A0A087WTK8_HUMAN Loading...

Paralemmin-1

AlphaFold DB , UniProt , Accession A0A087WTK8, Species HUMAN (Homo sapiens, Human), Gene PALM, Length 242 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
1M38.5Very low43.4Very low215 Ų215153.5 Ų153.5100%1.05977%0.769SS**  0126.30-78.176.5166.600109.3Y3M1-Y3 PolarHBondContact O-N 3Å
2N36.4Very low43.9Very low169 Ų169160.8 Ų160.890%0.90478%0.781SS**  trans-76.5108.4175.4-78-56.9000109.3K4N2-K4 PolarHBondContact O-N 3.26Å
3Y40.3Very low44.4Very low221 Ų221154.1 Ų154.187%0.86776%0.755SS**  trans-70.199.7166-66.2-85.6000107.7M1 R5M1-Y3 PolarHBondContact O-N 3Å; Y3-R5 PolarHBondContact O-N 3.25Å
4K41.2Very low44.9Very low199 Ų199154.1 Ų154.187%0.86577%0.768SS**  trans-67.2103.6174-146.1176.1-174.5-175.10106.4N2 V6N2-K4 PolarHBondContact O-N 3.26Å; K4-V6 PolarHBondContact O-N 3.41Å
5R47.2Very low45.4Very low235 Ų235153.3 Ų153.389%0.88777%0.768SS**  trans-44.1111.9174.1-164.7-177.6-134.41612.4108.1Y3 S7Y3-R5 PolarHBondContact O-N 3.25Å; R5-S7 PolarHBondContact O-N 3.34Å
6V48.4Very low46Very low107 Ų107148.1 Ų148.165%0.64877%0.765SS**  trans-62.4113.6179.2-176.60000106.6K4 N8K4-V6 PolarHBondContact O-N 3.41Å; V6-N8 PolarHBondContact O-N 3.24Å
7S42.2Very low46.7Very low88 Ų88143.9 Ų143.962%0.61575%0.751SS**  trans-60.8108.6176.8-44.50000108.1R5 T9R5-S7 PolarHBondContact O-N 3.34Å; S7-T9 PolarHBondContact O-N 3.02Å
8N43Very low47.5Very low158 Ų158141.7 Ų141.785%0.84575%0.747SS**  trans-67.981.4153.8-74.3-58.8000106V6 P10V6-N8 PolarHBondContact O-N 3.24Å; N8-P10 WeakPolarHBondContact O-CD 3.42Å
9T46.7Very low48.7Very low112 Ų112138.2 Ų138.269%0.68773%0.727SS**  trans-70.3112.7171.520.50000107.5S7 L11S7-T9 PolarHBondContact O-N 3.02Å; T9-L11 PolarHBondContact O-N 3.46Å
10P46.4Very low50.1Low91 Ų91136.1 Ų136.159%0.59171%0.714SS**  trans-65.7122.2173.8-11.128000107.1N8 R12N8-P10 WeakPolarHBondContact O-CD 3.42Å; P10-R12 PolarHBondContact O-N 3.06Å; P10-R12 VanDerWaalsContact O-N 3.09Å
11L46.9Very low51.5Low93 Ų93132.8 Ų132.849%0.48769%0.694SS.*  trans-64.3112.5169.8-73175000107.1T9 T13 E64T9-L11 PolarHBondContact O-N 3.46Å; L11-T13 PolarHBondContact O-N 2.95Å; L11-E64 HydrophobicContact CD1-CG 4.31Å
12R50.1Low53.6Low242 Ų242122.8 Ų122.891%0.91365%0.646SS**  trans-77.1110.7173.7-67.8-161.1170.1-165.8-3.4108.2P10P10-R12 PolarHBondContact O-N 3.06Å; P10-R12 VanDerWaalsContact O-N 3.09Å
13T49.3Very low55.9Low73 Ų73115.4 Ų115.445%0.44861%0.608SS.*  trans-74155.1164.445.90000109.8L11 D15 G16L11-T13 PolarHBondContact O-N 2.95Å; T13-D15 PolarHBondContact O-N 3.07Å; T13-G16 PolarHBondContact O-N 3.3Å
14V52.2Low58Low155 Ų155107.3 Ų107.394%0.93958%0.579SS**THydrogen-bonded Turntrans-61.5-7.8-174.270.30000114.3
15D52.6Low60.2Low142 Ų142103.5 Ų103.576%0.75956%0.56SS**THydrogen-bonded Turntrans-116.518.4-177-138.6-109.2000114.3T13 S17T13-D15 PolarHBondContact O-N 3.07Å; D15-S17 VanDerWaalsContact C-N 3.3Å; D15-S17 PolarHBondContact O-N 3.42Å
16G55Low62.1Low70 Ų7092.5 Ų92.572%0.72252%0.519SS*.  trans73.4-0.8157.800000118.6T13T13-G16 PolarHBondContact O-N 3.3Å
17S58Low64.2Low76 Ų7688.6 Ų88.653%0.53150%0.495SS..  trans-91121.7171.5-63.70000111.2D15 M19D15-S17 VanDerWaalsContact C-N 3.3Å; D15-S17 PolarHBondContact O-N 3.42Å; S17-M19 PolarHBondContact O-N 3.3Å
18P60.4Low66.5Low105 Ų10586.8 Ų86.868%0.68248%0.477SS*.  trans-74.194178.830-32.8000110.4
