A0A060XYX1_ONCMY Loading...

Protein Abitram

AlphaFold DB , UniProt , Accession A0A060XYX1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene abitram, Length 189 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
1M39.1Very low54.5Low234 Ų234149.6 Ų149.6100%1.15377%0.767SS**  0830-163.8166.2-16300104.1
2E40.9Very low55.9Low193 Ų193145.8 Ų145.890%0.90276%0.755SS**  trans-88.2119.1-173.1-72.6166141.600107.2M4E2-M4 PolarHBondContact O-N 3.05Å
3D45.5Very low57.4Low154 Ų154136.2 Ų136.282%0.82471%0.706SS**  trans-64.2121.9-175.7-71.3-60000110.8E5D3-E5 PolarHBondContact O-N 3.35Å
4M50.9Low58.6Low166 Ų166132.2 Ų132.282%0.81869%0.686SS**  trans-7576.5177.4-166.4-176.7-8000109E2 H6E2-M4 PolarHBondContact O-N 3.05Å; M4-H6 PolarHBondContact O-N 3.34Å; M4-H6 PolarHBondContact O-ND1 2.64Å
5E54.4Low59.9Low189 Ų189133.1 Ų133.188%0.88368%0.677SS**  trans-64.3104.6172.2-115.2-172141.700108.9D3 N7D3-E5 PolarHBondContact O-N 3.35Å; E5-N7 PolarHBondContact O-N 3.33Å; E5-N7 VanDerWaalsContact O-N 3.14Å
6H53.7Low61.3Low164 Ų164132.5 Ų132.576%0.75967%0.665SS**  trans-55.9119.6178.6-84.455.6000109.9M4 K8M4-H6 PolarHBondContact O-N 3.34Å; M4-H6 PolarHBondContact O-ND1 2.64Å; H6-K8 PolarHBondContact O-N 2.87Å
7N52.5Low62.8Low165 Ų165128.8 Ų128.888%0.88264%0.641SS**  trans-62.770.9170.6-1667.4000110.3E5 A9E5-N7 PolarHBondContact O-N 3.33Å; E5-N7 VanDerWaalsContact O-N 3.14Å; N7-A9 PolarHBondContact O-N 2.97Å
8K61.3Low64.3Low190 Ų190125.9 Ų125.983%0.82663%0.632SS**  trans-79.1108.1176.5-159.1176.4-172.7179.80106.3H6H6-K8 PolarHBondContact O-N 2.87Å
9A63.9Low65.7Low69 Ų69121.9 Ų121.957%0.5761%0.609SS**PPolyproline II helixtrans-48.7129.3176.200000109.4N7 S11N7-A9 PolarHBondContact O-N 2.97Å; A9-S11 PolarHBondContact O-N 3.1Å
10P65.4Low67.1Low71 Ų71118.6 Ų118.646%0.46159%0.589SS.*PPolyproline II helixtrans-58.5135.9-174.619.3-29.6000109.3D14 R15P10-D14 HydrophobicContact CB-CB 4.22Å; P10-R15 HydrophobicContact CB-CG 4.02Å; P10-R15 HydrophobicContact CG-CG 4.02Å; P10-R15 PolarHBondContact O-NE 2.94Å; P10-R15 PolarHBondContact O-NH2 2.98Å
11S71.8Confident68.2Low51 Ų51113.3 Ų113.336%0.35756%0.562SS.*PPolyproline II helixtrans-64.7162.4-178.575.50000110.7A9 I13 D14 R15A9-S11 PolarHBondContact O-N 3.1Å; S11-I13 PolarHBondContact O-N 3.17Å; S11-I13 VanDerWaalsContact O-N 3.15Å; S11-I13 PolarHBondContact OG-N 2.8Å; S11-D14 WeakPolarHBondContact CB-OD2 3.38Å; S11-D14 PolarHBondContact N-OD2 3.31Å; S11-D14 PolarHBondContact O-N 3.39Å; S11-D14 PolarHBondContact OG-N 2.78Å; S11-D14 PolarHBondContact OG-OD2 2.8Å; S11-R15 WeakPolarHBondContact O-CG 3.47Å; S11-R15 PolarHBondContact O-N 3.25Å
12V71.3Confident70.6Confident104 Ų104103.9 Ų103.963%0.6352%0.515SS*.Hα-helixtrans-54.4-35176.1178.10000111Y16V12-Y16 HydrophobicContact CG1-CD2 4.03Å; V12-Y16 WeakPolarHBondContact O-CD2 3.46Å; V12-Y16 PolarHBondContact O-N 2.86Å
13I75Confident72.7Confident21 Ų2196 Ų9611%0.10848%0.48CS..Hα-helixtrans-64.9-51.4176.1-60.5162.2000109.8S11 R15 Y16 Y17 S135 T136S11-I13 PolarHBondContact O-N 3.17Å; S11-I13 VanDerWaalsContact O-N 3.15Å; S11-I13 PolarHBondContact OG-N 2.8Å; I13-R15 PolarHBondContact O-N 3.05Å; I13-Y16 PolarHBondContact O-N 2.94Å; I13-Y17 HydrophobicContact CG2-CD2 4.49Å; I13-Y17 HydrophobicContact CG2-CG 4.46Å; I13-Y17 WeakPolarHBondContact O-CA 3.43Å; I13-Y17 VanDerWaalsContact O-CB 3.3Å; I13-Y17 WeakPolarHBondContact O-CB 3.28Å; I13-Y17 PolarHBondContact O-N 3.38Å; I13-S135 WeakPolarHBondContact CD1-O 3.43Å; I13-T136 HydrophobicContact CD1-CG2 3.73Å
14D74.3Confident74.2Confident80 Ų8091.3 Ų91.343%0.42846%0.455SS..Hα-helixtrans-67-23.6-175.6-51.8-44.8000112.9P10 S11 R19P10-D14 HydrophobicContact CB-CB 4.22Å; S11-D14 WeakPolarHBondContact CB-OD2 3.38Å; S11-D14 PolarHBondContact N-OD2 3.31Å; S11-D14 PolarHBondContact O-N 3.39Å; S11-D14 PolarHBondContact OG-N 2.78Å; S11-D14 PolarHBondContact OG-OD2 2.8Å; D14-R19 IonicContact OD1-CZ 3.95Å; D14-R19 IonicContact OD1-NH1 2.68Å; D14-R19 PolarHBondContact OD1-NH1 3.24Å; D14-R19 IonicContact OD1-NH2 3.43Å; D14-R19 PolarHBondContact OD1-NH2 2.83Å
15R78Confident75.2Confident146 Ų14683.6 Ų83.655%0.55142%0.417SS*.Hα-helixtrans-78.8-38176.6-68.4-178.2-163-162.6-1113.6P10 S11 I13P10-R15 HydrophobicContact CB-CG 4.02Å; P10-R15 HydrophobicContact CG-CG 4.02Å; P10-R15 PolarHBondContact O-NE 2.94Å; P10-R15 PolarHBondContact O-NH2 2.98Å; S11-R15 WeakPolarHBondContact O-CG 3.47Å; S11-R15 PolarHBondContact O-N 3.25Å; I13-R15 PolarHBondContact O-N 3.05Å
16Y82.9Confident75.7Confident123 Ų12381.4 Ų81.448%0.48240%0.404SS..Hα-helixtrans-120-11.8-166.2-63.4-68.6000114.6V12 I13 H38 S39V12-Y16 HydrophobicContact CG1-CD2 4.03Å; V12-Y16 WeakPolarHBondContact O-CD2 3.46Å; V12-Y16 PolarHBondContact O-N 2.86Å; I13-Y16 PolarHBondContact O-N 2.94Å; Y16-H38 WeakPolarHBondContact CB-NE2 3.41Å; Y16-H38 CarbonylContact O-C 3.51Å; Y16-H38 VanDerWaalsContact O-CA 3.26Å; Y16-H38 WeakPolarHBondContact O-CA 3.36Å; Y16-H38 PolarHBondContact O-CD2 3.23Å; Y16-S39 PolarHBondContact O-N 2.82Å
17Y87.1Confident76.1Confident69 Ų6976.6 Ų76.627%0.27140%0.399SS..EExtended strand (participates in β ladder)trans-121.1134.2-177.6-65.3-99000111.9I13 L36 Q37 H38 V44I13-Y17 HydrophobicContact CG2-CD2 4.49Å; I13-Y17 HydrophobicContact CG2-CG 4.46Å; I13-Y17 WeakPolarHBondContact O-CA 3.43Å; I13-Y17 VanDerWaalsContact O-CB 3.3Å; I13-Y17 WeakPolarHBondContact O-CB 3.28Å; I13-Y17 PolarHBondContact O-N 3.38Å; Y17-L36 HydrophobicContact CD1-CB 3.65Å; Y17-L36 HydrophobicContact CE1-CB 4.36Å; Y17-L36 HydrophobicContact CG-CB 4.31Å; Y17-Q37 CarbonylContact C-O 3.57Å; Y17-Q37 VanDerWaalsContact CA-O 3.26Å; Y17-Q37 WeakPolarHBondContact CA-O 3.4Å; Y17-H38 HydrophobicContact CD1-CB 3.8Å; Y17-H38 AromaticContact CD2-CD2 3.84Å; Y17-H38 HydrophobicContact CE1-CB 3.58Å; Y17-H38 AromaticContact CE1-CD2 3.88Å; Y17-H38 AromaticContact CE2-CD2 3.46Å; Y17-H38 VanDerWaalsContact CE2-CD2 3.46Å; Y17-H38 WeakPolarHBondContact CE2-CD2 3.28Å; Y17-H38 HydrophobicContact CG-CB 4.48Å; Y17-H38 AromaticContact CZ-CD2 3.48Å; Y17-H38 VanDerWaalsContact CZ-CD2 3.48Å; Y17-V44 HydrophobicContact CE1-CG2 3.97Å
18T89.8Confident76.8Confident77 Ų7772.6 Ų72.647%0.47237%0.374SS..EExtended strand (participates in β ladder)trans-95.4128.6166.8-52.10000108.9W20 Q37T18-W20 HydrophobicContact CG2-CZ2 4.05Å; T18-Q37 PolarHBondContact N-O 3.47Å; T18-Q37 PolarHBondContact O-N 3.46Å
19R91.4Very high77Confident51 Ų5169.9 Ų69.919%0.19237%0.368CS..EExtended strand (participates in β ladder)trans-87.2129.6177.8-57.6-164.6177.375.7-3.3110.3D14 Y21 L36D14-R19 IonicContact OD1-CZ 3.95Å; D14-R19 IonicContact OD1-NH1 2.68Å; D14-R19 PolarHBondContact OD1-NH1 3.24Å; D14-R19 IonicContact OD1-NH2 3.43Å; D14-R19 PolarHBondContact OD1-NH2 2.83Å; R19-Y21 HydrophobicContact CB-CE2 4.01Å; R19-Y21 WeakPolarHBondContact CD-OH 3.43Å; R19-L36 HydrophobicContact CB-CD2 4.28Å; R19-L36 HydrophobicContact CG-CD2 3.58Å
20W92.5Very high77.3Confident55 Ų5568.7 Ų68.721%0.20836%0.355CS..EExtended strand (participates in β ladder)trans-126.4149.4173.4-6399.5000109.2T18 C34 V35 T154 L157 L158T18-W20 HydrophobicContact CG2-CZ2 4.05Å; W20-C34 CarbonylContact O-C 3.52Å; W20-C34 WeakPolarHBondContact O-CA 3.17Å; W20-V35 HydrophobicContact CB-CB 4.24Å; W20-V35 PolarHBondContact N-O 3.21Å; W20-V35 PolarHBondContact O-N 2.85Å; W20-T154 HydrophobicContact CD2-CG2 3.94Å; W20-T154 HydrophobicContact CG-CG2 4.07Å; W20-T154 HydrophobicContact CZ2-CG2 4.11Å; W20-L157 HydrophobicContact CB-CB 3.84Å; W20-L157 HydrophobicContact CB-CD1 3.57Å; W20-L157 HydrophobicContact CB-CG 4.33Å; W20-L157 HydrophobicContact CE3-CB 4.2Å; W20-L157 HydrophobicContact CG-CB 4.45Å; W20-L157 HydrophobicContact CG-CD1 4.14Å; W20-L158 CarbonylContact C-O 3.48Å; W20-L158 WeakPolarHBondContact CA-O 3.42Å
21Y91.6Very high78.1Confident8 Ų866 Ų663%0.03134%0.337CS..EExtended strand (participates in β ladder)trans-125.1142.9-176.2-61.8-88000111.3R19 Q33 C34 A48 L157 L158 R160 Y163R19-Y21 HydrophobicContact CB-CE2 4.01Å; R19-Y21 WeakPolarHBondContact CD-OH 3.43Å; Y21-Q33 CarbonylContact C-O 3.53Å; Y21-Q33 WeakPolarHBondContact CA-O 3.4Å; Y21-C34 HydrophobicContact CD1-CB 3.97Å; Y21-C34 HydrophobicContact CE1-CB 3.85Å; Y21-A48 HydrophobicContact CD1-CB 3.92Å; Y21-A48 HydrophobicContact CE1-CB 4.2Å; Y21-L157 CarbonylContact O-C 3.6Å; Y21-L157 WeakPolarHBondContact O-CA 3.46Å; Y21-L158 PolarHBondContact N-O 2.86Å; Y21-L158 PolarHBondContact O-N 3.29Å; Y21-R160 HydrophobicContact CE2-CB 4.07Å; Y21-R160 HydrophobicContact CE2-CG 4.34Å; Y21-Y163 AromaticContact CD1-CD1 3.72Å; Y21-Y163 HydrophobicContact CD1-CD1 3.72Å; Y21-Y163 HydrophobicContact CD1-CD2 4.04Å; Y21-Y163 AromaticContact CD1-CE1 3.76Å; Y21-Y163 HydrophobicContact CD1-CE1 3.76Å; Y21-Y163 HydrophobicContact CD1-CE2 4.07Å; Y21-Y163 AromaticContact CD1-CG 3.84Å; Y21-Y163 HydrophobicContact CD1-CG 3.84Å; Y21-Y163 AromaticContact CD1-CZ 3.91Å; Y21-Y163 AromaticContact CD2-CD1 3.89Å; Y21-Y163 HydrophobicContact CD2-CD1 3.89Å; Y21-Y163 AromaticContact CD2-CG 3.77Å; Y21-Y163 HydrophobicContact CD2-CG 3.77Å; Y21-Y163 AromaticContact CE1-CD1 3.87Å; Y21-Y163 HydrophobicContact CE1-CD1 3.87Å; Y21-Y163 AromaticContact CE1-CE1 3.78Å; Y21-Y163 HydrophobicContact CE1-CE1 3.78Å; Y21-Y163 HydrophobicContact CE1-CG 4.43Å; Y21-Y163 HydrophobicContact CE2-CD1 4.03Å; Y21-Y163 HydrophobicContact CE2-CG 4.38Å; Y21-Y163 AromaticContact CG-CD1 3.72Å; Y21-Y163 HydrophobicContact CG-CD1 3.72Å; Y21-Y163 AromaticContact CG-CD2 3.8Å; Y21-Y163 HydrophobicContact CG-CD2 3.8Å; Y21-Y163 HydrophobicContact CG-CE1 4.23Å; Y21-Y163 HydrophobicContact CG-CE2 4.3Å; Y21-Y163 AromaticContact CG-CG 3.46Å; Y21-Y163 HydrophobicContact CG-CG 3.46Å; Y21-Y163 VanDerWaalsContact CG-CG 3.46Å
22K89Confident78.8Confident36 Ų3663.6 Ų63.616%0.15732%0.32CS..EExtended strand (participates in β ladder)trans-118.2118.3169.3-169.279.9-168.5-169.70107.9I25 D32 Q33 E91 C111 G156 L157K22-I25 HydrophobicContact CB-CD1 4.1Å; K22-I25 HydrophobicContact CB-CG1 4.28Å; K22-I25 HydrophobicContact CG-CD1 3.93Å; K22-I25 HydrophobicContact CG-CG1 3.66Å; K22-D32 WeakPolarHBondContact O-CA 2.91Å; K22-Q33 PolarHBondContact N-O 3.17Å; K22-Q33 PolarHBondContact O-N 3.11Å; K22-E91 WeakPolarHBondContact CE-OE1 3.2Å; K22-E91 IonicContact NZ-OE1 2.81Å; K22-E91 PolarHBondContact NZ-OE1 2.84Å; K22-C111 HydrophobicContact CB-CB 4.18Å; K22-G156 WeakPolarHBondContact CD-O 3.44Å; K22-G156 PolarHBondContact NZ-O 3.02Å; K22-L157 HydrophobicContact CB-CD2 3.84Å; K22-L157 HydrophobicContact CD-CD2 3.67Å; K22-L157 HydrophobicContact CG-CD2 4.32Å
23T85Confident79.7Confident26 Ų2658.8 Ų58.816%0.1629%0.29CS..  trans-99.9159176.761.20000111.3I25 D32 L158 Y163 V166T23-I25 VanDerWaalsContact C-N 3.35Å; T23-I25 PolarHBondContact O-N 3.44Å; T23-D32 WeakPolarHBondContact CA-OD1 3.21Å; T23-D32 VanDerWaalsContact CB-OD1 3.31Å; T23-D32 WeakPolarHBondContact CB-OD1 3.49Å; T23-D32 HydrophobicContact CG2-CB 4.5Å; T23-D32 WeakPolarHBondContact CG2-OD1 3.12Å; T23-L158 HydrophobicContact CG2-CD1 3.81Å; T23-Y163 HydrophobicContact CG2-CD2 3.62Å; T23-Y163 HydrophobicContact CG2-CE2 3.87Å; T23-V166 HydrophobicContact CG2-CG1 4.34Å
24D76.9Confident80.5Confident56 Ų5658 Ų5830%0.29929%0.286SS..SBendtrans54.146.4168.2-52-50.9000113.7K26 G27 K28 D32 R170D24-K26 PolarHBondContact O-N 3.18Å; D24-G27 PolarHBondContact O-N 3.31Å; D24-K28 WeakPolarHBondContact CA-O 3.37Å; D24-D32 PolarHBondContact N-OD1 3Å; D24-R170 IonicContact OD1-CZ 3.04Å; D24-R170 IonicContact OD1-NH2 2.87Å; D24-R170 PolarHBondContact OD1-NH2 3.31Å; D24-R170 IonicContact OD2-NH2 3.86Å; D24-R170 PolarHBondContact OD2-NH2 2.83Å
