2.85Å; N107-V133 HydrophobicContact CB-CG2 4.12Å
108T94.9Very high94.3Very high55 Ų5548.4 Ų48.434%0.33726%0.264SS..THydrogen-bonded Turntrans-99.5-14177.6650000113.1S104 E105 N106 M126S104-T108 PolarHBondContact O-N 2.64Å; E105-T108 WeakPolarHBondContact O-CB 3.43Å; E105-T108 WeakPolarHBondContact O-CG2 3.4Å; E105-T108 PolarHBondContact O-N 3.35Å; E105-T108 VanDerWaalsContact O-N 3.12Å; E105-T108 PolarHBondContact O-OG1 3.26Å; N106-T108 PolarHBondContact O-N 3.26Å; T108-M126 VanDerWaalsContact O-CB 3.26Å; T108-M126 WeakPolarHBondContact O-CB 3.22Å; T108-M126 WeakPolarHBondContact O-CG 3.26Å; T108-M126 PolarHBondContact O-N 3.24Å
109V95.9Very high94.3Very high2 Ų255.6 Ų55.61%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-125.9135178.9178.30000109.4T103 S104 E105 R123 E125T103-V109 CarbonylContact C-O 3.53Å; T103-V109 WeakPolarHBondContact CA-O 3.39Å; S104-V109 PolarHBondContact N-O 3.43Å; S104-V109 PolarHBondContact O-N 2.9Å; E105-V109 HydrophobicContact CB-CB 4.4Å; E105-V109 HydrophobicContact CB-CG2 4.04Å; E105-V109 HydrophobicContact CG-CG2 4.32Å; E105-V109 WeakPolarHBondContact OE2-CG2 3.29Å; V109-R123 HydrophobicContact CG1-CG 3.5Å; V109-R123 VanDerWaalsContact CG1-CG 3.5Å; V109-E125 HydrophobicContact CG2-CG 4.13Å
110I96Very high94.2Very high0 Ų063 Ų630%032%0.318CS..EExtended strand (participates in β ladder)trans-114.7130.6170.5-172.4172.2000110.6C101 I112 R123 V124 M126 V132 L142 I159C101-I110 HydrophobicContact CB-CD1 4.09Å; I110-I112 HydrophobicContact CD1-CG1 4.4Å; I110-I112 HydrophobicContact CG1-CG1 4.27Å; I110-R123 WeakPolarHBondContact O-CA 3.39Å; I110-V124 HydrophobicContact CG2-CB 3.79Å; I110-V124 PolarHBondContact N-O 3.33Å; I110-V124 PolarHBondContact O-N 3.4Å; I110-M126 HydrophobicContact CG2-CE 3.83Å; I110-V132 HydrophobicContact CB-CG1 4.08Å; I110-V132 HydrophobicContact CD1-CG2 4.16Å; I110-L142 HydrophobicContact CD1-CD1 3.29Å; I110-L142 HydrophobicContact CD1-CD2 3.79Å; I110-L142 HydrophobicContact CD1-CG 4.18Å; I110-I159 HydrophobicContact CG2-CD1 4.05Å; I110-I159 HydrophobicContact CG2-CG1 3.95Å
111E96.2Very high94.3Very high35 Ų3562.5 Ų62.516%0.16432%0.315CS..EExtended strand (participates in β ladder)trans-104.5119.8170.6-66.2-179.7-16800109.4V102 R113 I121 R122 R123V102-E111 HydrophobicContact CB-CB 4.48Å; V102-E111 PolarHBondContact N-O 2.94Å; V102-E111 PolarHBondContact O-N 3.42Å; E111-R113 IonicContact OE2-CZ 3.8Å; E111-R113 IonicContact OE2-NE 2.69Å; E111-R113 PolarHBondContact OE2-NE 2.91Å; E111-R113 IonicContact OE2-NH2 3.45Å; E111-R113 PolarHBondContact OE2-NH2 2.93Å; E111-I121 HydrophobicContact CB-CG2 4.04Å; E111-I121 HydrophobicContact CG-CG2 4.29Å; E111-R122 WeakPolarHBondContact CA-O 3.11Å; E111-R123 HydrophobicContact CG-CG 4.42Å
112I96Very high94.3Very high0 Ų063.5 Ų63.50%032%0.316CS..EExtended strand (participates in β ladder)trans-103.6118.6177.3-55.9157.6000107.5I99 I110 R122 V124 I159 S162 T163 L177I99-I112 HydrophobicContact CG2-CG2 3.64Å; I110-I112 HydrophobicContact CD1-CG1 4.4Å; I110-I112 HydrophobicContact CG1-CG1 4.27Å; I112-R122 HydrophobicContact CB-CB 4.25Å; I112-R122 PolarHBondContact N-O 3.42Å; I112-R122 PolarHBondContact O-N 3.05Å; I112-V124 HydrophobicContact CD1-CG2 4.45Å; I112-I159 HydrophobicContact CD1-CG2 4.18Å; I112-S162 WeakPolarHBondContact CD1-OG 3.45Å; I112-T163 HydrophobicContact CD1-CG2 3.85Å; I112-T163 HydrophobicContact CG2-CG2 3.92Å; I112-L177 HydrophobicContact CD1-CD1 3.64Å; I112-L177 HydrophobicContact CG1-CD1 3.95Å; I112-L177 HydrophobicContact CG2-CD1 4.39Å
113R96Very high94.4Very high103 Ų10366.6 Ų66.639%0.38932%0.321SS..EExtended strand (participates in β ladder)trans-119156.9-176.3-54.2-177.7-179.8-170.90.4110.1N100 E111 F115 I121N100-R113 HydrophobicContact CB-CB 4.17Å; N100-R113 PolarHBondContact N-O 3.33Å; N100-R113 PolarHBondContact O-N 2.66Å; E111-R113 IonicContact OE2-CZ 3.8Å; E111-R113 IonicContact OE2-NE 2.69Å; E111-R113 PolarHBondContact OE2-NE 2.91Å; E111-R113 IonicContact OE2-NH2 3.45Å; E111-R113 PolarHBondContact OE2-NH2 2.93Å; R113-F115 PolarHBondContact O-N 2.89Å; R113-I121 HydrophobicContact CG-CG1 4.17Å; R113-I121 HydrophobicContact CG-CG2 4.05Å
114N94.8Very high94.5Very high50 Ų5065.2 Ų65.227%0.26731%0.312SS..  trans61.120.4175.6-16144.3000114.9P98 L116 G117P98-N114 PolarHBondContact O-ND2 3.49Å; N114-L116 PolarHBondContact O-N 3.33Å; N114-G117 PolarHBondContact O-N 2.81Å; N114-G117 VanDerWaalsContact O-N 3.12Å
115F95Very high94.7Very high2 Ų269.2 Ų69.21%0.00933%0.327CS..G310 helixtrans-62.7121.8173.9179.5-110.3000109.7I99 R113 G117 E118 T163 V165 D175I99-F115 HydrophobicContact CD1-CD2 3.91Å; I99-F115 HydrophobicContact CD1-CE2 4.35Å; I99-F115 HydrophobicContact CG1-CD2 4.26Å; R113-F115 PolarHBondContact O-N 2.89Å; F115-G117 PolarHBondContact O-N 3.49Å; F115-E118 VanDerWaalsContact O-CB 3.32Å; F115-E118 WeakPolarHBondContact O-CB 3.41Å; F115-E118 WeakPolarHBondContact O-CG 3.34Å; F115-E118 PolarHBondContact O-N 3.38Å; F115-T163 HydrophobicContact CD2-CG2 4.14Å; F115-T163 HydrophobicContact CE2-CG2 4.35Å; F115-T163 HydrophobicContact CG-CG2 4.46Å; F115-T163 WeakPolarHBondContact CZ-O 3.37Å; F115-V165 HydrophobicContact CZ-CG2 3.92Å; F115-D175 HydrophobicContact CE2-CB 4.14Å; F115-D175 WeakPolarHBondContact CE2-O 3.48Å
