A0A077Z4S0_TRITR Loading...

DNA-directed RNA polymerase II subunit RPB7

AlphaFold DB , UniProt , Accession A0A077Z4S0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 174 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
1M90.8Very high95.8Very high88 Ų8878.3 Ų78.343%0.43337%0.374SS..  0147.90-177.858.967.900110.4Y3 R78 F80 E83M1-Y3 HydrophobicContact CB-CD2 4.46Å; M1-Y3 HydrophobicContact CB-CE2 3.61Å; M1-Y3 HydrophobicContact CG-CD2 4.48Å; M1-Y3 HydrophobicContact CG-CE1 4.13Å; M1-Y3 HydrophobicContact CG-CE2 3.86Å; M1-Y3 WeakPolarHBondContact O-CD2 3.43Å; M1-Y3 WeakPolarHBondContact O-CE2 3.01Å; M1-R78 PolarHBondContact N-O 2.67Å; M1-R78 PolarHBondContact O-N 3.21Å; M1-F80 HydrophobicContact CB-CD1 4.44Å; M1-F80 HydrophobicContact CB-CE1 3.9Å; M1-E83 WeakPolarHBondContact CA-OE1 2.77Å; M1-E83 WeakPolarHBondContact CB-OE1 3.44Å; M1-E83 PolarHBondContact N-OE1 2.9Å; M1-E83 PolarHBondContact N-OE2 3.21Å
2F95.5Very high95.8Very high117 Ų11776.4 Ų76.451%0.51337%0.371SS..EExtended strand (participates in β ladder)trans-89.4137.3173.1-68-87.2000111.3I46 I75 V76 F77F2-I46 HydrophobicContact CD1-CG1 4.4Å; F2-I46 HydrophobicContact CE1-CD1 4.44Å; F2-I46 HydrophobicContact CE1-CG1 4.13Å; F2-I75 HydrophobicContact CD1-CG2 4.15Å; F2-V76 CarbonylContact C-O 3.52Å; F2-V76 VanDerWaalsContact CA-O 3.31Å; F2-V76 WeakPolarHBondContact CA-O 3.19Å; F2-F77 HydrophobicContact CD1-CB 3.91Å; F2-F77 AromaticContact CD1-CD2 3.98Å; F2-F77 HydrophobicContact CD1-CD2 3.98Å; F2-F77 HydrophobicContact CD1-CG 4.4Å; F2-F77 AromaticContact CD2-CD2 3.94Å; F2-F77 HydrophobicContact CD2-CD2 3.94Å; F2-F77 HydrophobicContact CD2-CE2 4.41Å; F2-F77 HydrophobicContact CE1-CB 3.74Å; F2-F77 AromaticContact CE1-CD2 3.81Å; F2-F77 HydrophobicContact CE1-CD2 3.81Å; F2-F77 HydrophobicContact CE1-CG 4.07Å; F2-F77 AromaticContact CE2-CD2 3.75Å; F2-F77 HydrophobicContact CE2-CD2 3.75Å; F2-F77 HydrophobicContact CE2-CE2 4.08Å; F2-F77 HydrophobicContact CG-CD2 4.05Å; F2-F77 HydrophobicContact CZ-CB 4.38Å; F2-F77 AromaticContact CZ-CD2 3.68Å; F2-F77 HydrophobicContact CZ-CD2 3.68Å; F2-F77 HydrophobicContact CZ-CE2 4.29Å; F2-F77 HydrophobicContact CZ-CG 4.23Å
3Y96.5Very high95.7Very high103 Ų10371.1 Ų71.140%0.40435%0.345SS..EExtended strand (participates in β ladder)trans-130.4148179.7-60.9-86.8000110.7M1 I75 V76 R78M1-Y3 HydrophobicContact CB-CD2 4.46Å; M1-Y3 HydrophobicContact CB-CE2 3.61Å; M1-Y3 HydrophobicContact CG-CD2 4.48Å; M1-Y3 HydrophobicContact CG-CE1 4.13Å; M1-Y3 HydrophobicContact CG-CE2 3.86Å; M1-Y3 WeakPolarHBondContact O-CD2 3.43Å; M1-Y3 WeakPolarHBondContact O-CE2 3.01Å; Y3-I75 CarbonylContact O-C 3.58Å; Y3-I75 WeakPolarHBondContact O-CA 3.36Å; Y3-V76 HydrophobicContact CD2-CG2 4.49Å; Y3-V76 PolarHBondContact N-O 3.19Å; Y3-V76 PolarHBondContact O-N 3.49Å; Y3-R78 HydrophobicContact CD2-CB 4.07Å; Y3-R78 HydrophobicContact CE2-CB 3.98Å
4H97Very high95.6Very high112 Ų11271.1 Ų71.152%0.51934%0.344SS..EExtended strand (participates in β ladder)trans-103.8114.5166.6-172.7-135.9000108.8T49 A74H4-T49 PolarHBondContact NE2-OG1 2.94Å; H4-A74 WeakPolarHBondContact CA-O 3.29Å; H4-A74 PolarHBondContact CD2-O 2.87Å
5M95.6Very high95.4Very high53 Ų5369.9 Ų69.926%0.26134%0.344SS..EExtended strand (participates in β ladder)trans-139.6148.2-171.744.9-175.4-93.700113.3L7 C42 K73 A74 V76M5-L7 HydrophobicContact CE-CD1 4.18Å; M5-L7 HydrophobicContact CE-CD2 3.31Å; M5-L7 HydrophobicContact CE-CG 3.83Å; M5-C42 HydrophobicContact CE-CB 3.91Å; M5-K73 WeakPolarHBondContact O-CA 3.34Å; M5-A74 PolarHBondContact N-O 3.26Å; M5-A74 PolarHBondContact O-N 3.05Å; M5-V76 HydrophobicContact CE-CG1 4.32Å; M5-V76 HydrophobicContact CE-CG2 4.32Å; M5-V76 HydrophobicContact CG-CB 4.4Å; M5-V76 HydrophobicContact CG-CG1 3.84Å; M5-V76 HydrophobicContact CG-CG2 3.65Å; M5-V76 HydrophobicContact SD-CB 4.29Å; M5-V76 HydrophobicContact SD-CG1 4.07Å; M5-V76 HydrophobicContact SD-CG2 3.24Å; M5-V76 WeakPolarHBondContact SD-CG2 3.41Å
6S96.7Very high95.3Very high68 Ų6878.9 Ų78.948%0.47637%0.373SS..EExtended strand (participates in β ladder)trans-80.6131170.2-690000110.1E52 Y72S6-E52 PolarHBondContact OG-OE2 2.99Å; S6-Y72 CarbonylContact C-O 3.57Å; S6-Y72 WeakPolarHBondContact CA-O 3.37Å
7L96.7Very high95Very high20 Ų2081.8 Ų81.811%0.10538%0.381CS..EExtended strand (participates in β ladder)trans-128.6160.6-178.8-73.7177.6000110.2M5 C42 I45 K71 Y72 A74 V76M5-L7 HydrophobicContact CE-CD1 4.18Å; M5-L7 HydrophobicContact CE-CD2 3.31Å; M5-L7 HydrophobicContact CE-CG 3.83Å; L7-C42 HydrophobicContact CD2-CB 4.38Å; L7-I45 HydrophobicContact CD1-CD1 3.9Å; L7-I45 HydrophobicContact CD1-CG1 4.26Å; L7-K71 WeakPolarHBondContact O-CA 3.46Å; L7-Y72 HydrophobicContact CB-CD1 4.29Å; L7-Y72 HydrophobicContact CB-CD2 4.43Å; L7-Y72 HydrophobicContact CB-CE1 3.71Å; L7-Y72 HydrophobicContact CB-CE2 3.9Å; L7-Y72 HydrophobicContact CD1-CE2 4.08Å; L7-Y72 PolarHBondContact N-O 2.98Å; L7-Y72 WeakPolarHBondContact O-CD1 3.42Å; L7-Y72 PolarHBondContact O-N 2.77Å; L7-A74 HydrophobicContact CD1-CB 4.25Å; L7-V76 HydrophobicContact CD1-CG1 4.13Å
8E95.8Very high94.8Very high134 Ų13482.3 Ų82.363%0.62638%0.382SS*.EExtended strand (participates in β ladder)trans-123.3137.2177-53.9-168.5164.400109.1V70 K71E8-V70 WeakPolarHBondContact CA-O 3.24Å; E8-K71 HydrophobicContact CG-CD 4.37Å; E8-K71 HydrophobicContact CG-CG 4.1Å; E8-K71 WeakPolarHBondContact OE1-CD 3.45Å; E8-K71 WeakPolarHBondContact OE1-CE 3.28Å; E8-K71 IonicContact OE1-NZ 2.67Å; E8-K71 PolarHBondContact OE1-NZ 2.84Å
9H96.3Very high94.5Very high60 Ų6079.9 Ų79.928%0.27838%0.382SS..EExtended strand (participates in β ladder)trans-146.5144.4175.3-175.667.3000110.3L30 E33 V34 V70 Y72H9-L30 HydrophobicContact CB-CD1 3.84Å; H9-E33 IonicContact CD2-OE2 3.65Å; H9-E33 IonicContact CE1-OE2 3.28Å; H9-E33 IonicContact NE2-OE2 2.74Å; H9-E33 PolarHBondContact NE2-OE2 2.95Å; H9-V34 HydrophobicContact CB-CG1 4.06Å; H9-V70 PolarHBondContact N-O 2.93Å; H9-V70 PolarHBondContact O-N 3.46Å; H9-Y72 HydrophobicContact CB-CE1 3.71Å
10E96.4Very high94.3Very high106 Ų10682.7 Ų82.750%0.49541%0.406SS..EExtended strand (participates in β ladder)trans-97.1113178.1-70.2-169.1154.600110.2I67E10-I67 HydrophobicContact CB-CG2 3.77Å; E10-I67 HydrophobicContact CG-CG2 4.11Å
11V96.6Very high94.2Very high0 Ų083.4 Ų83.40%041%0.412CS..EExtended strand (participates in β ladder)trans-91.6117.7178.1-179.20000109.6M13 V26 K29 L30 Y68 V70V11-M13 HydrophobicContact CG1-CG 4.11Å; V11-M13 HydrophobicContact CG1-SD 4.18Å; V11-V26 HydrophobicContact CB-CG1 4.3Å; V11-V26 HydrophobicContact CG1-CG1 4.31Å; V11-V26 HydrophobicContact CG2-CG1 4.43Å; V11-K29 HydrophobicContact CG1-CB 3.81Å; V11-K29 HydrophobicContact CG1-CG 3.58Å; V11-L30 HydrophobicContact CG2-CB 3.95Å; V11-L30 HydrophobicContact CG2-CD1 4.08Å; V11-Y68 PolarHBondContact N-O 2.67Å; V11-Y68 PolarHBondContact O-N 2.81Å; V11-V70 HydrophobicContact CB-CG2 4.42Å; V11-V70 HydrophobicContact CG2-CG2 3.87Å
12V95.6Very high94.2Very high56 Ų5681.4 Ų81.434%0.33940%0.403SS..EExtended strand (participates in β ladder)trans-92.4123.7178.4-173.50000110.1Y65 I67V12-Y65 HydrophobicContact CG1-CD1 3.7Å; V12-Y65 HydrophobicContact CG1-CG 4.22Å; V12-I67 HydrophobicContact CG2-CG1 4.22Å
13M94.8Very high93.9Very high7 Ų779.8 Ų79.83%0.03441%0.406CS..EExtended strand (participates in β ladder)trans-122.2132.9-175.6-70.8-65-69.500112.1V11 Y17 F18 L22 L25 V26 K29 V66 Y68V11-M13 HydrophobicContact CG1-CG 4.11Å; V11-M13 HydrophobicContact CG1-SD 4.18Å; M13-Y17 HydrophobicContact CE-CD2 4.25Å; M13-Y17 HydrophobicContact CE-CG 4.16Å; M13-F18 HydrophobicContact CB-CE1 4.14Å; M13-L22 HydrophobicContact CE-CD1 4.48Å; M13-L25 HydrophobicContact CE-CB 3.99Å; M13-V26 HydrophobicContact CG-CG2 4.03Å; M13-K29 HydrophobicContact SD-CB 4.2Å; M13-K29 HydrophobicContact SD-CG 4.14Å; M13-V66 PolarHBondContact N-O 2.9Å; M13-V66 PolarHBondContact O-N 3.4Å; M13-Y68 HydrophobicContact CB-CD2 4.2Å; M13-Y68 HydrophobicContact CB-CE2 3.91Å; M13-Y68 HydrophobicContact CG-CD2 3.91Å; M13-Y68 HydrophobicContact CG-CE2 3.97Å
14H94.3Very high93.8Very high71 Ų7182.1 Ų82.133%0.32942%0.418SS..  trans-80.1140.7172.1-175.1-92000111R16 Y17 Y65H14-R16 WeakPolarHBondContact ND1-CB 3.41Å; H14-R16 PolarHBondContact ND1-N 2.91Å; H14-R16 PolarHBondContact O-N 2.81Å; H14-Y17 HydrophobicContact CB-CD2 3.89Å; H14-Y17 HydrophobicContact CB-CE2 3.94Å; H14-Y17 WeakPolarHBondContact O-CD2 3.35Å; H14-Y17 PolarHBondContact O-N 3.06Å; H14-Y65 HydrophobicContact CB-CD1 4.11Å; H14-Y65 HydrophobicContact CB-CE1 3.67Å; H14-Y65 AromaticContact CD2-CE1 3.92Å; H14-Y65 AromaticContact CD2-CE2 3.86Å; H14-Y65 AromaticContact CD2-CZ 3.54Å
15P92.7Very high93.6Very high54 Ų5479.7 Ų79.735%0.35141%0.409SS..G310 helixtrans-55.4-26.4-178.6-30.837.4000115.4Y17 F18 G64P15-Y17 PolarHBondContact O-N 3Å; P15-F18 VanDerWaalsContact O-CB 3.22Å; P15-F18 WeakPolarHBondContact O-CB 3.34Å; P15-F18 PolarHBondContact O-N 2.84Å; P15-G64 WeakPolarHBondContact CD-O 3.31Å; P15-G64 WeakPolarHBondContact CG-O 3.47Å
16R93.3Very high93.6Very high213 Ų21377.3 Ų77.380%0.80440%0.397SS*.G310 helixtrans-55-25.5174.5-174.7176.8178.3178.70.8113.3H14 F18H14-R16 WeakPolarHBondContact ND1-CB 3.41Å; H14-R16 PolarHBondContact ND1-N 2.91Å; H14-R16 PolarHBondContact O-N 2.81Å; R16-F18 VanDerWaalsContact C-N 3.34Å
17Y91.1Very high93.5Very high129 Ų12978.4 Ų78.451%0.50639%0.394SS..G310 helixtrans-91.54.4179.2-57.4-63.1000113.3M13 H14 P15 G19 L25M13-Y17 HydrophobicContact CE-CD2 4.25Å; M13-Y17 HydrophobicContact CE-CG 4.16Å; H14-Y17 HydrophobicContact CB-CD2 3.89Å; H14-Y17 HydrophobicContact CB-CE2 3.94Å; H14-Y17 WeakPolarHBondContact O-CD2 3.35Å; H14-Y17 PolarHBondContact O-N 3.06Å; P15-Y17 PolarHBondContact O-N 3Å; Y17-G19 PolarHBondContact O-N 3.48Å; Y17-G19 VanDerWaalsContact O-N 3.09Å; Y17-L25 WeakPolarHBondContact O-CD1 3.49Å
18F90.6Very high93.4Very high90 Ų9084.3 Ų84.340%0.39542%0.418SS..  trans-79.896.6179.5-73.111.9000109.4M13 P15 R16 L22 V66 Y68M13-F18 HydrophobicContact CB-CE1 4.14Å; P15-F18 VanDerWaalsContact O-CB 3.22Å; P15-F18 WeakPolarHBondContact O-CB 3.34Å; P15-F18 PolarHBondContact O-N 2.84Å; R16-F18 VanDerWaalsContact C-N 3.34Å; F18-L22 HydrophobicContact CD1-CD1 3.76Å; F18-L22 HydrophobicContact CE1-CD1 3.91Å; F18-V66 HydrophobicContact CE1-CB 4.41Å; F18-V66 HydrophobicContact CE1-CG2 4.46Å; F18-V66 HydrophobicContact CE2-CB 4.49Å; F18-V66 HydrophobicContact CE2-CG2 3.8Å; F18-V66 HydrophobicContact CZ-CB 3.61Å; F18-V66 HydrophobicContact CZ-CG1 4.16Å; F18-V66 HydrophobicContact CZ-CG2 3.37Å; F18-Y68 HydrophobicContact CE1-CE2 4.3Å; F18-Y68 HydrophobicContact CZ-CE2 4.4Å; F18-Y68 WeakPolarHBondContact CZ-OH 3.1Å
19G89.6Confident93.4Very high38 Ų3881.8 Ų81.839%0.39241%0.405SS..SBendtrans-147.3-171.3177.400000110.9Y17 N21 L22Y17-G19 PolarHBondContact O-N 3.48Å; Y17-G19 VanDerWaalsContact O-N 3.09Å; G19-N21 PolarHBondContact O-N 3.31Å; G19-L22 WeakPolarHBondContact O-CB 3.4Å; G19-L22 PolarHBondContact O-N 2.8Å
20P90.4Very high93.4Very high134 Ų13478.9 Ų78.987%0.8739%0.392SS*.THydrogen-bonded Turntrans-59.6-20.7-175.723.8-34.2000113.5
21N91.8Very high93.4Very high99 Ų9977.3 Ų77.353%0.52938%0.384SS..THydrogen-bonded Turntrans-99.217.4-178.6-65.6-39.3000114G19 S23 K24 L25G19-N21 PolarHBondContact O-N 3.31Å; N21-S23 VanDerWaalsContact C-N 3.33Å; N21-S23 PolarHBondContact O-N 2.82Å; N21-K24 WeakPolarHBondContact O-CB 3.41Å; N21-K24 PolarHBondContact O-N 2.79Å; N21-L25 WeakPolarHBondContact O-CG 3.46Å; N21-L25 PolarHBondContact O-N 3.34Å