25I72.3Confident81.4Confident5 Ų554.2 Ų54.23%0.02627%0.266CS..G310 helixtrans-65.5116.6-172.7-59.5174.6000109.7K22 T23 G27 K28 Q33 Y109K22-I25 HydrophobicContact CB-CD1 4.1Å; K22-I25 HydrophobicContact CB-CG1 4.28Å; K22-I25 HydrophobicContact CG-CD1 3.93Å; K22-I25 HydrophobicContact CG-CG1 3.66Å; T23-I25 VanDerWaalsContact C-N 3.35Å; T23-I25 PolarHBondContact O-N 3.44Å; I25-G27 VanDerWaalsContact C-N 3.26Å; I25-G27 PolarHBondContact O-N 3.14Å; I25-K28 PolarHBondContact O-N 2.78Å; I25-Q33 HydrophobicContact CD1-CB 3.85Å; I25-Q33 VanDerWaalsContact CD1-CD 3.46Å; I25-Q33 HydrophobicContact CD1-CG 3.54Å; I25-Y109 HydrophobicContact CB-CD2 4.29Å; I25-Y109 HydrophobicContact CG2-CD2 3.28Å; I25-Y109 HydrophobicContact CG2-CE2 3.76Å; I25-Y109 HydrophobicContact CG2-CG 3.82Å
26K65.2Low82Confident142 Ų14247.3 Ų47.362%0.61724%0.241SC*.G310 helixtrans58.532-172.8-55.7-173.679-174.20114D24 K28 F92 Y109D24-K26 PolarHBondContact O-N 3.18Å; K26-K28 VanDerWaalsContact C-N 3.28Å; K26-K28 PolarHBondContact O-N 3.31Å; K26-F92 HydrophobicContact CG-CD1 4.21Å; K26-Y109 HydrophobicContact CD-CE1 3.86Å; K26-Y109 HydrophobicContact CD-CE2 4.36Å; K26-Y109 WeakPolarHBondContact CD-OH 3.32Å
27G61.7Low82.4Confident63 Ų6342.6 Ų42.665%0.64922%0.223SC*.G310 helixtrans73.121.417600000113.6D24 I25D24-G27 PolarHBondContact O-N 3.31Å; I25-G27 VanDerWaalsContact C-N 3.26Å; I25-G27 PolarHBondContact O-N 3.14Å
28K67.1Low82.6Confident82 Ų8241 Ų4136%0.35722%0.218SC..  trans-96.5116.8170.2-70.4-166.2176.2-173.40109.8D24 I25 K26 C30 E31D24-K28 WeakPolarHBondContact CA-O 3.37Å; I25-K28 PolarHBondContact O-N 2.78Å; K26-K28 VanDerWaalsContact C-N 3.28Å; K26-K28 PolarHBondContact O-N 3.31Å; K28-C30 PolarHBondContact O-N 3.44Å; K28-E31 HydrophobicContact CB-CB 4.43Å; K28-E31 HydrophobicContact CB-CG 4.16Å; K28-E31 HydrophobicContact CD-CG 4.39Å; K28-E31 WeakPolarHBondContact CD-OE1 3.46Å; K28-E31 WeakPolarHBondContact CD-OE2 3.37Å; K28-E31 IonicContact NZ-OE1 3.68Å; K28-E31 PolarHBondContact NZ-OE1 2.96Å; K28-E31 IonicContact NZ-OE2 3.61Å; K28-E31 PolarHBondContact NZ-OE2 2.82Å
29D65.6Low82.3Confident132 Ų13241.2 Ų41.271%0.70622%0.223SC*.THydrogen-bonded Turntrans-62.3134.3-176-59-37.8000111.1E31D29-E31 PolarHBondContact O-N 3.22Å; D29-E31 VanDerWaalsContact O-N 3.1Å
30C69.7Low82.1Confident44 Ų4443 Ų4330%0.29724%0.236SC..THydrogen-bonded Turntrans65.33.7173.5-56.90000116.9K28 D32 P52K28-C30 PolarHBondContact O-N 3.44Å; C30-D32 PolarHBondContact O-N 3.31Å; C30-P52 HydrophobicContact CB-CG 4.22Å; C30-P52 WeakPolarHBondContact O-CD 3.17Å
31E81.3Confident81.8Confident16 Ų1645.3 Ų45.38%0.07525%0.245CC..  trans-73.955.5167.8-67-169.1-169.200110.7K28 D29 Y106K28-E31 HydrophobicContact CB-CB 4.43Å; K28-E31 HydrophobicContact CB-CG 4.16Å; K28-E31 HydrophobicContact CD-CG 4.39Å; K28-E31 WeakPolarHBondContact CD-OE1 3.46Å; K28-E31 WeakPolarHBondContact CD-OE2 3.37Å; K28-E31 IonicContact NZ-OE1 3.68Å; K28-E31 PolarHBondContact NZ-OE1 2.96Å; K28-E31 IonicContact NZ-OE2 3.61Å; K28-E31 PolarHBondContact NZ-OE2 2.82Å; D29-E31 PolarHBondContact O-N 3.22Å; D29-E31 VanDerWaalsContact O-N 3.1Å; E31-Y106 HydrophobicContact CG-CD1 3.87Å; E31-Y106 HydrophobicContact CG-CE1 4.17Å; E31-Y106 WeakPolarHBondContact OE1-CD1 3.45Å
32D87.1Confident81.7Confident0 Ų046.8 Ų46.80%025%0.253CS..  trans-79.2135.3-173.5-58.2-27.5000111K22 T23 D24 C30 A48 S50 H51 Y163 R170K22-D32 WeakPolarHBondContact O-CA 2.91Å; T23-D32 WeakPolarHBondContact CA-OD1 3.21Å; T23-D32 VanDerWaalsContact CB-OD1 3.31Å; T23-D32 WeakPolarHBondContact CB-OD1 3.49Å; T23-D32 HydrophobicContact CG2-CB 4.5Å; T23-D32 WeakPolarHBondContact CG2-OD1 3.12Å; D24-D32 PolarHBondContact N-OD1 3Å; C30-D32 PolarHBondContact O-N 3.31Å; D32-A48 HydrophobicContact CB-CB 3.77Å; D32-A48 VanDerWaalsContact O-CB 3.27Å; D32-A48 WeakPolarHBondContact O-CB 3.28Å; D32-A48 PolarHBondContact O-N 2.91Å; D32-A48 VanDerWaalsContact O-N 3.16Å; D32-S50 WeakPolarHBondContact CB-OG 3.49Å; D32-S50 PolarHBondContact OD2-OG 2.68Å; D32-H51 PolarHBondContact O-CD2 2.9Å; D32-H51 VanDerWaalsContact O-CD2 3.28Å; D32-Y163 HydrophobicContact CB-CE2 3.96Å; D32-R170 IonicContact OD1-CZ 3.39Å; D32-R170 IonicContact OD1-NH1 3.63Å; D32-R170 PolarHBondContact OD1-NH1 3.24Å; D32-R170 IonicContact OD1-NH2 2.79Å; D32-R170 PolarHBondContact OD1-NH2 3.08Å; D32-R170 IonicContact OD2-CZ 3.33Å; D32-R170 IonicContact OD2-NH1 3.1Å; D32-R170 PolarHBondContact OD2-NH1 3.01Å
33Q90.9Very high81.8Confident2 Ų245.1 Ų45.11%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-118.9149.9179.9-66.9-174.6-119.200111.4Y21 K22 I25 Y109 C111Y21-Q33 CarbonylContact C-O 3.53Å; Y21-Q33 WeakPolarHBondContact CA-O 3.4Å; K22-Q33 PolarHBondContact N-O 3.17Å; K22-Q33 PolarHBondContact O-N 3.11Å; I25-Q33 HydrophobicContact CD1-CB 3.85Å; I25-Q33 VanDerWaalsContact CD1-CD 3.46Å; I25-Q33 HydrophobicContact CD1-CG 3.54Å; Q33-Y109 PolarHBondContact NE2-O 2.85Å; Q33-C111 PolarHBondContact NE2-SG 3.45Å
34C91.8Very high82.2Confident4 Ų444.6 Ų44.63%0.02724%0.242CC..EExtended strand (participates in β ladder)trans-111.1137.1177.7-179.70000110.3W20 Y21 T46 A48W20-C34 CarbonylContact O-C 3.52Å; W20-C34 WeakPolarHBondContact O-CA 3.17Å; Y21-C34 HydrophobicContact CD1-CB 3.97Å; Y21-C34 HydrophobicContact CE1-CB 3.85Å; C34-T46 HydrophobicContact CB-CG2 3.78Å; C34-T46 PolarHBondContact N-O 3.43Å; C34-T46 PolarHBondContact O-N 3Å; C34-T46 VanDerWaalsContact O-O 3.07Å; C34-A48 HydrophobicContact CB-CB 4.3Å
35V92.2Very high82.9Confident1 Ų142 Ų421%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-118.3111.6177.1-176.60000107.7W20 C43 V44 I45 C111 I112 L157W20-V35 HydrophobicContact CB-CB 4.24Å; W20-V35 PolarHBondContact N-O 3.21Å; W20-V35 PolarHBondContact O-N 2.85Å; V35-C43 HydrophobicContact CG1-CB 3.98Å; V35-V44 CarbonylContact C-O 3.26Å; V35-V44 WeakPolarHBondContact CA-O 3.31Å; V35-I45 HydrophobicContact CB-CD1 4.33Å; V35-I45 HydrophobicContact CG1-CD1 3.95Å; V35-I45 HydrophobicContact CG2-CD1 3.82Å; V35-C111 HydrophobicContact CG2-CB 3.77Å; V35-I112 HydrophobicContact CG1-CD1 4.38Å; V35-I112 HydrophobicContact CG1-CG2 4.25Å; V35-I112 HydrophobicContact CG2-CG2 4.48Å; V35-L157 HydrophobicContact CB-CD1 4.07Å; V35-L157 HydrophobicContact CG1-CD1 4.33Å; V35-L157 HydrophobicContact CG2-CD1 4.06Å
36L91.3Very high83.8Confident2 Ų241.7 Ų41.71%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-90.5108.7174.9-52.9177.7000108.8Y17 R19 C43 V44 T46Y17-L36 HydrophobicContact CD1-CB 3.65Å; Y17-L36 HydrophobicContact CE1-CB 4.36Å; Y17-L36 HydrophobicContact CG-CB 4.31Å; R19-L36 HydrophobicContact CB-CD2 4.28Å; R19-L36 HydrophobicContact CG-CD2 3.58Å; L36-C43 CarbonylContact O-C 3.55Å; L36-C43 WeakPolarHBondContact O-CA 3.18Å; L36-V44 HydrophobicContact CB-CB 4.21Å; L36-V44 PolarHBondContact N-O 3.3Å; L36-V44 PolarHBondContact O-N 3.05Å; L36-T46 HydrophobicContact CD1-CG2 4.47Å; L36-T46 HydrophobicContact CG-CG2 4.41Å
37Q91.1Very high85Confident23 Ų2335.2 Ų35.211%0.10720%0.199CC..EExtended strand (participates in β ladder)trans-92.3114176.9-176.3179.244.300110.5Y17 T18 S150Y17-Q37 CarbonylContact C-O 3.57Å; Y17-Q37 VanDerWaalsContact CA-O 3.26Å; Y17-Q37 WeakPolarHBondContact CA-O 3.4Å; T18-Q37 PolarHBondContact N-O 3.47Å; T18-Q37 PolarHBondContact O-N 3.46Å; Q37-S150 PolarHBondContact NE2-O 3.32Å
38H90.4Very high86.3Confident36 Ų3632.2 Ų32.217%0.16717%0.168CC..EExtended strand (participates in β ladder)trans-76.1156.3175.5-170.2-100.9000111.8Y16 Y17 N40 R41 I42Y16-H38 WeakPolarHBondContact CB-NE2 3.41Å; Y16-H38 CarbonylContact O-C 3.51Å; Y16-H38 VanDerWaalsContact O-CA 3.26Å; Y16-H38 WeakPolarHBondContact O-CA 3.36Å; Y16-H38 PolarHBondContact O-CD2 3.23Å; Y17-H38 HydrophobicContact CD1-CB 3.8Å; Y17-H38 AromaticContact CD2-CD2 3.84Å; Y17-H38 HydrophobicContact CE1-CB 3.58Å; Y17-H38 AromaticContact CE1-CD2 3.88Å; Y17-H38 AromaticContact CE2-CD2 3.46Å; Y17-H38 VanDerWaalsContact CE2-CD2 3.46Å; Y17-H38 WeakPolarHBondContact CE2-CD2 3.28Å; Y17-H38 HydrophobicContact CG-CB 4.48Å; Y17-H38 AromaticContact CZ-CD2 3.48Å; Y17-H38 VanDerWaalsContact CZ-CD2 3.48Å; H38-N40 WeakPolarHBondContact CB-OD1 3.44Å; H38-N40 PolarHBondContact ND1-N 3.34Å; H38-N40 VanDerWaalsContact ND1-N 3.18Å; H38-N40 PolarHBondContact ND1-ND2 2.8Å; H38-N40 PolarHBondContact ND1-OD1 3.38Å; H38-N40 PolarHBondContact O-N 2.87Å; H38-N40 VanDerWaalsContact O-N 3.12Å; H38-R41 WeakPolarHBondContact O-CA 3.47Å; H38-R41 PolarHBondContact O-N 2.82Å; H38-I42 PolarHBondContact N-O 2.99Å
39S84.2Confident87.1Confident82 Ų8234 Ų3457%0.57318%0.177SC*.THydrogen-bonded Turntrans-53.5-30.5175.559.20000114.5Y16 R41Y16-S39 PolarHBondContact O-N 2.82Å; S39-R41 PolarHBondContact O-N 3.41Å
40N86.4Confident87.9Confident89 Ų8928.6 Ų28.648%0.47615%0.151SC..THydrogen-bonded Turntrans-80.610.6173.972.71000114.4H38 I42H38-N40 WeakPolarHBondContact CB-OD1 3.44Å; H38-N40 PolarHBondContact ND1-N 3.34Å; H38-N40 VanDerWaalsContact ND1-N 3.18Å; H38-N40 PolarHBondContact ND1-ND2 2.8Å; H38-N40 PolarHBondContact ND1-OD1 3.38Å; H38-N40 PolarHBondContact O-N 2.87Å; H38-N40 VanDerWaalsContact O-N 3.12Å; N40-I42 PolarHBondContact O-N 3.34Å; N40-I42 VanDerWaalsContact OD1-CB 3.32Å; N40-I42 WeakPolarHBondContact OD1-CB 3.33Å; N40-I42 WeakPolarHBondContact OD1-CG1 3.4Å; N40-I42 PolarHBondContact OD1-N 3.47Å
41R86.2Confident88.6Confident103 Ų10326.6 Ų26.639%0.38914%0.137SC..SBendtrans68.97.6-179.3-48.3-57.2-175.7104.4-11.6116.1H38 S39 P145 S150H38-R41 WeakPolarHBondContact O-CA 3.47Å; H38-R41 PolarHBondContact O-N 2.82Å; S39-R41 PolarHBondContact O-N 3.41Å; R41-P145 VanDerWaalsContact O-CD 3.27Å; R41-P145 WeakPolarHBondContact O-CD 3.12Å; R41-S150 PolarHBondContact NH1-OG 3.48Å
42I90.1Very high88.5Confident39 Ų3926.7 Ų26.720%0.214%0.139CC..  trans-72.2141.1167.8-63.9177000108.8H38 N40 L117 V142 L144H38-I42 PolarHBondContact N-O 2.99Å; N40-I42 PolarHBondContact O-N 3.34Å; N40-I42 VanDerWaalsContact OD1-CB 3.32Å; N40-I42 WeakPolarHBondContact OD1-CB 3.33Å; N40-I42 WeakPolarHBondContact OD1-CG1 3.4Å; N40-I42 PolarHBondContact OD1-N 3.47Å; I42-L117 HydrophobicContact CD1-CD1 4.31Å; I42-V142 HydrophobicContact CG2-CG1 3.21Å; I42-L144 HydrophobicContact CG1-CD1 3.83Å
43C91.6Very high88.3Confident1 Ų126.7 Ų26.71%0.00714%0.139CC..EExtended strand (participates in β ladder)trans-114.6131.8177.3-68.60000109.9V35 L36 I112 I143V35-C43 HydrophobicContact CG1-CB 3.98Å; L36-C43 CarbonylContact O-C 3.55Å; L36-C43 WeakPolarHBondContact O-CA 3.18Å; C43-I112 HydrophobicContact CB-CD1 3.2Å; C43-I143 PolarHBondContact N-O 2.82Å; C43-I143 PolarHBondContact O-N 2.71Å
44V92.4Very high87.8Confident15 Ų1528.4 Ų28.49%0.09115%0.148CC..EExtended strand (participates in β ladder)trans-108.7127.6175.9-177.30000108Y17 V35 L36 Y139 V142Y17-V44 HydrophobicContact CE1-CG2 3.97Å; V35-V44 CarbonylContact C-O 3.26Å; V35-V44 WeakPolarHBondContact CA-O 3.31Å; L36-V44 HydrophobicContact CB-CB 4.21Å; L36-V44 PolarHBondContact N-O 3.3Å; L36-V44 PolarHBondContact O-N 3.05Å; V44-Y139 VanDerWaalsContact CG1-CB 3.42Å; V44-Y139 HydrophobicContact CG1-CD2 4.12Å; V44-Y139 HydrophobicContact CG1-CG 3.98Å; V44-V142 HydrophobicContact CG2-CG2 4.38Å
45I92.6Very high87.2Confident0 Ų034.3 Ų34.30%018%0.175CC..EExtended strand (participates in β ladder)trans-96.2131-179.7-49.4-55.6000109.1V35 L95 S110 I112 I140 A141 I143V35-I45 HydrophobicContact CB-CD1 4.33Å; V35-I45 HydrophobicContact CG1-CD1 3.95Å; V35-I45 HydrophobicContact CG2-CD1 3.82Å; I45-L95 HydrophobicContact CB-CD1 4.15Å; I45-L95 HydrophobicContact CG1-CD1 4.17Å; I45-L95 HydrophobicContact CG2-CD1 3.95Å; I45-S110 WeakPolarHBondContact CD1-O 3.46Å; I45-I112 HydrophobicContact CD1-CD1 4.17Å; I45-I112 HydrophobicContact CD1-CG1 4.03Å; I45-I140 WeakPolarHBondContact O-CB 3.36Å; I45-I140 PolarHBondContact O-N 3.03Å; I45-A141 PolarHBondContact N-O 2.81Å; I45-I143 HydrophobicContact CD1-CD1 4.11Å; I45-I143 HydrophobicContact CG1-CD1 3.64Å; I45-I143 HydrophobicContact CG1-CG1 4.14Å