116L93.8Very high95Very high31 Ų3165 Ų6516%0.16231%0.308CS..G310 helixtrans52.622.9-172.7-68.2175.8000114.9F97 N114 E118 V165 F173 D175F97-L116 VanDerWaalsContact CD2-C 3.45Å; N114-L116 PolarHBondContact O-N 3.33Å; L116-E118 VanDerWaalsContact C-N 3.28Å; L116-E118 PolarHBondContact O-N 2.88Å; L116-V165 HydrophobicContact CD1-CB 4.39Å; L116-V165 HydrophobicContact CD1-CG1 3.94Å; L116-V165 HydrophobicContact CD1-CG2 4Å; L116-F173 HydrophobicContact CD2-CD1 4.44Å; L116-D175 HydrophobicContact CD2-CB 3.85Å; L116-D175 HydrophobicContact CG-CB 4.47Å
117G92.7Very high95.2Very high32 Ų3259 Ų5933%0.3328%0.279SS..G310 helixtrans76.810.9-176.600000114.4N114 F115N114-G117 PolarHBondContact O-N 2.81Å; N114-G117 VanDerWaalsContact O-N 3.12Å; F115-G117 PolarHBondContact O-N 3.49Å
118E93.6Very high95.2Very high80 Ų8062.1 Ų62.137%0.37430%0.303SS..  trans-71.5143.9176.5-64.2176.3170.700111.4F115 L116 Y120 R122F115-E118 VanDerWaalsContact O-CB 3.32Å; F115-E118 WeakPolarHBondContact O-CB 3.41Å; F115-E118 WeakPolarHBondContact O-CG 3.34Å; F115-E118 PolarHBondContact O-N 3.38Å; L116-E118 VanDerWaalsContact C-N 3.28Å; L116-E118 PolarHBondContact O-N 2.88Å; E118-Y120 VanDerWaalsContact C-N 3.28Å; E118-R122 IonicContact OE1-NH2 2.72Å; E118-R122 IonicContact OE2-CZ 3.36Å; E118-R122 IonicContact OE2-NE 2.73Å; E118-R122 IonicContact OE2-NH2 3.67Å; E118-R122 PolarHBondContact OE2-NH2 2.64Å
119K94.2Very high95.2Very high209 Ų20962.9 Ų62.991%0.90932%0.322SS*.  trans-79.1-10.3170.9-67.2-175.1178.2-179.30113.3
120Y94.5Very high95.2Very high161 Ų16163 Ų6363%0.63132%0.322SS*.  trans-72130.1-179.5-178.1-108.8000110.8E118 R122E118-Y120 VanDerWaalsContact C-N 3.28Å; Y120-R122 HydrophobicContact CD1-CG 3.69Å; Y120-R122 HydrophobicContact CE1-CG 3.76Å
121I95.4Very high95.2Very high75 Ų7565.5 Ų65.539%0.38534%0.338SS..  trans-94.5120.5178.6-56.4177.1000108.1E111 R113E111-I121 HydrophobicContact CB-CG2 4.04Å; E111-I121 HydrophobicContact CG-CG2 4.29Å; R113-I121 HydrophobicContact CG-CG1 4.17Å; R113-I121 HydrophobicContact CG-CG2 4.05Å
122R95.8Very high95.2Very high41 Ų4163.8 Ų63.816%0.15533%0.33CS..EExtended strand (participates in β ladder)trans-94.9108.5178.8-58.3175.7-177.4-110.2-1.7108E111 I112 E118 Y120 S162E111-R122 WeakPolarHBondContact CA-O 3.11Å; I112-R122 HydrophobicContact CB-CB 4.25Å; I112-R122 PolarHBondContact N-O 3.42Å; I112-R122 PolarHBondContact O-N 3.05Å; E118-R122 IonicContact OE1-NH2 2.72Å; E118-R122 IonicContact OE2-CZ 3.36Å; E118-R122 IonicContact OE2-NE 2.73Å; E118-R122 IonicContact OE2-NH2 3.67Å; E118-R122 PolarHBondContact OE2-NH2 2.64Å; Y120-R122 HydrophobicContact CD1-CG 3.69Å; Y120-R122 HydrophobicContact CE1-CG 3.76Å; R122-S162 WeakPolarHBondContact CD-O 3.42Å; R122-S162 PolarHBondContact NH1-O 3.16Å
123R96Very high95.2Very high127 Ų12766.5 Ų66.548%0.47935%0.346SS..EExtended strand (participates in β ladder)trans-95.7127.7177.2-171.4173.8175.9-126.7-2.7109.3E105 V109 I110 E111 E125E105-R123 IonicContact OE1-CZ 3.77Å; E105-R123 IonicContact OE1-NH2 3.71Å; E105-R123 PolarHBondContact OE1-NH2 3.03Å; E105-R123 IonicContact OE2-NH2 2.66Å; V109-R123 HydrophobicContact CG1-CG 3.5Å; V109-R123 VanDerWaalsContact CG1-CG 3.5Å; I110-R123 WeakPolarHBondContact O-CA 3.39Å; E111-R123 HydrophobicContact CG-CG 4.42Å; R123-E125 IonicContact CZ-OE1 3.8Å; R123-E125 IonicContact NH1-OE1 3.72Å; R123-E125 PolarHBondContact NH1-OE1 3.3Å; R123-E125 IonicContact NH2-OE1 3.65Å
124V96.1Very high95.1Very high12 Ų1265 Ų657%0.07335%0.346CS..EExtended strand (participates in β ladder)trans-125.4121.8177.1-173.40000108.6I110 I112 M126 L158 I159I110-V124 HydrophobicContact CG2-CB 3.79Å; I110-V124 PolarHBondContact N-O 3.33Å; I110-V124 PolarHBondContact O-N 3.4Å; I112-V124 HydrophobicContact CD1-CG2 4.45Å; V124-M126 HydrophobicContact CB-CE 4.14Å; V124-M126 HydrophobicContact CG1-CE 3.66Å; V124-L158 HydrophobicContact CG1-CB 3.72Å; V124-I159 HydrophobicContact CB-CG1 4.45Å; V124-I159 HydrophobicContact CG1-CG1 4.13Å
125E96.2Very high95Very high118 Ų11863.4 Ų63.455%0.55134%0.339SS*.EExtended strand (participates in β ladder)trans-89.8132.8176.8-59.3-178.9176.900109.4V109 R123V109-E125 HydrophobicContact CG2-CG 4.13Å; R123-E125 IonicContact CZ-OE1 3.8Å; R123-E125 IonicContact NH1-OE1 3.72Å; R123-E125 PolarHBondContact NH1-OE1 3.3Å; R123-E125 IonicContact NH2-OE1 3.65Å
126M96.3Very high94.8Very high19 Ų1970.6 Ų70.69%0.09438%0.383CS..PPolyproline II helixtrans-78.9150.3178.9-60.1-58.892.200110.6T108 I110 V124 V130 V132 I159T108-M126 VanDerWaalsContact O-CB 3.26Å; T108-M126 WeakPolarHBondContact O-CB 3.22Å; T108-M126 WeakPolarHBondContact O-CG 3.26Å; T108-M126 PolarHBondContact O-N 3.24Å; I110-M126 HydrophobicContact CG2-CE 3.83Å; V124-M126 HydrophobicContact CB-CE 4.14Å; V124-M126 HydrophobicContact CG1-CE 3.66Å; M126-V130 HydrophobicContact CB-CB 4.26Å; M126-V130 HydrophobicContact CB-CG1 4.36Å; M126-V132 HydrophobicContact CG-CB 4.21Å; M126-V132 HydrophobicContact CG-CG1 3.67Å; M126-V132 HydrophobicContact SD-CB 4.01Å; M126-V132 HydrophobicContact SD-CG1 3.87Å; M126-I159 HydrophobicContact CE-CD1 3.9Å; M126-I159 HydrophobicContact CE-CG1 3.95Å; M126-I159 HydrophobicContact SD-CD1 4.05Å
127A95.8Very high94.8Very high28 Ų2873.5 Ų73.523%0.23141%0.411CS..PPolyproline II helixtrans-60153.5171.300000111.9G129 V130 S155A127-G129 PolarHBondContact O-N 3.32Å; A127-V130 HydrophobicContact CB-CG2 4.22Å; A127-V130 WeakPolarHBondContact O-CB 3.4Å; A127-V130 PolarHBondContact O-N 2.85Å; A127-S155 PolarHBondContact N-OG 3.3Å