22L90.7Very high93.4Very high46 Ų4682.3 Ų82.324%0.24141%0.414CS..Hα-helixtrans-50.2-49.3-175.4175.861.9000112.8M13 F18 G19 K24 L25 V26 Y68M13-L22 HydrophobicContact CE-CD1 4.48Å; F18-L22 HydrophobicContact CD1-CD1 3.76Å; F18-L22 HydrophobicContact CE1-CD1 3.91Å; G19-L22 WeakPolarHBondContact O-CB 3.4Å; G19-L22 PolarHBondContact O-N 2.8Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 2.91Å; L22-L25 PolarHBondContact O-N 2.88Å; L22-L25 VanDerWaalsContact O-N 3.14Å; L22-V26 HydrophobicContact CD1-CG2 4.17Å; L22-V26 WeakPolarHBondContact O-CG2 3.47Å; L22-V26 PolarHBondContact O-N 2.88Å; L22-Y68 WeakPolarHBondContact CD2-OH 3.37Å
23S89.9Confident93.4Very high82 Ų8282.3 Ų82.357%0.57341%0.41SS*.Hα-helixtrans-60.5-40.3179.757.60000112.6N21 K27N21-S23 VanDerWaalsContact C-N 3.33Å; N21-S23 PolarHBondContact O-N 2.82Å; S23-K27 WeakPolarHBondContact O-CG 3.39Å; S23-K27 PolarHBondContact O-N 3.12Å; S23-K27 VanDerWaalsContact O-N 3.12Å
24K93.2Very high93.5Very high152 Ų15282.1 Ų82.166%0.66141%0.41SS*.Hα-helixtrans-67.4-39.3176.2-170.3176.9-177.6176.90111.4N21 L22 K27 K28N21-K24 WeakPolarHBondContact O-CB 3.41Å; N21-K24 PolarHBondContact O-N 2.79Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 2.91Å; K24-K27 PolarHBondContact O-N 2.95Å; K24-K28 WeakPolarHBondContact O-CB 3.42Å; K24-K28 PolarHBondContact O-N 2.83Å
25L94.5Very high93.6Very high62 Ų6282.5 Ų82.533%0.32541%0.412SS..Hα-helixtrans-67.7-41.4177.3-70.5172.6000111.9M13 Y17 N21 L22 K28 K29M13-L25 HydrophobicContact CE-CB 3.99Å; Y17-L25 WeakPolarHBondContact O-CD1 3.49Å; N21-L25 WeakPolarHBondContact O-CG 3.46Å; N21-L25 PolarHBondContact O-N 3.34Å; L22-L25 PolarHBondContact O-N 2.88Å; L22-L25 VanDerWaalsContact O-N 3.14Å; L25-K28 PolarHBondContact O-N 3.05Å; L25-K29 VanDerWaalsContact O-CB 3.26Å; L25-K29 WeakPolarHBondContact O-CB 3.38Å; L25-K29 PolarHBondContact O-N 3.14Å
26V94.3Very high93.7Very high3 Ų383.2 Ų83.22%0.01843%0.429CS..Hα-helixtrans-59.5-47174.11710000110.6V11 M13 L22 K29 L30 Y68 V70V11-V26 HydrophobicContact CB-CG1 4.3Å; V11-V26 HydrophobicContact CG1-CG1 4.31Å; V11-V26 HydrophobicContact CG2-CG1 4.43Å; M13-V26 HydrophobicContact CG-CG2 4.03Å; L22-V26 HydrophobicContact CD1-CG2 4.17Å; L22-V26 WeakPolarHBondContact O-CG2 3.47Å; L22-V26 PolarHBondContact O-N 2.88Å; V26-K29 PolarHBondContact O-N 3.48Å; V26-L30 PolarHBondContact O-N 2.91Å; V26-Y68 HydrophobicContact CG2-CD1 4.45Å; V26-Y68 HydrophobicContact CG2-CD2 4.06Å; V26-Y68 HydrophobicContact CG2-CE2 4.3Å; V26-Y68 HydrophobicContact CG2-CG 4.16Å; V26-V70 HydrophobicContact CG1-CG2 3.95Å
27K94.3Very high93.7Very high91 Ų9175.9 Ų75.940%0.39641%0.408SS..Hα-helixtrans-61.3-45.9176.1-70.7-178.4-179.8-173.70112.3S23 K24 K29 L30 F31 V51S23-K27 WeakPolarHBondContact O-CG 3.39Å; S23-K27 PolarHBondContact O-N 3.12Å; S23-K27 VanDerWaalsContact O-N 3.12Å; K24-K27 PolarHBondContact O-N 2.95Å; K27-K29 VanDerWaalsContact C-N 3.29Å; K27-K29 PolarHBondContact O-N 3.36Å; K27-L30 WeakPolarHBondContact O-CB 3.35Å; K27-L30 PolarHBondContact O-N 3.09Å; K27-F31 HydrophobicContact CB-CZ 4.27Å; K27-F31 WeakPolarHBondContact O-CD1 3.49Å; K27-F31 WeakPolarHBondContact O-CD2 3.24Å; K27-F31 WeakPolarHBondContact O-CG 3.22Å; K27-F31 PolarHBondContact O-N 2.92Å; K27-V51 HydrophobicContact CD-CG2 4.27Å; K27-V51 HydrophobicContact CG-CG2 3.95Å
28K95.1Very high93.8Very high143 Ų14370.3 Ų70.362%0.62239%0.387SS*.Hα-helixtrans-60-43.4177.2-174.8178.3-179.7-179.50111.2K24 L25 F31 T32K24-K28 WeakPolarHBondContact O-CB 3.42Å; K24-K28 PolarHBondContact O-N 2.83Å; L25-K28 PolarHBondContact O-N 3.05Å; K28-F31 PolarHBondContact O-N 3.45Å; K28-T32 PolarHBondContact O-N 2.82Å; K28-T32 VanDerWaalsContact O-N 3.1Å; K28-T32 PolarHBondContact O-OG1 2.87Å
29K96.1Very high93.7Very high81 Ų8168.4 Ų68.435%0.35239%0.385SS..Hα-helixtrans-64.9-42.7179.2-172.362.4170.1131.30111.4V11 M13 L25 V26 K27 T32 E33V11-K29 HydrophobicContact CG1-CB 3.81Å; V11-K29 HydrophobicContact CG1-CG 3.58Å; M13-K29 HydrophobicContact SD-CB 4.2Å; M13-K29 HydrophobicContact SD-CG 4.14Å; L25-K29 VanDerWaalsContact O-CB 3.26Å; L25-K29 WeakPolarHBondContact O-CB 3.38Å; L25-K29 PolarHBondContact O-N 3.14Å; V26-K29 PolarHBondContact O-N 3.48Å; K27-K29 VanDerWaalsContact C-N 3.29Å; K27-K29 PolarHBondContact O-N 3.36Å; K29-T32 PolarHBondContact O-N 2.85Å; K29-E33 HydrophobicContact CD-CG 4.44Å; K29-E33 WeakPolarHBondContact CE-OE1 3.02Å; K29-E33 IonicContact NZ-OE1 2.87Å; K29-E33 PolarHBondContact NZ-OE1 2.85Å; K29-E33 WeakPolarHBondContact O-CB 3.41Å; K29-E33 WeakPolarHBondContact O-CG 3.46Å; K29-E33 PolarHBondContact O-N 2.89Å
30L96.7Very high93.4Very high0 Ų068.6 Ų68.60%039%0.387CS..Hα-helixtrans-52.9-55.6171.1176.673.3000110.8H9 V11 V26 K27 T32 E33 V34 V51 V70 Y72H9-L30 HydrophobicContact CB-CD1 3.84Å; V11-L30 HydrophobicContact CG2-CB 3.95Å; V11-L30 HydrophobicContact CG2-CD1 4.08Å; V26-L30 PolarHBondContact O-N 2.91Å; K27-L30 WeakPolarHBondContact O-CB 3.35Å; K27-L30 PolarHBondContact O-N 3.09Å; L30-T32 VanDerWaalsContact C-N 3.28Å; L30-T32 PolarHBondContact O-N 2.92Å; L30-E33 PolarHBondContact O-N 3.06Å; L30-V34 HydrophobicContact CD1-CG1 3.81Å; L30-V34 HydrophobicContact CD1-CG2 4.32Å; L30-V34 HydrophobicContact CG-CG2 4.28Å; L30-V34 WeakPolarHBondContact O-CG2 3.32Å; L30-V34 PolarHBondContact O-N 2.99Å; L30-V51 HydrophobicContact CD2-CG2 3.9Å; L30-V70 HydrophobicContact CD2-CG1 3.88Å; L30-Y72 HydrophobicContact CD1-CD1 3.94Å; L30-Y72 HydrophobicContact CD1-CE1 3.95Å; L30-Y72 HydrophobicContact CD2-CD1 4.06Å; L30-Y72 HydrophobicContact CD2-CG 3.92Å
31F96.7Very high93.3Very high73 Ų7370.3 Ų70.332%0.3238%0.381SS..Hα-helixtrans-56.4-45.3-177-56.7-20.2000111.5K27 K28 E33 E35 V48 V51K27-F31 HydrophobicContact CB-CZ 4.27Å; K27-F31 WeakPolarHBondContact O-CD1 3.49Å; K27-F31 WeakPolarHBondContact O-CD2 3.24Å; K27-F31 WeakPolarHBondContact O-CG 3.22Å; K27-F31 PolarHBondContact O-N 2.92Å; K28-F31 PolarHBondContact O-N 3.45Å; F31-E33 VanDerWaalsContact C-N 3.27Å; F31-E33 PolarHBondContact O-N 2.77Å; F31-E35 VanDerWaalsContact O-CB 3.29Å; F31-E35 WeakPolarHBondContact O-CB 3.4Å; F31-E35 WeakPolarHBondContact O-CG 3.5Å; F31-E35 PolarHBondContact O-N 3.35Å; F31-V48 HydrophobicContact CD1-CB 3.77Å; F31-V48 HydrophobicContact CD1-CG1 3.94Å; F31-V48 HydrophobicContact CD1-CG2 4.01Å; F31-V48 HydrophobicContact CE1-CB 3.86Å; F31-V48 HydrophobicContact CE1-CG1 3.56Å; F31-V48 HydrophobicContact CE1-CG2 4.49Å; F31-V51 HydrophobicContact CE1-CG2 4.16Å
32T96.5Very high93.2Very high104 Ų10466.6 Ų66.664%0.63836%0.363SS*.Hα-helixtrans-65-29178.6-51.80000113.4K28 K29 L30K28-T32 PolarHBondContact O-N 2.82Å; K28-T32 VanDerWaalsContact O-N 3.1Å; K28-T32 PolarHBondContact O-OG1 2.87Å; K29-T32 PolarHBondContact O-N 2.85Å; L30-T32 VanDerWaalsContact C-N 3.28Å; L30-T32 PolarHBondContact O-N 2.92Å
33E95.8Very high93.4Very high56 Ų5664.4 Ų64.426%0.26235%0.351SS..Hα-helixtrans-88.4-28.5-177.4-74.5-177.9176.800113.8H9 K29 L30 F31 T37H9-E33 IonicContact CD2-OE2 3.65Å; H9-E33 IonicContact CE1-OE2 3.28Å; H9-E33 IonicContact NE2-OE2 2.74Å; H9-E33 PolarHBondContact NE2-OE2 2.95Å; K29-E33 HydrophobicContact CD-CG 4.44Å; K29-E33 WeakPolarHBondContact CE-OE1 3.02Å; K29-E33 IonicContact NZ-OE1 2.87Å; K29-E33 PolarHBondContact NZ-OE1 2.85Å; K29-E33 WeakPolarHBondContact O-CB 3.41Å; K29-E33 WeakPolarHBondContact O-CG 3.46Å; K29-E33 PolarHBondContact O-N 2.89Å; L30-E33 PolarHBondContact O-N 3.06Å; F31-E33 VanDerWaalsContact C-N 3.27Å; F31-E33 PolarHBondContact O-N 2.77Å; E33-T37 WeakPolarHBondContact O-CG2 3.25Å
34V96Very high93.7Very high4 Ų461.1 Ų61.12%0.02433%0.327CS..Hα-helixtrans-108.9-32.5-172.2-51.80000113.8H9 L30 G36 T37 I45 V48 Y72H9-V34 HydrophobicContact CB-CG1 4.06Å; L30-V34 HydrophobicContact CD1-CG1 3.81Å; L30-V34 HydrophobicContact CD1-CG2 4.32Å; L30-V34 HydrophobicContact CG-CG2 4.28Å; L30-V34 WeakPolarHBondContact O-CG2 3.32Å; L30-V34 PolarHBondContact O-N 2.99Å; V34-G36 PolarHBondContact O-N 3.15Å; V34-T37 WeakPolarHBondContact O-CB 3.34Å; V34-T37 PolarHBondContact O-N 2.81Å; V34-T37 PolarHBondContact O-OG1 3Å; V34-I45 HydrophobicContact CB-CD1 4.28Å; V34-I45 HydrophobicContact CG2-CG2 4.45Å; V34-I45 WeakPolarHBondContact O-CB 3.35Å; V34-I45 WeakPolarHBondContact O-CG2 3.06Å; V34-V48 HydrophobicContact CG2-CG2 3.46Å; V34-V48 VanDerWaalsContact CG2-CG2 3.46Å; V34-Y72 HydrophobicContact CG2-CE2 3.93Å
35E96.1Very high93.9Very high79 Ų7954.4 Ų54.437%0.36930%0.298SS..THydrogen-bonded Turntrans-68.9133.2-178.7-64-175.5151.700110.6F31 T37 V48F31-E35 VanDerWaalsContact O-CB 3.29Å; F31-E35 WeakPolarHBondContact O-CB 3.4Å; F31-E35 WeakPolarHBondContact O-CG 3.5Å; F31-E35 PolarHBondContact O-N 3.35Å; E35-T37 PolarHBondContact O-N 3.04Å; E35-V48 HydrophobicContact CG-CG2 3.89Å; E35-V48 PolarHBondContact OE1-N 3.09Å
36G94.4Very high94Very high69 Ų6954.8 Ų54.871%0.71130%0.299SS*.THydrogen-bonded Turntrans78.4-2.4-174.900000114.7V34 I45V34-G36 PolarHBondContact O-N 3.15Å; G36-I45 WeakPolarHBondContact CA-O 3.2Å; G36-I45 PolarHBondContact N-O 3.03Å
37T94.9Very high94.1Very high58 Ų5856.3 Ų56.336%0.35631%0.312SS..  trans-79.3157.9173.666.80000111.6E33 V34 E35 I45E33-T37 WeakPolarHBondContact O-CG2 3.25Å; V34-T37 WeakPolarHBondContact O-CB 3.34Å; V34-T37 PolarHBondContact O-N 2.81Å; V34-T37 PolarHBondContact O-OG1 3Å; E35-T37 PolarHBondContact O-N 3.04Å; T37-I45 PolarHBondContact O-N 2.99Å
38C93Very high94.2Very high12 Ų1252.8 Ų52.88%0.08130%0.299CS..EExtended strand (participates in β ladder)trans-126.1138.2173.9-168.80000110.1G43 F44 N155 I157C38-G43 WeakPolarHBondContact CA-O 3.24Å; C38-F44 HydrophobicContact CB-CD1 3.75Å; C38-F44 HydrophobicContact CB-CE1 4.05Å; C38-F44 HydrophobicContact CB-CG 4.36Å; C38-N155 VanDerWaalsContact CB-O 3.3Å; C38-N155 WeakPolarHBondContact CB-O 3.21Å; C38-I157 WeakPolarHBondContact SG-CD1 3.27Å; C38-I157 WeakPolarHBondContact SG-CG1 3.26Å
39S88.3Confident94.3Very high50 Ų5049.4 Ų49.435%0.3529%0.29SS..EExtended strand (participates in β ladder)trans-129.1135.9172.1175.10000108.9K41 C42 G43S39-K41 PolarHBondContact O-N 3.29Å; S39-K41 PolarHBondContact OG-N 3.01Å; S39-C42 PolarHBondContact O-N 3.32Å; S39-C42 VanDerWaalsContact O-N 3.1Å; S39-G43 PolarHBondContact N-O 3.41Å; S39-G43 WeakPolarHBondContact O-CA 3.44Å; S39-G43 PolarHBondContact O-N 2.87Å
40G83.5Confident94.3Very high42 Ų4247 Ų4743%0.43329%0.288SS..THydrogen-bonded Turntrans-54.6-25.5176.200000114.5
41K86.8Confident94.3Very high171 Ų17148.6 Ų48.674%0.74330%0.297SS*.THydrogen-bonded Turntrans-81.3-41.8178.4-168.7178.3179.9-176.80112.6S39S39-K41 PolarHBondContact O-N 3.29Å; S39-K41 PolarHBondContact OG-N 3.01Å
42C91Very high94.2Very high21 Ų2149.8 Ų49.814%0.14230%0.304CS..THydrogen-bonded Turntrans-100.1-21.8-169.6-50.20000113.1M5 L7 S39 V76M5-C42 HydrophobicContact CE-CB 3.91Å; L7-C42 HydrophobicContact CD2-CB 4.38Å; S39-C42 PolarHBondContact O-N 3.32Å; S39-C42 VanDerWaalsContact O-N 3.1Å; C42-V76 WeakPolarHBondContact O-CG2 3.39Å
43G93.9Very high94.1Very high0 Ų047.4 Ų47.40%029%0.292CS..EExtended strand (participates in β ladder)trans83.9-158.3-164.700000112C38 S39 F77C38-G43 WeakPolarHBondContact CA-O 3.24Å; S39-G43 PolarHBondContact N-O 3.41Å; S39-G43 WeakPolarHBondContact O-CA 3.44Å; S39-G43 PolarHBondContact O-N 2.87Å; G43-F77 CarbonylContact C-O 3.52Å; G43-F77 WeakPolarHBondContact CA-O 3.14Å