46T91.6Very high86.3Confident0 Ų039.1 Ų39.10%020%0.201CC..EExtended strand (participates in β ladder)trans-147.3175.9177.1-167.50000111.4C34 L36 P134C34-T46 HydrophobicContact CB-CG2 3.78Å; C34-T46 PolarHBondContact N-O 3.43Å; C34-T46 PolarHBondContact O-N 3Å; C34-T46 VanDerWaalsContact O-O 3.07Å; L36-T46 HydrophobicContact CD1-CG2 4.47Å; L36-T46 HydrophobicContact CG-CG2 4.41Å; T46-P134 VanDerWaalsContact CB-O 3.29Å; T46-P134 WeakPolarHBondContact CB-O 3.46Å; T46-P134 VanDerWaalsContact OG1-C 3.23Å; T46-P134 WeakPolarHBondContact OG1-CB 3.5Å; T46-P134 PolarHBondContact OG1-O 3.17Å
47L90Very high85.3Confident5 Ų542 Ų423%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-77.3144174.9-61.7-179.4000110.6H51 I53 L54 I108 L130 I140L47-H51 HydrophobicContact CB-CB 4.37Å; L47-I53 HydrophobicContact CD1-CB 4.18Å; L47-I53 HydrophobicContact CD1-CD1 4.06Å; L47-I53 HydrophobicContact CD1-CG2 4.06Å; L47-L54 HydrophobicContact CB-CD1 4.17Å; L47-I108 HydrophobicContact CD2-CD1 3.5Å; L47-I108 HydrophobicContact CD2-CG1 4.28Å; L47-L130 HydrophobicContact CD1-CD1 4.09Å; L47-L130 HydrophobicContact CD1-CD2 3.9Å; L47-L130 HydrophobicContact CD1-CG 3.86Å; L47-L130 HydrophobicContact CG-CD1 4.13Å; L47-L130 HydrophobicContact CG-CG 4.45Å; L47-I140 HydrophobicContact CD2-CD1 4.05Å; L47-I140 HydrophobicContact CG-CD1 4.15Å
48A88.7Confident84.8Confident1 Ų143.4 Ų43.41%0.00824%0.235CC..  trans-79.9154169.800000110.4Y21 D32 C34 S50 H51 L54 Y163Y21-A48 HydrophobicContact CD1-CB 3.92Å; Y21-A48 HydrophobicContact CE1-CB 4.2Å; D32-A48 HydrophobicContact CB-CB 3.77Å; D32-A48 VanDerWaalsContact O-CB 3.27Å; D32-A48 WeakPolarHBondContact O-CB 3.28Å; D32-A48 PolarHBondContact O-N 2.91Å; D32-A48 VanDerWaalsContact O-N 3.16Å; C34-A48 HydrophobicContact CB-CB 4.3Å; A48-S50 PolarHBondContact O-N 3.1Å; A48-S50 VanDerWaalsContact O-N 3.16Å; A48-H51 WeakPolarHBondContact O-CB 3.42Å; A48-H51 PolarHBondContact O-N 3.09Å; A48-L54 WeakPolarHBondContact O-CD1 3.33Å; A48-Y163 HydrophobicContact CB-CE2 4.39Å; A48-Y163 VanDerWaalsContact CB-OH 3.29Å; A48-Y163 WeakPolarHBondContact CB-OH 3.3Å
49E83.2Confident84.4Confident118 Ų11845.1 Ų45.155%0.55125%0.251SS*.THydrogen-bonded Turntrans-62-25.1-175.8-63.2175.9166.700113.5H51 Q55E49-H51 VanDerWaalsContact C-N 3.29Å; E49-Q55 PolarHBondContact O-NE2 3.43Å
50S82.6Confident84.5Confident20 Ų2042 Ų4214%0.1423%0.228CC..THydrogen-bonded Turntrans-79.1-11.8176.470.90000113D32 A48 Q55 Y163D32-S50 WeakPolarHBondContact CB-OG 3.49Å; D32-S50 PolarHBondContact OD2-OG 2.68Å; A48-S50 PolarHBondContact O-N 3.1Å; A48-S50 VanDerWaalsContact O-N 3.16Å; S50-Q55 WeakPolarHBondContact O-CG 3.45Å; S50-Y163 WeakPolarHBondContact CB-OH 3.37Å; S50-Y163 PolarHBondContact N-OH 3.13Å; S50-Y163 PolarHBondContact OG-OH 3.46Å
51H84.4Confident84.6Confident1 Ų145 Ų451%0.00524%0.236CC..SBendtrans-60.7134.5-170-169.1-77.5000109.6D32 L47 A48 E49 I53 L54 Q55 Y106D32-H51 PolarHBondContact O-CD2 2.9Å; D32-H51 VanDerWaalsContact O-CD2 3.28Å; L47-H51 HydrophobicContact CB-CB 4.37Å; A48-H51 WeakPolarHBondContact O-CB 3.42Å; A48-H51 PolarHBondContact O-N 3.09Å; E49-H51 VanDerWaalsContact C-N 3.29Å; H51-I53 WeakPolarHBondContact CE1-CD1 3.38Å; H51-I53 VanDerWaalsContact CE1-CG1 3.46Å; H51-I53 WeakPolarHBondContact CE1-CG1 3.29Å; H51-I53 WeakPolarHBondContact ND1-CB 3.42Å; H51-I53 WeakPolarHBondContact ND1-CG1 3Å; H51-I53 PolarHBondContact ND1-N 3.02Å; H51-I53 PolarHBondContact O-N 3.23Å; H51-L54 PolarHBondContact O-N 3.31Å; H51-Q55 PolarHBondContact O-N 3.04Å; H51-Y106 AromaticContact CE1-CD1 3.79Å; H51-Y106 AromaticContact CE1-CG 3.88Å
52P80.3Confident84.6Confident18 Ų1842.8 Ų42.812%0.11724%0.237CC..Hα-helixtrans-52.9-31.6-175-30.831.6000114.8C30 L54 N56 Y106C30-P52 HydrophobicContact CB-CG 4.22Å; C30-P52 WeakPolarHBondContact O-CD 3.17Å; P52-L54 VanDerWaalsContact C-N 3.29Å; P52-L54 PolarHBondContact O-N 3.04Å; P52-N56 VanDerWaalsContact O-CB 3.29Å; P52-N56 WeakPolarHBondContact O-CB 3.25Å; P52-N56 PolarHBondContact O-N 2.87Å; P52-Y106 HydrophobicContact CB-CE1 4.28Å; P52-Y106 WeakPolarHBondContact CB-OH 3.36Å; P52-Y106 HydrophobicContact CG-CE1 4.34Å
53I82.5Confident84.4Confident0 Ų041.7 Ų41.70%023%0.231CC..Hα-helixtrans-56.5-42.9173.9-66171.3000111.3L47 H51 R58 I60 I98 Y106 L131L47-I53 HydrophobicContact CD1-CB 4.18Å; L47-I53 HydrophobicContact CD1-CD1 4.06Å; L47-I53 HydrophobicContact CD1-CG2 4.06Å; H51-I53 WeakPolarHBondContact CE1-CD1 3.38Å; H51-I53 VanDerWaalsContact CE1-CG1 3.46Å; H51-I53 WeakPolarHBondContact CE1-CG1 3.29Å; H51-I53 WeakPolarHBondContact ND1-CB 3.42Å; H51-I53 WeakPolarHBondContact ND1-CG1 3Å; H51-I53 PolarHBondContact ND1-N 3.02Å; H51-I53 PolarHBondContact O-N 3.23Å; I53-R58 PolarHBondContact O-N 3.37Å; I53-I60 HydrophobicContact CG2-CD1 4.19Å; I53-I60 HydrophobicContact CG2-CG1 4.18Å; I53-I98 HydrophobicContact CD1-CB 4.12Å; I53-I98 HydrophobicContact CD1-CD1 3.75Å; I53-I98 HydrophobicContact CD1-CG2 3.92Å; I53-Y106 HydrophobicContact CD1-CD2 3.67Å; I53-Y106 HydrophobicContact CD1-CE2 4.45Å; I53-Y106 HydrophobicContact CD1-CG 3.89Å; I53-Y106 HydrophobicContact CG1-CD2 3.51Å; I53-Y106 HydrophobicContact CG1-CE2 3.79Å; I53-Y106 HydrophobicContact CG1-CG 4.08Å; I53-L131 HydrophobicContact CG2-CD2 3.46Å; I53-L131 VanDerWaalsContact CG2-CD2 3.46Å
54L80.4Confident84Confident39 Ų3945 Ų4520%0.20425%0.249CC..Hα-helixtrans-82.7-45.8179.9-63.9180000111.8L47 A48 H51 P52 G57 L131 P134L47-L54 HydrophobicContact CB-CD1 4.17Å; A48-L54 WeakPolarHBondContact O-CD1 3.33Å; H51-L54 PolarHBondContact O-N 3.31Å; P52-L54 VanDerWaalsContact C-N 3.29Å; P52-L54 PolarHBondContact O-N 3.04Å; L54-G57 PolarHBondContact O-N 2.79Å; L54-L131 HydrophobicContact CD2-CB 4.37Å; L54-L131 HydrophobicContact CD2-CD2 3.79Å; L54-P134 HydrophobicContact CD1-CG 4.49Å
55Q78.5Confident83.4Confident128 Ų12844.3 Ų44.360%0.59825%0.245SC*.Hα-helixtrans-68.1-39.7-174.9-73.2-66.2-35.800113.4E49 S50 H51 G57E49-Q55 PolarHBondContact O-NE2 3.43Å; S50-Q55 WeakPolarHBondContact O-CG 3.45Å; H51-Q55 PolarHBondContact O-N 3.04Å; Q55-G57 PolarHBondContact O-N 2.84Å
56N74.8Confident82.4Confident102 Ų10249.1 Ų49.155%0.54527%0.267SS..THydrogen-bonded Turntrans-88.89.1-174.9-62.619.7000112.3P52 R58P52-N56 VanDerWaalsContact O-CB 3.29Å; P52-N56 WeakPolarHBondContact O-CB 3.25Å; P52-N56 PolarHBondContact O-N 2.87Å; N56-R58 HydrophobicContact CB-CG 3.91Å; N56-R58 PolarHBondContact O-N 2.9Å; N56-R58 VanDerWaalsContact O-N 3.14Å
57G69.5Low81.3Confident62 Ų6251.6 Ų51.664%0.63928%0.28SS*.THydrogen-bonded Turntrans56.829.9-179.400000113.3L54 Q55L54-G57 PolarHBondContact O-N 2.79Å; Q55-G57 PolarHBondContact O-N 2.84Å
58R79.4Confident79.7Confident52 Ų5254.6 Ų54.620%0.19630%0.302CS..PPolyproline II helixtrans-73.8132.9-172.1-71-176.1-174.1179.112.9110.6I53 N56 D102 Y106I53-R58 PolarHBondContact O-N 3.37Å; N56-R58 HydrophobicContact CB-CG 3.91Å; N56-R58 PolarHBondContact O-N 2.9Å; N56-R58 VanDerWaalsContact O-N 3.14Å; R58-D102 VanDerWaalsContact CD-OD2 3.28Å; R58-D102 WeakPolarHBondContact CD-OD2 3.47Å; R58-D102 IonicContact CZ-OD2 2.89Å; R58-D102 IonicContact NE-OD2 3.03Å; R58-D102 PolarHBondContact NE-OD2 3.4Å; R58-D102 VanDerWaalsContact NE-OD2 3.1Å; R58-D102 IonicContact NH1-OD2 2.7Å; R58-D102 PolarHBondContact NH1-OD2 2.86Å; R58-D102 IonicContact NH2-OD2 2.75Å; R58-Y106 PolarHBondContact NH1-OH 3.47Å
59S83.2Confident77.8Confident73 Ų7359.4 Ų59.451%0.5134%0.341SS..PPolyproline II helixtrans-76.3129.3169.8-51.80000109.9T101S59-T101 WeakPolarHBondContact O-CG2 3.36Å; S59-T101 PolarHBondContact O-N 3.21Å; S59-T101 PolarHBondContact O-OG1 2.93Å; S59-T101 VanDerWaalsContact O-OG1 3.05Å
60I86.7Confident76.3Confident16 Ų1657.6 Ų57.68%0.08235%0.354CS..EExtended strand (participates in β ladder)trans-77.7128.1174.7-62.5162.7000108.1I53 I63 I98 P127 L130 L131I53-I60 HydrophobicContact CG2-CD1 4.19Å; I53-I60 HydrophobicContact CG2-CG1 4.18Å; I60-I63 HydrophobicContact CG2-CD1 4.18Å; I60-I63 HydrophobicContact CG2-CG1 3.66Å; I60-I98 HydrophobicContact CB-CG2 4.4Å; I60-I98 HydrophobicContact CD1-CG2 4.31Å; I60-I98 HydrophobicContact CG1-CG2 3.91Å; I60-I98 HydrophobicContact CG2-CG2 3.73Å; I60-P127 HydrophobicContact CB-CB 3.85Å; I60-P127 HydrophobicContact CD1-CB 4.18Å; I60-P127 HydrophobicContact CG2-CB 3.85Å; I60-L130 HydrophobicContact CD1-CB 4.25Å; I60-L130 HydrophobicContact CD1-CD2 3.79Å; I60-L130 HydrophobicContact CD1-CG 4.38Å; I60-L131 HydrophobicContact CD1-CD1 4.42Å; I60-L131 HydrophobicContact CD1-CD2 3.9Å; I60-L131 HydrophobicContact CD1-CG 3.99Å; I60-L131 HydrophobicContact CG1-CD2 4.43Å
61K87.6Confident74.7Confident151 Ų15158.4 Ų58.466%0.65736%0.359SS*.EExtended strand (participates in β ladder)trans-86.1-44.2176.9-178.3178.4179.7177.70111.4T99 T101K61-T99 WeakPolarHBondContact CA-O 3.09Å; K61-T99 WeakPolarHBondContact CB-O 3.27Å; K61-T99 PolarHBondContact N-O 2.88Å; K61-T101 HydrophobicContact CB-CG2 4.06Å
62S85.7Confident73.4Confident57 Ų5759.3 Ų59.340%0.39937%0.366SS..EExtended strand (participates in β ladder)trans-159.1148.8179.756.60000111T99S62-T99 PolarHBondContact N-O 3.04Å; S62-T99 VanDerWaalsContact N-O 3.17Å; S62-T99 PolarHBondContact O-N 3.37Å
63I86.6Confident72.4Confident16 Ų1659.5 Ų59.58%0.08236%0.364CS..EExtended strand (participates in β ladder)trans-116.4135.3171.2-56.5-179.6000107.4I60 Y65 C96 R97 I98 I123 L124 P127 L130I60-I63 HydrophobicContact CG2-CD1 4.18Å; I60-I63 HydrophobicContact CG2-CG1 3.66Å; I63-Y65 HydrophobicContact CG2-CD2 4.48Å; I63-Y65 HydrophobicContact CG2-CE2 4.08Å; I63-C96 HydrophobicContact CG2-CB 4.07Å; I63-R97 CarbonylContact C-O 3.59Å; I63-R97 WeakPolarHBondContact CA-O 3.46Å; I63-I98 HydrophobicContact CG1-CG1 4.24Å; I63-I98 HydrophobicContact CG1-CG2 4.3Å; I63-I98 HydrophobicContact CG2-CG1 4.33Å; I63-I123 HydrophobicContact CD1-CB 4Å; I63-I123 HydrophobicContact CD1-CD1 3.61Å; I63-I123 HydrophobicContact CD1-CG1 3.79Å; I63-I123 HydrophobicContact CG2-CD1 4.27Å; I63-L124 HydrophobicContact CB-CD2 3.86Å; I63-L124 HydrophobicContact CG2-CD2 4.1Å; I63-L124 WeakPolarHBondContact O-CD2 3.29Å; I63-P127 HydrophobicContact CD1-CB 4.45Å; I63-L130 HydrophobicContact CD1-CD2 3.96Å
64N83.8Confident71.1Confident70 Ų7062.5 Ų62.537%0.37438%0.38SS..EExtended strand (participates in β ladder)trans-128.2114.9-177-167.5-22.8000111Q66 C96 R97N64-Q66 WeakPolarHBondContact OD1-CA 3.09Å; N64-Q66 WeakPolarHBondContact OD1-CB 2.98Å; N64-Q66 PolarHBondContact OD1-N 3.16Å; N64-C96 CarbonylContact O-C 3.51Å; N64-C96 WeakPolarHBondContact O-CA 3.35Å; N64-C96 WeakPolarHBondContact O-CB 3.17Å; N64-R97 PolarHBondContact N-O 2.78Å; N64-R97 PolarHBondContact O-N 2.61Å
65Y79.9Confident69.9Low1 Ų168.1 Ų68.10%0.00441%0.405CS..  trans-88.4-2175.8-75-76.9000113.9I63 I67 R73 L74 L95 C96 V119 N120 I123 L124 I140I63-Y65 HydrophobicContact CG2-CD2 4.48Å; I63-Y65 HydrophobicContact CG2-CE2 4.08Å; Y65-I67 PolarHBondContact O-N 2.95Å; Y65-R73 PolarHBondContact O-N 3.45Å; Y65-L74 HydrophobicContact CD2-CD2 4.14Å; Y65-L74 HydrophobicContact CG-CD2 4.33Å; Y65-L95 WeakPolarHBondContact CD1-O 3.27Å; Y65-C96 HydrophobicContact CD1-CB 3.57Å; Y65-C96 HydrophobicContact CE1-CB 3.66Å; Y65-C96 HydrophobicContact CG-CB 4.09Å; Y65-V119 HydrophobicContact CD1-CB 4.03Å; Y65-V119 HydrophobicContact CD1-CG1 4.01Å; Y65-V119 HydrophobicContact CD1-CG2 4.49Å; Y65-V119 HydrophobicContact CE1-CB 3.77Å; Y65-V119 HydrophobicContact CE1-CG1 3.95Å; Y65-N120 VanDerWaalsContact CE2-O 3.27Å; Y65-N120 WeakPolarHBondContact CE2-O 3.34Å; Y65-N120 PolarHBondContact OH-O 2.87Å; Y65-N120 VanDerWaalsContact OH-O 3.04Å; Y65-I123 HydrophobicContact CE2-CD1 4.38Å; Y65-I123 HydrophobicContact CE2-CG1 4.28Å; Y65-I123 WeakPolarHBondContact OH-CD1 3.44Å; Y65-L124 HydrophobicContact CD2-CD1 4.21Å; Y65-L124 HydrophobicContact CD2-CD2 3.76Å; Y65-L124 HydrophobicContact CD2-CG 4.2Å; Y65-L124 HydrophobicContact CE2-CD2 3.84Å; Y65-L124 HydrophobicContact CE2-CG 4.14Å; Y65-I140 HydrophobicContact CE1-CG2 4.05Å; Y65-I140 PolarHBondContact OH-O 2.81Å