128P94.4Very high94.7Very high124 Ų12475.9 Ų75.981%0.80541%0.414SS*.THydrogen-bonded Turntrans-55.1129.6-179.9-26.134.7000113V130P128-V130 VanDerWaalsContact C-N 3.3Å
129G93.7Very high94.7Very high72 Ų7279.1 Ų79.174%0.74243%0.427SS*.THydrogen-bonded Turntrans79.38.2-179.100000114.9A127A127-G129 PolarHBondContact O-N 3.32Å
130V96.8Very high94.6Very high3 Ų371.7 Ų71.72%0.01840%0.397CS..EExtended strand (participates in β ladder)trans-105.4134.3171-179.30000109.5M126 A127 P128 V144 E145 V152M126-V130 HydrophobicContact CB-CB 4.26Å; M126-V130 HydrophobicContact CB-CG1 4.36Å; A127-V130 HydrophobicContact CB-CG2 4.22Å; A127-V130 WeakPolarHBondContact O-CB 3.4Å; A127-V130 PolarHBondContact O-N 2.85Å; P128-V130 VanDerWaalsContact C-N 3.3Å; V130-V144 HydrophobicContact CG1-CG1 3.44Å; V130-V144 VanDerWaalsContact CG1-CG1 3.44Å; V130-E145 CarbonylContact C-O 3.55Å; V130-E145 VanDerWaalsContact CA-O 3.24Å; V130-E145 WeakPolarHBondContact CA-O 3.46Å; V130-E145 WeakPolarHBondContact CG1-O 3.34Å; V130-V152 HydrophobicContact CG1-CG2 4.34Å; V130-V152 HydrophobicContact CG2-CG2 3.95Å
131T96.6Very high94.7Very high53 Ų5365 Ų6533%0.32537%0.372SS..EExtended strand (participates in β ladder)trans-116.6150174.754.10000110.5N107 V144 E145N107-T131 HydrophobicContact CB-CG2 4.48Å; N107-T131 CarbonylContact O-C 3.59Å; N107-T131 VanDerWaalsContact O-CA 3.32Å; N107-T131 WeakPolarHBondContact O-CA 3.08Å; T131-V144 CarbonylContact O-C 3.58Å; T131-V144 WeakPolarHBondContact O-CA 3.5Å; T131-E145 PolarHBondContact N-O 3.45Å; T131-E145 PolarHBondContact O-N 3.28Å
132V96.5Very high94.7Very high0 Ų061.7 Ų61.70%036%0.355CS..EExtended strand (participates in β ladder)trans-127.2126.6175.357.90000110.1T103 N107 I110 M126 L142 I143 V144 I159T103-V132 HydrophobicContact CG2-CG1 4.31Å; T103-V132 VanDerWaalsContact CG2-O 3.27Å; T103-V132 WeakPolarHBondContact CG2-O 3.29Å; N107-V132 VanDerWaalsContact CB-O 3.28Å; N107-V132 WeakPolarHBondContact CB-O 3.3Å; N107-V132 WeakPolarHBondContact O-CG1 3.49Å; N107-V132 PolarHBondContact O-N 2.85Å; I110-V132 HydrophobicContact CB-CG1 4.08Å; I110-V132 HydrophobicContact CD1-CG2 4.16Å; M126-V132 HydrophobicContact CG-CB 4.21Å; M126-V132 HydrophobicContact CG-CG1 3.67Å; M126-V132 HydrophobicContact SD-CB 4.01Å; M126-V132 HydrophobicContact SD-CG1 3.87Å; V132-L142 HydrophobicContact CG2-CB 4.39Å; V132-L142 HydrophobicContact CG2-CD2 4.42Å; V132-I143 WeakPolarHBondContact CA-O 3.29Å; V132-V144 HydrophobicContact CB-CG2 4.44Å; V132-V144 HydrophobicContact CG2-CG2 4.1Å; V132-I159 HydrophobicContact CG2-CD1 4.44Å
133V95.2Very high94.7Very high57 Ų5761 Ų6135%0.34535%0.354SS..EExtended strand (participates in β ladder)trans-134.5145.9-177.3-171.50000109.9N107 I143N107-V133 HydrophobicContact CB-CG2 4.12Å; V133-I143 PolarHBondContact N-O 3.48Å; V133-I143 PolarHBondContact O-N 3.1Å
134N93.2Very high94.8Very high70 Ų7055 Ų5537%0.37433%0.331SS..EExtended strand (participates in β ladder)trans-72.4130.6171.1-66.111.1000109.9C101 T136 L142C101-N134 PolarHBondContact O-ND2 3.38Å; N134-T136 PolarHBondContact O-N 2.89Å; N134-L142 WeakPolarHBondContact OD1-CD2 3.44Å
135S93Very high94.9Very high18 Ų1857 Ų5713%0.12634%0.34CS..  trans-63.3131.4178.4-171.20000110.6Q138 E141S135-Q138 PolarHBondContact OG-N 2.91Å; S135-E141 WeakPolarHBondContact CB-O 3.44Å; S135-E141 VanDerWaalsContact CB-OE1 3.3Å; S135-E141 WeakPolarHBondContact CB-OE1 3.5Å; S135-E141 PolarHBondContact N-O 3.43Å; S135-E141 PolarHBondContact OG-OE1 3.33Å
136T91.8Very high94.9Very high152 Ų15251.6 Ų51.693%0.93332%0.316SS*.SBendtrans-83.2-20.9172.754.10000112.3N134N134-T136 PolarHBondContact O-N 2.89Å
137A92.6Very high94.9Very high92 Ų9252.5 Ų52.576%0.7632%0.321SS*.SBendtrans-85.8-34.3-17600000112.6
138Q91.6Very high95Very high83 Ų8352.8 Ų52.839%0.38832%0.319SS..SBendtrans-128.4125.4-174.8-175.861.343.100109.9S135 E141S135-Q138 PolarHBondContact OG-N 2.91Å; Q138-E141 HydrophobicContact CB-CB 4.02Å; Q138-E141 HydrophobicContact CG-CB 4.07Å
139K92.1Very high95.1Very high147 Ų14748.5 Ų48.564%0.63929%0.289SS*.THydrogen-bonded Turntrans-61.1141.7172.8-169.4-168.7169.6-168.20110.3E141K139-E141 VanDerWaalsContact C-N 3.28Å; K139-E141 PolarHBondContact O-N 2.93Å
140D92.9Very high95.2Very high53 Ų5348.8 Ų48.828%0.28327%0.271SS..THydrogen-bonded Turntrans61.434.3175.7-54.6-30.4000112.9R91 A92 Y94R91-D140 WeakPolarHBondContact CA-O 3.3Å; A92-D140 HydrophobicContact CB-CB 4.13Å; A92-D140 PolarHBondContact N-O 3.23Å; Y94-D140 WeakPolarHBondContact CE1-OD2 3.42Å; Y94-D140 PolarHBondContact OH-OD2 2.95Å
141E96Very high95.3Very high22 Ų2250.1 Ų50.110%0.10328%0.28CS..EExtended strand (participates in β ladder)trans-120.1134.6175.6-179.1-179.18300111.1K89 M90 R91 S135 Q138 K139K89-E141 HydrophobicContact CB-CG 4.36Å; M90-E141 CarbonylContact O-C 3.58Å; M90-E141 VanDerWaalsContact O-CA 3.25Å; M90-E141 WeakPolarHBondContact O-CA 3.41Å; R91-E141 HydrophobicContact CG-CB 4.42Å; R91-E141 HydrophobicContact CG-CG 4.39Å; S135-E141 WeakPolarHBondContact CB-O 3.44Å; S135-E141 VanDerWaalsContact CB-OE1 3.3Å; S135-E141 WeakPolarHBondContact CB-OE1 3.5Å; S135-E141 PolarHBondContact N-O 3.43Å; S135-E141 PolarHBondContact OG-OE1 3.33Å; Q138-E141 HydrophobicContact CB-CB 4.02Å; Q138-E141 HydrophobicContact CG-CB 4.07Å; K139-E141 VanDerWaalsContact C-N 3.28Å; K139-E141 PolarHBondContact O-N 2.93Å