44F96.5Very high94Very high13 Ų1347.8 Ų47.86%0.05730%0.298CS..EExtended strand (participates in β ladder)trans-78.8126.6175.8-60.1-91.3000110.1C38 I46 V76 F77 P103 L104 D156 I157C38-F44 HydrophobicContact CB-CD1 3.75Å; C38-F44 HydrophobicContact CB-CE1 4.05Å; C38-F44 HydrophobicContact CB-CG 4.36Å; F44-I46 HydrophobicContact CB-CD1 4.02Å; F44-I46 PolarHBondContact O-N 3.29Å; F44-V76 CarbonylContact O-C 3.47Å; F44-V76 WeakPolarHBondContact O-CA 2.89Å; F44-V76 WeakPolarHBondContact O-CB 3.44Å; F44-F77 HydrophobicContact CB-CB 4.29Å; F44-F77 AromaticContact CD2-CD1 3.75Å; F44-F77 HydrophobicContact CD2-CD1 3.75Å; F44-F77 WeakPolarHBondContact CD2-O 3.42Å; F44-F77 HydrophobicContact CE2-CD1 4.24Å; F44-F77 PolarHBondContact N-O 2.99Å; F44-F77 PolarHBondContact O-N 3.46Å; F44-P103 HydrophobicContact CB-CG 3.9Å; F44-P103 HydrophobicContact CD1-CB 3.86Å; F44-P103 HydrophobicContact CD1-CG 3.96Å; F44-P103 HydrophobicContact CD2-CG 3.96Å; F44-P103 HydrophobicContact CE1-CB 4.12Å; F44-P103 HydrophobicContact CE1-CG 4.44Å; F44-P103 HydrophobicContact CE2-CG 4.43Å; F44-P103 HydrophobicContact CG-CB 4.12Å; F44-P103 HydrophobicContact CG-CG 3.68Å; F44-L104 HydrophobicContact CE2-CB 4.06Å; F44-L104 HydrophobicContact CE2-CD1 4.28Å; F44-L104 HydrophobicContact CZ-CB 4.4Å; F44-L104 HydrophobicContact CZ-CD1 4.5Å; F44-D156 WeakPolarHBondContact CE1-OD1 3.27Å; F44-D156 WeakPolarHBondContact CZ-OD1 3.21Å; F44-I157 HydrophobicContact CD2-CD1 4.46Å; F44-I157 HydrophobicContact CE2-CB 3.74Å; F44-I157 HydrophobicContact CE2-CD1 4.18Å; F44-I157 HydrophobicContact CE2-CG1 4.34Å; F44-I157 HydrophobicContact CZ-CB 3.73Å; F44-I157 HydrophobicContact CZ-CG1 4.44Å
45I96.6Very high93.8Very high11 Ų1149.1 Ų49.16%0.05631%0.312CS..EExtended strand (participates in β ladder)trans-84.6107173.2-58-177.4000107.8L7 V34 G36 T37 A74 V76L7-I45 HydrophobicContact CD1-CD1 3.9Å; L7-I45 HydrophobicContact CD1-CG1 4.26Å; V34-I45 HydrophobicContact CB-CD1 4.28Å; V34-I45 HydrophobicContact CG2-CG2 4.45Å; V34-I45 WeakPolarHBondContact O-CB 3.35Å; V34-I45 WeakPolarHBondContact O-CG2 3.06Å; G36-I45 WeakPolarHBondContact CA-O 3.2Å; G36-I45 PolarHBondContact N-O 3.03Å; T37-I45 PolarHBondContact O-N 2.99Å; I45-A74 HydrophobicContact CG2-CB 4.11Å; I45-V76 HydrophobicContact CG1-CG1 4.33Å
46I96.9Very high93.6Very high69 Ų6951.7 Ų51.735%0.35433%0.333SS..EExtended strand (participates in β ladder)trans-79.6-54.9-174.5-52.3-57.4000110.4F2 F44 I75 F77 P103F2-I46 HydrophobicContact CD1-CG1 4.4Å; F2-I46 HydrophobicContact CE1-CD1 4.44Å; F2-I46 HydrophobicContact CE1-CG1 4.13Å; F44-I46 HydrophobicContact CB-CD1 4.02Å; F44-I46 PolarHBondContact O-N 3.29Å; I46-I75 HydrophobicContact CB-CB 4.49Å; I46-I75 HydrophobicContact CB-CG2 4.22Å; I46-I75 WeakPolarHBondContact CB-O 3.49Å; I46-I75 HydrophobicContact CG1-CG2 4.34Å; I46-I75 PolarHBondContact N-O 2.68Å; I46-F77 HydrophobicContact CD1-CB 3.88Å; I46-F77 HydrophobicContact CG1-CB 4.13Å; I46-P103 HydrophobicContact CD1-CG 3.93Å
47A97.2Very high93.5Very high35 Ų3550.1 Ų50.129%0.28931%0.314SS..EExtended strand (participates in β ladder)trans-157.3144.1-177.800000111.3A74 I75A47-A74 CarbonylContact O-C 3.57Å; A47-A74 VanDerWaalsContact O-CA 3.25Å; A47-A74 WeakPolarHBondContact O-CA 3.48Å; A47-A74 WeakPolarHBondContact O-CB 3.37Å; A47-I75 PolarHBondContact N-O 3.22Å; A47-I75 PolarHBondContact O-N 3.04Å
48V97.1Very high93.5Very high18 Ų1851.9 Ų51.911%0.10932%0.317CS..EExtended strand (participates in β ladder)trans-81.4118.5171.4179.50000109.1F31 V34 E35 Y72F31-V48 HydrophobicContact CD1-CB 3.77Å; F31-V48 HydrophobicContact CD1-CG1 3.94Å; F31-V48 HydrophobicContact CD1-CG2 4.01Å; F31-V48 HydrophobicContact CE1-CB 3.86Å; F31-V48 HydrophobicContact CE1-CG1 3.56Å; F31-V48 HydrophobicContact CE1-CG2 4.49Å; V34-V48 HydrophobicContact CG2-CG2 3.46Å; V34-V48 VanDerWaalsContact CG2-CG2 3.46Å; E35-V48 HydrophobicContact CG-CG2 3.89Å; E35-V48 PolarHBondContact OE1-N 3.09Å; V48-Y72 HydrophobicContact CB-CD2 4.36Å; V48-Y72 HydrophobicContact CG1-CD2 3.81Å; V48-Y72 HydrophobicContact CG1-CG 4.38Å; V48-Y72 HydrophobicContact CG2-CD2 3.74Å; V48-Y72 HydrophobicContact CG2-CE2 3.83Å
49T97Very high93.5Very high71 Ų7157.2 Ų57.244%0.43634%0.343SS..EExtended strand (participates in β ladder)trans-84.5-28.6179.858.50000113.1H4 K73 I75H4-T49 PolarHBondContact NE2-OG1 2.94Å; T49-K73 PolarHBondContact N-O 3.1Å; T49-K73 VanDerWaalsContact OG1-C 3.29Å; T49-K73 VanDerWaalsContact OG1-CB 3.28Å; T49-K73 WeakPolarHBondContact OG1-CB 3.46Å; T49-K73 PolarHBondContact OG1-O 3.35Å; T49-I75 HydrophobicContact CG2-CD1 3.9Å; T49-I75 HydrophobicContact CG2-CG1 3.66Å
50G95.4Very high93.8Very high30 Ų3058.3 Ų58.331%0.30934%0.343SS..EExtended strand (participates in β ladder)trans-176.1152.1-177.600000112.5Y72 K73G50-Y72 CarbonylContact O-C 3.6Å; G50-Y72 WeakPolarHBondContact O-CA 3.4Å; G50-Y72 WeakPolarHBondContact O-CB 3.4Å; G50-K73 PolarHBondContact N-O 3.32Å; G50-K73 PolarHBondContact O-N 3.06Å
51V96Very high94.2Very high34 Ų3461.7 Ų61.721%0.20636%0.357CS..EExtended strand (participates in β ladder)trans-100.4117.1174.6176.50000107.7K27 L30 F31 V54 V70K27-V51 HydrophobicContact CD-CG2 4.27Å; K27-V51 HydrophobicContact CG-CG2 3.95Å; L30-V51 HydrophobicContact CD2-CG2 3.9Å; F31-V51 HydrophobicContact CE1-CG2 4.16Å; V51-V54 HydrophobicContact CG1-CG2 4.2Å; V51-V70 HydrophobicContact CG1-CG1 3.68Å
52E95.4Very high94.3Very high99 Ų9959.2 Ų59.246%0.46337%0.368SS..EExtended strand (participates in β ladder)trans-76.7-48.2-179-63.7-169.9116.300110.8S6 K71 K73S6-E52 PolarHBondContact OG-OE2 2.99Å; E52-K71 HydrophobicContact CB-CB 4.4Å; E52-K71 PolarHBondContact N-O 2.83Å; E52-K73 VanDerWaalsContact CD-CE 3.48Å; E52-K73 HydrophobicContact CG-CG 3.93Å; E52-K73 WeakPolarHBondContact OE1-CE 3.16Å; E52-K73 IonicContact OE1-NZ 3.61Å
53S94.5Very high94.3Very high54 Ų5461.2 Ų61.238%0.37838%0.382SS..EExtended strand (participates in β ladder)trans-155.7149.5179.563.10000112.4K71S53-K71 PolarHBondContact N-O 3.31Å; S53-K71 PolarHBondContact O-N 2.93Å
54V94Very high94.1Very high64 Ų6462.7 Ų62.739%0.38840%0.397SS..EExtended strand (participates in β ladder)trans-108.2111.3165.8-1790000105.6V51 Y68 V70V51-V54 HydrophobicContact CG1-CG2 4.2Å; V54-Y68 HydrophobicContact CG1-CD1 3.81Å; V54-Y68 HydrophobicContact CG1-CG 4.44Å; V54-V70 HydrophobicContact CG1-CG2 4.47Å; V54-V70 HydrophobicContact CG2-CG1 4.45Å; V54-V70 HydrophobicContact CG2-CG2 4.43Å
55G91.3Very high94Very high31 Ų3166.5 Ų66.532%0.3241%0.412SS..  trans-71.2175-178.400000112.6A57 P69G55-A57 PolarHBondContact O-N 2.66Å; G55-P69 PolarHBondContact N-O 3.18Å
56T92.5Very high93.9Very high133 Ų13366.3 Ų66.382%0.81641%0.412SS*.  trans-61.4121.9177.9-54.10000110
57A91.9Very high93.9Very high37 Ų3763.7 Ų63.731%0.30640%0.398SS..  trans-75.9148.4-178.100000111.2G55 V66 I67 Y68G55-A57 PolarHBondContact O-N 2.66Å; A57-V66 HydrophobicContact CB-CG1 3.55Å; A57-I67 VanDerWaalsContact CA-O 3.24Å; A57-I67 WeakPolarHBondContact CA-O 3.32Å; A57-Y68 HydrophobicContact CB-CD1 3.44Å; A57-Y68 VanDerWaalsContact CB-CD1 3.44Å; A57-Y68 HydrophobicContact CB-CD2 4.46Å; A57-Y68 HydrophobicContact CB-CE1 3.31Å; A57-Y68 HydrophobicContact CB-CE2 4.33Å; A57-Y68 HydrophobicContact CB-CG 4.04Å
58F94.1Very high93.8Very high94 Ų9463.3 Ų63.341%0.41239%0.389SS..EExtended strand (participates in β ladder)trans-126.7140.8175.255.5-84.6000111.1V66 I67F58-V66 WeakPolarHBondContact O-CA 3.44Å; F58-I67 HydrophobicContact CD1-CB 4.41Å; F58-I67 HydrophobicContact CD2-CB 4.16Å; F58-I67 HydrophobicContact CE1-CB 3.97Å; F58-I67 HydrophobicContact CE1-CG2 3.89Å; F58-I67 HydrophobicContact CE2-CB 3.73Å; F58-I67 HydrophobicContact CE2-CD1 3.69Å; F58-I67 HydrophobicContact CE2-CG1 4.08Å; F58-I67 HydrophobicContact CE2-CG2 4.13Å; F58-I67 HydrophobicContact CG-CB 4.49Å; F58-I67 HydrophobicContact CZ-CB 3.61Å; F58-I67 HydrophobicContact CZ-CD1 4.08Å; F58-I67 HydrophobicContact CZ-CG1 4.36Å; F58-I67 HydrophobicContact CZ-CG2 3.53Å; F58-I67 PolarHBondContact N-O 3.39Å; F58-I67 PolarHBondContact O-N 3.04Å
59I94.7Very high93.8Very high125 Ų12564.5 Ų64.564%0.64140%0.398SS*.EExtended strand (participates in β ladder)trans-83.3125.2-178.4-53.2177.1000108.1V66I59-V66 HydrophobicContact CG1-CG2 4.01Å; I59-V66 HydrophobicContact CG2-CG2 4.5Å
60Q93.1Very high93.8Very high73 Ų7361.3 Ų61.334%0.34138%0.378SS..PPolyproline II helixtrans-71.9128.3177.8-158.8168.40.700109.4G64 Y65 I67Q60-G64 PolarHBondContact O-N 2.78Å; Q60-Y65 WeakPolarHBondContact CB-O 3.41Å; Q60-Y65 PolarHBondContact N-O 2.9Å; Q60-I67 HydrophobicContact CG-CD1 4.41Å
61P91.7Very high93.9Very high112 Ų11264.4 Ų64.473%0.72738%0.383SS*.THydrogen-bonded Turntrans-58.3148.4-179.1-23.532.7000112.1C63P61-C63 PolarHBondContact O-N 3.1Å
62A90.4Very high94Very high119 Ų11963 Ų6398%0.98337%0.374SS*.THydrogen-bonded Turntrans67.5-27.6174.800000118
63C89.9Confident94.1Very high63 Ų6362 Ų6243%0.42637%0.368SS..THydrogen-bonded Turntrans-109.8-12.7-175.561.40000114.6P61 Y65P61-C63 PolarHBondContact O-N 3.1Å; C63-Y65 HydrophobicContact CB-CD2 3.86Å; C63-Y65 HydrophobicContact CB-CE2 4.45Å; C63-Y65 PolarHBondContact O-N 2.81Å; C63-Y65 VanDerWaalsContact O-N 3.15Å
64G89.4Confident94.2Very high32 Ų3259.5 Ų59.533%0.3335%0.35SS..  trans71.62177.800000114.8P15 Q60P15-G64 WeakPolarHBondContact CD-O 3.31Å; P15-G64 WeakPolarHBondContact CG-O 3.47Å; Q60-G64 PolarHBondContact O-N 2.78Å
65Y95Very high94.4Very high92 Ų9259.7 Ų59.736%0.36135%0.348SS..  trans-63.6154.3168.7-77.5-100.7000110.3V12 H14 Q60 C63V12-Y65 HydrophobicContact CG1-CD1 3.7Å; V12-Y65 HydrophobicContact CG1-CG 4.22Å; H14-Y65 HydrophobicContact CB-CD1 4.11Å; H14-Y65 HydrophobicContact CB-CE1 3.67Å; H14-Y65 AromaticContact CD2-CE1 3.92Å; H14-Y65 AromaticContact CD2-CE2 3.86Å; H14-Y65 AromaticContact CD2-CZ 3.54Å; Q60-Y65 WeakPolarHBondContact CB-O 3.41Å; Q60-Y65 PolarHBondContact N-O 2.9Å; C63-Y65 HydrophobicContact CB-CD2 3.86Å; C63-Y65 HydrophobicContact CB-CE2 4.45Å; C63-Y65 PolarHBondContact O-N 2.81Å; C63-Y65 VanDerWaalsContact O-N 3.15Å
66V95.6Very high94.7Very high8 Ų858.2 Ų58.25%0.04833%0.333CS..EExtended strand (participates in β ladder)trans-124.2131.7178.5-178.90000109.3M13 F18 A57 F58 I59 Y68M13-V66 PolarHBondContact N-O 2.9Å; M13-V66 PolarHBondContact O-N 3.4Å; F18-V66 HydrophobicContact CE1-CB 4.41Å; F18-V66 HydrophobicContact CE1-CG2 4.46Å; F18-V66 HydrophobicContact CE2-CB 4.49Å; F18-V66 HydrophobicContact CE2-CG2 3.8Å; F18-V66 HydrophobicContact CZ-CB 3.61Å; F18-V66 HydrophobicContact CZ-CG1 4.16Å; F18-V66 HydrophobicContact CZ-CG2 3.37Å; A57-V66 HydrophobicContact CB-CG1 3.55Å; F58-V66 WeakPolarHBondContact O-CA 3.44Å; I59-V66 HydrophobicContact CG1-CG2 4.01Å; I59-V66 HydrophobicContact CG2-CG2 4.5Å; V66-Y68 HydrophobicContact CB-CE2 3.99Å; V66-Y68 HydrophobicContact CG1-CD2 4.23Å; V66-Y68 HydrophobicContact CG1-CE2 3.59Å
67I95.8Very high94.9Very high14 Ų1452 Ų527%0.07230%0.295CS..EExtended strand (participates in β ladder)trans-101.2125.2-179-55.1-174000108.4E10 V12 A57 F58 Q60E10-I67 HydrophobicContact CB-CG2 3.77Å; E10-I67 HydrophobicContact CG-CG2 4.11Å; V12-I67 HydrophobicContact CG2-CG1 4.22Å; A57-I67 VanDerWaalsContact CA-O 3.24Å; A57-I67 WeakPolarHBondContact CA-O 3.32Å; F58-I67 HydrophobicContact CD1-CB 4.41Å; F58-I67 HydrophobicContact CD2-CB 4.16Å; F58-I67 HydrophobicContact CE1-CB 3.97Å; F58-I67 HydrophobicContact CE1-CG2 3.89Å; F58-I67 HydrophobicContact CE2-CB 3.73Å; F58-I67 HydrophobicContact CE2-CD1 3.69Å; F58-I67 HydrophobicContact CE2-CG1 4.08Å; F58-I67 HydrophobicContact CE2-CG2 4.13Å; F58-I67 HydrophobicContact CG-CB 4.49Å; F58-I67 HydrophobicContact CZ-CB 3.61Å; F58-I67 HydrophobicContact CZ-CD1 4.08Å; F58-I67 HydrophobicContact CZ-CG1 4.36Å; F58-I67 HydrophobicContact CZ-CG2 3.53Å; F58-I67 PolarHBondContact N-O 3.39Å; F58-I67 PolarHBondContact O-N 3.04Å; Q60-I67 HydrophobicContact CG-CD1 4.41Å