66Q71.3Confident68.9Low102 Ų10262.9 Ų62.948%0.47738%0.381SS..EExtended strand (participates in β ladder)trans-87.298173.9-171.7177.2-3.100109.8N64N64-Q66 WeakPolarHBondContact OD1-CA 3.09Å; N64-Q66 WeakPolarHBondContact OD1-CB 2.98Å; N64-Q66 PolarHBondContact OD1-N 3.16Å
67I68.5Low67.9Low51 Ų5168.3 Ų68.326%0.26239%0.394SS..EExtended strand (participates in β ladder)trans-81-34.5-178.3-59.2-49000111.8Y65 C71 P94Y65-I67 PolarHBondContact O-N 2.95Å; I67-C71 PolarHBondContact N-O 2.87Å; I67-P94 HydrophobicContact CB-CG 4.34Å; I67-P94 HydrophobicContact CD1-CB 3.98Å; I67-P94 HydrophobicContact CD1-CG 4.49Å; I67-P94 HydrophobicContact CG1-CB 4.16Å; I67-P94 HydrophobicContact CG1-CG 4.19Å; I67-P94 HydrophobicContact CG2-CB 3.95Å; I67-P94 HydrophobicContact CG2-CG 3.26Å
68S57.1Low67.1Low69 Ų6967.5 Ų67.548%0.48338%0.376SS..EExtended strand (participates in β ladder)trans-146.1158.6179.9-177.70000111.4G70 C71S68-G70 PolarHBondContact O-N 3.5Å; S68-C71 PolarHBondContact N-O 2.8Å; S68-C71 CarbonylContact O-C 3.57Å; S68-C71 PolarHBondContact O-N 2.98Å
69A48.9Very low65.4Low102 Ų10268.4 Ų68.484%0.84339%0.39SS*.THydrogen-bonded Turntrans-57.2-17.3-177.300000114.2
70G51.2Low63.6Low79 Ų7967.9 Ų67.981%0.81440%0.397SS*.THydrogen-bonded Turntrans-119.97.9172.700000115.3S68S68-G70 PolarHBondContact O-N 3.5Å
71C47.9Very low61.8Low37 Ų3777.9 Ų77.925%0.2544%0.44CS..EExtended strand (participates in β ladder)trans-139.786.1-177-168.50000110.4I67 S68I67-C71 PolarHBondContact N-O 2.87Å; S68-C71 PolarHBondContact N-O 2.8Å; S68-C71 CarbonylContact O-C 3.57Å; S68-C71 PolarHBondContact O-N 2.98Å
72S57.5Low60Low20 Ų2074.8 Ų74.814%0.1444%0.437CS..EExtended strand (participates in β ladder)trans-96.2124.6166.6174.70000108.9L74 H75S72-L74 PolarHBondContact O-N 3.28Å; S72-L74 PolarHBondContact OG-N 2.79Å; S72-H75 PolarHBondContact O-N 3.28Å
73R59.5Low58.6Low22 Ų2275.3 Ų75.38%0.08343%0.432CS..G310 helixtrans-67.9-18.6178.2-59-59.1-168.9-168-2112.3Y65 H75 N76 P94 L116 V119Y65-R73 PolarHBondContact O-N 3.45Å; R73-H75 VanDerWaalsContact C-N 3.27Å; R73-H75 PolarHBondContact O-N 3.46Å; R73-N76 WeakPolarHBondContact O-CB 3.29Å; R73-N76 PolarHBondContact O-N 3.46Å; R73-P94 PolarHBondContact NE-O 2.81Å; R73-P94 PolarHBondContact NH2-O 3.29Å; R73-L116 HydrophobicContact CB-CD2 3.99Å; R73-L116 HydrophobicContact CG-CD2 4.28Å; R73-V119 HydrophobicContact CB-CG1 4.12Å
74L56.2Low56.8Low64 Ų6484.3 Ų84.334%0.33547%0.465SS..G310 helixtrans-67-28.5176.4-62.6167.6000112.2Y65 S72 N76 V119 E121 L124Y65-L74 HydrophobicContact CD2-CD2 4.14Å; Y65-L74 HydrophobicContact CG-CD2 4.33Å; S72-L74 PolarHBondContact O-N 3.28Å; S72-L74 PolarHBondContact OG-N 2.79Å; L74-N76 PolarHBondContact O-N 3.4Å; L74-V119 HydrophobicContact CD2-CG2 3.98Å; L74-E121 HydrophobicContact CD2-CG 3.72Å; L74-L124 HydrophobicContact CD2-CD1 4.3Å
75H53.8Low55.4Low157 Ų15783.7 Ų83.773%0.72748%0.475SS*.G310 helixtrans-8415.4176.3-65.9-96.4000113S72 R73 R77S72-H75 PolarHBondContact O-N 3.28Å; R73-H75 VanDerWaalsContact C-N 3.27Å; R73-H75 PolarHBondContact O-N 3.46Å; H75-R77 PolarHBondContact O-N 3.06Å
76N57.2Low54.6Low18 Ų1884.4 Ų84.410%0.09648%0.483CS..  trans-78.772.2179-167.645000110.9R73 L74 V78 G85 G86 Q87 L116R73-N76 WeakPolarHBondContact O-CB 3.29Å; R73-N76 PolarHBondContact O-N 3.46Å; L74-N76 PolarHBondContact O-N 3.4Å; N76-V78 PolarHBondContact O-N 2.95Å; N76-G85 PolarHBondContact OD1-O 3.11Å; N76-G86 WeakPolarHBondContact OD1-CA 3.49Å; N76-Q87 PolarHBondContact OD1-N 3.4Å; N76-L116 HydrophobicContact CB-CD2 4.27Å; N76-L116 WeakPolarHBondContact ND2-CB 3.33Å; N76-L116 WeakPolarHBondContact ND2-CG 3.38Å; N76-L116 PolarHBondContact ND2-O 2.89Å
77R53.6Low54.7Low215 Ų21582.1 Ų82.181%0.81147%0.472SS*.  trans-78.187.1179-164.2-179.9-175.5-158.52.3110.6H75 S79H75-R77 PolarHBondContact O-N 3.06Å; R77-S79 PolarHBondContact O-N 2.84Å
78V53.1Low55.4Low45 Ų4583.9 Ų83.927%0.27348%0.478SS..  trans-75.6115.2174.9-172.60000109.3N76 K83 L116N76-V78 PolarHBondContact O-N 2.95Å; V78-K83 HydrophobicContact CG1-CB 3.74Å; V78-K83 HydrophobicContact CG1-CG 4.27Å; V78-L116 WeakPolarHBondContact CG2-O 3.09Å
79S43.3Very low56.7Low71 Ų7180.7 Ų80.750%0.49746%0.456SS..BIsolated β-bridgetrans-134.1149.4178.4650000113.4R77 R84R77-S79 PolarHBondContact O-N 2.84Å; S79-R84 PolarHBondContact N-O 3.1Å; S79-R84 VanDerWaalsContact N-O 3.11Å; S79-R84 PolarHBondContact O-N 3.36Å; S79-R84 VanDerWaalsContact O-N 3.15Å
80G45.7Very low58.5Low63 Ų6379 Ų7965%0.64944%0.435SS*.THydrogen-bonded Turntrans84.7164.9175.300000116.2S82 K83G80-S82 PolarHBondContact O-N 3.37Å; G80-K83 PolarHBondContact O-N 3.36Å
81K50.5Low60.1Low225 Ų22577.6 Ų77.698%0.97841%0.407SS*.THydrogen-bonded Turntrans-56-22.4-176.7-73-179.8176.7175.70114.6
82S49.6Very low61.8Low86 Ų8680.8 Ų80.860%0.60142%0.417SS*.THydrogen-bonded Turntrans-101.79.5178.5-59.40000114.5G80 R84 R115G80-S82 PolarHBondContact O-N 3.37Å; S82-R84 PolarHBondContact O-N 3.37Å; S82-R115 PolarHBondContact O-NH1 3.33Å
83K56.6Low63.2Low69 Ų6980.2 Ų80.230%0.341%0.414SS..THydrogen-bonded Turntrans52.545.8-177.5-55.5179.5177.6-166.60110.9V78 G80 R115 L117 L144V78-K83 HydrophobicContact CG1-CB 3.74Å; V78-K83 HydrophobicContact CG1-CG 4.27Å; G80-K83 PolarHBondContact O-N 3.36Å; K83-R115 PolarHBondContact O-NH1 3.22Å; K83-R115 VanDerWaalsContact O-NH1 3.17Å; K83-L117 HydrophobicContact CD-CD2 3.83Å; K83-L144 HydrophobicContact CD-CD2 3.61Å
84R47Very low64.6Low205 Ų20580.8 Ų80.877%0.77442%0.42SS*.BIsolated β-bridgetrans-70.9133178.6-93.3-177169.6170.8-2.8107.8S79 S82S79-R84 PolarHBondContact N-O 3.1Å; S79-R84 VanDerWaalsContact N-O 3.11Å; S79-R84 PolarHBondContact O-N 3.36Å; S79-R84 VanDerWaalsContact O-N 3.15Å; S82-R84 PolarHBondContact O-N 3.37Å
85G55.2Low66.1Low57 Ų5777.8 Ų77.859%0.58840%0.404SS*.THydrogen-bonded Turntrans101.5-14-178.500000115.5N76 Q87N76-G85 PolarHBondContact OD1-O 3.11Å; G85-Q87 PolarHBondContact O-N 3.38Å
86G62.8Low67.7Low16 Ų1670.3 Ų70.317%0.16537%0.37CS..PPolyproline II helixtrans-69.2119.7177.900000112.9N76 F88N76-G86 WeakPolarHBondContact OD1-CA 3.49Å; G86-F88 PolarHBondContact O-N 3Å
87Q73.7Confident69.2Low53 Ų5374.1 Ų74.125%0.24838%0.383CS..PPolyproline II helixtrans-61128.5174.8-69.2179.5-7.900110.2N76 G85 L116N76-Q87 PolarHBondContact OD1-N 3.4Å; G85-Q87 PolarHBondContact O-N 3.38Å; Q87-L116 PolarHBondContact O-N 3.05Å
88F82.3Confident70.9Confident89 Ų8963.9 Ų63.939%0.3934%0.344SS..EExtended strand (participates in β ladder)trans-81124.5173.2-168-97.5000109.2G86 R113 R115 K146G86-F88 PolarHBondContact O-N 3Å; F88-R113 HydrophobicContact CZ-CB 4.42Å; F88-R115 HydrophobicContact CD2-CG 4.1Å; F88-K146 HydrophobicContact CE2-CG 4.4Å
89L85.9Confident72.7Confident1 Ų162.8 Ų62.81%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-101.9140.6179.8-58.7-177.1000110.3A93 L95 R113 G114 L116 I143L89-A93 HydrophobicContact CB-CB 4.06Å; L89-A93 HydrophobicContact CD2-CB 3.99Å; L89-L95 HydrophobicContact CD1-CD2 3.45Å; L89-L95 VanDerWaalsContact CD1-CD2 3.45Å; L89-R113 WeakPolarHBondContact O-CA 3.04Å; L89-G114 PolarHBondContact N-O 3.12Å; L89-G114 PolarHBondContact O-N 3.34Å; L89-G114 VanDerWaalsContact O-N 3.09Å; L89-L116 HydrophobicContact CD1-CB 3.77Å; L89-L116 HydrophobicContact CD1-CD1 4Å; L89-L116 HydrophobicContact CD1-CG 4.3Å; L89-L116 HydrophobicContact CG-CB 4.1Å; L89-I143 HydrophobicContact CD1-CD1 3.82Å; L89-I143 HydrophobicContact CD1-CG1 4.31Å
90T86.1Confident74.8Confident66 Ų6659.4 Ų59.441%0.40531%0.314SS..PPolyproline II helixtrans-90.1165.6164.457.70000109.7F92 A93 S110T90-F92 VanDerWaalsContact C-N 3.27Å; T90-F92 PolarHBondContact O-N 3.2Å; T90-A93 WeakPolarHBondContact O-CB 3.42Å; T90-A93 PolarHBondContact O-N 2.88Å; T90-S110 WeakPolarHBondContact O-CB 3.43Å
91E84.8Confident76.8Confident50 Ų5060.7 Ų60.723%0.23431%0.309CS..THydrogen-bonded Turntrans-51.9-43.8178.5168.9173.7-169.700113K22 A93 C111 R113K22-E91 WeakPolarHBondContact CE-OE1 3.2Å; K22-E91 IonicContact NZ-OE1 2.81Å; K22-E91 PolarHBondContact NZ-OE1 2.84Å; E91-A93 VanDerWaalsContact C-N 3.33Å; E91-A93 PolarHBondContact O-N 3.39Å; E91-C111 WeakPolarHBondContact CG-O 3.06Å; E91-C111 WeakPolarHBondContact O-CA 3.35Å; E91-C111 PolarHBondContact O-N 3.27Å; E91-R113 HydrophobicContact CB-CG 4.41Å
92F84.4Confident78.5Confident104 Ų10453.9 Ų53.946%0.45628%0.284SS..THydrogen-bonded Turntrans-94.117.5179.3-53.4-70.8000113.4K26 T90 P94 Y109K26-F92 HydrophobicContact CG-CD1 4.21Å; T90-F92 VanDerWaalsContact C-N 3.27Å; T90-F92 PolarHBondContact O-N 3.2Å; F92-P94 WeakPolarHBondContact O-CD 3.43Å; F92-Y109 VanDerWaalsContact O-CD1 3.26Å; F92-Y109 WeakPolarHBondContact O-CD1 3.46Å
93A86.7Confident80.1Confident9 Ų952.3 Ų52.37%0.07428%0.281CS..  trans-71.7122.4174.400000109.2L89 T90 E91 Y109 S110L89-A93 HydrophobicContact CB-CB 4.06Å; L89-A93 HydrophobicContact CD2-CB 3.99Å; T90-A93 WeakPolarHBondContact O-CB 3.42Å; T90-A93 PolarHBondContact O-N 2.88Å; E91-A93 VanDerWaalsContact C-N 3.33Å; E91-A93 PolarHBondContact O-N 3.39Å; A93-Y109 CarbonylContact O-C 3.56Å; A93-Y109 WeakPolarHBondContact O-CA 3.46Å; A93-S110 PolarHBondContact O-N 3.33Å
94P87.5Confident81.6Confident34 Ų3451.7 Ų51.722%0.22128%0.283CS..EExtended strand (participates in β ladder)trans-65.5139.617429.1-38000110.6I67 R73 F92 T107 Y109I67-P94 HydrophobicContact CB-CG 4.34Å; I67-P94 HydrophobicContact CD1-CB 3.98Å; I67-P94 HydrophobicContact CD1-CG 4.49Å; I67-P94 HydrophobicContact CG1-CB 4.16Å; I67-P94 HydrophobicContact CG1-CG 4.19Å; I67-P94 HydrophobicContact CG2-CB 3.95Å; I67-P94 HydrophobicContact CG2-CG 3.26Å; R73-P94 PolarHBondContact NE-O 2.81Å; R73-P94 PolarHBondContact NH2-O 3.29Å; F92-P94 WeakPolarHBondContact O-CD 3.43Å; P94-T107 HydrophobicContact CB-CG2 3.85Å; P94-Y109 HydrophobicContact CB-CD1 4.25Å; P94-Y109 HydrophobicContact CB-CE1 4.21Å
95L87.5Confident83.5Confident0 Ų046 Ų460%027%0.265CS..EExtended strand (participates in β ladder)trans-102.6-56.4178.7-70178.4000110.8I45 Y65 L89 I108 Y109 L116 A141I45-L95 HydrophobicContact CB-CD1 4.15Å; I45-L95 HydrophobicContact CG1-CD1 4.17Å; I45-L95 HydrophobicContact CG2-CD1 3.95Å; Y65-L95 WeakPolarHBondContact CD1-O 3.27Å; L89-L95 HydrophobicContact CD1-CD2 3.45Å; L89-L95 VanDerWaalsContact CD1-CD2 3.45Å; L95-I108 PolarHBondContact N-O 2.82Å; L95-Y109 WeakPolarHBondContact CD1-O 3.13Å; L95-L116 HydrophobicContact CD2-CD1 4.29Å; L95-A141 HydrophobicContact CD1-CB 3.82Å; L95-A141 HydrophobicContact CD2-CB 4.21Å
96C87.8Confident85.1Confident0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-147.5162176.965.10000111.8I63 N64 Y65 I108I63-C96 HydrophobicContact CG2-CB 4.07Å; N64-C96 CarbonylContact O-C 3.51Å; N64-C96 WeakPolarHBondContact O-CA 3.35Å; N64-C96 WeakPolarHBondContact O-CB 3.17Å; Y65-C96 HydrophobicContact CD1-CB 3.57Å; Y65-C96 HydrophobicContact CE1-CB 3.66Å; Y65-C96 HydrophobicContact CG-CB 4.09Å; C96-I108 PolarHBondContact O-N 2.82Å
97R89.6Confident86.4Confident99 Ų9944.6 Ų44.637%0.37424%0.24SC..EExtended strand (participates in β ladder)trans-110.3127.3167.8-73.1171.467.7-1614108.7I63 N64 E105 Y106 T107I63-R97 CarbonylContact C-O 3.59Å; I63-R97 WeakPolarHBondContact CA-O 3.46Å; N64-R97 PolarHBondContact N-O 2.78Å; N64-R97 PolarHBondContact O-N 2.61Å; R97-E105 IonicContact CZ-OE2 3.22Å; R97-E105 VanDerWaalsContact NH2-CD 3.32Å; R97-E105 IonicContact NH2-OE1 3.63Å; R97-E105 PolarHBondContact NH2-OE1 2.79Å; R97-E105 IonicContact NH2-OE2 3.8Å; R97-E105 PolarHBondContact NH2-OE2 2.77Å; R97-Y106 CarbonylContact C-O 3.55Å; R97-Y106 WeakPolarHBondContact CA-O 3.26Å; R97-T107 HydrophobicContact CG-CG2 4.37Å