142L96Very high95.3Very high4 Ų447.6 Ų47.62%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-105142170.7-61.2171.7000109.5K89 M90 C101 I110 V132 N134 I159 L177K89-L142 CarbonylContact C-O 3.5Å; K89-L142 WeakPolarHBondContact CA-O 3.48Å; M90-L142 HydrophobicContact CB-CB 4.26Å; M90-L142 PolarHBondContact N-O 3.25Å; M90-L142 PolarHBondContact O-N 3.39Å; C101-L142 HydrophobicContact CB-CD2 3.84Å; I110-L142 HydrophobicContact CD1-CD1 3.29Å; I110-L142 HydrophobicContact CD1-CD2 3.79Å; I110-L142 HydrophobicContact CD1-CG 4.18Å; V132-L142 HydrophobicContact CG2-CB 4.39Å; V132-L142 HydrophobicContact CG2-CD2 4.42Å; N134-L142 WeakPolarHBondContact OD1-CD2 3.44Å; L142-I159 HydrophobicContact CD1-CG2 4.48Å; L142-L177 HydrophobicContact CD1-CD1 4.08Å; L142-L177 HydrophobicContact CD1-CD2 3.76Å; L142-L177 HydrophobicContact CG-CD2 4.43Å
143I97Very high95.4Very high28 Ų2849.5 Ų49.514%0.14428%0.278CS..EExtended strand (participates in β ladder)trans-113.7114.7176.4-65.1175.3000107.1Q87 V132 V133 E145Q87-I143 HydrophobicContact CG-CG2 3.78Å; Q87-I143 VanDerWaalsContact NE2-CG2 3.27Å; V132-I143 WeakPolarHBondContact CA-O 3.29Å; V133-I143 PolarHBondContact N-O 3.48Å; V133-I143 PolarHBondContact O-N 3.1Å; I143-E145 HydrophobicContact CG2-CG 3.71Å; I143-E145 VanDerWaalsContact CG2-OE1 3.29Å; I143-E145 WeakPolarHBondContact CG2-OE1 3.49Å
144V97.1Very high95.5Very high0 Ų048.3 Ų48.30%028%0.277CS..EExtended strand (participates in β ladder)trans-104.4117.9175.5-174.30000108.5Q87 Y88 M90 V130 T131 V132 V152 I159Q87-V144 CarbonylContact C-O 3.57Å; Q87-V144 WeakPolarHBondContact CA-O 3.33Å; Y88-V144 PolarHBondContact N-O 3.15Å; Y88-V144 PolarHBondContact O-N 3.31Å; M90-V144 HydrophobicContact CG-CG2 4.49Å; M90-V144 HydrophobicContact SD-CG2 4.08Å; V130-V144 HydrophobicContact CG1-CG1 3.44Å; V130-V144 VanDerWaalsContact CG1-CG1 3.44Å; T131-V144 CarbonylContact O-C 3.58Å; T131-V144 WeakPolarHBondContact O-CA 3.5Å; V132-V144 HydrophobicContact CB-CG2 4.44Å; V132-V144 HydrophobicContact CG2-CG2 4.1Å; V144-V152 HydrophobicContact CG1-CG1 4.13Å; V144-I159 HydrophobicContact CG2-CD1 4.18Å
145E97.1Very high95.7Very high54 Ų5445 Ų4525%0.25226%0.26SS..EExtended strand (participates in β ladder)trans-123.8145.8-174.3-73.6-179.3-177.200112.1F86 Q87 V130 T131 I143 V185F86-E145 WeakPolarHBondContact O-CA 3.49Å; Q87-E145 HydrophobicContact CB-CG 4.07Å; Q87-E145 HydrophobicContact CG-CG 3.79Å; Q87-E145 PolarHBondContact NE2-OE1 3.47Å; V130-E145 CarbonylContact C-O 3.55Å; V130-E145 VanDerWaalsContact CA-O 3.24Å; V130-E145 WeakPolarHBondContact CA-O 3.46Å; V130-E145 WeakPolarHBondContact CG1-O 3.34Å; T131-E145 PolarHBondContact N-O 3.45Å; T131-E145 PolarHBondContact O-N 3.28Å; I143-E145 HydrophobicContact CG2-CG 3.71Å; I143-E145 VanDerWaalsContact CG2-OE1 3.29Å; I143-E145 WeakPolarHBondContact CG2-OE1 3.49Å; E145-V185 HydrophobicContact CB-CG2 4.24Å; E145-V185 HydrophobicContact CG-CG2 3.84Å
146G96.7Very high95.9Very high5 Ų544.2 Ų44.25%0.05225%0.254CS..EExtended strand (participates in β ladder)trans-179.4169.3174.800000112.1F86 V152F86-G146 PolarHBondContact N-O 3.36Å; F86-G146 PolarHBondContact O-N 3.05Å; F86-G146 VanDerWaalsContact O-N 3.08Å; G146-V152 VanDerWaalsContact CA-CG2 3.45Å
147N96.9Very high96.2Very high37 Ų3738.9 Ų38.920%0.19823%0.226CC..SBendtrans-86.5-31.7-179.7-68.5-16.5000112.3R31 L34 G81 F86R31-N147 PolarHBondContact NE-OD1 3.1Å; R31-N147 VanDerWaalsContact NE-OD1 3.15Å; R31-N147 PolarHBondContact O-ND2 2.96Å; L34-N147 HydrophobicContact CD2-CB 4.22Å; G81-N147 WeakPolarHBondContact CA-O 3.34Å; F86-N147 WeakPolarHBondContact CD2-O 3.33Å
148D97Very high96.4Very high35 Ų3538.6 Ų38.619%0.18721%0.211CC..  trans-93.9121.7179.517747.4000111.5L34 E150 S151 V152L34-D148 HydrophobicContact CD2-CB 3.96Å; D148-E150 VanDerWaalsContact C-N 3.28Å; D148-E150 PolarHBondContact O-N 3.35Å; D148-S151 PolarHBondContact O-N 2.81Å; D148-S151 WeakPolarHBondContact OD2-CB 3.3Å; D148-S151 PolarHBondContact OD2-N 3.16Å; D148-S151 PolarHBondContact OD2-OG 3.44Å; D148-V152 WeakPolarHBondContact O-CG2 3.42Å; D148-V152 PolarHBondContact O-N 3.04Å
149I97Very high96.7Very high33 Ų3334.7 Ų34.717%0.16919%0.192CC..Hα-helixtrans-62.2-34.9-178.3-168.6172.9000112.4N77 F86 S153N77-I149 HydrophobicContact CB-CG2 3.97Å; F86-I149 HydrophobicContact CD1-CB 4.35Å; F86-I149 HydrophobicContact CD1-CD1 4.24Å; F86-I149 HydrophobicContact CD1-CG1 4.18Å; F86-I149 HydrophobicContact CD2-CB 3.86Å; F86-I149 HydrophobicContact CE1-CB 4.18Å; F86-I149 HydrophobicContact CE1-CD1 3.82Å; F86-I149 HydrophobicContact CE1-CG1 4.14Å; F86-I149 HydrophobicContact CE2-CB 3.68Å; F86-I149 HydrophobicContact CE2-CG1 4.49Å; F86-I149 HydrophobicContact CG-CB 4.19Å; F86-I149 HydrophobicContact CG-CG1 4.37Å; F86-I149 HydrophobicContact CZ-CB 3.85Å; F86-I149 HydrophobicContact CZ-CD1 4.12Å; F86-I149 HydrophobicContact CZ-CG1 4.31Å; I149-S153 WeakPolarHBondContact O-CB 3.34Å; I149-S153 PolarHBondContact O-N 3.26Å; I149-S153 PolarHBondContact O-OG 2.73Å