68Y95.9Very high95Very high26 Ų2656.5 Ų56.510%0.10230%0.304CS..EExtended strand (participates in β ladder)trans-107.9109.4175.4-66.7-93.2000108.5V11 M13 F18 L22 V26 V54 A57 V66 V70V11-Y68 PolarHBondContact N-O 2.67Å; V11-Y68 PolarHBondContact O-N 2.81Å; M13-Y68 HydrophobicContact CB-CD2 4.2Å; M13-Y68 HydrophobicContact CB-CE2 3.91Å; M13-Y68 HydrophobicContact CG-CD2 3.91Å; M13-Y68 HydrophobicContact CG-CE2 3.97Å; F18-Y68 HydrophobicContact CE1-CE2 4.3Å; F18-Y68 HydrophobicContact CZ-CE2 4.4Å; F18-Y68 WeakPolarHBondContact CZ-OH 3.1Å; L22-Y68 WeakPolarHBondContact CD2-OH 3.37Å; V26-Y68 HydrophobicContact CG2-CD1 4.45Å; V26-Y68 HydrophobicContact CG2-CD2 4.06Å; V26-Y68 HydrophobicContact CG2-CE2 4.3Å; V26-Y68 HydrophobicContact CG2-CG 4.16Å; V54-Y68 HydrophobicContact CG1-CD1 3.81Å; V54-Y68 HydrophobicContact CG1-CG 4.44Å; A57-Y68 HydrophobicContact CB-CD1 3.44Å; A57-Y68 VanDerWaalsContact CB-CD1 3.44Å; A57-Y68 HydrophobicContact CB-CD2 4.46Å; A57-Y68 HydrophobicContact CB-CE1 3.31Å; A57-Y68 HydrophobicContact CB-CE2 4.33Å; A57-Y68 HydrophobicContact CB-CG 4.04Å; V66-Y68 HydrophobicContact CB-CE2 3.99Å; V66-Y68 HydrophobicContact CG1-CD2 4.23Å; V66-Y68 HydrophobicContact CG1-CE2 3.59Å; Y68-V70 PolarHBondContact O-N 2.84Å
69P96.6Very high95.1Very high44 Ų4452.4 Ų52.429%0.28629%0.287SS..EExtended strand (participates in β ladder)trans-71.5119.6169.827.8-30.5000108.8G55G55-P69 PolarHBondContact N-O 3.18Å
70V97Very high95.1Very high3 Ų350.7 Ų50.72%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-116.1127.4-176.7-173.40000110.1E8 H9 V11 V26 L30 V51 V54 Y68E8-V70 WeakPolarHBondContact CA-O 3.24Å; H9-V70 PolarHBondContact N-O 2.93Å; H9-V70 PolarHBondContact O-N 3.46Å; V11-V70 HydrophobicContact CB-CG2 4.42Å; V11-V70 HydrophobicContact CG2-CG2 3.87Å; V26-V70 HydrophobicContact CG1-CG2 3.95Å; L30-V70 HydrophobicContact CD2-CG1 3.88Å; V51-V70 HydrophobicContact CG1-CG1 3.68Å; V54-V70 HydrophobicContact CG1-CG2 4.47Å; V54-V70 HydrophobicContact CG2-CG1 4.45Å; V54-V70 HydrophobicContact CG2-CG2 4.43Å; Y68-V70 PolarHBondContact O-N 2.84Å
71K97.3Very high95.2Very high96 Ų9651.7 Ų51.742%0.41729%0.286SS..EExtended strand (participates in β ladder)trans-98128.1168-55.3-159.2-172.6-1500109.4L7 E8 E52 S53L7-K71 WeakPolarHBondContact O-CA 3.46Å; E8-K71 HydrophobicContact CG-CD 4.37Å; E8-K71 HydrophobicContact CG-CG 4.1Å; E8-K71 WeakPolarHBondContact OE1-CD 3.45Å; E8-K71 WeakPolarHBondContact OE1-CE 3.28Å; E8-K71 IonicContact OE1-NZ 2.67Å; E8-K71 PolarHBondContact OE1-NZ 2.84Å; E52-K71 HydrophobicContact CB-CB 4.4Å; E52-K71 PolarHBondContact N-O 2.83Å; S53-K71 PolarHBondContact N-O 3.31Å; S53-K71 PolarHBondContact O-N 2.93Å
72Y97.7Very high95.4Very high5 Ų548.1 Ų48.12%0.0227%0.269CS..EExtended strand (participates in β ladder)trans-142.9155.1-175.767.8-80.6000111.1S6 L7 H9 L30 V34 V48 G50 A74S6-Y72 CarbonylContact C-O 3.57Å; S6-Y72 WeakPolarHBondContact CA-O 3.37Å; L7-Y72 HydrophobicContact CB-CD1 4.29Å; L7-Y72 HydrophobicContact CB-CD2 4.43Å; L7-Y72 HydrophobicContact CB-CE1 3.71Å; L7-Y72 HydrophobicContact CB-CE2 3.9Å; L7-Y72 HydrophobicContact CD1-CE2 4.08Å; L7-Y72 PolarHBondContact N-O 2.98Å; L7-Y72 WeakPolarHBondContact O-CD1 3.42Å; L7-Y72 PolarHBondContact O-N 2.77Å; H9-Y72 HydrophobicContact CB-CE1 3.71Å; L30-Y72 HydrophobicContact CD1-CD1 3.94Å; L30-Y72 HydrophobicContact CD1-CE1 3.95Å; L30-Y72 HydrophobicContact CD2-CD1 4.06Å; L30-Y72 HydrophobicContact CD2-CG 3.92Å; V34-Y72 HydrophobicContact CG2-CE2 3.93Å; V48-Y72 HydrophobicContact CB-CD2 4.36Å; V48-Y72 HydrophobicContact CG1-CD2 3.81Å; V48-Y72 HydrophobicContact CG1-CG 4.38Å; V48-Y72 HydrophobicContact CG2-CD2 3.74Å; V48-Y72 HydrophobicContact CG2-CE2 3.83Å; G50-Y72 CarbonylContact O-C 3.6Å; G50-Y72 WeakPolarHBondContact O-CA 3.4Å; G50-Y72 WeakPolarHBondContact O-CB 3.4Å; Y72-A74 HydrophobicContact CD2-CB 4.12Å; Y72-A74 HydrophobicContact CE2-CB 3.86Å
73K97.6Very high95.7Very high78 Ų7843 Ų4334%0.33923%0.225SC..EExtended strand (participates in β ladder)trans-99.2134.1171.4-64-168.9-174.6-173.30109.9M5 T49 G50 E52M5-K73 WeakPolarHBondContact O-CA 3.34Å; T49-K73 PolarHBondContact N-O 3.1Å; T49-K73 VanDerWaalsContact OG1-C 3.29Å; T49-K73 VanDerWaalsContact OG1-CB 3.28Å; T49-K73 WeakPolarHBondContact OG1-CB 3.46Å; T49-K73 PolarHBondContact OG1-O 3.35Å; G50-K73 PolarHBondContact N-O 3.32Å; G50-K73 PolarHBondContact O-N 3.06Å; E52-K73 VanDerWaalsContact CD-CE 3.48Å; E52-K73 HydrophobicContact CG-CG 3.93Å; E52-K73 WeakPolarHBondContact OE1-CE 3.16Å; E52-K73 IonicContact OE1-NZ 3.61Å
74A97.6Very high96.1Very high0 Ų043.6 Ų43.60%023%0.226CC..EExtended strand (participates in β ladder)trans-131152.6176.400000111.7H4 M5 L7 I45 A47 Y72 V76H4-A74 WeakPolarHBondContact CA-O 3.29Å; H4-A74 PolarHBondContact CD2-O 2.87Å; M5-A74 PolarHBondContact N-O 3.26Å; M5-A74 PolarHBondContact O-N 3.05Å; L7-A74 HydrophobicContact CD1-CB 4.25Å; I45-A74 HydrophobicContact CG2-CB 4.11Å; A47-A74 CarbonylContact O-C 3.57Å; A47-A74 VanDerWaalsContact O-CA 3.25Å; A47-A74 WeakPolarHBondContact O-CA 3.48Å; A47-A74 WeakPolarHBondContact O-CB 3.37Å; Y72-A74 HydrophobicContact CD2-CB 4.12Å; Y72-A74 HydrophobicContact CE2-CB 3.86Å; A74-V76 HydrophobicContact CB-CG1 4.3Å
75I97.9Very high96.4Very high68 Ų6842.7 Ų42.735%0.34922%0.215SC..EExtended strand (participates in β ladder)trans-80.8124.6159.6-65.4166.7000106.3F2 Y3 I46 A47 T49F2-I75 HydrophobicContact CD1-CG2 4.15Å; Y3-I75 CarbonylContact O-C 3.58Å; Y3-I75 WeakPolarHBondContact O-CA 3.36Å; I46-I75 HydrophobicContact CB-CB 4.49Å; I46-I75 HydrophobicContact CB-CG2 4.22Å; I46-I75 WeakPolarHBondContact CB-O 3.49Å; I46-I75 HydrophobicContact CG1-CG2 4.34Å; I46-I75 PolarHBondContact N-O 2.68Å; A47-I75 PolarHBondContact N-O 3.22Å; A47-I75 PolarHBondContact O-N 3.04Å; T49-I75 HydrophobicContact CG2-CD1 3.9Å; T49-I75 HydrophobicContact CG2-CG1 3.66Å
76V97.2Very high96.5Very high0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-121151.6174.4-50.20000110.4F2 Y3 M5 L7 C42 F44 I45 A74F2-V76 CarbonylContact C-O 3.52Å; F2-V76 VanDerWaalsContact CA-O 3.31Å; F2-V76 WeakPolarHBondContact CA-O 3.19Å; Y3-V76 HydrophobicContact CD2-CG2 4.49Å; Y3-V76 PolarHBondContact N-O 3.19Å; Y3-V76 PolarHBondContact O-N 3.49Å; M5-V76 HydrophobicContact CE-CG1 4.32Å; M5-V76 HydrophobicContact CE-CG2 4.32Å; M5-V76 HydrophobicContact CG-CB 4.4Å; M5-V76 HydrophobicContact CG-CG1 3.84Å; M5-V76 HydrophobicContact CG-CG2 3.65Å; M5-V76 HydrophobicContact SD-CB 4.29Å; M5-V76 HydrophobicContact SD-CG1 4.07Å; M5-V76 HydrophobicContact SD-CG2 3.24Å; M5-V76 WeakPolarHBondContact SD-CG2 3.41Å; L7-V76 HydrophobicContact CD1-CG1 4.13Å; C42-V76 WeakPolarHBondContact O-CG2 3.39Å; F44-V76 CarbonylContact O-C 3.47Å; F44-V76 WeakPolarHBondContact O-CA 2.89Å; F44-V76 WeakPolarHBondContact O-CB 3.44Å; I45-V76 HydrophobicContact CG1-CG1 4.33Å; A74-V76 HydrophobicContact CB-CG1 4.3Å
77F96.6Very high96.5Very high4 Ų441.9 Ų41.92%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-109115.2169179-110.4000109.3F2 G43 F44 I46 P79 I101 P103 L104F2-F77 HydrophobicContact CD1-CB 3.91Å; F2-F77 AromaticContact CD1-CD2 3.98Å; F2-F77 HydrophobicContact CD1-CD2 3.98Å; F2-F77 HydrophobicContact CD1-CG 4.4Å; F2-F77 AromaticContact CD2-CD2 3.94Å; F2-F77 HydrophobicContact CD2-CD2 3.94Å; F2-F77 HydrophobicContact CD2-CE2 4.41Å; F2-F77 HydrophobicContact CE1-CB 3.74Å; F2-F77 AromaticContact CE1-CD2 3.81Å; F2-F77 HydrophobicContact CE1-CD2 3.81Å; F2-F77 HydrophobicContact CE1-CG 4.07Å; F2-F77 AromaticContact CE2-CD2 3.75Å; F2-F77 HydrophobicContact CE2-CD2 3.75Å; F2-F77 HydrophobicContact CE2-CE2 4.08Å; F2-F77 HydrophobicContact CG-CD2 4.05Å; F2-F77 HydrophobicContact CZ-CB 4.38Å; F2-F77 AromaticContact CZ-CD2 3.68Å; F2-F77 HydrophobicContact CZ-CD2 3.68Å; F2-F77 HydrophobicContact CZ-CE2 4.29Å; F2-F77 HydrophobicContact CZ-CG 4.23Å; G43-F77 CarbonylContact C-O 3.52Å; G43-F77 WeakPolarHBondContact CA-O 3.14Å; F44-F77 HydrophobicContact CB-CB 4.29Å; F44-F77 AromaticContact CD2-CD1 3.75Å; F44-F77 HydrophobicContact CD2-CD1 3.75Å; F44-F77 WeakPolarHBondContact CD2-O 3.42Å; F44-F77 HydrophobicContact CE2-CD1 4.24Å; F44-F77 PolarHBondContact N-O 2.99Å; F44-F77 PolarHBondContact O-N 3.46Å; I46-F77 HydrophobicContact CD1-CB 3.88Å; I46-F77 HydrophobicContact CG1-CB 4.13Å; F77-P79 HydrophobicContact CE1-CB 4.44Å; F77-P79 HydrophobicContact CE1-CG 4.44Å; F77-P79 HydrophobicContact CZ-CB 4.49Å; F77-I101 HydrophobicContact CE2-CG2 4.48Å; F77-I101 HydrophobicContact CZ-CG2 3.79Å; F77-P103 HydrophobicContact CD1-CG 4Å; F77-L104 HydrophobicContact CD1-CB 4.39Å; F77-L104 HydrophobicContact CE1-CB 3.62Å; F77-L104 HydrophobicContact CE1-CD2 3.9Å; F77-L104 HydrophobicContact CE1-CG 4.4Å; F77-L104 HydrophobicContact CZ-CD2 4.25Å
78R94.8Very high96.6Very high130 Ų13045.2 Ų45.249%0.49124%0.236SC..  trans-124.2105.2178.2-173.1175.5-179.6-142.2-1109.4M1 Y3M1-R78 PolarHBondContact N-O 2.67Å; M1-R78 PolarHBondContact O-N 3.21Å; Y3-R78 HydrophobicContact CD2-CB 4.07Å; Y3-R78 HydrophobicContact CE2-CB 3.98Å
79P95Very high96.7Very high9 Ų944 Ų446%0.05823%0.231CC..  trans-70.9154.2174.529.3-34000111F77 E83 L104 I147 I150 I157F77-P79 HydrophobicContact CE1-CB 4.44Å; F77-P79 HydrophobicContact CE1-CG 4.44Å; F77-P79 HydrophobicContact CZ-CB 4.49Å; P79-E83 WeakPolarHBondContact CA-OE2 3.41Å; P79-L104 HydrophobicContact CB-CD2 3.72Å; P79-L104 HydrophobicContact CG-CD1 4.28Å; P79-L104 HydrophobicContact CG-CD2 3.88Å; P79-I147 HydrophobicContact CB-CD1 3.77Å; P79-I150 VanDerWaalsContact C-CD1 3.44Å; P79-I150 HydrophobicContact CB-CD1 3.94Å; P79-I150 HydrophobicContact CG-CD1 4.07Å; P79-I150 VanDerWaalsContact O-CD1 3.25Å; P79-I150 WeakPolarHBondContact O-CD1 3.35Å; P79-I157 HydrophobicContact CG-CG2 4.09Å
80F94.2Very high96.7Very high89 Ų8943.9 Ų43.939%0.3923%0.229SC..  trans-134.8156.6170.558.8-89.3000112M1 G82 E83 I150M1-F80 HydrophobicContact CB-CD1 4.44Å; M1-F80 HydrophobicContact CB-CE1 3.9Å; F80-G82 PolarHBondContact O-N 3.02Å; F80-E83 HydrophobicContact CD1-CB 4.12Å; F80-E83 HydrophobicContact CD1-CG 4.19Å; F80-E83 VanDerWaalsContact CD1-OE2 3.24Å; F80-E83 WeakPolarHBondContact CD1-OE2 3.37Å; F80-E83 HydrophobicContact CD2-CB 3.75Å; F80-E83 HydrophobicContact CD2-CG 4.48Å; F80-E83 HydrophobicContact CE1-CB 3.94Å; F80-E83 HydrophobicContact CE1-CG 3.63Å; F80-E83 WeakPolarHBondContact CE1-OE2 3.43Å; F80-E83 HydrophobicContact CE2-CB 3.54Å; F80-E83 HydrophobicContact CE2-CG 3.94Å; F80-E83 HydrophobicContact CG-CB 4.04Å; F80-E83 HydrophobicContact CZ-CB 3.64Å; F80-E83 HydrophobicContact CZ-CG 3.48Å; F80-E83 VanDerWaalsContact CZ-CG 3.48Å; F80-E83 PolarHBondContact N-OE2 2.84Å; F80-E83 WeakPolarHBondContact O-CB 3.44Å; F80-E83 PolarHBondContact O-N 2.74Å; F80-I150 VanDerWaalsContact CA-CD1 3.45Å
81V96.4Very high96.7Very high93 Ų9349.9 Ų49.956%0.56426%0.257SS*.THydrogen-bonded Turntrans-67.9132.8178176.20000109.7E83 L148 I150V81-E83 VanDerWaalsContact C-N 3.34Å; V81-L148 VanDerWaalsContact CG1-O 3.22Å; V81-L148 WeakPolarHBondContact CG1-O 3.5Å; V81-I150 HydrophobicContact CG2-CD1 4.3Å; V81-I150 HydrophobicContact CG2-CG1 4.21Å
82G96.6Very high96.6Very high37 Ų3745.9 Ų45.938%0.38124%0.24SC..THydrogen-bonded Turntrans89.4-6.2-17500000114.1F80 I147F80-G82 PolarHBondContact O-N 3.02Å; G82-I147 WeakPolarHBondContact CA-O 3.49Å; G82-I147 PolarHBondContact N-O 2.82Å
83E96.5Very high96.5Very high12 Ų1248 Ų486%0.05625%0.252CS..  trans-66.1137175.1-164.7175.6-175.400110.7M1 P79 F80 V81 C85 K146 I147M1-E83 WeakPolarHBondContact CA-OE1 2.77Å; M1-E83 WeakPolarHBondContact CB-OE1 3.44Å; M1-E83 PolarHBondContact N-OE1 2.9Å; M1-E83 PolarHBondContact N-OE2 3.21Å; P79-E83 WeakPolarHBondContact CA-OE2 3.41Å; F80-E83 HydrophobicContact CD1-CB 4.12Å; F80-E83 HydrophobicContact CD1-CG 4.19Å; F80-E83 VanDerWaalsContact CD1-OE2 3.24Å; F80-E83 WeakPolarHBondContact CD1-OE2 3.37Å; F80-E83 HydrophobicContact CD2-CB 3.75Å; F80-E83 HydrophobicContact CD2-CG 4.48Å; F80-E83 HydrophobicContact CE1-CB 3.94Å; F80-E83 HydrophobicContact CE1-CG 3.63Å; F80-E83 WeakPolarHBondContact CE1-OE2 3.43Å; F80-E83 HydrophobicContact CE2-CB 3.54Å; F80-E83 HydrophobicContact CE2-CG 3.94Å; F80-E83 HydrophobicContact CG-CB 4.04Å; F80-E83 HydrophobicContact CZ-CB 3.64Å; F80-E83 HydrophobicContact CZ-CG 3.48Å; F80-E83 VanDerWaalsContact CZ-CG 3.48Å; F80-E83 PolarHBondContact N-OE2 2.84Å; F80-E83 WeakPolarHBondContact O-CB 3.44Å; F80-E83 PolarHBondContact O-N 2.74Å; V81-E83 VanDerWaalsContact C-N 3.34Å; E83-C85 VanDerWaalsContact CG-SG 3.56Å; E83-K146 CarbonylContact O-C 3.48Å; E83-K146 WeakPolarHBondContact O-CA 3.43Å; E83-I147 HydrophobicContact CB-CD1 4.31Å; E83-I147 PolarHBondContact O-N 3.28Å