98I89.3Confident87.1Confident0 Ų042.1 Ų42.10%023%0.229CC..EExtended strand (participates in β ladder)trans-105.5118.5176.5-56.7171.2000107.2I53 I60 I63 E105 Y106 I108 L130I53-I98 HydrophobicContact CD1-CB 4.12Å; I53-I98 HydrophobicContact CD1-CD1 3.75Å; I53-I98 HydrophobicContact CD1-CG2 3.92Å; I60-I98 HydrophobicContact CB-CG2 4.4Å; I60-I98 HydrophobicContact CD1-CG2 4.31Å; I60-I98 HydrophobicContact CG1-CG2 3.91Å; I60-I98 HydrophobicContact CG2-CG2 3.73Å; I63-I98 HydrophobicContact CG1-CG1 4.24Å; I63-I98 HydrophobicContact CG1-CG2 4.3Å; I63-I98 HydrophobicContact CG2-CG1 4.33Å; I98-E105 CarbonylContact O-C 3.53Å; I98-E105 WeakPolarHBondContact O-CA 3.42Å; I98-Y106 PolarHBondContact N-O 2.76Å; I98-Y106 PolarHBondContact O-N 2.97Å; I98-I108 HydrophobicContact CD1-CD1 4.01Å; I98-I108 HydrophobicContact CD1-CG1 3.62Å; I98-I108 HydrophobicContact CG1-CG1 4.14Å; I98-L130 HydrophobicContact CD1-CD2 3.61Å
99T89.7Confident87.5Confident22 Ų2238.9 Ų38.914%0.13521%0.214CC..EExtended strand (participates in β ladder)trans-101122.2175-52.50000108.1K61 S62 E105K61-T99 WeakPolarHBondContact CA-O 3.09Å; K61-T99 WeakPolarHBondContact CB-O 3.27Å; K61-T99 PolarHBondContact N-O 2.88Å; S62-T99 PolarHBondContact N-O 3.04Å; S62-T99 VanDerWaalsContact N-O 3.17Å; S62-T99 PolarHBondContact O-N 3.37Å; T99-E105 HydrophobicContact CG2-CG 4.03Å; T99-E105 PolarHBondContact OG1-OE1 2.87Å
100C88.7Confident87.6Confident0 Ų038.8 Ų38.80%021%0.214CC..EExtended strand (participates in β ladder)trans-84.4162.8175.4-72.20000111.1D102 G103 V104C100-D102 WeakPolarHBondContact CB-OD1 3.27Å; C100-D102 PolarHBondContact O-N 2.87Å; C100-G103 PolarHBondContact O-N 3.26Å; C100-V104 PolarHBondContact N-O 3.16Å
101T87.5Confident87.7Confident89 Ų8935.9 Ų35.955%0.54620%0.196SC..THydrogen-bonded Turntrans-64.9-25.1179.544.60000113.6S59 K61 G103S59-T101 WeakPolarHBondContact O-CG2 3.36Å; S59-T101 PolarHBondContact O-N 3.21Å; S59-T101 PolarHBondContact O-OG1 2.93Å; S59-T101 VanDerWaalsContact O-OG1 3.05Å; K61-T101 HydrophobicContact CB-CG2 4.06Å; T101-G103 PolarHBondContact O-N 3.09Å
102D86.1Confident87.9Confident82 Ų8233.6 Ų33.644%0.43919%0.185SC..THydrogen-bonded Turntrans-73.6-3.8172.262.6-3.7000113.5R58 C100 V104R58-D102 VanDerWaalsContact CD-OD2 3.28Å; R58-D102 WeakPolarHBondContact CD-OD2 3.47Å; R58-D102 IonicContact CZ-OD2 2.89Å; R58-D102 IonicContact NE-OD2 3.03Å; R58-D102 PolarHBondContact NE-OD2 3.4Å; R58-D102 VanDerWaalsContact NE-OD2 3.1Å; R58-D102 IonicContact NH1-OD2 2.7Å; R58-D102 PolarHBondContact NH1-OD2 2.86Å; R58-D102 IonicContact NH2-OD2 2.75Å; C100-D102 WeakPolarHBondContact CB-OD1 3.27Å; C100-D102 PolarHBondContact O-N 2.87Å; D102-V104 VanDerWaalsContact C-N 3.33Å; D102-V104 WeakPolarHBondContact OD1-CB 3.46Å; D102-V104 PolarHBondContact OD1-N 2.67Å; D102-V104 WeakPolarHBondContact OD2-CG2 3.35Å
103G83.4Confident88.2Confident54 Ų5434.7 Ų34.756%0.55719%0.187SC*.SBendtrans85.10.2-177.900000114.3C100 T101C100-G103 PolarHBondContact O-N 3.26Å; T101-G103 PolarHBondContact O-N 3.09Å
104V86.9Confident88.3Confident56 Ų5634.3 Ų34.334%0.33918%0.183SC..  trans-76.9139.4176.3-177.80000110C100 D102 Y106C100-V104 PolarHBondContact N-O 3.16Å; D102-V104 VanDerWaalsContact C-N 3.33Å; D102-V104 WeakPolarHBondContact OD1-CB 3.46Å; D102-V104 PolarHBondContact OD1-N 2.67Å; D102-V104 WeakPolarHBondContact OD2-CG2 3.35Å; V104-Y106 HydrophobicContact CB-CE2 4.29Å; V104-Y106 HydrophobicContact CG1-CD2 4.38Å; V104-Y106 HydrophobicContact CG1-CE1 4.31Å; V104-Y106 HydrophobicContact CG1-CE2 3.66Å
105E88.3Confident88.3Confident85 Ų8537.1 Ų37.140%0.39719%0.189SC..EExtended strand (participates in β ladder)trans-118.1130.2-179.5-62.9-17113600112.3R97 I98 T99R97-E105 IonicContact CZ-OE2 3.22Å; R97-E105 VanDerWaalsContact NH2-CD 3.32Å; R97-E105 IonicContact NH2-OE1 3.63Å; R97-E105 PolarHBondContact NH2-OE1 2.79Å; R97-E105 IonicContact NH2-OE2 3.8Å; R97-E105 PolarHBondContact NH2-OE2 2.77Å; I98-E105 CarbonylContact O-C 3.53Å; I98-E105 WeakPolarHBondContact O-CA 3.42Å; T99-E105 HydrophobicContact CG2-CG 4.03Å; T99-E105 PolarHBondContact OG1-OE1 2.87Å
106Y88.4Confident88.3Confident16 Ų1637.1 Ų37.16%0.06319%0.189CC..EExtended strand (participates in β ladder)trans-111.8134.4177.7-65.1-75.3000109.8E31 H51 P52 I53 R58 R97 I98 V104E31-Y106 HydrophobicContact CG-CD1 3.87Å; E31-Y106 HydrophobicContact CG-CE1 4.17Å; E31-Y106 WeakPolarHBondContact OE1-CD1 3.45Å; H51-Y106 AromaticContact CE1-CD1 3.79Å; H51-Y106 AromaticContact CE1-CG 3.88Å; P52-Y106 HydrophobicContact CB-CE1 4.28Å; P52-Y106 WeakPolarHBondContact CB-OH 3.36Å; P52-Y106 HydrophobicContact CG-CE1 4.34Å; I53-Y106 HydrophobicContact CD1-CD2 3.67Å; I53-Y106 HydrophobicContact CD1-CE2 4.45Å; I53-Y106 HydrophobicContact CD1-CG 3.89Å; I53-Y106 HydrophobicContact CG1-CD2 3.51Å; I53-Y106 HydrophobicContact CG1-CE2 3.79Å; I53-Y106 HydrophobicContact CG1-CG 4.08Å; R58-Y106 PolarHBondContact NH1-OH 3.47Å; R97-Y106 CarbonylContact C-O 3.55Å; R97-Y106 WeakPolarHBondContact CA-O 3.26Å; I98-Y106 PolarHBondContact N-O 2.76Å; I98-Y106 PolarHBondContact O-N 2.97Å; V104-Y106 HydrophobicContact CB-CE2 4.29Å; V104-Y106 HydrophobicContact CG1-CD2 4.38Å; V104-Y106 HydrophobicContact CG1-CE1 4.31Å; V104-Y106 HydrophobicContact CG1-CE2 3.66Å
107T89.1Confident88.1Confident27 Ų2738.9 Ų38.917%0.16620%0.198CC..EExtended strand (participates in β ladder)trans-107.2120.8176.1-57.30000108.8P94 R97 Y109P94-T107 HydrophobicContact CB-CG2 3.85Å; R97-T107 HydrophobicContact CG-CG2 4.37Å; T107-Y109 HydrophobicContact CG2-CE1 4Å; T107-Y109 HydrophobicContact CG2-CE2 3.96Å; T107-Y109 VanDerWaalsContact O-CD2 3.25Å; T107-Y109 WeakPolarHBondContact O-CD2 3.36Å; T107-Y109 WeakPolarHBondContact O-CE2 3.4Å
108I89.8Confident87.9Confident1 Ų139.2 Ų39.21%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-93.5132.1179.7-54.3-49000108.6L47 L95 C96 I98 I140L47-I108 HydrophobicContact CD2-CD1 3.5Å; L47-I108 HydrophobicContact CD2-CG1 4.28Å; L95-I108 PolarHBondContact N-O 2.82Å; C96-I108 PolarHBondContact O-N 2.82Å; I98-I108 HydrophobicContact CD1-CD1 4.01Å; I98-I108 HydrophobicContact CD1-CG1 3.62Å; I98-I108 HydrophobicContact CG1-CG1 4.14Å; I108-I140 HydrophobicContact CB-CD1 4.4Å; I108-I140 HydrophobicContact CG1-CD1 4.13Å; I108-I140 HydrophobicContact CG2-CD1 3.62Å; I108-I140 HydrophobicContact CG2-CG2 4.3Å
109Y90.1Very high87.8Confident21 Ų2139.8 Ų39.88%0.08221%0.208CC..EExtended strand (participates in β ladder)trans-108.5165-177.7-61.8-86.2000111.9I25 K26 Q33 F92 A93 P94 L95 T107 C111I25-Y109 HydrophobicContact CB-CD2 4.29Å; I25-Y109 HydrophobicContact CG2-CD2 3.28Å; I25-Y109 HydrophobicContact CG2-CE2 3.76Å; I25-Y109 HydrophobicContact CG2-CG 3.82Å; K26-Y109 HydrophobicContact CD-CE1 3.86Å; K26-Y109 HydrophobicContact CD-CE2 4.36Å; K26-Y109 WeakPolarHBondContact CD-OH 3.32Å; Q33-Y109 PolarHBondContact NE2-O 2.85Å; F92-Y109 VanDerWaalsContact O-CD1 3.26Å; F92-Y109 WeakPolarHBondContact O-CD1 3.46Å; A93-Y109 CarbonylContact O-C 3.56Å; A93-Y109 WeakPolarHBondContact O-CA 3.46Å; P94-Y109 HydrophobicContact CB-CD1 4.25Å; P94-Y109 HydrophobicContact CB-CE1 4.21Å; L95-Y109 WeakPolarHBondContact CD1-O 3.13Å; T107-Y109 HydrophobicContact CG2-CE1 4Å; T107-Y109 HydrophobicContact CG2-CE2 3.96Å; T107-Y109 VanDerWaalsContact O-CD2 3.25Å; T107-Y109 WeakPolarHBondContact O-CD2 3.36Å; T107-Y109 WeakPolarHBondContact O-CE2 3.4Å; Y109-C111 VanDerWaalsContact C-N 3.27Å; Y109-C111 PolarHBondContact O-N 2.65Å
110S87.4Confident87.7Confident0 Ų038.9 Ų38.90%020%0.202CC..  trans-63.5-32178.2-172.20000112.9I45 T90 A93 I112 I143I45-S110 WeakPolarHBondContact CD1-O 3.46Å; T90-S110 WeakPolarHBondContact O-CB 3.43Å; A93-S110 PolarHBondContact O-N 3.33Å; S110-I112 WeakPolarHBondContact CB-O 3.29Å; S110-I112 VanDerWaalsContact O-CG1 3.29Å; S110-I112 WeakPolarHBondContact O-CG1 3.19Å; S110-I112 PolarHBondContact O-N 2.91Å; S110-I112 PolarHBondContact OG-O 2.69Å; S110-I143 WeakPolarHBondContact OG-CD1 3.46Å
111C88.9Confident87.5Confident4 Ų444 Ų443%0.02723%0.226CC..  trans60-17.2-172-56.20000115.3K22 Q33 V35 E91 Y109 L157K22-C111 HydrophobicContact CB-CB 4.18Å; Q33-C111 PolarHBondContact NE2-SG 3.45Å; V35-C111 HydrophobicContact CG2-CB 3.77Å; E91-C111 WeakPolarHBondContact CG-O 3.06Å; E91-C111 WeakPolarHBondContact O-CA 3.35Å; E91-C111 PolarHBondContact O-N 3.27Å; Y109-C111 VanDerWaalsContact C-N 3.27Å; Y109-C111 PolarHBondContact O-N 2.65Å; C111-L157 HydrophobicContact CB-CD2 4.4Å
112I90Very high87.4Confident2 Ų243.6 Ų43.61%0.0122%0.221CC..SBendtrans-138.7158.2-177.355161.9000110.8V35 C43 I45 S110 I143 P145 V153 L157V35-I112 HydrophobicContact CG1-CD1 4.38Å; V35-I112 HydrophobicContact CG1-CG2 4.25Å; V35-I112 HydrophobicContact CG2-CG2 4.48Å; C43-I112 HydrophobicContact CB-CD1 3.2Å; I45-I112 HydrophobicContact CD1-CD1 4.17Å; I45-I112 HydrophobicContact CD1-CG1 4.03Å; S110-I112 WeakPolarHBondContact CB-O 3.29Å; S110-I112 VanDerWaalsContact O-CG1 3.29Å; S110-I112 WeakPolarHBondContact O-CG1 3.19Å; S110-I112 PolarHBondContact O-N 2.91Å; S110-I112 PolarHBondContact OG-O 2.69Å; I112-I143 HydrophobicContact CD1-CB 3.88Å; I112-I143 HydrophobicContact CD1-CD1 4.38Å; I112-I143 HydrophobicContact CD1-CG2 3.77Å; I112-I143 HydrophobicContact CG1-CB 4.47Å; I112-I143 HydrophobicContact CG1-CD1 4.11Å; I112-I143 HydrophobicContact CG1-CG2 4.18Å; I112-P145 HydrophobicContact CD1-CG 4.33Å; I112-V153 HydrophobicContact CB-CG2 3.49Å; I112-V153 VanDerWaalsContact CB-CG2 3.49Å; I112-V153 HydrophobicContact CG2-CG2 3.68Å; I112-L157 HydrophobicContact CG2-CD1 3.91Å
113R89.3Confident87.5Confident128 Ų12839.8 Ų39.848%0.48320%0.2SC..  trans-90.6133.7173.5-56.7178.284.5141.7-1.4109.5F88 L89 E91F88-R113 HydrophobicContact CZ-CB 4.42Å; L89-R113 WeakPolarHBondContact O-CA 3.04Å; E91-R113 HydrophobicContact CB-CG 4.41Å
114G88.8Confident87.5Confident0 Ų040.6 Ų40.60%019%0.191CC..EExtended strand (participates in β ladder)trans170.6178.3-179.400000113.7L89 L144L89-G114 PolarHBondContact N-O 3.12Å; L89-G114 PolarHBondContact O-N 3.34Å; L89-G114 VanDerWaalsContact O-N 3.09Å; G114-L144 CarbonylContact C-O 3.48Å; G114-L144 VanDerWaalsContact CA-O 3.28Å; G114-L144 WeakPolarHBondContact CA-O 3.43Å
115R87.8Confident87.4Confident94 Ų9445.7 Ų45.736%0.35521%0.212SC..EExtended strand (participates in β ladder)trans-85.7127.6172-66.8-173.1-176.1-177.36.2109.5S82 K83 F88 L117 I143 L144S82-R115 PolarHBondContact O-NH1 3.33Å; K83-R115 PolarHBondContact O-NH1 3.22Å; K83-R115 VanDerWaalsContact O-NH1 3.17Å; F88-R115 HydrophobicContact CD2-CG 4.1Å; R115-L117 PolarHBondContact O-N 2.75Å; R115-I143 WeakPolarHBondContact O-CA 3.38Å; R115-L144 PolarHBondContact N-O 3.03Å; R115-L144 PolarHBondContact O-N 2.77Å
116L87.5Confident87.3Confident0 Ų047 Ų470%021%0.213CC..EExtended strand (participates in β ladder)trans-64.6121.2168.8-175.363.2000108.6R73 N76 V78 Q87 L89 L95 E118 V119 A141 I143R73-L116 HydrophobicContact CB-CD2 3.99Å; R73-L116 HydrophobicContact CG-CD2 4.28Å; N76-L116 HydrophobicContact CB-CD2 4.27Å; N76-L116 WeakPolarHBondContact ND2-CB 3.33Å; N76-L116 WeakPolarHBondContact ND2-CG 3.38Å; N76-L116 PolarHBondContact ND2-O 2.89Å; V78-L116 WeakPolarHBondContact CG2-O 3.09Å; Q87-L116 PolarHBondContact O-N 3.05Å; L89-L116 HydrophobicContact CD1-CB 3.77Å; L89-L116 HydrophobicContact CD1-CD1 4Å; L89-L116 HydrophobicContact CD1-CG 4.3Å; L89-L116 HydrophobicContact CG-CB 4.1Å; L95-L116 HydrophobicContact CD2-CD1 4.29Å; L116-E118 WeakPolarHBondContact CD1-O 3.42Å; L116-V119 HydrophobicContact CD1-CG1 3.96Å; L116-V119 HydrophobicContact CD2-CG1 3.85Å; L116-V119 HydrophobicContact CG-CG1 4.32Å; L116-A141 HydrophobicContact CD1-CB 3.85Å; L116-I143 HydrophobicContact CD1-CG1 4.22Å