150E97Very high96.9Very high78 Ų7831.4 Ų31.436%0.36418%0.18SC..Hα-helixtrans-72-42.7-178.5-73.8-179.2-168.100111.1R36 H74 D148 S153 G154R36-E150 IonicContact CZ-OE1 3.36Å; R36-E150 IonicContact CZ-OE2 3.42Å; R36-E150 IonicContact NH1-OE1 3Å; R36-E150 PolarHBondContact NH1-OE1 3.01Å; R36-E150 IonicContact NH1-OE2 3.2Å; R36-E150 PolarHBondContact NH1-OE2 3.16Å; R36-E150 VanDerWaalsContact NH2-CD 3.32Å; R36-E150 IonicContact NH2-OE1 3.07Å; R36-E150 PolarHBondContact NH2-OE1 3Å; R36-E150 IonicContact NH2-OE2 3Å; R36-E150 PolarHBondContact NH2-OE2 3.39Å; R36-E150 VanDerWaalsContact NH2-OE2 3.07Å; H74-E150 IonicContact CE1-OE1 3.62Å; H74-E150 PolarHBondContact CE1-OE1 3.47Å; H74-E150 IonicContact ND1-OE1 2.69Å; H74-E150 PolarHBondContact ND1-OE1 3.26Å; D148-E150 VanDerWaalsContact C-N 3.28Å; D148-E150 PolarHBondContact O-N 3.35Å; E150-S153 WeakPolarHBondContact CA-OG 3.35Å; E150-S153 PolarHBondContact O-OG 2.69Å; E150-G154 WeakPolarHBondContact O-CA 3.42Å; E150-G154 PolarHBondContact O-N 3.44Å
151S97.1Very high97.1Very high31 Ų3135.2 Ų35.222%0.21720%0.195CC..Hα-helixtrans-61.7-47.2173.6-58.40000111.5D148 S155D148-S151 PolarHBondContact O-N 2.81Å; D148-S151 WeakPolarHBondContact OD2-CB 3.3Å; D148-S151 PolarHBondContact OD2-N 3.16Å; D148-S151 PolarHBondContact OD2-OG 3.44Å; S151-S155 WeakPolarHBondContact O-CB 3.39Å; S151-S155 PolarHBondContact O-N 3Å; S151-S155 PolarHBondContact O-OG 3.03Å
152V97.7Very high97.1Very high0 Ų035.3 Ų35.30%020%0.199CC..Hα-helixtrans-63.2-47.4178.6171.50000111.3F86 Y88 V130 V144 G146 D148 S155 A156F86-V152 HydrophobicContact CB-CG2 4.39Å; Y88-V152 HydrophobicContact CD1-CG1 3.75Å; Y88-V152 HydrophobicContact CD2-CG1 4.17Å; Y88-V152 HydrophobicContact CE1-CG1 4.17Å; Y88-V152 HydrophobicContact CG-CG1 3.76Å; V130-V152 HydrophobicContact CG1-CG2 4.34Å; V130-V152 HydrophobicContact CG2-CG2 3.95Å; V144-V152 HydrophobicContact CG1-CG1 4.13Å; G146-V152 VanDerWaalsContact CA-CG2 3.45Å; D148-V152 WeakPolarHBondContact O-CG2 3.42Å; D148-V152 PolarHBondContact O-N 3.04Å; V152-S155 PolarHBondContact O-N 2.95Å; V152-A156 WeakPolarHBondContact O-CB 3.38Å; V152-A156 PolarHBondContact O-N 2.88Å
153S97.7Very high97Very high41 Ų4135.3 Ų35.329%0.28720%0.199SC..Hα-helixtrans-69.2-36.7-179.459.30000113I149 E150 A156 A157I149-S153 WeakPolarHBondContact O-CB 3.34Å; I149-S153 PolarHBondContact O-N 3.26Å; I149-S153 PolarHBondContact O-OG 2.73Å; E150-S153 WeakPolarHBondContact CA-OG 3.35Å; E150-S153 PolarHBondContact O-OG 2.69Å; S153-A156 PolarHBondContact O-N 3.2Å; S153-A157 WeakPolarHBondContact O-CB 3.35Å; S153-A157 PolarHBondContact O-N 3.33Å
154G97.6Very high96.9Very high32 Ų3237.4 Ų37.433%0.3321%0.213SC..Hα-helixtrans-62.2-47.7173.600000111.7E150 A156 A157 L158E150-G154 WeakPolarHBondContact O-CA 3.42Å; E150-G154 PolarHBondContact O-N 3.44Å; G154-A156 PolarHBondContact O-N 3.27Å; G154-A157 PolarHBondContact O-N 3.2Å; G154-L158 WeakPolarHBondContact O-CG 3.47Å; G154-L158 PolarHBondContact O-N 3.07Å
155S97.5Very high96.8Very high1 Ų138.1 Ų38.11%0.00722%0.217CC..Hα-helixtrans-58.4-47.3174.9-67.40000112.3A127 S151 V152 A157 L158 I159A127-S155 PolarHBondContact N-OG 3.3Å; S151-S155 WeakPolarHBondContact O-CB 3.39Å; S151-S155 PolarHBondContact O-N 3Å; S151-S155 PolarHBondContact O-OG 3.03Å; V152-S155 PolarHBondContact O-N 2.95Å; S155-A157 VanDerWaalsContact C-N 3.33Å; S155-A157 PolarHBondContact O-N 3.25Å; S155-L158 PolarHBondContact O-N 3.45Å; S155-I159 WeakPolarHBondContact O-CG1 3.22Å; S155-I159 PolarHBondContact O-N 3.3Å; S155-I159 VanDerWaalsContact O-N 3.09Å
156A97.7Very high96.7Very high1 Ų143 Ų431%0.00824%0.238CC..Hα-helixtrans-62.5-39.2176.700000112.4Y88 M90 V152 S153 G154 I159 Q160 V179Y88-A156 HydrophobicContact CD2-CB 4.03Å; M90-A156 HydrophobicContact CE-CB 4.42Å; M90-A156 VanDerWaalsContact CE-O 3.29Å; M90-A156 WeakPolarHBondContact CE-O 3.43Å; M90-A156 HydrophobicContact SD-CB 3.73Å; V152-A156 WeakPolarHBondContact O-CB 3.38Å; V152-A156 PolarHBondContact O-N 2.88Å; S153-A156 PolarHBondContact O-N 3.2Å; G154-A156 PolarHBondContact O-N 3.27Å; A156-I159 PolarHBondContact O-N 2.87Å; A156-Q160 PolarHBondContact O-N 3.34Å; A156-V179 HydrophobicContact CB-CG2 4.03Å
157A97.8Very high96.6Very high40 Ų4051.1 Ų51.133%0.33128%0.28SS..Hα-helixtrans-65.3-39.4176.100000112.1S153 G154 S155 Q160 Q161S153-A157 WeakPolarHBondContact O-CB 3.35Å; S153-A157 PolarHBondContact O-N 3.33Å; G154-A157 PolarHBondContact O-N 3.2Å; S155-A157 VanDerWaalsContact C-N 3.33Å; S155-A157 PolarHBondContact O-N 3.25Å; A157-Q160 PolarHBondContact O-N 2.82Å; A157-Q161 WeakPolarHBondContact O-CB 2.88Å; A157-Q161 VanDerWaalsContact O-CG 3.3Å; A157-Q161 WeakPolarHBondContact O-CG 3.46Å; A157-Q161 PolarHBondContact O-N 2.88Å
158L97.4Very high96.4Very high86 Ų8654.5 Ų54.545%0.4529%0.293SS..Hα-helixtrans-62.3-42.2175.2-72.3172.3000111.7V124 G154 S155 Q161 S162V124-L158 HydrophobicContact CG1-CB 3.72Å; G154-L158 WeakPolarHBondContact O-CG 3.47Å; G154-L158 PolarHBondContact O-N 3.07Å; S155-L158 PolarHBondContact O-N 3.45Å; L158-Q161 PolarHBondContact O-N 2.87Å; L158-S162 VanDerWaalsContact O-CB 3.29Å; L158-S162 WeakPolarHBondContact O-CB 3.43Å; L158-S162 PolarHBondContact O-N 3.39Å