84V97.3Very high96.4Very high75 Ų7552.3 Ų52.346%0.45527%0.271SS..EExtended strand (participates in β ladder)trans-101.1122.7170.4-179.90000107.9R144 V145 K146 L168V84-R144 HydrophobicContact CG1-CG 3.46Å; V84-R144 VanDerWaalsContact CG1-CG 3.46Å; V84-V145 WeakPolarHBondContact CA-O 3.45Å; V84-K146 HydrophobicContact CG2-CB 4.19Å; V84-K146 HydrophobicContact CG2-CG 4.16Å; V84-L168 HydrophobicContact CG1-CD2 3.79Å; V84-L168 HydrophobicContact CG2-CD2 4.4Å
85C96.4Very high96.3Very high13 Ų1356.8 Ų56.89%0.08830%0.298CS..EExtended strand (participates in β ladder)trans-131.8149.9-175.6-660000110.5E83 I101 V145E83-C85 VanDerWaalsContact CG-SG 3.56Å; C85-I101 HydrophobicContact CB-CD1 3.86Å; C85-I101 HydrophobicContact CB-CG1 4.36Å; C85-I101 HydrophobicContact CB-CG2 3.84Å; C85-V145 PolarHBondContact N-O 2.77Å; C85-V145 PolarHBondContact O-N 3.24Å
86D96.5Very high96.3Very high77 Ų7753.6 Ų53.641%0.41228%0.282SS..EExtended strand (participates in β ladder)trans-91.8140.7170-58.7-18.4000108.6I143 R144 I171D86-I143 CarbonylContact C-O 3.53Å; D86-I143 WeakPolarHBondContact CA-O 3.11Å; D86-R144 WeakPolarHBondContact OD1-CB 3.49Å; D86-R144 WeakPolarHBondContact OD1-CG 3.5Å; D86-R144 IonicContact OD1-CZ 3.93Å; D86-R144 IonicContact OD1-NE 3.79Å; D86-R144 PolarHBondContact OD1-NE 3.29Å; D86-R144 IonicContact OD1-NH2 2.64Å; D86-R144 PolarHBondContact OD1-NH2 2.87Å; D86-R144 IonicContact OD2-CZ 2.84Å; D86-R144 IonicContact OD2-NE 2.68Å; D86-R144 IonicContact OD2-NH2 3.44Å; D86-R144 PolarHBondContact OD2-NH2 3.22Å; D86-I171 HydrophobicContact CB-CD1 3.82Å; D86-I171 VanDerWaalsContact CG-CD1 3.4Å; D86-I171 WeakPolarHBondContact OD1-CD1 3.3Å
87G96.4Very high96.2Very high7 Ų753.6 Ų53.67%0.07228%0.282CS..EExtended strand (participates in β ladder)trans-151.3162.1-17800000111.8D100 I143G87-D100 VanDerWaalsContact CA-O 3.26Å; G87-D100 WeakPolarHBondContact CA-O 3.42Å; G87-I143 PolarHBondContact N-O 2.74Å; G87-I143 PolarHBondContact O-N 3.25Å
88I97.6Very high96.3Very high84 Ų8457.1 Ų57.143%0.43130%0.297SS..EExtended strand (participates in β ladder)trans-100.1128.8-178.1-59.5169.5000108.4T90 C99 D100 E142I88-T90 PolarHBondContact O-N 2.64Å; I88-C99 CarbonylContact O-C 3.59Å; I88-C99 WeakPolarHBondContact O-CA 3.4Å; I88-C99 VanDerWaalsContact O-CB 3.27Å; I88-C99 WeakPolarHBondContact O-CB 3.23Å; I88-D100 PolarHBondContact N-O 2.94Å; I88-D100 PolarHBondContact O-N 3.12Å; I88-E142 HydrophobicContact CG1-CG 4.49Å
89V97.6Very high96.4Very high0 Ų051 Ų510%027%0.274CS..EExtended strand (participates in β ladder)trans-69.2120.9176.2-178.70000109.6V92 L97 I137 A138 D140 D141 I143V89-V92 HydrophobicContact CG1-CG2 3.68Å; V89-L97 HydrophobicContact CG1-CD2 4.22Å; V89-I137 HydrophobicContact CG2-CG2 3.84Å; V89-A138 VanDerWaalsContact CB-O 3.27Å; V89-A138 WeakPolarHBondContact CB-O 3.48Å; V89-A138 VanDerWaalsContact CG1-O 3.27Å; V89-A138 WeakPolarHBondContact CG1-O 3.14Å; V89-D140 PolarHBondContact O-N 2.79Å; V89-D141 WeakPolarHBondContact CG2-O 3.22Å; V89-D141 PolarHBondContact N-O 3.38Å; V89-I143 HydrophobicContact CG2-CB 4.37Å; V89-I143 HydrophobicContact CG2-CD1 3.6Å; V89-I143 HydrophobicContact CG2-CG1 3.72Å; V89-I143 HydrophobicContact CG2-CG2 3.75Å
90T97.2Very high96.5Very high41 Ų4153.3 Ų53.325%0.25229%0.286SS..EExtended strand (participates in β ladder)trans-94.6-42.9177.9520000111.9I88 F98 D100I88-T90 PolarHBondContact O-N 2.64Å; T90-F98 PolarHBondContact N-O 2.78Å; T90-F98 PolarHBondContact OG1-O 2.81Å; T90-D100 HydrophobicContact CG2-CB 4.15Å; T90-D100 VanDerWaalsContact CG2-OD2 3.27Å; T90-D100 WeakPolarHBondContact CG2-OD2 3.5Å
91H95.6Very high96.6Very high129 Ų12949.6 Ų49.660%0.59727%0.27SS*.EExtended strand (participates in β ladder)trans-143.1137.3-178.2-64.9-56000112.2F98H91-F98 HydrophobicContact CB-CB 4.2Å; H91-F98 HydrophobicContact CB-CD2 4.18Å; H91-F98 PolarHBondContact N-O 3.44Å; H91-F98 PolarHBondContact O-N 2.81Å
92V96.4Very high96.6Very high13 Ų1348 Ų488%0.07927%0.273CS..EExtended strand (participates in β ladder)trans-112.9130.2175.1-1750000109.7V89 L97 F119 L126 Y128V89-V92 HydrophobicContact CG1-CG2 3.68Å; V92-L97 HydrophobicContact CB-CD2 4.04Å; V92-L97 HydrophobicContact CG1-CD2 3.71Å; V92-L97 HydrophobicContact CG2-CD2 3.6Å; V92-F119 HydrophobicContact CG1-CD2 4.07Å; V92-F119 HydrophobicContact CG1-CE2 4.02Å; V92-L126 HydrophobicContact CB-CB 4.44Å; V92-Y128 HydrophobicContact CG1-CD2 3.54Å; V92-Y128 HydrophobicContact CG1-CE2 3.83Å
93N95.4Very high96.5Very high50 Ų5049 Ų4927%0.26727%0.272SS..EExtended strand (participates in β ladder)trans-145.2174.4176.269.634.8000112.7V95 G96 F98 F119 Y128N93-V95 PolarHBondContact O-N 3.39Å; N93-V95 WeakPolarHBondContact OD1-CA 3.47Å; N93-V95 WeakPolarHBondContact OD1-CB 3.42Å; N93-V95 PolarHBondContact OD1-N 2.75Å; N93-G96 CarbonylContact C-O 3.43Å; N93-G96 PolarHBondContact N-O 3.04Å; N93-G96 PolarHBondContact O-N 3.25Å; N93-G96 PolarHBondContact OD1-N 2.85Å; N93-G96 PolarHBondContact OD1-O 2.87Å; N93-G96 VanDerWaalsContact OD1-O 3.1Å; N93-F98 WeakPolarHBondContact ND2-CE2 3.25Å; N93-F119 VanDerWaalsContact C-CE2 3.49Å; N93-Y128 VanDerWaalsContact O-CE2 3.27Å; N93-Y128 WeakPolarHBondContact O-CE2 3.44Å; N93-Y128 PolarHBondContact O-OH 3.29Å
94K94.9Very high96.5Very high167 Ų16748.4 Ų48.473%0.72627%0.269SS*.THydrogen-bonded Turntrans-61.9-27178.7-176.9176.6177.5-177.80113.6F119 Y128K94-F119 HydrophobicContact CB-CD1 3.78Å; K94-F119 HydrophobicContact CB-CE1 3.84Å; K94-F119 HydrophobicContact CB-CG 4.44Å; K94-F119 HydrophobicContact CG-CD1 4.25Å; K94-Y128 PolarHBondContact O-OH 2.8Å
95V96.4Very high96.4Very high95 Ų9546.9 Ų46.958%0.57626%0.263SS*.THydrogen-bonded Turntrans-82.5-23.6-177.6-166.50000111.2N93 F107 R110N93-V95 PolarHBondContact O-N 3.39Å; N93-V95 WeakPolarHBondContact OD1-CA 3.47Å; N93-V95 WeakPolarHBondContact OD1-CB 3.42Å; N93-V95 PolarHBondContact OD1-N 2.75Å; V95-F107 HydrophobicContact CG1-CZ 4.08Å; V95-R110 WeakPolarHBondContact O-CB 3.26Å; V95-R110 PolarHBondContact O-N 2.98Å
96G96.4Very high96.5Very high0 Ų046.3 Ų46.30%026%0.259CS..EExtended strand (participates in β ladder)trans160.1-155.2-17700000114.3N93 I108N93-G96 CarbonylContact C-O 3.43Å; N93-G96 PolarHBondContact N-O 3.04Å; N93-G96 PolarHBondContact O-N 3.25Å; N93-G96 PolarHBondContact OD1-N 2.85Å; N93-G96 PolarHBondContact OD1-O 2.87Å; N93-G96 VanDerWaalsContact OD1-O 3.1Å; G96-I108 CarbonylContact C-O 3.58Å; G96-I108 WeakPolarHBondContact CA-O 3.4Å
97L96.6Very high96.5Very high0 Ų045.2 Ų45.20%025%0.25CS..EExtended strand (participates in β ladder)trans-120141.1178.4-64162.8000109.5V89 V92 F107 I108 I113 Y128 I137 L163V89-L97 HydrophobicContact CG1-CD2 4.22Å; V92-L97 HydrophobicContact CB-CD2 4.04Å; V92-L97 HydrophobicContact CG1-CD2 3.71Å; V92-L97 HydrophobicContact CG2-CD2 3.6Å; L97-F107 WeakPolarHBondContact O-CD2 3.21Å; L97-I108 HydrophobicContact CB-CB 4.24Å; L97-I108 HydrophobicContact CB-CD1 4.36Å; L97-I108 PolarHBondContact N-O 2.89Å; L97-I108 PolarHBondContact O-N 2.96Å; L97-I113 HydrophobicContact CD1-CD1 3.67Å; L97-I113 HydrophobicContact CD1-CG1 4.32Å; L97-I113 HydrophobicContact CG-CD1 3.81Å; L97-Y128 HydrophobicContact CD2-CD2 3.72Å; L97-Y128 HydrophobicContact CD2-CE2 4.15Å; L97-Y128 HydrophobicContact CG-CD2 4.04Å; L97-Y128 HydrophobicContact CG-CE2 4.2Å; L97-I137 HydrophobicContact CD1-CG2 4.2Å; L97-I137 HydrophobicContact CD2-CG2 4.16Å; L97-L163 HydrophobicContact CD1-CD1 3.94Å
98F97.6Very high96.6Very high79 Ų7944.9 Ų44.935%0.34625%0.247SC..EExtended strand (participates in β ladder)trans-105.4131.8162.8-70.2-84.5000108.4T90 H91 N93 F107T90-F98 PolarHBondContact N-O 2.78Å; T90-F98 PolarHBondContact OG1-O 2.81Å; H91-F98 HydrophobicContact CB-CB 4.2Å; H91-F98 HydrophobicContact CB-CD2 4.18Å; H91-F98 PolarHBondContact N-O 3.44Å; H91-F98 PolarHBondContact O-N 2.81Å; N93-F98 WeakPolarHBondContact ND2-CE2 3.25Å; F98-F107 HydrophobicContact CD1-CB 4.2Å; F98-F107 AromaticContact CD1-CD2 3.83Å; F98-F107 HydrophobicContact CD1-CD2 3.83Å; F98-F107 HydrophobicContact CD1-CG 4.46Å; F98-F107 HydrophobicContact CD2-CD2 4.24Å; F98-F107 HydrophobicContact CE1-CB 4.04Å; F98-F107 AromaticContact CE1-CD2 3.5Å; F98-F107 HydrophobicContact CE1-CD2 3.5Å; F98-F107 HydrophobicContact CE1-CE2 4.34Å; F98-F107 HydrophobicContact CE1-CG 4.05Å; F98-F107 AromaticContact CE2-CD2 3.96Å; F98-F107 HydrophobicContact CE2-CD2 3.96Å; F98-F107 HydrophobicContact CE2-CE2 4.07Å; F98-F107 HydrophobicContact CG-CD2 4.19Å; F98-F107 AromaticContact CZ-CD2 3.57Å; F98-F107 HydrophobicContact CZ-CD2 3.57Å; F98-F107 AromaticContact CZ-CE2 3.95Å; F98-F107 HydrophobicContact CZ-CE2 3.95Å; F98-F107 HydrophobicContact CZ-CG 4.41Å
99C97.4Very high96.6Very high0 Ų042.1 Ų42.10%024%0.235CC..EExtended strand (participates in β ladder)trans-136.5149.8172.261.20000110.8I88 C106 I143I88-C99 CarbonylContact O-C 3.59Å; I88-C99 WeakPolarHBondContact O-CA 3.4Å; I88-C99 VanDerWaalsContact O-CB 3.27Å; I88-C99 WeakPolarHBondContact O-CB 3.23Å; C99-C106 PolarHBondContact N-O 3.42Å; C99-C106 WeakPolarHBondContact O-CA 3.43Å; C99-C106 PolarHBondContact O-N 3.11Å; C99-I143 HydrophobicContact CB-CD1 4.01Å; C99-I143 HydrophobicContact CB-CG1 4.35Å
100D97.6Very high96.5Very high58 Ų5844.9 Ų44.931%0.3125%0.245SC..EExtended strand (participates in β ladder)trans-105.6130.1176.1-73.2-21.9000110.1G87 I88 T90 L104 S105G87-D100 VanDerWaalsContact CA-O 3.26Å; G87-D100 WeakPolarHBondContact CA-O 3.42Å; I88-D100 PolarHBondContact N-O 2.94Å; I88-D100 PolarHBondContact O-N 3.12Å; T90-D100 HydrophobicContact CG2-CB 4.15Å; T90-D100 VanDerWaalsContact CG2-OD2 3.27Å; T90-D100 WeakPolarHBondContact CG2-OD2 3.5Å; D100-L104 WeakPolarHBondContact CA-O 3.49Å; D100-S105 WeakPolarHBondContact OD1-CA 3.46Å; D100-S105 PolarHBondContact OD1-OG 2.83Å
101I96.7Very high96.5Very high11 Ų1150.9 Ų50.96%0.05627%0.27CS..EExtended strand (participates in β ladder)trans-110.482.8174.9-56.9164.1000106.6F77 C85 P103 L104 C106F77-I101 HydrophobicContact CE2-CG2 4.48Å; F77-I101 HydrophobicContact CZ-CG2 3.79Å; C85-I101 HydrophobicContact CB-CD1 3.86Å; C85-I101 HydrophobicContact CB-CG1 4.36Å; C85-I101 HydrophobicContact CB-CG2 3.84Å; I101-P103 WeakPolarHBondContact O-CD 3.19Å; I101-L104 HydrophobicContact CB-CB 4.37Å; I101-L104 HydrophobicContact CB-CD2 4.34Å; I101-L104 HydrophobicContact CD1-CD2 4.19Å; I101-L104 PolarHBondContact N-O 2.83Å; I101-L104 WeakPolarHBondContact O-CB 3.14Å; I101-L104 PolarHBondContact O-N 2.78Å; I101-L104 VanDerWaalsContact O-N 3.11Å; I101-C106 HydrophobicContact CD1-CB 3.98Å
102G95.2Very high96.6Very high61 Ų6146 Ų4663%0.62925%0.25SS*.THydrogen-bonded Turntrans60.1-120-168.100000110.4L104G102-L104 VanDerWaalsContact C-N 3.33Å
103P94.9Very high96.6Very high56 Ų5645.5 Ų45.536%0.36425%0.247SC..THydrogen-bonded Turntrans-81.7-6177.735.8-37.2000114.3F44 I46 F77 I101F44-P103 HydrophobicContact CB-CG 3.9Å; F44-P103 HydrophobicContact CD1-CB 3.86Å; F44-P103 HydrophobicContact CD1-CG 3.96Å; F44-P103 HydrophobicContact CD2-CG 3.96Å; F44-P103 HydrophobicContact CE1-CB 4.12Å; F44-P103 HydrophobicContact CE1-CG 4.44Å; F44-P103 HydrophobicContact CE2-CG 4.43Å; F44-P103 HydrophobicContact CG-CB 4.12Å; F44-P103 HydrophobicContact CG-CG 3.68Å; I46-P103 HydrophobicContact CD1-CG 3.93Å; F77-P103 HydrophobicContact CD1-CG 4Å; I101-P103 WeakPolarHBondContact O-CD 3.19Å