117L84.6Confident87.1Confident36 Ų3647.7 Ų47.719%0.18822%0.219CC..EExtended strand (participates in β ladder)trans-89.9-47.7174.7-63.7-173.4000110.6I42 K83 R115 V142 L144I42-L117 HydrophobicContact CD1-CD1 4.31Å; K83-L117 HydrophobicContact CD-CD2 3.83Å; R115-L117 PolarHBondContact O-N 2.75Å; L117-V142 HydrophobicContact CB-CB 4.37Å; L117-V142 HydrophobicContact CB-CG1 4.34Å; L117-V142 WeakPolarHBondContact CB-O 3.45Å; L117-V142 HydrophobicContact CD1-CG1 4.11Å; L117-V142 PolarHBondContact N-O 2.75Å; L117-L144 HydrophobicContact CD1-CB 3.94Å; L117-L144 HydrophobicContact CD2-CB 3.88Å; L117-L144 HydrophobicContact CG-CB 3.86Å
118E85.5Confident86.9Confident106 Ų10651.5 Ų51.550%0.49524%0.235SC..EExtended strand (participates in β ladder)trans-154.4149-168.6-171.8170.4168.400110.1L116 Y139 A141 V142L116-E118 WeakPolarHBondContact CD1-O 3.42Å; E118-Y139 PolarHBondContact OE1-OH 2.83Å; E118-A141 CarbonylContact O-C 3.55Å; E118-A141 WeakPolarHBondContact O-CA 3.33Å; E118-V142 HydrophobicContact CB-CB 4.19Å; E118-V142 HydrophobicContact CB-CG2 4.33Å; E118-V142 PolarHBondContact N-O 2.83Å; E118-V142 PolarHBondContact O-N 2.88Å
119V87Confident86.8Confident13 Ų1352.3 Ų52.38%0.07924%0.239CC..EExtended strand (participates in β ladder)trans-120.7145.2166.6-68.30000107.6Y65 R73 L74 L116 E121 A141Y65-V119 HydrophobicContact CD1-CB 4.03Å; Y65-V119 HydrophobicContact CD1-CG1 4.01Å; Y65-V119 HydrophobicContact CD1-CG2 4.49Å; Y65-V119 HydrophobicContact CE1-CB 3.77Å; Y65-V119 HydrophobicContact CE1-CG1 3.95Å; R73-V119 HydrophobicContact CB-CG1 4.12Å; L74-V119 HydrophobicContact CD2-CG2 3.98Å; L116-V119 HydrophobicContact CD1-CG1 3.96Å; L116-V119 HydrophobicContact CD2-CG1 3.85Å; L116-V119 HydrophobicContact CG-CG1 4.32Å; V119-E121 PolarHBondContact O-N 3.19Å; V119-A141 HydrophobicContact CG1-CB 4.26Å
120N86.5Confident86.5Confident3 Ų351.3 Ų51.32%0.01624%0.236CC..  trans-80.1110.5-179.4-168.2-11.4000110.1Y65 D122 I123 E137 Y139 I140Y65-N120 VanDerWaalsContact CE2-O 3.27Å; Y65-N120 WeakPolarHBondContact CE2-O 3.34Å; Y65-N120 PolarHBondContact OH-O 2.87Å; Y65-N120 VanDerWaalsContact OH-O 3.04Å; N120-D122 VanDerWaalsContact OD1-CB 3.27Å; N120-D122 WeakPolarHBondContact OD1-CB 3.44Å; N120-D122 PolarHBondContact OD1-N 3.5Å; N120-I123 HydrophobicContact CB-CG1 4.47Å; N120-I123 HydrophobicContact CB-CG2 4.47Å; N120-I123 WeakPolarHBondContact O-CG1 3.39Å; N120-E137 PolarHBondContact ND2-O 3.43Å; N120-Y139 HydrophobicContact CB-CD2 4.11Å; N120-Y139 HydrophobicContact CB-CE1 4.27Å; N120-Y139 HydrophobicContact CB-CE2 3.78Å; N120-Y139 HydrophobicContact CB-CG 4.47Å; N120-Y139 WeakPolarHBondContact CB-O 3.22Å; N120-Y139 PolarHBondContact ND2-O 3.06Å; N120-I140 PolarHBondContact N-O 2.7Å
121E85.4Confident86.3Confident108 Ų10854.1 Ų54.151%0.50525%0.25SS..SBendtrans-82.3-21.7176.9-61.4-175.2-178.700111.5L74 V119 I123 L124L74-E121 HydrophobicContact CD2-CG 3.72Å; V119-E121 PolarHBondContact O-N 3.19Å; E121-I123 PolarHBondContact O-N 3.38Å; E121-L124 WeakPolarHBondContact O-CB 3.36Å; E121-L124 WeakPolarHBondContact O-CG 3.1Å; E121-L124 PolarHBondContact O-N 3.43Å
122D84.9Confident85.9Confident80 Ų8057 Ų5743%0.42828%0.28SS..Hα-helixtrans-64.2-29.8-177.8-63.3-19.6000112N120 L124 E125 R126 L129N120-D122 VanDerWaalsContact OD1-CB 3.27Å; N120-D122 WeakPolarHBondContact OD1-CB 3.44Å; N120-D122 PolarHBondContact OD1-N 3.5Å; D122-L124 PolarHBondContact O-N 2.89Å; D122-E125 PolarHBondContact O-N 3.02Å; D122-R126 WeakPolarHBondContact O-CB 3.42Å; D122-R126 PolarHBondContact O-N 3.42Å; D122-R126 IonicContact OD2-NH2 2.64Å; D122-L129 HydrophobicContact CB-CD1 4.14Å
123I87.3Confident85.6Confident1 Ų161.8 Ų61.81%0.00530%0.301CS..Hα-helixtrans-71.7-13.4176.969.1172.7000113I63 Y65 N120 E121 P127 L129 L130 I140I63-I123 HydrophobicContact CD1-CB 4Å; I63-I123 HydrophobicContact CD1-CD1 3.61Å; I63-I123 HydrophobicContact CD1-CG1 3.79Å; I63-I123 HydrophobicContact CG2-CD1 4.27Å; Y65-I123 HydrophobicContact CE2-CD1 4.38Å; Y65-I123 HydrophobicContact CE2-CG1 4.28Å; Y65-I123 WeakPolarHBondContact OH-CD1 3.44Å; N120-I123 HydrophobicContact CB-CG1 4.47Å; N120-I123 HydrophobicContact CB-CG2 4.47Å; N120-I123 WeakPolarHBondContact O-CG1 3.39Å; E121-I123 PolarHBondContact O-N 3.38Å; I123-P127 WeakPolarHBondContact O-CA 3.48Å; I123-L129 HydrophobicContact CG2-CB 4.3Å; I123-L130 HydrophobicContact CG2-CB 4.41Å; I123-I140 HydrophobicContact CD1-CG1 4.48Å
124L84.7Confident85.1Confident72 Ų7256.8 Ų56.838%0.37729%0.285SS..Hα-helixtrans-71.6-39.9171.8-60.1-179.6000111I63 Y65 L74 E121 D122I63-L124 HydrophobicContact CB-CD2 3.86Å; I63-L124 HydrophobicContact CG2-CD2 4.1Å; I63-L124 WeakPolarHBondContact O-CD2 3.29Å; Y65-L124 HydrophobicContact CD2-CD1 4.21Å; Y65-L124 HydrophobicContact CD2-CD2 3.76Å; Y65-L124 HydrophobicContact CD2-CG 4.2Å; Y65-L124 HydrophobicContact CE2-CD2 3.84Å; Y65-L124 HydrophobicContact CE2-CG 4.14Å; L74-L124 HydrophobicContact CD2-CD1 4.3Å; E121-L124 WeakPolarHBondContact O-CB 3.36Å; E121-L124 WeakPolarHBondContact O-CG 3.1Å; E121-L124 PolarHBondContact O-N 3.43Å; D122-L124 PolarHBondContact O-N 2.89Å
125E84.1Confident84.6Confident163 Ų16358.7 Ų58.776%0.76230%0.298SS*.Hα-helixtrans-84.1-36.4177.8-59.7-170.7159.600111.6D122D122-E125 PolarHBondContact O-N 3.02Å
126R86.3Confident84.3Confident112 Ų11257.7 Ų57.742%0.42330%0.303SS..  trans-130.172.5-172.7-68.4-175.4-64.9170.52.1111.5D122 E128 L129D122-R126 WeakPolarHBondContact O-CB 3.42Å; D122-R126 PolarHBondContact O-N 3.42Å; D122-R126 IonicContact OD2-NH2 2.64Å; R126-E128 VanDerWaalsContact CA-OE2 3.28Å; R126-E128 WeakPolarHBondContact CA-OE2 3.4Å; R126-E128 WeakPolarHBondContact CB-OE1 3.21Å; R126-E128 VanDerWaalsContact CG-OE1 3.28Å; R126-E128 WeakPolarHBondContact CG-OE1 3.49Å; R126-E128 PolarHBondContact O-N 2.88Å; R126-E128 VanDerWaalsContact O-N 3.11Å; R126-L129 HydrophobicContact CB-CD1 3.93Å; R126-L129 HydrophobicContact CB-CG 4.02Å; R126-L129 WeakPolarHBondContact O-CB 3.48Å; R126-L129 PolarHBondContact O-N 3.34Å; R126-L129 VanDerWaalsContact O-N 3.08Å
127P84.9Confident84.1Confident30 Ų3062.3 Ų62.320%0.19533%0.325CS..THydrogen-bonded Turntrans-62.7-18.5-178.926.5-35.2000113.4I60 I63 I123 L129 L130I60-P127 HydrophobicContact CB-CB 3.85Å; I60-P127 HydrophobicContact CD1-CB 4.18Å; I60-P127 HydrophobicContact CG2-CB 3.85Å; I63-P127 HydrophobicContact CD1-CB 4.45Å; I123-P127 WeakPolarHBondContact O-CA 3.48Å; P127-L129 PolarHBondContact O-N 3.15Å; P127-L130 WeakPolarHBondContact O-CB 3.31Å; P127-L130 PolarHBondContact O-N 3.09Å; P127-L130 VanDerWaalsContact O-N 3.17Å
128E84.8Confident84.1Confident107 Ų10760.6 Ų60.650%0.532%0.316SS..Hα-helixtrans-59.5-25.517364.7-83.9-169.600113.3R126 L130 L131 G132R126-E128 VanDerWaalsContact CA-OE2 3.28Å; R126-E128 WeakPolarHBondContact CA-OE2 3.4Å; R126-E128 WeakPolarHBondContact CB-OE1 3.21Å; R126-E128 VanDerWaalsContact CG-OE1 3.28Å; R126-E128 WeakPolarHBondContact CG-OE1 3.49Å; R126-E128 PolarHBondContact O-N 2.88Å; R126-E128 VanDerWaalsContact O-N 3.11Å; E128-L130 VanDerWaalsContact C-N 3.31Å; E128-L130 PolarHBondContact O-N 3.23Å; E128-L131 PolarHBondContact O-N 3.22Å; E128-G132 PolarHBondContact O-N 3.11Å
129L85.9Confident84.4Confident19 Ų1957.7 Ų57.710%0.09930%0.3CS..Hα-helixtrans-63.9-39.4176.6-66.5176.6000111.3D122 I123 R126 P127 L131 K133 E137 G138D122-L129 HydrophobicContact CB-CD1 4.14Å; I123-L129 HydrophobicContact CG2-CB 4.3Å; R126-L129 HydrophobicContact CB-CD1 3.93Å; R126-L129 HydrophobicContact CB-CG 4.02Å; R126-L129 WeakPolarHBondContact O-CB 3.48Å; R126-L129 PolarHBondContact O-N 3.34Å; R126-L129 VanDerWaalsContact O-N 3.08Å; P127-L129 PolarHBondContact O-N 3.15Å; L129-L131 PolarHBondContact O-N 3.3Å; L129-K133 CarbonylContact O-C 3.59Å; L129-K133 VanDerWaalsContact O-C 3.26Å; L129-K133 WeakPolarHBondContact O-CA 3.45Å; L129-K133 PolarHBondContact O-N 2.97Å; L129-E137 HydrophobicContact CD2-CB 4.13Å; L129-G138 VanDerWaalsContact O-CA 3.29Å; L129-G138 WeakPolarHBondContact O-CA 3.45Å
130L85.1Confident84.5Confident0 Ų057 Ų570%030%0.297CS..Hα-helixtrans-62.6-35177-174.262000111.5L47 I60 I63 I98 I123 P127 E128 P134 G138 I140L47-L130 HydrophobicContact CD1-CD1 4.09Å; L47-L130 HydrophobicContact CD1-CD2 3.9Å; L47-L130 HydrophobicContact CD1-CG 3.86Å; L47-L130 HydrophobicContact CG-CD1 4.13Å; L47-L130 HydrophobicContact CG-CG 4.45Å; I60-L130 HydrophobicContact CD1-CB 4.25Å; I60-L130 HydrophobicContact CD1-CD2 3.79Å; I60-L130 HydrophobicContact CD1-CG 4.38Å; I63-L130 HydrophobicContact CD1-CD2 3.96Å; I98-L130 HydrophobicContact CD1-CD2 3.61Å; I123-L130 HydrophobicContact CG2-CB 4.41Å; P127-L130 WeakPolarHBondContact O-CB 3.31Å; P127-L130 PolarHBondContact O-N 3.09Å; P127-L130 VanDerWaalsContact O-N 3.17Å; E128-L130 VanDerWaalsContact C-N 3.31Å; E128-L130 PolarHBondContact O-N 3.23Å; L130-P134 WeakPolarHBondContact O-CB 3.34Å; L130-G138 WeakPolarHBondContact CD1-O 3.47Å; L130-I140 HydrophobicContact CD1-CD1 4.02Å; L130-I140 HydrophobicContact CD1-CG1 3.71Å
131L83Confident84.7Confident59 Ų5956.9 Ų56.931%0.30930%0.296SS..Hα-helixtrans-81-48.4-179.3-59178.5000112.4I53 L54 I60 E128 L129I53-L131 HydrophobicContact CG2-CD2 3.46Å; I53-L131 VanDerWaalsContact CG2-CD2 3.46Å; L54-L131 HydrophobicContact CD2-CB 4.37Å; L54-L131 HydrophobicContact CD2-CD2 3.79Å; I60-L131 HydrophobicContact CD1-CD1 4.42Å; I60-L131 HydrophobicContact CD1-CD2 3.9Å; I60-L131 HydrophobicContact CD1-CG 3.99Å; I60-L131 HydrophobicContact CG1-CD2 4.43Å; E128-L131 PolarHBondContact O-N 3.22Å; L129-L131 PolarHBondContact O-N 3.3Å
132G80.3Confident85Confident64 Ų6452.7 Ų52.766%0.6628%0.277SS*.Hα-helixtrans-83.6-28.6-172.800000113.9E128E128-G132 PolarHBondContact O-N 3.11Å
133K83.6Confident85.2Confident102 Ų10248.9 Ų48.944%0.44326%0.257SS..  trans-140.750.9-171.9-69.6-174.9-170.7176.50112.8L129 S135 T136 E137 G138L129-K133 CarbonylContact O-C 3.59Å; L129-K133 VanDerWaalsContact O-C 3.26Å; L129-K133 WeakPolarHBondContact O-CA 3.45Å; L129-K133 PolarHBondContact O-N 2.97Å; K133-S135 PolarHBondContact O-N 3.04Å; K133-S135 VanDerWaalsContact O-N 3.12Å; K133-T136 WeakPolarHBondContact CB-OG1 3.35Å; K133-T136 PolarHBondContact O-N 2.94Å; K133-E137 HydrophobicContact CB-CB 4.49Å; K133-E137 HydrophobicContact CD-CB 4.42Å; K133-E137 HydrophobicContact CD-CG 4.43Å; K133-E137 WeakPolarHBondContact CD-OE2 3.28Å; K133-E137 WeakPolarHBondContact CE-OE2 3.29Å; K133-E137 IonicContact NZ-OE2 2.71Å; K133-E137 PolarHBondContact NZ-OE2 2.86Å; K133-E137 PolarHBondContact O-N 2.81Å; K133-G138 WeakPolarHBondContact O-CA 3.48Å; K133-G138 PolarHBondContact O-N 2.77Å
134P79.9Confident85.4Confident24 Ų2450.6 Ų50.616%0.15627%0.266CS..THydrogen-bonded Turntrans-58.2-32.9-174.921.5-32.5000113.2T46 L54 L130 G138T46-P134 VanDerWaalsContact CB-O 3.29Å; T46-P134 WeakPolarHBondContact CB-O 3.46Å; T46-P134 VanDerWaalsContact OG1-C 3.23Å; T46-P134 WeakPolarHBondContact OG1-CB 3.5Å; T46-P134 PolarHBondContact OG1-O 3.17Å; L54-P134 HydrophobicContact CD1-CG 4.49Å; L130-P134 WeakPolarHBondContact O-CB 3.34Å; P134-G138 CarbonylContact O-C 3.59Å
135S77.6Confident85.6Confident39 Ų3947.5 Ų47.527%0.27325%0.25SS..THydrogen-bonded Turntrans-86.6-5.7-178.2-59.10000114.8I13 K133I13-S135 WeakPolarHBondContact CD1-O 3.43Å; K133-S135 PolarHBondContact O-N 3.04Å; K133-S135 VanDerWaalsContact O-N 3.12Å
136T81.9Confident85.5Confident74 Ų7444.7 Ų44.745%0.45424%0.236SC..THydrogen-bonded Turntrans-124.3-93.5-179.356.60000111.3I13 K133 G138 Y139I13-T136 HydrophobicContact CD1-CG2 3.73Å; K133-T136 WeakPolarHBondContact CB-OG1 3.35Å; K133-T136 PolarHBondContact O-N 2.94Å; T136-G138 VanDerWaalsContact C-N 3.35Å; T136-Y139 WeakPolarHBondContact O-CD1 3.47Å
137E81.8Confident85.1Confident97 Ų9746.8 Ų46.845%0.45325%0.254SS..THydrogen-bonded Turntrans-79.5-20-174.7-64.2176140.600112.6N120 L129 K133N120-E137 PolarHBondContact ND2-O 3.43Å; L129-E137 HydrophobicContact CD2-CB 4.13Å; K133-E137 HydrophobicContact CB-CB 4.49Å; K133-E137 HydrophobicContact CD-CB 4.42Å; K133-E137 HydrophobicContact CD-CG 4.43Å; K133-E137 WeakPolarHBondContact CD-OE2 3.28Å; K133-E137 WeakPolarHBondContact CE-OE2 3.29Å; K133-E137 IonicContact NZ-OE2 2.71Å; K133-E137 PolarHBondContact NZ-OE2 2.86Å; K133-E137 PolarHBondContact O-N 2.81Å