159I96.9Very high96.3Very high0 Ų056 Ų560%030%0.301CS..Hα-helixtrans-59.1-49.9174.1-67171.8000110.5M90 I110 I112 V124 M126 V132 L142 V144 S155 A156 S162 T163 L177M90-I159 HydrophobicContact CE-CB 3.97Å; M90-I159 HydrophobicContact CE-CG2 3.74Å; M90-I159 HydrophobicContact SD-CB 4.13Å; M90-I159 HydrophobicContact SD-CD1 4.06Å; M90-I159 HydrophobicContact SD-CG2 4.04Å; I110-I159 HydrophobicContact CG2-CD1 4.05Å; I110-I159 HydrophobicContact CG2-CG1 3.95Å; I112-I159 HydrophobicContact CD1-CG2 4.18Å; V124-I159 HydrophobicContact CB-CG1 4.45Å; V124-I159 HydrophobicContact CG1-CG1 4.13Å; M126-I159 HydrophobicContact CE-CD1 3.9Å; M126-I159 HydrophobicContact CE-CG1 3.95Å; M126-I159 HydrophobicContact SD-CD1 4.05Å; V132-I159 HydrophobicContact CG2-CD1 4.44Å; L142-I159 HydrophobicContact CD1-CG2 4.48Å; V144-I159 HydrophobicContact CG2-CD1 4.18Å; S155-I159 WeakPolarHBondContact O-CG1 3.22Å; S155-I159 PolarHBondContact O-N 3.3Å; S155-I159 VanDerWaalsContact O-N 3.09Å; A156-I159 PolarHBondContact O-N 2.87Å; I159-S162 PolarHBondContact O-N 3.4Å; I159-S162 PolarHBondContact O-OG 3.35Å; I159-T163 PolarHBondContact O-N 2.9Å; I159-T163 PolarHBondContact O-OG1 3.14Å; I159-L177 HydrophobicContact CG2-CB 3.88Å; I159-L177 HydrophobicContact CG2-CD1 3.54Å; I159-L177 HydrophobicContact CG2-CG 4.29Å
160Q97Very high96.2Very high79 Ų7960 Ų6037%0.36932%0.321SS..Hα-helixtrans-63.3-45.5179.8-179.6176.1-16.400112.1M90 A156 A157 S162 T163 L177 Y178M90-Q160 HydrophobicContact CE-CB 4.21Å; A156-Q160 PolarHBondContact O-N 3.34Å; A157-Q160 PolarHBondContact O-N 2.82Å; Q160-S162 VanDerWaalsContact C-N 3.29Å; Q160-S162 PolarHBondContact O-N 2.94Å; Q160-T163 CarbonylContact O-C 3.4Å; Q160-T163 PolarHBondContact O-N 2.91Å; Q160-T163 VanDerWaalsContact O-N 3.07Å; Q160-T163 PolarHBondContact O-OG1 3.12Å; Q160-T163 VanDerWaalsContact O-OG1 3.13Å; Q160-L177 WeakPolarHBondContact CA-O 3.34Å; Q160-L177 WeakPolarHBondContact CB-O 3.26Å; Q160-L177 WeakPolarHBondContact CG-O 3.38Å; Q160-Y178 HydrophobicContact CG-CD1 4.4Å
161Q96.8Very high96Very high132 Ų13265.6 Ų65.662%0.61734%0.339SS*.Hα-helixtrans-63.9-36.9178-74.4179.6-5.900111.7A157 L158 T163 T164A157-Q161 WeakPolarHBondContact O-CB 2.88Å; A157-Q161 VanDerWaalsContact O-CG 3.3Å; A157-Q161 WeakPolarHBondContact O-CG 3.46Å; A157-Q161 PolarHBondContact O-N 2.88Å; L158-Q161 PolarHBondContact O-N 2.87Å; Q161-T163 PolarHBondContact O-N 2.87Å; Q161-T164 WeakPolarHBondContact O-CB 3.38Å; Q161-T164 PolarHBondContact O-N 3.4Å; Q161-T164 PolarHBondContact O-OG1 2.9Å
162S95.5Very high95.9Very high25 Ų2572 Ų7218%0.17536%0.363CS..Hα-helixtrans-60.5-28.5174.981.90000112I112 R122 L158 I159 Q160I112-S162 WeakPolarHBondContact CD1-OG 3.45Å; R122-S162 WeakPolarHBondContact CD-O 3.42Å; R122-S162 PolarHBondContact NH1-O 3.16Å; L158-S162 VanDerWaalsContact O-CB 3.29Å; L158-S162 WeakPolarHBondContact O-CB 3.43Å; L158-S162 PolarHBondContact O-N 3.39Å; I159-S162 PolarHBondContact O-N 3.4Å; I159-S162 PolarHBondContact O-OG 3.35Å; Q160-S162 VanDerWaalsContact C-N 3.29Å; Q160-S162 PolarHBondContact O-N 2.94Å
163T95Very high95.7Very high4 Ų475.4 Ų75.43%0.02538%0.378CS..THydrogen-bonded Turntrans-101.729.5179.652.60000113.2I112 F115 I159 Q160 Q161 V165 L177I112-T163 HydrophobicContact CD1-CG2 3.85Å; I112-T163 HydrophobicContact CG2-CG2 3.92Å; F115-T163 HydrophobicContact CD2-CG2 4.14Å; F115-T163 HydrophobicContact CE2-CG2 4.35Å; F115-T163 HydrophobicContact CG-CG2 4.46Å; F115-T163 WeakPolarHBondContact CZ-O 3.37Å; I159-T163 PolarHBondContact O-N 2.9Å; I159-T163 PolarHBondContact O-OG1 3.14Å; Q160-T163 CarbonylContact O-C 3.4Å; Q160-T163 PolarHBondContact O-N 2.91Å; Q160-T163 VanDerWaalsContact O-N 3.07Å; Q160-T163 PolarHBondContact O-OG1 3.12Å; Q160-T163 VanDerWaalsContact O-OG1 3.13Å; Q161-T163 PolarHBondContact O-N 2.87Å; T163-V165 PolarHBondContact O-N 2.97Å; T163-L177 HydrophobicContact CG2-CD1 4.02Å; T163-L177 HydrophobicContact CG2-CG 4.45Å; T163-L177 PolarHBondContact OG1-N 2.73Å; T163-L177 VanDerWaalsContact OG1-N 3.13Å
164T94.9Very high95.5Very high71 Ų7178.2 Ų78.244%0.43639%0.39SS..  trans-77.4125.6175.2-59.40000111.3Q161Q161-T164 WeakPolarHBondContact O-CB 3.38Å; Q161-T164 PolarHBondContact O-N 3.4Å; Q161-T164 PolarHBondContact O-OG1 2.9Å
165V95.1Very high95.5Very high15 Ų1577.1 Ų77.19%0.09138%0.376CS..  trans-66.5130172-176.80000110.2F115 L116 T163 K168 F173 D175F115-V165 HydrophobicContact CZ-CG2 3.92Å; L116-V165 HydrophobicContact CD1-CB 4.39Å; L116-V165 HydrophobicContact CD1-CG1 3.94Å; L116-V165 HydrophobicContact CD1-CG2 4Å; T163-V165 PolarHBondContact O-N 2.97Å; V165-K168 HydrophobicContact CG1-CB 3.81Å; V165-K168 HydrophobicContact CG1-CD 3.96Å; V165-K168 HydrophobicContact CG1-CG 4.27Å; V165-F173 HydrophobicContact CG1-CB 4.12Å; V165-F173 HydrophobicContact CG2-CB 4.46Å; V165-D175 WeakPolarHBondContact CG2-O 3.42Å
166K93.7Very high95.4Very high158 Ų15877.1 Ų77.169%0.68738%0.376SS*.  trans-116.1150.3177-62.2-177.1-178.9-179.40110.6K168K166-K168 PolarHBondContact O-N 3.22Å; K166-K168 VanDerWaalsContact O-N 3.15Å
167N94.4Very high95.3Very high175 Ų17577.1 Ų77.194%0.93638%0.376SS*.SBendtrans55.329.1174.2-55.2-26.6000115.1
168K93.2Very high95.3Very high108 Ų10879.4 Ų79.447%0.4738%0.377SS..SBendtrans-139.1164.1174.6-63.1177.4-176.9-82.60109.5V165 K166 I170 F173V165-K168 HydrophobicContact CG1-CB 3.81Å; V165-K168 HydrophobicContact CG1-CD 3.96Å; V165-K168 HydrophobicContact CG1-CG 4.27Å; K166-K168 PolarHBondContact O-N 3.22Å; K166-K168 VanDerWaalsContact O-N 3.15Å; K168-I170 PolarHBondContact O-N 2.83Å; K168-I170 VanDerWaalsContact O-N 3.16Å; K168-F173 HydrophobicContact CB-CD2 3.64Å; K168-F173 HydrophobicContact CB-CE2 4.04Å; K168-F173 HydrophobicContact CB-CG 4.24Å; K168-F173 HydrophobicContact CD-CD1 4.08Å; K168-F173 HydrophobicContact CD-CD2 3.92Å; K168-F173 HydrophobicContact CD-CE1 4.22Å; K168-F173 HydrophobicContact CD-CE2 4.05Å; K168-F173 HydrophobicContact CD-CG 3.92Å; K168-F173 HydrophobicContact CD-CZ 4.2Å; K168-F173 HydrophobicContact CG-CD2 4.25Å; K168-F173 HydrophobicContact CG-CE2 4.32Å