104L95.9Very high96.6Very high0 Ų044.4 Ų44.40%024%0.243CC..EExtended strand (participates in β ladder)trans-92.1117.7-176.6169.471.4000111F44 F77 P79 D100 I101 G102 I147 I157 A159F44-L104 HydrophobicContact CE2-CB 4.06Å; F44-L104 HydrophobicContact CE2-CD1 4.28Å; F44-L104 HydrophobicContact CZ-CB 4.4Å; F44-L104 HydrophobicContact CZ-CD1 4.5Å; F77-L104 HydrophobicContact CD1-CB 4.39Å; F77-L104 HydrophobicContact CE1-CB 3.62Å; F77-L104 HydrophobicContact CE1-CD2 3.9Å; F77-L104 HydrophobicContact CE1-CG 4.4Å; F77-L104 HydrophobicContact CZ-CD2 4.25Å; P79-L104 HydrophobicContact CB-CD2 3.72Å; P79-L104 HydrophobicContact CG-CD1 4.28Å; P79-L104 HydrophobicContact CG-CD2 3.88Å; D100-L104 WeakPolarHBondContact CA-O 3.49Å; I101-L104 HydrophobicContact CB-CB 4.37Å; I101-L104 HydrophobicContact CB-CD2 4.34Å; I101-L104 HydrophobicContact CD1-CD2 4.19Å; I101-L104 PolarHBondContact N-O 2.83Å; I101-L104 WeakPolarHBondContact O-CB 3.14Å; I101-L104 PolarHBondContact O-N 2.78Å; I101-L104 VanDerWaalsContact O-N 3.11Å; G102-L104 VanDerWaalsContact C-N 3.33Å; L104-I147 HydrophobicContact CD2-CD1 4.1Å; L104-I157 HydrophobicContact CD1-CB 4.4Å; L104-I157 HydrophobicContact CD1-CG2 3.96Å; L104-I157 WeakPolarHBondContact CD1-O 3.49Å; L104-A159 HydrophobicContact CD1-CB 3.85Å; L104-A159 HydrophobicContact CD2-CB 3.89Å; L104-A159 HydrophobicContact CG-CB 4.08Å
105S96.1Very high96.5Very high44 Ų4441.4 Ų41.431%0.30824%0.243SC..EExtended strand (participates in β ladder)trans-79.5125.5167.3-63.10000111D100 A159D100-S105 WeakPolarHBondContact OD1-CA 3.46Å; D100-S105 PolarHBondContact OD1-OG 2.83Å; S105-A159 PolarHBondContact O-N 3.39Å
106C97.5Very high96.4Very high1 Ų140.9 Ų40.91%0.00724%0.237CC..EExtended strand (participates in β ladder)trans-116.1130179.7-170.80000110C99 I101 A159C99-C106 PolarHBondContact N-O 3.42Å; C99-C106 WeakPolarHBondContact O-CA 3.43Å; C99-C106 PolarHBondContact O-N 3.11Å; I101-C106 HydrophobicContact CD1-CB 3.98Å; C106-A159 WeakPolarHBondContact CA-O 3.46Å; C106-A159 HydrophobicContact CB-CB 4.16Å
107F97.9Very high96.3Very high53 Ų5341.4 Ų41.423%0.23224%0.239CC..EExtended strand (participates in β ladder)trans-107.6129.5174.3176.4-110.7000110.7V95 L97 F98 A159 I160 G161V95-F107 HydrophobicContact CG1-CZ 4.08Å; L97-F107 WeakPolarHBondContact O-CD2 3.21Å; F98-F107 HydrophobicContact CD1-CB 4.2Å; F98-F107 AromaticContact CD1-CD2 3.83Å; F98-F107 HydrophobicContact CD1-CD2 3.83Å; F98-F107 HydrophobicContact CD1-CG 4.46Å; F98-F107 HydrophobicContact CD2-CD2 4.24Å; F98-F107 HydrophobicContact CE1-CB 4.04Å; F98-F107 AromaticContact CE1-CD2 3.5Å; F98-F107 HydrophobicContact CE1-CD2 3.5Å; F98-F107 HydrophobicContact CE1-CE2 4.34Å; F98-F107 HydrophobicContact CE1-CG 4.05Å; F98-F107 AromaticContact CE2-CD2 3.96Å; F98-F107 HydrophobicContact CE2-CD2 3.96Å; F98-F107 HydrophobicContact CE2-CE2 4.07Å; F98-F107 HydrophobicContact CG-CD2 4.19Å; F98-F107 AromaticContact CZ-CD2 3.57Å; F98-F107 HydrophobicContact CZ-CD2 3.57Å; F98-F107 AromaticContact CZ-CE2 3.95Å; F98-F107 HydrophobicContact CZ-CE2 3.95Å; F98-F107 HydrophobicContact CZ-CG 4.41Å; F107-A159 PolarHBondContact N-O 3.48Å; F107-I160 CarbonylContact O-C 3.6Å; F107-I160 VanDerWaalsContact O-CA 3.28Å; F107-I160 WeakPolarHBondContact O-CA 3.44Å; F107-G161 PolarHBondContact O-N 2.94Å
108I97.9Very high96.1Very high0 Ų044.2 Ų44.20%026%0.255CS..EExtended strand (participates in β ladder)trans-112.9108.9176.4-52.6165.6000107.2G96 L97 C112 I113 I143 V145 L163G96-I108 CarbonylContact C-O 3.58Å; G96-I108 WeakPolarHBondContact CA-O 3.4Å; L97-I108 HydrophobicContact CB-CB 4.24Å; L97-I108 HydrophobicContact CB-CD1 4.36Å; L97-I108 PolarHBondContact N-O 2.89Å; L97-I108 PolarHBondContact O-N 2.96Å; I108-C112 HydrophobicContact CG2-CB 4.24Å; I108-I113 HydrophobicContact CG2-CD1 4.44Å; I108-I113 HydrophobicContact CG2-CG1 3.75Å; I108-I143 HydrophobicContact CD1-CD1 3.7Å; I108-V145 HydrophobicContact CD1-CB 4.38Å; I108-V145 HydrophobicContact CD1-CG1 3.76Å; I108-V145 HydrophobicContact CD1-CG2 3.63Å; I108-V145 HydrophobicContact CG1-CG1 3.99Å; I108-L163 HydrophobicContact CD1-CD1 4.31Å; I108-L163 HydrophobicContact CD1-CD2 4.22Å; I108-L163 HydrophobicContact CD1-CG 4.12Å; I108-L163 HydrophobicContact CG2-CG 4.24Å
109S97.4Very high96Very high27 Ų2742.4 Ų42.419%0.18925%0.247CC..EExtended strand (participates in β ladder)trans-64.4149.3176.3-179.70000111H111 C112 I113S109-H111 PolarHBondContact O-N 2.88Å; S109-H111 PolarHBondContact OG-N 2.85Å; S109-C112 CarbonylContact O-C 3.18Å; S109-C112 WeakPolarHBondContact O-CA 3.48Å; S109-C112 PolarHBondContact O-N 2.79Å; S109-I113 PolarHBondContact O-N 2.9Å
110R96.6Very high95.9Very high57 Ų5745 Ų4522%0.21526%0.259CS..G310 helixtrans-48.9-33.3170.3173.261.8-173.4116.5-12.9113V95 C112 I113 P114 M117 D118V95-R110 WeakPolarHBondContact O-CB 3.26Å; V95-R110 PolarHBondContact O-N 2.98Å; R110-C112 PolarHBondContact O-N 3.5Å; R110-I113 PolarHBondContact NH1-O 2.9Å; R110-I113 PolarHBondContact O-N 2.9Å; R110-P114 PolarHBondContact NH1-O 2.98Å; R110-M117 PolarHBondContact NH1-O 3.3Å; R110-M117 PolarHBondContact NH2-O 3.17Å; R110-D118 IonicContact NH2-OD1 3.82Å; R110-D118 PolarHBondContact NH2-OD1 3.19Å
111H96.3Very high95.6Very high167 Ų16746.1 Ų46.177%0.77327%0.269SS*.G310 helixtrans-72.2-15.4178-59.8-62.8000113.8S109S109-H111 PolarHBondContact O-N 2.88Å; S109-H111 PolarHBondContact OG-N 2.85Å
112C97Very high95.4Very high26 Ų2653.1 Ų53.118%0.17631%0.307CS..G310 helixtrans-107.313.5175-54.30000112I108 S109 R110 L163I108-C112 HydrophobicContact CG2-CB 4.24Å; S109-C112 CarbonylContact O-C 3.18Å; S109-C112 WeakPolarHBondContact O-CA 3.48Å; S109-C112 PolarHBondContact O-N 2.79Å; R110-C112 PolarHBondContact O-N 3.5Å; C112-L163 PolarHBondContact O-N 3.04Å
113I96.2Very high95.2Very high3 Ų351.8 Ų51.82%0.01529%0.29CS..SBendtrans-106137.3170.5-60.2176.2000107.1L97 I108 S109 R110 M117 Y128 L163L97-I113 HydrophobicContact CD1-CD1 3.67Å; L97-I113 HydrophobicContact CD1-CG1 4.32Å; L97-I113 HydrophobicContact CG-CD1 3.81Å; I108-I113 HydrophobicContact CG2-CD1 4.44Å; I108-I113 HydrophobicContact CG2-CG1 3.75Å; S109-I113 PolarHBondContact O-N 2.9Å; R110-I113 PolarHBondContact NH1-O 2.9Å; R110-I113 PolarHBondContact O-N 2.9Å; I113-M117 HydrophobicContact CG2-CB 4.05Å; I113-M117 HydrophobicContact CG2-CE 3.81Å; I113-Y128 HydrophobicContact CD1-CD1 4.3Å; I113-Y128 HydrophobicContact CD1-CD2 4.29Å; I113-Y128 HydrophobicContact CD1-CE1 4.01Å; I113-Y128 HydrophobicContact CD1-CE2 3.99Å; I113-Y128 HydrophobicContact CD1-CG 4.44Å; I113-Y128 HydrophobicContact CG2-CD1 4.25Å; I113-L163 HydrophobicContact CG1-CD1 4.43Å
114P95.5Very high94.9Very high28 Ų2857 Ų5718%0.18232%0.315CS..  trans-44.4142.5174.6-32.636000113.8R110 D116 M117 L163R110-P114 PolarHBondContact NH1-O 2.98Å; P114-D116 VanDerWaalsContact C-N 3.25Å; P114-D116 WeakPolarHBondContact CB-OD1 3.36Å; P114-D116 PolarHBondContact O-N 2.93Å; P114-M117 HydrophobicContact CB-CE 4.28Å; P114-M117 HydrophobicContact CG-CE 3.96Å; P114-M117 PolarHBondContact O-N 2.82Å; P114-L163 HydrophobicContact CG-CB 4.49Å; P114-L163 WeakPolarHBondContact CG-O 3.27Å
115S93.4Very high94.6Very high104 Ų10460.8 Ų60.873%0.72734%0.339SS*.THydrogen-bonded Turntrans-70.7-21.3-172.651.40000113.9M117S115-M117 VanDerWaalsContact C-N 3.35Å
116D93.4Very high94.6Very high83 Ų8362.1 Ų62.144%0.44434%0.343SS..THydrogen-bonded Turntrans-78.7-15.3177.361.9-40.1000113.6P114 T130P114-D116 VanDerWaalsContact C-N 3.25Å; P114-D116 WeakPolarHBondContact CB-OD1 3.36Å; P114-D116 PolarHBondContact O-N 2.93Å; D116-T130 WeakPolarHBondContact O-CA 3.44Å
117M94.4Very high94.5Very high11 Ų1162.5 Ų62.55%0.05435%0.345CS..EExtended strand (participates in β ladder)trans-92.9122.9173-73.3-157.6-81.200112R110 I113 P114 S115 Y128 K129 T130 V135 I137 L163R110-M117 PolarHBondContact NH1-O 3.3Å; R110-M117 PolarHBondContact NH2-O 3.17Å; I113-M117 HydrophobicContact CG2-CB 4.05Å; I113-M117 HydrophobicContact CG2-CE 3.81Å; P114-M117 HydrophobicContact CB-CE 4.28Å; P114-M117 HydrophobicContact CG-CE 3.96Å; P114-M117 PolarHBondContact O-N 2.82Å; S115-M117 VanDerWaalsContact C-N 3.35Å; M117-Y128 HydrophobicContact CB-CD1 4.44Å; M117-K129 WeakPolarHBondContact CA-O 3.44Å; M117-T130 HydrophobicContact CG-CG2 3.72Å; M117-V135 HydrophobicContact SD-CG1 4.24Å; M117-I137 HydrophobicContact CE-CD1 3.88Å; M117-I137 HydrophobicContact SD-CD1 3.86Å; M117-I137 HydrophobicContact SD-CG1 4.4Å; M117-L163 HydrophobicContact CE-CD1 4.5Å
118D94.2Very high94.4Very high60 Ų6060 Ų6032%0.32133%0.334SS..EExtended strand (participates in β ladder)trans-114.7139.3-179-75.3-43.1000112.4R110 Q120 Y128 K129R110-D118 IonicContact NH2-OD1 3.82Å; R110-D118 PolarHBondContact NH2-OD1 3.19Å; D118-Q120 PolarHBondContact O-NE2 2.87Å; D118-Y128 WeakPolarHBondContact O-CA 3.37Å; D118-K129 PolarHBondContact N-O 2.78Å; D118-K129 PolarHBondContact O-N 3.37Å
119F95.6Very high94.2Very high41 Ų4162.4 Ų62.418%0.1835%0.345CS..EExtended strand (participates in β ladder)trans-67.9130.5174.6176.9-112.1000110.7V92 N93 K94 P121 L126 Y128V92-F119 HydrophobicContact CG1-CD2 4.07Å; V92-F119 HydrophobicContact CG1-CE2 4.02Å; N93-F119 VanDerWaalsContact C-CE2 3.49Å; K94-F119 HydrophobicContact CB-CD1 3.78Å; K94-F119 HydrophobicContact CB-CE1 3.84Å; K94-F119 HydrophobicContact CB-CG 4.44Å; K94-F119 HydrophobicContact CG-CD1 4.25Å; F119-P121 HydrophobicContact CD1-CB 4.37Å; F119-P121 HydrophobicContact CE1-CB 3.83Å; F119-P121 VanDerWaalsContact O-CD 3.24Å; F119-P121 WeakPolarHBondContact O-CD 3.35Å; F119-L126 HydrophobicContact CE2-CB 4.24Å; F119-L126 HydrophobicContact CE2-CD2 4.35Å; F119-L126 HydrophobicContact CZ-CD1 4.37Å; F119-L126 HydrophobicContact CZ-CD2 3.95Å; F119-Y128 HydrophobicContact CB-CD1 4.26Å; F119-Y128 HydrophobicContact CB-CE1 3.73Å; F119-Y128 HydrophobicContact CB-CE2 4.22Å; F119-Y128 HydrophobicContact CD2-CD2 4.34Å; F119-Y128 AromaticContact CD2-CE2 3.95Å; F119-Y128 HydrophobicContact CD2-CE2 3.95Å
120Q94.2Very high94Very high54 Ų5461.6 Ų61.625%0.25234%0.339SS..EExtended strand (participates in β ladder)trans-105.196.9179.7-59.3-60.6-47.400110.5D118 N122 A123 C127 K129D118-Q120 PolarHBondContact O-NE2 2.87Å; Q120-N122 PolarHBondContact O-N 3.32Å; Q120-A123 HydrophobicContact CB-CB 3.63Å; Q120-A123 PolarHBondContact O-N 2.87Å; Q120-C127 PolarHBondContact N-O 2.9Å; Q120-K129 HydrophobicContact CG-CD 3.75Å; Q120-K129 HydrophobicContact CG-CG 3.64Å
121P92Very high93.7Very high81 Ų8166.8 Ų66.853%0.52636%0.363SS..THydrogen-bonded Turntrans-69.4-20.8-178.228.2-35.6000113.3F119F119-P121 HydrophobicContact CD1-CB 4.37Å; F119-P121 HydrophobicContact CE1-CB 3.83Å; F119-P121 VanDerWaalsContact O-CD 3.24Å; F119-P121 WeakPolarHBondContact O-CD 3.35Å
122N92.1Very high93.4Very high158 Ų15865.8 Ų65.885%0.84536%0.363SS*.THydrogen-bonded Turntrans-100.5-2-176.9-60.2-20.7000112.8Q120Q120-N122 PolarHBondContact O-N 3.32Å
123A90.1Very high92.9Very high34 Ų3470.4 Ų70.428%0.28138%0.382SS..SBendtrans-75.7145.817600000110.2Q120 P125 L126Q120-A123 HydrophobicContact CB-CB 3.63Å; Q120-A123 PolarHBondContact O-N 2.87Å; A123-P125 CarbonylContact C-O 3.44Å; A123-P125 VanDerWaalsContact CB-O 3.23Å; A123-P125 WeakPolarHBondContact CB-O 3.28Å; A123-P125 CarbonylContact O-C 3.35Å; A123-L126 PolarHBondContact O-N 2.88Å
124N89.1Confident92.5Very high166 Ų16674.7 Ų74.789%0.88841%0.412SS*.SBendtrans-129.2102.4172-169.719.9000108.7