138G86Confident84.8Confident0 Ų053.8 Ų53.80%028%0.283CS..THydrogen-bonded Turntrans-93.922.718000000114.6L129 L130 K133 P134 T136L129-G138 VanDerWaalsContact O-CA 3.29Å; L129-G138 WeakPolarHBondContact O-CA 3.45Å; L130-G138 WeakPolarHBondContact CD1-O 3.47Å; K133-G138 WeakPolarHBondContact O-CA 3.48Å; K133-G138 PolarHBondContact O-N 2.77Å; P134-G138 CarbonylContact O-C 3.59Å; T136-G138 VanDerWaalsContact C-N 3.35Å
139Y90.3Very high84.3Confident44 Ų4451.7 Ų51.717%0.17327%0.274CS..  trans-65.7157.4174.874.3-84.2000110.8V44 E118 N120 T136 V142V44-Y139 VanDerWaalsContact CG1-CB 3.42Å; V44-Y139 HydrophobicContact CG1-CD2 4.12Å; V44-Y139 HydrophobicContact CG1-CG 3.98Å; E118-Y139 PolarHBondContact OE1-OH 2.83Å; N120-Y139 HydrophobicContact CB-CD2 4.11Å; N120-Y139 HydrophobicContact CB-CE1 4.27Å; N120-Y139 HydrophobicContact CB-CE2 3.78Å; N120-Y139 HydrophobicContact CB-CG 4.47Å; N120-Y139 WeakPolarHBondContact CB-O 3.22Å; N120-Y139 PolarHBondContact ND2-O 3.06Å; T136-Y139 WeakPolarHBondContact O-CD1 3.47Å; Y139-V142 HydrophobicContact CD2-CG2 3.9Å; Y139-V142 HydrophobicContact CE2-CG2 3.6Å
140I90.5Very high83.7Confident0 Ų051 Ų510%027%0.271CS..  trans-98.8-47.1-176.5-61.3175.2000111.1I45 L47 Y65 I108 N120 I123 L130I45-I140 WeakPolarHBondContact O-CB 3.36Å; I45-I140 PolarHBondContact O-N 3.03Å; L47-I140 HydrophobicContact CD2-CD1 4.05Å; L47-I140 HydrophobicContact CG-CD1 4.15Å; Y65-I140 HydrophobicContact CE1-CG2 4.05Å; Y65-I140 PolarHBondContact OH-O 2.81Å; I108-I140 HydrophobicContact CB-CD1 4.4Å; I108-I140 HydrophobicContact CG1-CD1 4.13Å; I108-I140 HydrophobicContact CG2-CD1 3.62Å; I108-I140 HydrophobicContact CG2-CG2 4.3Å; N120-I140 PolarHBondContact N-O 2.7Å; I123-I140 HydrophobicContact CD1-CG1 4.48Å; L130-I140 HydrophobicContact CD1-CD1 4.02Å; L130-I140 HydrophobicContact CD1-CG1 3.71Å
141A90.5Very high83Confident0 Ų058.4 Ų58.40%030%0.303CS..EExtended strand (participates in β ladder)trans-154153.4-17700000111.7I45 L95 L116 E118 V119I45-A141 PolarHBondContact N-O 2.81Å; L95-A141 HydrophobicContact CD1-CB 3.82Å; L95-A141 HydrophobicContact CD2-CB 4.21Å; L116-A141 HydrophobicContact CD1-CB 3.85Å; E118-A141 CarbonylContact O-C 3.55Å; E118-A141 WeakPolarHBondContact O-CA 3.33Å; V119-A141 HydrophobicContact CG1-CB 4.26Å
142V91.1Very high82.9Confident19 Ų1959.2 Ų59.212%0.11531%0.31CS..EExtended strand (participates in β ladder)trans-113.6126.3172.8-173.30000108.8I42 V44 L117 E118 Y139I42-V142 HydrophobicContact CG2-CG1 3.21Å; V44-V142 HydrophobicContact CG2-CG2 4.38Å; L117-V142 HydrophobicContact CB-CB 4.37Å; L117-V142 HydrophobicContact CB-CG1 4.34Å; L117-V142 WeakPolarHBondContact CB-O 3.45Å; L117-V142 HydrophobicContact CD1-CG1 4.11Å; L117-V142 PolarHBondContact N-O 2.75Å; E118-V142 HydrophobicContact CB-CB 4.19Å; E118-V142 HydrophobicContact CB-CG2 4.33Å; E118-V142 PolarHBondContact N-O 2.83Å; E118-V142 PolarHBondContact O-N 2.88Å; Y139-V142 HydrophobicContact CD2-CG2 3.9Å; Y139-V142 HydrophobicContact CE2-CG2 3.6Å
143I90.6Very high82.9Confident0 Ų057.1 Ų57.10%029%0.285CS..EExtended strand (participates in β ladder)trans-124.3138.2-174.7-56.9-177.4000109.3C43 I45 L89 S110 I112 R115 L116 P145C43-I143 PolarHBondContact N-O 2.82Å; C43-I143 PolarHBondContact O-N 2.71Å; I45-I143 HydrophobicContact CD1-CD1 4.11Å; I45-I143 HydrophobicContact CG1-CD1 3.64Å; I45-I143 HydrophobicContact CG1-CG1 4.14Å; L89-I143 HydrophobicContact CD1-CD1 3.82Å; L89-I143 HydrophobicContact CD1-CG1 4.31Å; S110-I143 WeakPolarHBondContact OG-CD1 3.46Å; I112-I143 HydrophobicContact CD1-CB 3.88Å; I112-I143 HydrophobicContact CD1-CD1 4.38Å; I112-I143 HydrophobicContact CD1-CG2 3.77Å; I112-I143 HydrophobicContact CG1-CB 4.47Å; I112-I143 HydrophobicContact CG1-CD1 4.11Å; I112-I143 HydrophobicContact CG1-CG2 4.18Å; R115-I143 WeakPolarHBondContact O-CA 3.38Å; L116-I143 HydrophobicContact CD1-CG1 4.22Å; I143-P145 WeakPolarHBondContact O-CD 3.39Å
144L89.9Confident82.7Confident37 Ų3753 Ų5319%0.19427%0.268CS..EExtended strand (participates in β ladder)trans-107106.4172.2-172.283.2000110.4I42 K83 G114 R115 L117I42-L144 HydrophobicContact CG1-CD1 3.83Å; K83-L144 HydrophobicContact CD-CD2 3.61Å; G114-L144 CarbonylContact C-O 3.48Å; G114-L144 VanDerWaalsContact CA-O 3.28Å; G114-L144 WeakPolarHBondContact CA-O 3.43Å; R115-L144 PolarHBondContact N-O 3.03Å; R115-L144 PolarHBondContact O-N 2.77Å; L117-L144 HydrophobicContact CD1-CB 3.94Å; L117-L144 HydrophobicContact CD2-CB 3.88Å; L117-L144 HydrophobicContact CG-CB 3.86Å
145P88.5Confident82.7Confident7 Ų757.9 Ų57.95%0.04529%0.293CS..  trans-58.8155.4167-20.432.3000111.7R41 I112 I143 V153R41-P145 VanDerWaalsContact O-CD 3.27Å; R41-P145 WeakPolarHBondContact O-CD 3.12Å; I112-P145 HydrophobicContact CD1-CG 4.33Å; I143-P145 WeakPolarHBondContact O-CD 3.39Å; P145-V153 HydrophobicContact CB-CG1 4.43Å; P145-V153 HydrophobicContact CB-CG2 4.42Å; P145-V153 HydrophobicContact CG-CG1 4.21Å; P145-V153 HydrophobicContact CG-CG2 4.42Å
146K83.8Confident82.9Confident105 Ų10558 Ų5846%0.45730%0.3SS..  trans-65.4144.8166.4-72.2-175-176.7171.40109.2F88 E148 E149 S150F88-K146 HydrophobicContact CE2-CG 4.4Å; K146-E148 VanDerWaalsContact C-N 3.25Å; K146-E148 PolarHBondContact O-N 2.75Å; K146-E149 HydrophobicContact CB-CB 4.31Å; K146-E149 HydrophobicContact CB-CG 4.36Å; K146-E149 CarbonylContact O-C 3.55Å; K146-E149 PolarHBondContact O-N 3.28Å; K146-S150 WeakPolarHBondContact O-CB 3.21Å; K146-S150 PolarHBondContact O-N 3.06Å
147I77Confident83.2Confident156 Ų15654.9 Ų54.980%0.828%0.281SS*.THydrogen-bonded Turntrans-55.2-44.5-178.1-67.7169.6000111E149 S150I147-E149 VanDerWaalsContact C-N 3.34Å; I147-E149 PolarHBondContact O-N 3.31Å; I147-S150 PolarHBondContact O-N 3.06Å; I147-S150 PolarHBondContact O-OG 3.15Å
148E78.3Confident83.6Confident176 Ų17652.5 Ų52.582%0.82227%0.271SS*.THydrogen-bonded Turntrans-62-38178.3-65.6167.1-163.300112.8K146K146-E148 VanDerWaalsContact C-N 3.25Å; K146-E148 PolarHBondContact O-N 2.75Å
149E75.6Confident83.8Confident63 Ų6353.7 Ų53.729%0.29428%0.279SS..THydrogen-bonded Turntrans-91.7-9.2-177.3-61.7179.3128.300112.6K146 I147 K151 T152 V153K146-E149 HydrophobicContact CB-CB 4.31Å; K146-E149 HydrophobicContact CB-CG 4.36Å; K146-E149 CarbonylContact O-C 3.55Å; K146-E149 PolarHBondContact O-N 3.28Å; I147-E149 VanDerWaalsContact C-N 3.34Å; I147-E149 PolarHBondContact O-N 3.31Å; E149-K151 PolarHBondContact O-N 3.32Å; E149-T152 PolarHBondContact O-N 3.18Å; E149-T152 PolarHBondContact O-OG1 2.87Å; E149-T152 VanDerWaalsContact O-OG1 3.07Å; E149-V153 WeakPolarHBondContact O-CB 3.37Å; E149-V153 PolarHBondContact O-N 3.38Å
150S71.6Confident83.7Confident5 Ų556.7 Ų56.74%0.03529%0.29CS..THydrogen-bonded Turntrans-62.5-20.3-173.768.20000114.3Q37 R41 K146 I147Q37-S150 PolarHBondContact NE2-O 3.32Å; R41-S150 PolarHBondContact NH1-OG 3.48Å; K146-S150 WeakPolarHBondContact O-CB 3.21Å; K146-S150 PolarHBondContact O-N 3.06Å; I147-S150 PolarHBondContact O-N 3.06Å; I147-S150 PolarHBondContact O-OG 3.15Å
151K70.9Confident83.5Confident156 Ų15662.6 Ų62.668%0.67832%0.318SS*.THydrogen-bonded Turntrans-87-25.5174.8-66.8-176.4179.6-1800113E149E149-K151 PolarHBondContact O-N 3.32Å
152T80.4Confident83.4Confident76 Ų7667.3 Ų67.347%0.46634%0.34SS..THydrogen-bonded Turntrans-100.5-14.8-177.455.30000112.3E149 T154 N155E149-T152 PolarHBondContact O-N 3.18Å; E149-T152 PolarHBondContact O-OG1 2.87Å; E149-T152 VanDerWaalsContact O-OG1 3.07Å; T152-T154 PolarHBondContact O-N 2.58Å; T152-T154 VanDerWaalsContact O-N 3.13Å; T152-N155 VanDerWaalsContact O-CB 3.29Å; T152-N155 WeakPolarHBondContact O-CB 3.25Å; T152-N155 PolarHBondContact O-N 3.24Å
153V81.3Confident83.3Confident20 Ų2066.9 Ų66.912%0.12134%0.336CS..THydrogen-bonded Turntrans-60.3-23.9-179.980.80000113I112 P145 E149I112-V153 HydrophobicContact CB-CG2 3.49Å; I112-V153 VanDerWaalsContact CB-CG2 3.49Å; I112-V153 HydrophobicContact CG2-CG2 3.68Å; P145-V153 HydrophobicContact CB-CG1 4.43Å; P145-V153 HydrophobicContact CB-CG2 4.42Å; P145-V153 HydrophobicContact CG-CG1 4.21Å; P145-V153 HydrophobicContact CG-CG2 4.42Å; E149-V153 WeakPolarHBondContact O-CB 3.37Å; E149-V153 PolarHBondContact O-N 3.38Å
154T80.3Confident83.2Confident16 Ų1671 Ų7110%0.09836%0.355CS..THydrogen-bonded Turntrans-92.6-8.317854.90000113.4W20 T152 G156 L157W20-T154 HydrophobicContact CD2-CG2 3.94Å; W20-T154 HydrophobicContact CG-CG2 4.07Å; W20-T154 HydrophobicContact CZ2-CG2 4.11Å; T152-T154 PolarHBondContact O-N 2.58Å; T152-T154 VanDerWaalsContact O-N 3.13Å; T154-G156 PolarHBondContact O-N 3.26Å; T154-G156 VanDerWaalsContact O-N 3.1Å; T154-L157 HydrophobicContact CG2-CD1 4.36Å; T154-L157 WeakPolarHBondContact O-CB 3.39Å; T154-L157 PolarHBondContact O-N 3.02Å
155N79.9Confident83Confident125 Ų12572.2 Ų72.267%0.66837%0.367SS*.THydrogen-bonded Turntrans-63.2-21.3-176.1-71-2.7000113.6T152T152-N155 VanDerWaalsContact O-CB 3.29Å; T152-N155 WeakPolarHBondContact O-CB 3.25Å; T152-N155 PolarHBondContact O-N 3.24Å
156G80.8Confident82.9Confident42 Ų4273.8 Ų73.843%0.43338%0.377SS..THydrogen-bonded Turntrans-99.18.6175.300000113.8K22 T154K22-G156 WeakPolarHBondContact CD-O 3.44Å; K22-G156 PolarHBondContact NZ-O 3.02Å; T154-G156 PolarHBondContact O-N 3.26Å; T154-G156 VanDerWaalsContact O-N 3.1Å
157L88.6Confident82.9Confident9 Ų970.6 Ų70.65%0.04737%0.366CS..SBendtrans-112.8150.9-179.6-52.5178.2000109.8W20 Y21 K22 V35 C111 I112 T154W20-L157 HydrophobicContact CB-CB 3.84Å; W20-L157 HydrophobicContact CB-CD1 3.57Å; W20-L157 HydrophobicContact CB-CG 4.33Å; W20-L157 HydrophobicContact CE3-CB 4.2Å; W20-L157 HydrophobicContact CG-CB 4.45Å; W20-L157 HydrophobicContact CG-CD1 4.14Å; Y21-L157 CarbonylContact O-C 3.6Å; Y21-L157 WeakPolarHBondContact O-CA 3.46Å; K22-L157 HydrophobicContact CB-CD2 3.84Å; K22-L157 HydrophobicContact CD-CD2 3.67Å; K22-L157 HydrophobicContact CG-CD2 4.32Å; V35-L157 HydrophobicContact CB-CD1 4.07Å; V35-L157 HydrophobicContact CG1-CD1 4.33Å; V35-L157 HydrophobicContact CG2-CD1 4.06Å; C111-L157 HydrophobicContact CB-CD2 4.4Å; I112-L157 HydrophobicContact CG2-CD1 3.91Å; T154-L157 HydrophobicContact CG2-CD1 4.36Å; T154-L157 WeakPolarHBondContact O-CB 3.39Å; T154-L157 PolarHBondContact O-N 3.02Å
158L89.6Confident83.2Confident46 Ų4666 Ų6624%0.24135%0.347CS..BIsolated β-bridgetrans-89.3143.8177.7-58.2177000110.4W20 Y21 T23 E162 V166W20-L158 CarbonylContact C-O 3.48Å; W20-L158 WeakPolarHBondContact CA-O 3.42Å; Y21-L158 PolarHBondContact N-O 2.86Å; Y21-L158 PolarHBondContact O-N 3.29Å; T23-L158 HydrophobicContact CG2-CD1 3.81Å; L158-E162 WeakPolarHBondContact CA-OE2 3.26Å; L158-E162 HydrophobicContact CB-CB 3.99Å; L158-E162 HydrophobicContact CD2-CB 4.21Å; L158-V166 HydrophobicContact CD1-CG2 4.16Å
159S90.5Very high83.5Confident25 Ų2564.5 Ų64.518%0.17534%0.338CS..  trans-65.9171.1164.388.90000110.7E161 E162 Y163S159-E161 VanDerWaalsContact C-N 3.33Å; S159-E161 WeakPolarHBondContact CB-OE2 3.35Å; S159-E161 PolarHBondContact O-N 2.82Å; S159-E161 PolarHBondContact OG-N 2.79Å; S159-E161 PolarHBondContact OG-OE2 2.79Å; S159-E162 PolarHBondContact N-OE2 2.95Å; S159-E162 PolarHBondContact O-N 3.35Å; S159-E162 PolarHBondContact OG-N 2.82Å; S159-Y163 VanDerWaalsContact O-CB 3.25Å; S159-Y163 WeakPolarHBondContact O-CB 3.37Å; S159-Y163 PolarHBondContact O-N 3.27Å
160R87.7Confident83.6Confident108 Ų10863.8 Ų63.841%0.40833%0.333SS..Hα-helixtrans-58.8-45.5175.4-178.1177.7-178.2163.47.9111.8Y21 Y163 E164Y21-R160 HydrophobicContact CE2-CB 4.07Å; Y21-R160 HydrophobicContact CE2-CG 4.34Å; R160-Y163 PolarHBondContact O-N 2.81Å; R160-E164 HydrophobicContact CG-CG 4.41Å; R160-E164 WeakPolarHBondContact CG-OE1 3.25Å; R160-E164 IonicContact CZ-OE1 3.78Å; R160-E164 IonicContact NE-OE1 3.33Å; R160-E164 PolarHBondContact NE-OE1 3.31Å; R160-E164 IonicContact NH2-OE1 2.91Å; R160-E164 WeakPolarHBondContact O-CB 3.42Å; R160-E164 WeakPolarHBondContact O-CG 3.39Å; R160-E164 PolarHBondContact O-N 3.06Å