169D95.4Very high95.3Very high67 Ų6777.4 Ų77.436%0.35837%0.368SS..  trans-71107.9173-170.2-18.6000110.3R171 K172 F173D169-R171 PolarHBondContact O-N 2.97Å; D169-R171 VanDerWaalsContact O-N 3.1Å; D169-R171 VanDerWaalsContact OD1-CB 3.28Å; D169-R171 WeakPolarHBondContact OD1-CB 3.42Å; D169-R171 WeakPolarHBondContact OD1-CG 3.42Å; D169-R171 IonicContact OD1-CZ 3.49Å; D169-R171 PolarHBondContact OD1-N 3.05Å; D169-R171 IonicContact OD1-NE 3.35Å; D169-R171 PolarHBondContact OD1-NE 2.93Å; D169-R171 IonicContact OD1-NH2 2.78Å; D169-R171 IonicContact OD2-CZ 2.74Å; D169-R171 IonicContact OD2-NE 3.86Å; D169-R171 PolarHBondContact OD2-NE 2.82Å; D169-R171 IonicContact OD2-NH2 3.02Å; D169-R171 PolarHBondContact OD2-NH2 3.05Å; D169-K172 HydrophobicContact CB-CB 4.4Å; D169-K172 PolarHBondContact O-N 3.35Å; D169-F173 PolarHBondContact O-N 2.85Å
170I94.5Very high95.2Very high116 Ų11680.5 Ų80.560%0.59539%0.39SS*.THydrogen-bonded Turntrans-63.2-12.5-179.861.9171.4000113.6K168 L174K168-I170 PolarHBondContact O-N 2.83Å; K168-I170 VanDerWaalsContact O-N 3.16Å; I170-L174 VanDerWaalsContact O-CD2 3.3Å; I170-L174 WeakPolarHBondContact O-CD2 3.47Å
171R93.9Very high95.2Very high196 Ų19681 Ų8174%0.7439%0.392SS*.THydrogen-bonded Turntrans-84.3-21175.1-56.3170.8-64.1175.25.2112.2D169D169-R171 PolarHBondContact O-N 2.97Å; D169-R171 VanDerWaalsContact O-N 3.1Å; D169-R171 VanDerWaalsContact OD1-CB 3.28Å; D169-R171 WeakPolarHBondContact OD1-CB 3.42Å; D169-R171 WeakPolarHBondContact OD1-CG 3.42Å; D169-R171 IonicContact OD1-CZ 3.49Å; D169-R171 PolarHBondContact OD1-N 3.05Å; D169-R171 IonicContact OD1-NE 3.35Å; D169-R171 PolarHBondContact OD1-NE 2.93Å; D169-R171 IonicContact OD1-NH2 2.78Å; D169-R171 IonicContact OD2-CZ 2.74Å; D169-R171 IonicContact OD2-NE 3.86Å; D169-R171 PolarHBondContact OD2-NE 2.82Å; D169-R171 IonicContact OD2-NH2 3.02Å; D169-R171 PolarHBondContact OD2-NH2 3.05Å
172K94.1Very high95.2Very high166 Ų16681.7 Ų81.772%0.72239%0.393SS*.THydrogen-bonded Turntrans-100.1-41.3178.4-175.3174-178.6174.80111.7D169D169-K172 HydrophobicContact CB-CB 4.4Å; D169-K172 PolarHBondContact O-N 3.35Å
173F92.9Very high95.2Very high70 Ų7082.4 Ų82.431%0.30740%0.396SS..  trans-97.990.5177.9-64.3-85.2000109.1L116 V165 K168 D169 D175L116-F173 HydrophobicContact CD2-CD1 4.44Å; V165-F173 HydrophobicContact CG1-CB 4.12Å; V165-F173 HydrophobicContact CG2-CB 4.46Å; K168-F173 HydrophobicContact CB-CD2 3.64Å; K168-F173 HydrophobicContact CB-CE2 4.04Å; K168-F173 HydrophobicContact CB-CG 4.24Å; K168-F173 HydrophobicContact CD-CD1 4.08Å; K168-F173 HydrophobicContact CD-CD2 3.92Å; K168-F173 HydrophobicContact CD-CE1 4.22Å; K168-F173 HydrophobicContact CD-CE2 4.05Å; K168-F173 HydrophobicContact CD-CG 3.92Å; K168-F173 HydrophobicContact CD-CZ 4.2Å; K168-F173 HydrophobicContact CG-CD2 4.25Å; K168-F173 HydrophobicContact CG-CE2 4.32Å; D169-F173 PolarHBondContact O-N 2.85Å; F173-D175 VanDerWaalsContact C-N 3.31Å
174L95.1Very high95.2Very high101 Ų10182.5 Ų82.553%0.52940%0.397SS..  trans-92.99.9-177.9-60.5173.8000112.7I170 G176 Y178I170-L174 VanDerWaalsContact O-CD2 3.3Å; I170-L174 WeakPolarHBondContact O-CD2 3.47Å; L174-G176 PolarHBondContact O-N 2.89Å; L174-Y178 WeakPolarHBondContact O-CE2 3.5Å; L174-Y178 PolarHBondContact O-OH 3.22Å
175D95.6Very high95.1Very high9 Ų981 Ų815%0.04839%0.388CS..  trans-64130.4-178.6-59.449000110.4V93 Y94 A95 F115 L116 V165 F173V93-D175 CarbonylContact O-C 3.52Å; V93-D175 WeakPolarHBondContact O-CA 3.49Å; Y94-D175 WeakPolarHBondContact CA-OD2 3.36Å; A95-D175 PolarHBondContact N-OD2 2.93Å; A95-D175 VanDerWaalsContact N-OD2 3.09Å; F115-D175 HydrophobicContact CE2-CB 4.14Å; F115-D175 WeakPolarHBondContact CE2-O 3.48Å; L116-D175 HydrophobicContact CD2-CB 3.85Å; L116-D175 HydrophobicContact CG-CB 4.47Å; V165-D175 WeakPolarHBondContact CG2-O 3.42Å; F173-D175 VanDerWaalsContact C-N 3.31Å
176G95.6Very high94.9Very high1 Ų183.6 Ų83.61%0.0140%0.403CS..EExtended strand (participates in β ladder)trans169.5175.3-176.500000113.9V93 L174V93-G176 PolarHBondContact N-O 3Å; V93-G176 PolarHBondContact O-N 2.79Å; L174-G176 PolarHBondContact O-N 2.89Å
177L96.4Very high94.6Very high0 Ų084.6 Ų84.60%041%0.408CS..EExtended strand (participates in β ladder)trans-106.7118.8171.2-79.6162000109.8M90 R91 A92 I112 L142 I159 Q160 T163M90-L177 HydrophobicContact CE-CB 4.26Å; R91-L177 WeakPolarHBondContact O-CA 3.44Å; A92-L177 HydrophobicContact CB-CD2 3.6Å; A92-L177 HydrophobicContact CB-CG 4.41Å; I112-L177 HydrophobicContact CD1-CD1 3.64Å; I112-L177 HydrophobicContact CG1-CD1 3.95Å; I112-L177 HydrophobicContact CG2-CD1 4.39Å; L142-L177 HydrophobicContact CD1-CD1 4.08Å; L142-L177 HydrophobicContact CD1-CD2 3.76Å; L142-L177 HydrophobicContact CG-CD2 4.43Å; I159-L177 HydrophobicContact CG2-CB 3.88Å; I159-L177 HydrophobicContact CG2-CD1 3.54Å; I159-L177 HydrophobicContact CG2-CG 4.29Å; Q160-L177 WeakPolarHBondContact CA-O 3.34Å; Q160-L177 WeakPolarHBondContact CB-O 3.26Å; Q160-L177 WeakPolarHBondContact CG-O 3.38Å; T163-L177 HydrophobicContact CG2-CD1 4.02Å; T163-L177 HydrophobicContact CG2-CG 4.45Å; T163-L177 PolarHBondContact OG1-N 2.73Å; T163-L177 VanDerWaalsContact OG1-N 3.13Å