125P90.1Very high92.4Very high78 Ų7875.6 Ų75.651%0.50642%0.417SS..SBendcis-73.7163.26.731-35.9000114.2A123 A138A123-P125 CarbonylContact C-O 3.44Å; A123-P125 VanDerWaalsContact CB-O 3.23Å; A123-P125 WeakPolarHBondContact CB-O 3.28Å; A123-P125 CarbonylContact O-C 3.35Å; P125-A138 HydrophobicContact CG-CB 4.04Å
126L95.3Very high92.4Very high73 Ų7373.3 Ų73.338%0.38240%0.399SS..  trans-61.8135.1171.6-67.9175.3000110.1V92 F119 A123V92-L126 HydrophobicContact CB-CB 4.44Å; F119-L126 HydrophobicContact CE2-CB 4.24Å; F119-L126 HydrophobicContact CE2-CD2 4.35Å; F119-L126 HydrophobicContact CZ-CD1 4.37Å; F119-L126 HydrophobicContact CZ-CD2 3.95Å; A123-L126 PolarHBondContact O-N 2.88Å
127C95.1Very high92.5Very high9 Ų969.4 Ų69.46%0.06138%0.378CS..EExtended strand (participates in β ladder)trans-147.9162.6-176.166.70000113.3Q120 V136 I137 A138Q120-C127 PolarHBondContact N-O 2.9Å; C127-V136 HydrophobicContact CB-CG1 3.89Å; C127-I137 CarbonylContact C-O 3.57Å; C127-I137 WeakPolarHBondContact CA-O 3.27Å; C127-I137 VanDerWaalsContact CB-O 3.27Å; C127-I137 WeakPolarHBondContact CB-O 3.27Å; C127-A138 HydrophobicContact CB-CB 4.07Å
128Y95.7Very high92.6Very high1 Ų169.4 Ų69.40%0.00438%0.379CS..EExtended strand (participates in β ladder)trans-96.9133.9155.7-83.6-93.4000108.5V92 N93 K94 L97 I113 M117 D118 F119 V136 I137V92-Y128 HydrophobicContact CG1-CD2 3.54Å; V92-Y128 HydrophobicContact CG1-CE2 3.83Å; N93-Y128 VanDerWaalsContact O-CE2 3.27Å; N93-Y128 WeakPolarHBondContact O-CE2 3.44Å; N93-Y128 PolarHBondContact O-OH 3.29Å; K94-Y128 PolarHBondContact O-OH 2.8Å; L97-Y128 HydrophobicContact CD2-CD2 3.72Å; L97-Y128 HydrophobicContact CD2-CE2 4.15Å; L97-Y128 HydrophobicContact CG-CD2 4.04Å; L97-Y128 HydrophobicContact CG-CE2 4.2Å; I113-Y128 HydrophobicContact CD1-CD1 4.3Å; I113-Y128 HydrophobicContact CD1-CD2 4.29Å; I113-Y128 HydrophobicContact CD1-CE1 4.01Å; I113-Y128 HydrophobicContact CD1-CE2 3.99Å; I113-Y128 HydrophobicContact CD1-CG 4.44Å; I113-Y128 HydrophobicContact CG2-CD1 4.25Å; M117-Y128 HydrophobicContact CB-CD1 4.44Å; D118-Y128 WeakPolarHBondContact O-CA 3.37Å; F119-Y128 HydrophobicContact CB-CD1 4.26Å; F119-Y128 HydrophobicContact CB-CE1 3.73Å; F119-Y128 HydrophobicContact CB-CE2 4.22Å; F119-Y128 HydrophobicContact CD2-CD2 4.34Å; F119-Y128 AromaticContact CD2-CE2 3.95Å; F119-Y128 HydrophobicContact CD2-CE2 3.95Å; Y128-V136 CarbonylContact O-C 3.57Å; Y128-V136 WeakPolarHBondContact O-CA 3.48Å; Y128-I137 PolarHBondContact N-O 3.43Å; Y128-I137 PolarHBondContact O-N 3.11Å
129K94.5Very high92.6Very high50 Ų5068.3 Ų68.322%0.21738%0.379CS..EExtended strand (participates in β ladder)trans-138.9148.7174.470.9-179.3-173.61730112.4M117 D118 Q120 E133 V135 V136M117-K129 WeakPolarHBondContact CA-O 3.44Å; D118-K129 PolarHBondContact N-O 2.78Å; D118-K129 PolarHBondContact O-N 3.37Å; Q120-K129 HydrophobicContact CG-CD 3.75Å; Q120-K129 HydrophobicContact CG-CG 3.64Å; K129-E133 HydrophobicContact CD-CG 4.41Å; K129-E133 IonicContact NZ-OE1 2.67Å; K129-E133 PolarHBondContact NZ-OE1 2.87Å; K129-V135 VanDerWaalsContact CA-O 3.27Å; K129-V135 WeakPolarHBondContact CA-O 3.48Å; K129-V136 HydrophobicContact CB-CB 4.48Å; K129-V136 HydrophobicContact CB-CG1 4.46Å; K129-V136 HydrophobicContact CB-CG2 3.98Å
130T94Very high92.6Very high10 Ų1072.9 Ų72.96%0.06141%0.405CS..EExtended strand (participates in β ladder)trans-66.3153.2167.6530000110.7D116 M117 D132 E133 S134 V135D116-T130 WeakPolarHBondContact O-CA 3.44Å; M117-T130 HydrophobicContact CG-CG2 3.72Å; T130-D132 PolarHBondContact O-N 3.27Å; T130-E133 WeakPolarHBondContact O-CA 3.3Å; T130-E133 PolarHBondContact O-N 2.79Å; T130-E133 PolarHBondContact OG1-N 3.41Å; T130-S134 PolarHBondContact OG1-N 2.84Å; T130-S134 PolarHBondContact OG1-OG 3.18Å; T130-V135 HydrophobicContact CG2-CB 3.96Å; T130-V135 HydrophobicContact CG2-CG2 4.43Å; T130-V135 PolarHBondContact N-O 3.39Å; T130-V135 PolarHBondContact OG1-N 2.94Å; T130-V135 VanDerWaalsContact OG1-N 3.11Å; T130-V135 PolarHBondContact OG1-O 2.99Å
131K89.9Confident92.7Very high166 Ų16672.7 Ų72.772%0.72241%0.406SS*.THydrogen-bonded Turntrans-57-34.5175.8-67.9-178.3-178.21740113.5E133K131-E133 PolarHBondContact O-N 3.04Å
132D90.4Very high92.9Very high146 Ų14673.9 Ų73.978%0.78140%0.404SS*.THydrogen-bonded Turntrans-83.94.1179.3-56.5-21.9000112.5T130 S134T130-D132 PolarHBondContact O-N 3.27Å; D132-S134 PolarHBondContact O-N 2.84Å
133E86Confident93.2Very high123 Ų12366.3 Ų66.358%0.57536%0.364SS*.SBendtrans5710.7-178.8-52.9-165.5151.300115.4K129 T130 K131 V135K129-E133 HydrophobicContact CD-CG 4.41Å; K129-E133 IonicContact NZ-OE1 2.67Å; K129-E133 PolarHBondContact NZ-OE1 2.87Å; T130-E133 WeakPolarHBondContact O-CA 3.3Å; T130-E133 PolarHBondContact O-N 2.79Å; T130-E133 PolarHBondContact OG1-N 3.41Å; K131-E133 PolarHBondContact O-N 3.04Å; E133-V135 VanDerWaalsContact C-N 3.33Å; E133-V135 PolarHBondContact O-N 3.17Å
134S88.3Confident93.6Very high93 Ų9369.3 Ų69.365%0.6537%0.368SS*.SBendtrans-64.5-33.9178.564.80000113.9T130 D132T130-S134 PolarHBondContact OG1-N 2.84Å; T130-S134 PolarHBondContact OG1-OG 3.18Å; D132-S134 PolarHBondContact O-N 2.84Å
135V92.3Very high94Very high47 Ų4761.4 Ų61.429%0.28533%0.326SS..  trans-125.4127.9178.1-177.40000108.5M117 K129 T130 E133 I137 L170M117-V135 HydrophobicContact SD-CG1 4.24Å; K129-V135 VanDerWaalsContact CA-O 3.27Å; K129-V135 WeakPolarHBondContact CA-O 3.48Å; T130-V135 HydrophobicContact CG2-CB 3.96Å; T130-V135 HydrophobicContact CG2-CG2 4.43Å; T130-V135 PolarHBondContact N-O 3.39Å; T130-V135 PolarHBondContact OG1-N 2.94Å; T130-V135 VanDerWaalsContact OG1-N 3.11Å; T130-V135 PolarHBondContact OG1-O 2.99Å; E133-V135 VanDerWaalsContact C-N 3.33Å; E133-V135 PolarHBondContact O-N 3.17Å; V135-I137 HydrophobicContact CG1-CG1 4.32Å; V135-L170 HydrophobicContact CG1-CB 3.88Å; V135-L170 HydrophobicContact CG1-CD2 4.13Å
136V94.3Very high94.3Very high56 Ų5660.3 Ų60.334%0.33931%0.313SS..EExtended strand (participates in β ladder)trans-129.8125.9175.1-176.30000107.3C127 Y128 K129 L170C127-V136 HydrophobicContact CB-CG1 3.89Å; Y128-V136 CarbonylContact O-C 3.57Å; Y128-V136 WeakPolarHBondContact O-CA 3.48Å; K129-V136 HydrophobicContact CB-CB 4.48Å; K129-V136 HydrophobicContact CB-CG1 4.46Å; K129-V136 HydrophobicContact CB-CG2 3.98Å; V136-L170 WeakPolarHBondContact O-CD2 3.24Å
137I95.8Very high94.5Very high0 Ų056.9 Ų56.90%030%0.295CS..EExtended strand (participates in β ladder)trans-115.9109.1175.2-58.1175.8000107.5V89 L97 M117 C127 Y128 V135 I143 L163 L170V89-I137 HydrophobicContact CG2-CG2 3.84Å; L97-I137 HydrophobicContact CD1-CG2 4.2Å; L97-I137 HydrophobicContact CD2-CG2 4.16Å; M117-I137 HydrophobicContact CE-CD1 3.88Å; M117-I137 HydrophobicContact SD-CD1 3.86Å; M117-I137 HydrophobicContact SD-CG1 4.4Å; C127-I137 CarbonylContact C-O 3.57Å; C127-I137 WeakPolarHBondContact CA-O 3.27Å; C127-I137 VanDerWaalsContact CB-O 3.27Å; C127-I137 WeakPolarHBondContact CB-O 3.27Å; Y128-I137 PolarHBondContact N-O 3.43Å; Y128-I137 PolarHBondContact O-N 3.11Å; V135-I137 HydrophobicContact CG1-CG1 4.32Å; I137-I143 HydrophobicContact CD1-CG2 4.25Å; I137-I143 HydrophobicContact CG1-CG2 4.4Å; I137-I143 HydrophobicContact CG2-CG2 3.83Å; I137-L163 HydrophobicContact CD1-CD1 4.21Å; I137-L170 HydrophobicContact CG1-CB 4.24Å; I137-L170 HydrophobicContact CG1-CD1 4.45Å
138A95.3Very high94.6Very high11 Ų1160.3 Ų60.39%0.09131%0.312CS..EExtended strand (participates in β ladder)trans-114.3-179.1176.500000110.6V89 P125 C127 D141V89-A138 VanDerWaalsContact CB-O 3.27Å; V89-A138 WeakPolarHBondContact CB-O 3.48Å; V89-A138 VanDerWaalsContact CG1-O 3.27Å; V89-A138 WeakPolarHBondContact CG1-O 3.14Å; P125-A138 HydrophobicContact CG-CB 4.04Å; C127-A138 HydrophobicContact CB-CB 4.07Å; A138-D141 PolarHBondContact N-OD2 3.34Å
139A95.3Very high94.6Very high38 Ų3861.2 Ų61.231%0.31432%0.323SS..THydrogen-bonded Turntrans-63.4150168.600000110.5D141A139-D141 PolarHBondContact O-N 2.89Å
140D95.5Very high94.6Very high136 Ų13661.6 Ų61.673%0.72733%0.326SS*.THydrogen-bonded Turntrans68.8-1.7-174.8-58.5-35.5000116V89V89-D140 PolarHBondContact O-N 2.79Å
141D95.9Very high94.7Very high51 Ų5169 Ų6927%0.27335%0.353SS..  trans-73.8147.1173.7-73-26.1000112.1V89 A138 A139 L170V89-D141 WeakPolarHBondContact CG2-O 3.22Å; V89-D141 PolarHBondContact N-O 3.38Å; A138-D141 PolarHBondContact N-OD2 3.34Å; A139-D141 PolarHBondContact O-N 2.89Å; D141-L170 HydrophobicContact CB-CD1 3.87Å
142E96.9Very high94.7Very high105 Ų10564.8 Ų64.849%0.49134%0.341SS..EExtended strand (participates in β ladder)trans-86.9125.5172.4-67-175.5-176.700110.6I88 I171I88-E142 HydrophobicContact CG1-CG 4.49Å; E142-I171 HydrophobicContact CB-CB 4.38Å; E142-I171 HydrophobicContact CB-CD1 4.44Å; E142-I171 PolarHBondContact O-N 2.67Å
143I97.1Very high94.6Very high0 Ų061.8 Ų61.80%033%0.325CS..EExtended strand (participates in β ladder)trans-126.7144.6179.160.3166.5000111.6D86 G87 V89 C99 I108 I137 V145 G169D86-I143 CarbonylContact C-O 3.53Å; D86-I143 WeakPolarHBondContact CA-O 3.11Å; G87-I143 PolarHBondContact N-O 2.74Å; G87-I143 PolarHBondContact O-N 3.25Å; V89-I143 HydrophobicContact CG2-CB 4.37Å; V89-I143 HydrophobicContact CG2-CD1 3.6Å; V89-I143 HydrophobicContact CG2-CG1 3.72Å; V89-I143 HydrophobicContact CG2-CG2 3.75Å; C99-I143 HydrophobicContact CB-CD1 4.01Å; C99-I143 HydrophobicContact CB-CG1 4.35Å; I108-I143 HydrophobicContact CD1-CD1 3.7Å; I137-I143 HydrophobicContact CD1-CG2 4.25Å; I137-I143 HydrophobicContact CG1-CG2 4.4Å; I137-I143 HydrophobicContact CG2-CG2 3.83Å; I143-V145 HydrophobicContact CB-CG2 4.41Å; I143-V145 HydrophobicContact CD1-CG2 3.52Å; I143-V145 HydrophobicContact CG1-CG2 3.72Å; I143-G169 CarbonylContact C-O 3.54Å; I143-G169 VanDerWaalsContact CA-O 3.3Å; I143-G169 WeakPolarHBondContact CA-O 3.23Å
144R97.7Very high94.4Very high96 Ų9660 Ų6036%0.36233%0.331SS..EExtended strand (participates in β ladder)trans-94.2122.1170.4-178162-71.6158.45.8110.3V84 D86 L163 L168 G169 I171V84-R144 HydrophobicContact CG1-CG 3.46Å; V84-R144 VanDerWaalsContact CG1-CG 3.46Å; D86-R144 WeakPolarHBondContact OD1-CB 3.49Å; D86-R144 WeakPolarHBondContact OD1-CG 3.5Å; D86-R144 IonicContact OD1-CZ 3.93Å; D86-R144 IonicContact OD1-NE 3.79Å; D86-R144 PolarHBondContact OD1-NE 3.29Å; D86-R144 IonicContact OD1-NH2 2.64Å; D86-R144 PolarHBondContact OD1-NH2 2.87Å; D86-R144 IonicContact OD2-CZ 2.84Å; D86-R144 IonicContact OD2-NE 2.68Å; D86-R144 IonicContact OD2-NH2 3.44Å; D86-R144 PolarHBondContact OD2-NH2 3.22Å; R144-L163 WeakPolarHBondContact O-CD2 3.27Å; R144-L168 HydrophobicContact CG-CD2 3.84Å; R144-G169 PolarHBondContact N-O 3.34Å; R144-G169 PolarHBondContact O-N 3Å; R144-I171 HydrophobicContact CB-CD1 4.09Å; R144-I171 HydrophobicContact CB-CG1 4.06Å
145V97.6Very high94.3Very high0 Ų062 Ų620%033%0.334CS..EExtended strand (participates in β ladder)trans-128.9139.6-170.5-173.70000110.3V84 C85 I108 I143 L163V84-V145 WeakPolarHBondContact CA-O 3.45Å; C85-V145 PolarHBondContact N-O 2.77Å; C85-V145 PolarHBondContact O-N 3.24Å; I108-V145 HydrophobicContact CD1-CB 4.38Å; I108-V145 HydrophobicContact CD1-CG1 3.76Å; I108-V145 HydrophobicContact CD1-CG2 3.63Å; I108-V145 HydrophobicContact CG1-CG1 3.99Å; I143-V145 HydrophobicContact CB-CG2 4.41Å; I143-V145 HydrophobicContact CD1-CG2 3.52Å; I143-V145 HydrophobicContact CG1-CG2 3.72Å; V145-L163 HydrophobicContact CB-CD2 4.43Å; V145-L163 HydrophobicContact CG2-CD2 3.92Å