161E87.7Confident83.6Confident123 Ų12367.7 Ų67.758%0.57536%0.357SS*.Hα-helixtrans-66.4-41.1-176.9-56.174.9-159.900111.5S159 S165S159-E161 VanDerWaalsContact C-N 3.33Å; S159-E161 WeakPolarHBondContact CB-OE2 3.35Å; S159-E161 PolarHBondContact O-N 2.82Å; S159-E161 PolarHBondContact OG-N 2.79Å; S159-E161 PolarHBondContact OG-OE2 2.79Å; E161-S165 WeakPolarHBondContact O-CB 3.32Å; E161-S165 PolarHBondContact O-N 2.87Å; E161-S165 PolarHBondContact O-OG 3.33Å
162E88.4Confident83.4Confident100 Ų10068.3 Ų68.347%0.46736%0.359SS..Hα-helixtrans-64.2-44.3175.8-68.5176.813600111L158 S159 S165 V166L158-E162 WeakPolarHBondContact CA-OE2 3.26Å; L158-E162 HydrophobicContact CB-CB 3.99Å; L158-E162 HydrophobicContact CD2-CB 4.21Å; S159-E162 PolarHBondContact N-OE2 2.95Å; S159-E162 PolarHBondContact O-N 3.35Å; S159-E162 PolarHBondContact OG-N 2.82Å; E162-S165 WeakPolarHBondContact O-CB 3.27Å; E162-S165 PolarHBondContact O-N 2.81Å; E162-V166 WeakPolarHBondContact O-CG2 3.41Å; E162-V166 PolarHBondContact O-N 3.07Å
163Y88.8Confident82.3Confident9 Ų969.4 Ų69.44%0.03537%0.37CS..Hα-helixtrans-64.6-46.3177.7172.3-105.3000112.5Y21 T23 D32 A48 S50 S159 R160 S165 V166 V167Y21-Y163 AromaticContact CD1-CD1 3.72Å; Y21-Y163 HydrophobicContact CD1-CD1 3.72Å; Y21-Y163 HydrophobicContact CD1-CD2 4.04Å; Y21-Y163 AromaticContact CD1-CE1 3.76Å; Y21-Y163 HydrophobicContact CD1-CE1 3.76Å; Y21-Y163 HydrophobicContact CD1-CE2 4.07Å; Y21-Y163 AromaticContact CD1-CG 3.84Å; Y21-Y163 HydrophobicContact CD1-CG 3.84Å; Y21-Y163 AromaticContact CD1-CZ 3.91Å; Y21-Y163 AromaticContact CD2-CD1 3.89Å; Y21-Y163 HydrophobicContact CD2-CD1 3.89Å; Y21-Y163 AromaticContact CD2-CG 3.77Å; Y21-Y163 HydrophobicContact CD2-CG 3.77Å; Y21-Y163 AromaticContact CE1-CD1 3.87Å; Y21-Y163 HydrophobicContact CE1-CD1 3.87Å; Y21-Y163 AromaticContact CE1-CE1 3.78Å; Y21-Y163 HydrophobicContact CE1-CE1 3.78Å; Y21-Y163 HydrophobicContact CE1-CG 4.43Å; Y21-Y163 HydrophobicContact CE2-CD1 4.03Å; Y21-Y163 HydrophobicContact CE2-CG 4.38Å; Y21-Y163 AromaticContact CG-CD1 3.72Å; Y21-Y163 HydrophobicContact CG-CD1 3.72Å; Y21-Y163 AromaticContact CG-CD2 3.8Å; Y21-Y163 HydrophobicContact CG-CD2 3.8Å; Y21-Y163 HydrophobicContact CG-CE1 4.23Å; Y21-Y163 HydrophobicContact CG-CE2 4.3Å; Y21-Y163 AromaticContact CG-CG 3.46Å; Y21-Y163 HydrophobicContact CG-CG 3.46Å; Y21-Y163 VanDerWaalsContact CG-CG 3.46Å; T23-Y163 HydrophobicContact CG2-CD2 3.62Å; T23-Y163 HydrophobicContact CG2-CE2 3.87Å; D32-Y163 HydrophobicContact CB-CE2 3.96Å; A48-Y163 HydrophobicContact CB-CE2 4.39Å; A48-Y163 VanDerWaalsContact CB-OH 3.29Å; A48-Y163 WeakPolarHBondContact CB-OH 3.3Å; S50-Y163 WeakPolarHBondContact CB-OH 3.37Å; S50-Y163 PolarHBondContact N-OH 3.13Å; S50-Y163 PolarHBondContact OG-OH 3.46Å; S159-Y163 VanDerWaalsContact O-CB 3.25Å; S159-Y163 WeakPolarHBondContact O-CB 3.37Å; S159-Y163 PolarHBondContact O-N 3.27Å; R160-Y163 PolarHBondContact O-N 2.81Å; Y163-S165 PolarHBondContact O-N 3.04Å; Y163-V166 WeakPolarHBondContact O-CB 3.26Å; Y163-V166 PolarHBondContact O-N 2.85Å; Y163-V167 HydrophobicContact CD1-CG2 4.3Å; Y163-V167 HydrophobicContact CD2-CG2 4.17Å; Y163-V167 HydrophobicContact CE1-CG2 3.86Å; Y163-V167 HydrophobicContact CE2-CG2 3.71Å; Y163-V167 HydrophobicContact CG-CG2 4.45Å; Y163-V167 WeakPolarHBondContact O-CG2 3.29Å; Y163-V167 PolarHBondContact O-N 3.48Å
164E87.1Confident80.9Confident86 Ų8673.9 Ų73.940%0.40240%0.398SS..Hα-helixtrans-58.8-36.1175.2-75.7173.5-174.400111.7R160 V167 S168R160-E164 HydrophobicContact CG-CG 4.41Å; R160-E164 WeakPolarHBondContact CG-OE1 3.25Å; R160-E164 IonicContact CZ-OE1 3.78Å; R160-E164 IonicContact NE-OE1 3.33Å; R160-E164 PolarHBondContact NE-OE1 3.31Å; R160-E164 IonicContact NH2-OE1 2.91Å; R160-E164 WeakPolarHBondContact O-CB 3.42Å; R160-E164 WeakPolarHBondContact O-CG 3.39Å; R160-E164 PolarHBondContact O-N 3.06Å; E164-V167 PolarHBondContact O-N 2.98Å; E164-S168 WeakPolarHBondContact O-CB 3.33Å; E164-S168 PolarHBondContact O-N 3.31Å; E164-S168 PolarHBondContact O-OG 3.32Å
165S87Confident79Confident64 Ų6480.6 Ų80.645%0.44843%0.428SS..Hα-helixtrans-65.5-39.5173.9-62.30000112.5E161 E162 Y163 K169E161-S165 WeakPolarHBondContact O-CB 3.32Å; E161-S165 PolarHBondContact O-N 2.87Å; E161-S165 PolarHBondContact O-OG 3.33Å; E162-S165 WeakPolarHBondContact O-CB 3.27Å; E162-S165 PolarHBondContact O-N 2.81Å; Y163-S165 PolarHBondContact O-N 3.04Å; S165-K169 VanDerWaalsContact O-CG 3.25Å; S165-K169 WeakPolarHBondContact O-CG 3.47Å; S165-K169 PolarHBondContact O-N 3.22Å; S165-K169 VanDerWaalsContact O-N 3.11Å
166V85.8Confident77.4Confident40 Ų4080.1 Ų80.124%0.24243%0.432CS..Hα-helixtrans-66.2-48.8175.2172.40000110.5T23 L158 E162 Y163 S168 K169 R170T23-V166 HydrophobicContact CG2-CG1 4.34Å; L158-V166 HydrophobicContact CD1-CG2 4.16Å; E162-V166 WeakPolarHBondContact O-CG2 3.41Å; E162-V166 PolarHBondContact O-N 3.07Å; Y163-V166 WeakPolarHBondContact O-CB 3.26Å; Y163-V166 PolarHBondContact O-N 2.85Å; V166-S168 VanDerWaalsContact C-N 3.35Å; V166-S168 PolarHBondContact O-N 2.88Å; V166-K169 PolarHBondContact O-N 3.29Å; V166-R170 WeakPolarHBondContact O-CG 3.4Å; V166-R170 PolarHBondContact O-N 3.2Å; V166-R170 VanDerWaalsContact O-N 3.09Å
167V84.5Confident75.5Confident37 Ų3786.8 Ų86.822%0.22445%0.451CS..Hα-helixtrans-60.5-44.8179175.80000111Y163 E164 K169 R170 T171Y163-V167 HydrophobicContact CD1-CG2 4.3Å; Y163-V167 HydrophobicContact CD2-CG2 4.17Å; Y163-V167 HydrophobicContact CE1-CG2 3.86Å; Y163-V167 HydrophobicContact CE2-CG2 3.71Å; Y163-V167 HydrophobicContact CG-CG2 4.45Å; Y163-V167 WeakPolarHBondContact O-CG2 3.29Å; Y163-V167 PolarHBondContact O-N 3.48Å; E164-V167 PolarHBondContact O-N 2.98Å; V167-K169 VanDerWaalsContact C-N 3.31Å; V167-K169 PolarHBondContact O-N 3Å; V167-R170 PolarHBondContact O-N 2.92Å; V167-T171 PolarHBondContact O-N 3.1Å; V167-T171 PolarHBondContact O-OG1 2.79Å
168S83.5Confident73.5Confident59 Ų5992 Ų9241%0.41349%0.486SS..Hα-helixtrans-65.1-31.7178.6-61.40000113.5E164 V166 T171 K172E164-S168 WeakPolarHBondContact O-CB 3.33Å; E164-S168 PolarHBondContact O-N 3.31Å; E164-S168 PolarHBondContact O-OG 3.32Å; V166-S168 VanDerWaalsContact C-N 3.35Å; V166-S168 PolarHBondContact O-N 2.88Å; S168-T171 WeakPolarHBondContact CA-OG1 3.37Å; S168-T171 PolarHBondContact O-OG1 2.92Å; S168-K172 WeakPolarHBondContact O-CG 3.48Å; S168-K172 PolarHBondContact O-N 2.93Å
169K83.6Confident71.4Confident145 Ų14598.4 Ų98.463%0.6352%0.515SS*.Hα-helixtrans-68.2-44.9173-76.4171.1-176.4177.70110.5S165 V166 V167 T171 K172 S173S165-K169 VanDerWaalsContact O-CG 3.25Å; S165-K169 WeakPolarHBondContact O-CG 3.47Å; S165-K169 PolarHBondContact O-N 3.22Å; S165-K169 VanDerWaalsContact O-N 3.11Å; V166-K169 PolarHBondContact O-N 3.29Å; V167-K169 VanDerWaalsContact C-N 3.31Å; V167-K169 PolarHBondContact O-N 3Å; K169-T171 PolarHBondContact O-N 3.12Å; K169-K172 PolarHBondContact O-N 3.26Å; K169-S173 PolarHBondContact O-N 3.3Å; K169-S173 VanDerWaalsContact O-N 3.1Å; K169-S173 PolarHBondContact O-OG 2.83Å
170R78.8Confident69.6Low49 Ų49103.1 Ų103.119%0.18555%0.545CS..Hα-helixtrans-60.9-40.9179.1-68.4177.4-176.7161.70.8112.7D24 D32 V166 V167 S173 T174D24-R170 IonicContact OD1-CZ 3.04Å; D24-R170 IonicContact OD1-NH2 2.87Å; D24-R170 PolarHBondContact OD1-NH2 3.31Å; D24-R170 IonicContact OD2-NH2 3.86Å; D24-R170 PolarHBondContact OD2-NH2 2.83Å; D32-R170 IonicContact OD1-CZ 3.39Å; D32-R170 IonicContact OD1-NH1 3.63Å; D32-R170 PolarHBondContact OD1-NH1 3.24Å; D32-R170 IonicContact OD1-NH2 2.79Å; D32-R170 PolarHBondContact OD1-NH2 3.08Å; D32-R170 IonicContact OD2-CZ 3.33Å; D32-R170 IonicContact OD2-NH1 3.1Å; D32-R170 PolarHBondContact OD2-NH1 3.01Å; V166-R170 WeakPolarHBondContact O-CG 3.4Å; V166-R170 PolarHBondContact O-N 3.2Å; V166-R170 VanDerWaalsContact O-N 3.09Å; V167-R170 PolarHBondContact O-N 2.92Å; R170-S173 PolarHBondContact O-N 2.71Å; R170-T174 PolarHBondContact O-N 3.14Å; R170-T174 PolarHBondContact O-OG1 2.93Å
171T69.8Low68Low87 Ų87106.5 Ų106.553%0.53457%0.565SS.*Hα-helixtrans-67.2-35.4177.953.90000112.4V167 S168 K169 T174V167-T171 PolarHBondContact O-N 3.1Å; V167-T171 PolarHBondContact O-OG1 2.79Å; S168-T171 WeakPolarHBondContact CA-OG1 3.37Å; S168-T171 PolarHBondContact O-OG1 2.92Å; K169-T171 PolarHBondContact O-N 3.12Å; T171-T174 PolarHBondContact O-N 3.26Å
172K66.8Low66.4Low168 Ų168106.7 Ų106.773%0.7358%0.577SS**Hα-helixtrans-68.5-35.3174.9-72.4176.6-178.1-177.60113S168 K169 T174S168-K172 WeakPolarHBondContact O-CG 3.48Å; S168-K172 PolarHBondContact O-N 2.93Å; K169-K172 PolarHBondContact O-N 3.26Å; K172-T174 PolarHBondContact O-N 2.76Å
173S58.7Low64.8Low100 Ų100110.4 Ų110.470%0.69959%0.594SS**Hα-helixtrans-70.3-17.1176.2-37.60000114K169 R170K169-S173 PolarHBondContact O-N 3.3Å; K169-S173 VanDerWaalsContact O-N 3.1Å; K169-S173 PolarHBondContact O-OG 2.83Å; R170-S173 PolarHBondContact O-N 2.71Å
174T51.5Low63.2Low113 Ų113115.9 Ų115.969%0.69363%0.631SS**THydrogen-bonded Turntrans-97.64.4-174-490000112.5R170 T171 K172R170-T174 PolarHBondContact O-N 3.14Å; R170-T174 PolarHBondContact O-OG1 2.93Å; T171-T174 PolarHBondContact O-N 3.26Å; K172-T174 PolarHBondContact O-N 2.76Å
175Q40.4Very low62.1Low158 Ų158120.4 Ų120.474%0.73865%0.652SS**SBendtrans-76.9127.3167-67.4-132.3-18.500109.9E177Q175-E177 PolarHBondContact O-N 3.35Å
176P45.2Very low60.8Low115 Ų115123.3 Ų123.375%0.74767%0.67SS**PPolyproline II helixtrans-62.9132.6166-3.517.1000108.4
177E42.4Very low59.5Low181 Ų181130.3 Ų130.385%0.84670%0.7SS**PPolyproline II helixtrans-46.6131.7160.3-105.1170.7139.700109.2Q175 Q179Q175-E177 PolarHBondContact O-N 3.35Å; E177-Q179 PolarHBondContact O-N 3.44Å; E177-Q179 VanDerWaalsContact O-N 3.09Å
178P45.4Very low58.6Low119 Ų119134.7 Ų134.777%0.77373%0.729SS**PPolyproline II helixtrans-59.9118.1169.823.1-29.4000108.2
179Q46.1Very low57.2Low180 Ų180141.7 Ų141.784%0.84178%0.776SS**PPolyproline II helixtrans-55.4129.8173.3-65.7178.4-0.600108.5E177 E181E177-Q179 PolarHBondContact O-N 3.44Å; E177-Q179 VanDerWaalsContact O-N 3.09Å; Q179-E181 PolarHBondContact O-N 2.83Å
180P51.4Low55.9Low125 Ų125141.5 Ų141.581%0.81278%0.783SS**PPolyproline II helixtrans-62.6128.4172.723.5-29.2000109.1
181E55.4Low54.7Low178 Ų178146.4 Ų146.483%0.83281%0.814SS**PPolyproline II helixtrans-49.3138.1176.2-72.4174.9145.300111Q179 Q183Q179-E181 PolarHBondContact O-N 2.83Å; E181-Q183 PolarHBondContact O-N 3.04Å
182P53Low53.8Low127 Ų127149.7 Ų149.783%0.82583%0.83SS**PPolyproline II helixtrans-64.2120.6173.624.8-29.6000109.3
183Q55Low53.1Low178 Ų178148.6 Ų148.683%0.83284%0.836SS**PPolyproline II helixtrans-60.7137.8173.6-64.2179.4-400109.5E181 E185E181-Q183 PolarHBondContact O-N 3.04Å; Q183-E185 PolarHBondContact O-N 3.43Å
184P56.5Low52.7Low125 Ų125151.6 Ų151.681%0.81284%0.844SS**PPolyproline II helixtrans-64.6126.517525-30.3000109.8
185E62.5Low52.8Low180 Ų180154.2 Ų154.284%0.84185%0.854SS**PPolyproline II helixtrans-57.9140.1171.2-70.5-179.813800110.1Q183 E187Q183-E185 PolarHBondContact O-N 3.43Å; E185-E187 PolarHBondContact O-N 2.64Å
186P60Low53.7Low126 Ų126153.9 Ų153.982%0.81886%0.863SS**PPolyproline II helixtrans-69.7126.4174.327.3-31.5000110.4
187E58.7Low54.3Low186 Ų186156.9 Ų156.987%0.86987%0.871SS**PPolyproline II helixtrans-58.2134.9171.8-66.5-173119.900110.7E185E185-E187 PolarHBondContact O-N 2.64Å
188P66.3Low55.3Low129 Ų129154.9 Ų154.984%0.83887%0.874SS**PPolyproline II helixtrans-76132173.129.2-30.8000110.9
189C53.4Low56.2Low206 Ų206158.2 Ų158.2100%1.39288%0.883SS**  trans-71.40166.1-720000112.3

Retrieved 189 of 189 residues in 100.2 ms (Link to these results)

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