178Y97.4Very high93.8Very high89 Ų8980.5 Ų80.535%0.34939%0.385SS..EExtended strand (participates in β ladder)trans-123.6141.5-174.8-59-77000111.9M90 R91 V93 Q160 L174 S180M90-Y178 CarbonylContact C-O 3.47Å; M90-Y178 WeakPolarHBondContact CA-O 3.42Å; R91-Y178 PolarHBondContact N-O 3.42Å; R91-Y178 PolarHBondContact O-N 2.99Å; V93-Y178 HydrophobicContact CB-CD2 4.37Å; V93-Y178 HydrophobicContact CB-CE2 4.34Å; V93-Y178 HydrophobicContact CG2-CD2 4.02Å; V93-Y178 HydrophobicContact CG2-CE2 4.44Å; Q160-Y178 HydrophobicContact CG-CD1 4.4Å; L174-Y178 WeakPolarHBondContact O-CE2 3.5Å; L174-Y178 PolarHBondContact O-OH 3.22Å; Y178-S180 PolarHBondContact O-N 2.68Å
179V97.7Very high92.5Very high44 Ų4484.7 Ų84.727%0.26741%0.406SS..EExtended strand (participates in β ladder)trans-67.2114.2172.2-1770000109.3Y88 K89 M90 A156 K182Y88-V179 HydrophobicContact CD2-CG1 4.14Å; Y88-V179 HydrophobicContact CD2-CG2 4.45Å; K89-V179 CarbonylContact O-C 3.52Å; K89-V179 WeakPolarHBondContact O-CA 3.32Å; M90-V179 HydrophobicContact CE-CG2 4.12Å; M90-V179 HydrophobicContact CG-CG2 4.02Å; M90-V179 HydrophobicContact SD-CG2 4.41Å; A156-V179 HydrophobicContact CB-CG2 4.03Å; V179-K182 HydrophobicContact CG1-CG 3.92Å
180S96Very high90.2Very high65 Ų6590.6 Ų90.646%0.45545%0.453SS..EExtended strand (participates in β ladder)trans-87.6-40.3178.454.30000112.2K89 Y178K89-S180 WeakPolarHBondContact CB-OG 3.08Å; K89-S180 PolarHBondContact O-N 2.57Å; K89-S180 PolarHBondContact O-OG 2.99Å; Y178-S180 PolarHBondContact O-N 2.68Å
181E95.8Very high90Very high88 Ų8889.4 Ų89.441%0.41145%0.446SS..EExtended strand (participates in β ladder)trans-144.7142.3-174.4-164.1-174.7169.700110.8Y88 K89Y88-E181 WeakPolarHBondContact CA-O 3.41Å; K89-E181 HydrophobicContact CB-CB 4.18Å; K89-E181 HydrophobicContact CD-CB 4.21Å; K89-E181 WeakPolarHBondContact CD-OE2 3.42Å; K89-E181 WeakPolarHBondContact CE-OE2 3.28Å; K89-E181 HydrophobicContact CG-CB 4.43Å; K89-E181 PolarHBondContact N-O 3.07Å; K89-E181 IonicContact NZ-OE2 3.15Å; K89-E181 PolarHBondContact NZ-OE2 3.19Å; K89-E181 PolarHBondContact O-N 2.85Å
182K96.3Very high89.8Confident148 Ų14883.7 Ų83.764%0.64343%0.43SS*.EExtended strand (participates in β ladder)trans-117.5108.4172.4-62.6178.6-178175.70108.4Y88 V179Y88-K182 HydrophobicContact CD1-CB 4.17Å; Y88-K182 HydrophobicContact CD1-CG 4.03Å; Y88-K182 HydrophobicContact CD2-CG 4.2Å; Y88-K182 HydrophobicContact CE1-CB 3.93Å; Y88-K182 HydrophobicContact CE1-CD 4.17Å; Y88-K182 HydrophobicContact CE1-CG 3.83Å; Y88-K182 HydrophobicContact CE2-CD 3.99Å; Y88-K182 HydrophobicContact CE2-CG 4.02Å; Y88-K182 HydrophobicContact CG-CG 4.22Å; V179-K182 HydrophobicContact CG1-CG 3.92Å
183T95.4Very high89.6Confident39 Ų3979.2 Ų79.224%0.23941%0.414CS..EExtended strand (participates in β ladder)trans-133.5-168.2-174.2-165.20000111Q87Q87-T183 HydrophobicContact CB-CG2 3.89Å; Q87-T183 HydrophobicContact CG-CG2 4.17Å; Q87-T183 PolarHBondContact N-O 3.32Å; Q87-T183 CarbonylContact O-C 3.6Å; Q87-T183 PolarHBondContact O-N 2.94Å; Q87-T183 VanDerWaalsContact O-O 3.11Å
184T95.5Very high89.4Confident6 Ų679.7 Ų79.74%0.03742%0.421CS..  trans-116.6150.6176.5530000110.7F84 G85 V186F84-T184 HydrophobicContact CB-CG2 3.9Å; G85-T184 VanDerWaalsContact O-CA 3.24Å; G85-T184 WeakPolarHBondContact O-CA 3.3Å; G85-T184 VanDerWaalsContact O-CB 3.22Å; G85-T184 WeakPolarHBondContact O-CB 3.48Å; G85-T184 VanDerWaalsContact O-CG2 3.32Å; G85-T184 WeakPolarHBondContact O-CG2 3.35Å; T184-V186 WeakPolarHBondContact CB-O 3.19Å; T184-V186 PolarHBondContact OG1-O 3.24Å
185V93.2Very high89Confident41 Ų4178.4 Ų78.425%0.24841%0.414CS..SBendtrans-66.3-47.9-179.9-178.70000110.1F84 G85 Q87 E145F84-V185 WeakPolarHBondContact O-CB 3.16Å; F84-V185 PolarHBondContact O-N 2.89Å; G85-V185 PolarHBondContact O-N 3.17Å; Q87-V185 HydrophobicContact CB-CG2 4.01Å; E145-V185 HydrophobicContact CB-CG2 4.24Å; E145-V185 HydrophobicContact CG-CG2 3.84Å
186V91.5Very high88.6Confident68 Ų6883 Ų8341%0.41244%0.438SS..SBendtrans-85117.6167.9-175.80000107.2F84 T184 L188F84-V186 HydrophobicContact CB-CB 4.36Å; F84-V186 HydrophobicContact CD1-CB 4.12Å; F84-V186 HydrophobicContact CD1-CG1 4.22Å; F84-V186 PolarHBondContact O-N 3.21Å; T184-V186 WeakPolarHBondContact CB-O 3.19Å; T184-V186 PolarHBondContact OG1-O 3.24Å; V186-L188 PolarHBondContact O-N 2.79Å
187K86.1Confident88.1Confident180 Ų18088.9 Ų88.978%0.78347%0.469SS*.  trans-62.7130.9177.4-67.2-176179.1179.50109.3E189K187-E189 PolarHBondContact O-N 2.84Å
188L77.3Confident87.4Confident88 Ų8895.7 Ų95.746%0.46151%0.505SS..  trans-69.4114.2167.9-72.7156.4000107F84 V186 S190F84-L188 HydrophobicContact CD1-CD2 3.98Å; F84-L188 HydrophobicContact CD1-CG 4.38Å; F84-L188 HydrophobicContact CD2-CD2 4.1Å; F84-L188 HydrophobicContact CE1-CD2 3.52Å; F84-L188 HydrophobicContact CE1-CG 4.35Å; F84-L188 HydrophobicContact CE2-CD2 3.64Å; F84-L188 HydrophobicContact CG-CD2 4.25Å; F84-L188 HydrophobicContact CZ-CD2 3.33Å; V186-L188 PolarHBondContact O-N 2.79Å; L188-S190 PolarHBondContact O-N 2.99Å
189E67.4Low86.6Confident196 Ų19696.3 Ų96.392%0.91652%0.518SS*.  trans-57.1122164.6-66.5-177.8168.100107K187K187-E189 PolarHBondContact O-N 2.84Å
190S46.9Very low85.6Confident192 Ų192101 Ų101100%1.34354%0.541SS*.  trans-80.40179.2-58.90000111L188L188-S190 PolarHBondContact O-N 2.99Å

Retrieved 190 of 190 residues in 94.6 ms (Link to these results)

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