146K98.1Very high94.2Very high56 Ų5662.4 Ų62.424%0.24334%0.335CS..EExtended strand (participates in β ladder)trans-95.3125.9169-174.2-179.5-174.3-178.80110.8E83 V84 L148 G161 S162 D165 L168E83-K146 CarbonylContact O-C 3.48Å; E83-K146 WeakPolarHBondContact O-CA 3.43Å; V84-K146 HydrophobicContact CG2-CB 4.19Å; V84-K146 HydrophobicContact CG2-CG 4.16Å; K146-L148 PolarHBondContact O-N 2.89Å; K146-G161 CarbonylContact O-C 3.55Å; K146-G161 VanDerWaalsContact O-CA 3.23Å; K146-G161 WeakPolarHBondContact O-CA 2.97Å; K146-S162 PolarHBondContact N-O 3.35Å; K146-S162 PolarHBondContact O-N 3.43Å; K146-D165 WeakPolarHBondContact CD-OD2 3.48Å; K146-D165 WeakPolarHBondContact CE-OD2 3.47Å; K146-D165 IonicContact NZ-OD2 3.24Å; K146-D165 PolarHBondContact NZ-OD2 2.87Å; K146-L168 HydrophobicContact CB-CD1 3.74Å
147I97.8Very high94.2Very high0 Ų060 Ų600%032%0.32CS..EExtended strand (participates in β ladder)trans-73.1119.4176.2-59.5-178.3000109.2P79 G82 E83 L104 I150 A159P79-I147 HydrophobicContact CB-CD1 3.77Å; G82-I147 WeakPolarHBondContact CA-O 3.49Å; G82-I147 PolarHBondContact N-O 2.82Å; E83-I147 HydrophobicContact CB-CD1 4.31Å; E83-I147 PolarHBondContact O-N 3.28Å; L104-I147 HydrophobicContact CD2-CD1 4.1Å; I147-I150 HydrophobicContact CG2-CD1 4.26Å; I147-I150 HydrophobicContact CG2-CG1 3.81Å; I147-A159 HydrophobicContact CG2-CB 4.21Å
148L97.4Very high94.1Very high81 Ų8163.7 Ų63.742%0.42434%0.337SS..EExtended strand (participates in β ladder)trans-95.9-29.6175.9-67.3-173000113.2V81 K146 I160V81-L148 VanDerWaalsContact CG1-O 3.22Å; V81-L148 WeakPolarHBondContact CG1-O 3.5Å; K146-L148 PolarHBondContact O-N 2.89Å; L148-I160 PolarHBondContact N-O 3.35Å
149G96.5Very high94.2Very high21 Ų2163.3 Ų63.322%0.21633%0.334CS..EExtended strand (participates in β ladder)trans-154.4151.1-174.700000111.3A159 I160G149-A159 CarbonylContact O-C 3.53Å; G149-A159 WeakPolarHBondContact O-CA 3.4Å; G149-I160 PolarHBondContact N-O 2.94Å; G149-I160 PolarHBondContact O-N 3.1Å
150I95.3Very high94.3Very high58 Ų5865.8 Ų65.830%0.29734%0.34SS..EExtended strand (participates in β ladder)trans-129.2129.6178-61.5172.5000107.7P79 F80 V81 I147 V152 I157 F158P79-I150 VanDerWaalsContact C-CD1 3.44Å; P79-I150 HydrophobicContact CB-CD1 3.94Å; P79-I150 HydrophobicContact CG-CD1 4.07Å; P79-I150 VanDerWaalsContact O-CD1 3.25Å; P79-I150 WeakPolarHBondContact O-CD1 3.35Å; F80-I150 VanDerWaalsContact CA-CD1 3.45Å; V81-I150 HydrophobicContact CG2-CD1 4.3Å; V81-I150 HydrophobicContact CG2-CG1 4.21Å; I147-I150 HydrophobicContact CG2-CD1 4.26Å; I147-I150 HydrophobicContact CG2-CG1 3.81Å; I150-V152 HydrophobicContact CG2-CG2 4.48Å; I150-I157 HydrophobicContact CG2-CG2 3.32Å; I150-F158 WeakPolarHBondContact CA-O 3.08Å
151R94.3Very high94.4Very high165 Ų16559.3 Ų59.362%0.62331%0.306SS*.EExtended strand (participates in β ladder)trans-113.9121172.6-179.5-176.6170.9-164.2-7.8108.3I157 F158R151-I157 WeakPolarHBondContact O-CA 3.27Å; R151-F158 PolarHBondContact N-O 2.98Å; R151-F158 PolarHBondContact O-N 3.23Å
152V91Very high94.5Very high78 Ų7857.1 Ų57.147%0.47330%0.295SS..EExtended strand (participates in β ladder)trans-93.1128.4173.4-175.50000108.3I150 I157I150-V152 HydrophobicContact CG2-CG2 4.48Å; V152-I157 HydrophobicContact CG1-CG1 4.33Å; V152-I157 HydrophobicContact CG2-CG1 4.24Å
153D88.8Confident94.5Very high82 Ų8252.3 Ų52.344%0.43927%0.272SS..EExtended strand (participates in β ladder)trans-108.1177.1166.5-149.2-25.2000109.6N155 D156 F158D153-N155 VanDerWaalsContact C-N 3.28Å; D153-N155 PolarHBondContact O-N 2.79Å; D153-N155 VanDerWaalsContact O-N 3.12Å; D153-D156 PolarHBondContact N-O 2.86Å; D153-D156 PolarHBondContact O-N 3.23Å; D153-D156 VanDerWaalsContact O-O 3.13Å; D153-F158 HydrophobicContact CB-CE2 4.28Å
154A81.4Confident94.5Very high85 Ų8557.1 Ų57.170%0.70230%0.296SS*.THydrogen-bonded Turntrans-50.3-44.3-169.100000114.2
155N85Confident94.4Very high135 Ų13556.3 Ų56.372%0.72230%0.299SS*.THydrogen-bonded Turntrans-131.518.7-178.1-68.3-24.4000112.3C38 D153C38-N155 VanDerWaalsContact CB-O 3.3Å; C38-N155 WeakPolarHBondContact CB-O 3.21Å; D153-N155 VanDerWaalsContact C-N 3.28Å; D153-N155 PolarHBondContact O-N 2.79Å; D153-N155 VanDerWaalsContact O-N 3.12Å
156D90.9Very high94.2Very high57 Ų5763 Ų6331%0.30534%0.335SS..EExtended strand (participates in β ladder)trans-151.6162-174.9-149.4-12.8000112F44 D153 F158F44-D156 WeakPolarHBondContact CE1-OD1 3.27Å; F44-D156 WeakPolarHBondContact CZ-OD1 3.21Å; D153-D156 PolarHBondContact N-O 2.86Å; D153-D156 PolarHBondContact O-N 3.23Å; D153-D156 VanDerWaalsContact O-O 3.13Å; D156-F158 HydrophobicContact CB-CE2 4.06Å; D156-F158 HydrophobicContact CB-CZ 4.29Å
157I93.9Very high94Very high5 Ų570.7 Ų70.73%0.02636%0.364CS..EExtended strand (participates in β ladder)trans-128.7129.3175.6-62.3170.3000107.9C38 F44 P79 L104 I150 R151 V152C38-I157 WeakPolarHBondContact SG-CD1 3.27Å; C38-I157 WeakPolarHBondContact SG-CG1 3.26Å; F44-I157 HydrophobicContact CD2-CD1 4.46Å; F44-I157 HydrophobicContact CE2-CB 3.74Å; F44-I157 HydrophobicContact CE2-CD1 4.18Å; F44-I157 HydrophobicContact CE2-CG1 4.34Å; F44-I157 HydrophobicContact CZ-CB 3.73Å; F44-I157 HydrophobicContact CZ-CG1 4.44Å; P79-I157 HydrophobicContact CG-CG2 4.09Å; L104-I157 HydrophobicContact CD1-CB 4.4Å; L104-I157 HydrophobicContact CD1-CG2 3.96Å; L104-I157 WeakPolarHBondContact CD1-O 3.49Å; I150-I157 HydrophobicContact CG2-CG2 3.32Å; R151-I157 WeakPolarHBondContact O-CA 3.27Å; V152-I157 HydrophobicContact CG1-CG1 4.33Å; V152-I157 HydrophobicContact CG2-CG1 4.24Å
158F95.6Very high93.9Very high78 Ų7872.2 Ų72.234%0.34237%0.372SS..EExtended strand (participates in β ladder)trans-111.6144.9173-61.4-80.9000109.8I150 R151 D153 D156I150-F158 WeakPolarHBondContact CA-O 3.08Å; R151-F158 PolarHBondContact N-O 2.98Å; R151-F158 PolarHBondContact O-N 3.23Å; D153-F158 HydrophobicContact CB-CE2 4.28Å; D156-F158 HydrophobicContact CB-CE2 4.06Å; D156-F158 HydrophobicContact CB-CZ 4.29Å
159A96.8Very high93.8Very high3 Ų368.7 Ų68.73%0.02536%0.355CS..EExtended strand (participates in β ladder)trans-114.7152.517500000111.8L104 S105 C106 F107 I147 G149L104-A159 HydrophobicContact CD1-CB 3.85Å; L104-A159 HydrophobicContact CD2-CB 3.89Å; L104-A159 HydrophobicContact CG-CB 4.08Å; S105-A159 PolarHBondContact O-N 3.39Å; C106-A159 WeakPolarHBondContact CA-O 3.46Å; C106-A159 HydrophobicContact CB-CB 4.16Å; F107-A159 PolarHBondContact N-O 3.48Å; I147-A159 HydrophobicContact CG2-CB 4.21Å; G149-A159 CarbonylContact O-C 3.53Å; G149-A159 WeakPolarHBondContact O-CA 3.4Å
160I97.7Very high93.7Very high89 Ų8970.3 Ų70.346%0.45636%0.358SS..EExtended strand (participates in β ladder)trans-110.6127.9164.7-60172.5000107.2F107 L148 G149F107-I160 CarbonylContact O-C 3.6Å; F107-I160 VanDerWaalsContact O-CA 3.28Å; F107-I160 WeakPolarHBondContact O-CA 3.44Å; L148-I160 PolarHBondContact N-O 3.35Å; G149-I160 PolarHBondContact N-O 2.94Å; G149-I160 PolarHBondContact O-N 3.1Å
161G97.7Very high93.7Very high0 Ų069.6 Ų69.60%035%0.354CS..EExtended strand (participates in β ladder)trans-114.3171.2-175.800000114.1F107 K146F107-G161 PolarHBondContact O-N 2.94Å; K146-G161 CarbonylContact O-C 3.55Å; K146-G161 VanDerWaalsContact O-CA 3.23Å; K146-G161 WeakPolarHBondContact O-CA 2.97Å
162S97.6Very high93Very high6 Ų667.2 Ų67.24%0.04236%0.358CS..EExtended strand (participates in β ladder)trans-142.6150.1175.4-178.40000111.7K146 M164 L168K146-S162 PolarHBondContact N-O 3.35Å; K146-S162 PolarHBondContact O-N 3.43Å; S162-M164 WeakPolarHBondContact OG-CB 3.41Å; S162-M164 WeakPolarHBondContact OG-CG 3.47Å; S162-M164 PolarHBondContact OG-N 3.25Å; S162-L168 WeakPolarHBondContact O-CD1 3.49Å
163L97.3Very high91.7Very high4 Ų468.3 Ų68.32%0.02137%0.369CS..  trans-11712.2173.8-59.9179.7000112L97 I108 C112 I113 P114 M117 I137 R144 V145 L168L97-L163 HydrophobicContact CD1-CD1 3.94Å; I108-L163 HydrophobicContact CD1-CD1 4.31Å; I108-L163 HydrophobicContact CD1-CD2 4.22Å; I108-L163 HydrophobicContact CD1-CG 4.12Å; I108-L163 HydrophobicContact CG2-CG 4.24Å; C112-L163 PolarHBondContact O-N 3.04Å; I113-L163 HydrophobicContact CG1-CD1 4.43Å; P114-L163 HydrophobicContact CG-CB 4.49Å; P114-L163 WeakPolarHBondContact CG-O 3.27Å; M117-L163 HydrophobicContact CE-CD1 4.5Å; I137-L163 HydrophobicContact CD1-CD1 4.21Å; R144-L163 WeakPolarHBondContact O-CD2 3.27Å; V145-L163 HydrophobicContact CB-CD2 4.43Å; V145-L163 HydrophobicContact CG2-CD2 3.92Å; L163-L168 HydrophobicContact CD2-CB 4.4Å
164M95.8Very high90Very high101 Ų10175.5 Ų75.550%0.49841%0.407SS..  trans-80-18.9-170.7-65.2-66-6600115S162S162-M164 WeakPolarHBondContact OG-CB 3.41Å; S162-M164 WeakPolarHBondContact OG-CG 3.47Å; S162-M164 PolarHBondContact OG-N 3.25Å
165D95.2Very high90.4Very high78 Ų7875 Ų7542%0.41739%0.393SS..SBendtrans-85.6159.3178.9-61.7-6.8000110.4K146 L168K146-D165 WeakPolarHBondContact CD-OD2 3.48Å; K146-D165 WeakPolarHBondContact CE-OD2 3.47Å; K146-D165 IonicContact NZ-OD2 3.24Å; K146-D165 PolarHBondContact NZ-OD2 2.87Å; D165-L168 HydrophobicContact CB-CD1 3.74Å; D165-L168 HydrophobicContact CB-CG 4.18Å; D165-L168 WeakPolarHBondContact O-CB 3.34Å; D165-L168 WeakPolarHBondContact O-CG 3.46Å; D165-L168 PolarHBondContact O-N 3.42Å
166D93.9Very high90.7Very high142 Ų14271.8 Ų71.876%0.75938%0.375SS*.THydrogen-bonded Turntrans-59.9149.4176.7-61.3-39.2000112.1L168D166-L168 PolarHBondContact O-N 3.44Å
167Y94.3Very high90.7Very high216 Ų21672.7 Ų72.785%0.84738%0.379SS*.THydrogen-bonded Turntrans62.717.5180-49.1-79.4000115.3
168L96Very high90.5Very high33 Ų3376.6 Ų76.617%0.17340%0.4CS..  trans-97.9166.8167.6-55.4-173.6000110.8V84 R144 K146 S162 L163 D165 D166V84-L168 HydrophobicContact CG1-CD2 3.79Å; V84-L168 HydrophobicContact CG2-CD2 4.4Å; R144-L168 HydrophobicContact CG-CD2 3.84Å; K146-L168 HydrophobicContact CB-CD1 3.74Å; S162-L168 WeakPolarHBondContact O-CD1 3.49Å; L163-L168 HydrophobicContact CD2-CB 4.4Å; D165-L168 HydrophobicContact CB-CD1 3.74Å; D165-L168 HydrophobicContact CB-CG 4.18Å; D165-L168 WeakPolarHBondContact O-CB 3.34Å; D165-L168 WeakPolarHBondContact O-CG 3.46Å; D165-L168 PolarHBondContact O-N 3.42Å; D166-L168 PolarHBondContact O-N 3.44Å
169G94.5Very high90.2Very high6 Ų676.6 Ų76.66%0.06240%0.403CS..EExtended strand (participates in β ladder)trans104.8-150179.200000112.7I143 R144 I171I143-G169 CarbonylContact C-O 3.54Å; I143-G169 VanDerWaalsContact CA-O 3.3Å; I143-G169 WeakPolarHBondContact CA-O 3.23Å; R144-G169 PolarHBondContact N-O 3.34Å; R144-G169 PolarHBondContact O-N 3Å; G169-I171 PolarHBondContact O-N 3.38Å
170L95.5Very high89.7Confident56 Ų5681.5 Ų81.529%0.29343%0.429SS..EExtended strand (participates in β ladder)trans-60130.6-174.6-171.969.7000111.6V135 V136 I137 D141V135-L170 HydrophobicContact CG1-CB 3.88Å; V135-L170 HydrophobicContact CG1-CD2 4.13Å; V136-L170 WeakPolarHBondContact O-CD2 3.24Å; I137-L170 HydrophobicContact CG1-CB 4.24Å; I137-L170 HydrophobicContact CG1-CD1 4.45Å; D141-L170 HydrophobicContact CB-CD1 3.87Å
171I93.6Very high89.2Confident43 Ų4380.9 Ų80.922%0.22143%0.427CS..  trans-92.6113.1171.5-55.1173.7000106.8D86 E142 R144 G169 S173D86-I171 HydrophobicContact CB-CD1 3.82Å; D86-I171 VanDerWaalsContact CG-CD1 3.4Å; D86-I171 WeakPolarHBondContact OD1-CD1 3.3Å; E142-I171 HydrophobicContact CB-CB 4.38Å; E142-I171 HydrophobicContact CB-CD1 4.44Å; E142-I171 PolarHBondContact O-N 2.67Å; R144-I171 HydrophobicContact CB-CD1 4.09Å; R144-I171 HydrophobicContact CB-CG1 4.06Å; G169-I171 PolarHBondContact O-N 3.38Å; I171-S173 PolarHBondContact O-N 3.28Å
172V80.7Confident88.5Confident115 Ų11587.2 Ų87.270%0.69746%0.46SS*.  trans-78.8110.2172.8-173.30000107.1
173S64.4Low87.8Confident100 Ų10093.9 Ų93.970%0.69949%0.494SS*.  trans-75.1120.3166.833.90000108.7I171I171-S173 PolarHBondContact O-N 3.28Å
174D51.8Low86.9Confident233 Ų233102.1 Ų102.1100%1.24654%0.537SS*.  trans-64.30171-76.9-32.6000112.2

Retrieved 174 of 174 residues in 116.7 ms (Link to these results)

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