19M71.1Confident68.8Low75 Ų7581.2 Ų81.237%0.36945%0.447SS..  trans-74.2135.2168.5-69175.8170.800109.9S17 N162 V163 E164S17-M19 PolarHBondContact O-N 3.3Å; M19-N162 HydrophobicContact CB-CB 4.32Å; M19-N162 HydrophobicContact SD-CB 4.12Å; M19-V163 CarbonylContact C-O 3.45Å; M19-V163 VanDerWaalsContact CA-O 3.29Å; M19-V163 WeakPolarHBondContact CA-O 3.41Å; M19-E164 HydrophobicContact CE-CG 4.47Å
20M76.4Confident71Confident95 Ų9576.9 Ų76.947%0.46842%0.42SS..EExtended strand (participates in β ladder)trans-83.2154.6171.8-63.6-166.4-174.700110.4N162 V163 E166M20-N162 WeakPolarHBondContact O-CA 3.33Å; M20-V163 HydrophobicContact CB-CG2 4.04Å; M20-V163 PolarHBondContact N-O 3.49Å; M20-V163 WeakPolarHBondContact O-CG2 3.36Å; M20-V163 PolarHBondContact O-N 3.21Å; M20-E166 HydrophobicContact CE-CG 4.24Å; M20-E166 HydrophobicContact SD-CG 3.69Å
21K78.3Confident73.2Confident67 Ų6773.8 Ų73.829%0.29140%0.4SS..EExtended strand (participates in β ladder)trans-98.3111.1170.6-74.2-167.6-179.4-172.30109D63 E64 Y160K21-D63 PolarHBondContact NZ-O 3.26Å; K21-E64 VanDerWaalsContact CE-O 3.27Å; K21-E64 WeakPolarHBondContact CE-O 3.47Å; K21-E64 PolarHBondContact NZ-O 3.46Å; K21-Y160 HydrophobicContact CB-CD1 3.73Å; K21-Y160 HydrophobicContact CB-CE1 4.47Å; K21-Y160 HydrophobicContact CB-CG 4.28Å; K21-Y160 HydrophobicContact CD-CG 4.48Å
22A83.4Confident75.2Confident6 Ų670.8 Ų70.85%0.0538%0.383CS..EExtended strand (participates in β ladder)trans-94.8126.9173.400000110.2Y160 Q161 V163 T169A22-Y160 CarbonylContact O-C 3.6Å; A22-Y160 VanDerWaalsContact O-CA 3.24Å; A22-Y160 WeakPolarHBondContact O-CA 3.35Å; A22-Q161 PolarHBondContact N-O 2.77Å; A22-Q161 PolarHBondContact O-N 2.84Å; A22-V163 HydrophobicContact CB-CG1 4.1Å; A22-V163 HydrophobicContact CB-CG2 3.86Å; A22-T169 HydrophobicContact CB-CG2 3.37Å
23A84.7Confident77.1Confident13 Ų1364.4 Ų64.411%0.10736%0.362CS..EExtended strand (participates in β ladder)trans-70.6131.2169.100000108.8P50 M158 G159 Y160 L173A23-P50 HydrophobicContact CB-CB 3.73Å; A23-P50 HydrophobicContact CB-CG 4.21Å; A23-P50 WeakPolarHBondContact O-CG 3.19Å; A23-M158 HydrophobicContact CB-CE 3.54Å; A23-G159 CarbonylContact C-O 3.53Å; A23-G159 VanDerWaalsContact CA-O 3.29Å; A23-G159 WeakPolarHBondContact CA-O 3.46Å; A23-Y160 HydrophobicContact CB-CD1 4.17Å; A23-Y160 HydrophobicContact CB-CE1 3.98Å; A23-L173 WeakPolarHBondContact O-CD2 3.11Å
24M85.4Confident78.9Confident52 Ų5263 Ų6326%0.25635%0.352SS..EExtended strand (participates in β ladder)trans-97.3-34.9-178.9-70.4-56.6-62.400112.8P50 G159 Q161 V172 L173M24-P50 WeakPolarHBondContact O-CD 3.26Å; M24-G159 PolarHBondContact N-O 2.78Å; M24-Q161 HydrophobicContact CG-CB 3.79Å; M24-Q161 HydrophobicContact SD-CB 4.31Å; M24-V172 HydrophobicContact CE-CG1 3.31Å; M24-V172 HydrophobicContact SD-CG1 3.35Å; M24-V172 WeakPolarHBondContact SD-CG1 3.38Å; M24-L173 HydrophobicContact CE-CD2 4.13Å; M24-L173 HydrophobicContact SD-CD2 3.71Å
25Y85.9Confident80.4Confident119 Ų11961.2 Ų61.247%0.46733%0.331SS..EExtended strand (participates in β ladder)trans-154.2158.9178.462.1-88.6000109.1V27 G159Y25-V27 HydrophobicContact CD2-CG2 3.93Å; Y25-V27 HydrophobicContact CE2-CG2 4.11Å; Y25-G159 PolarHBondContact O-N 3Å; Y25-G159 VanDerWaalsContact O-N 3.08Å
26S88Confident82Confident3 Ų360.5 Ų60.52%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-125.5141.3167.745.90000109.8T47 L48 F157S26-T47 CarbonylContact O-C 3.55Å; S26-T47 WeakPolarHBondContact O-CA 3.3Å; S26-L48 PolarHBondContact N-O 3.5Å; S26-L48 PolarHBondContact O-N 2.86Å; S26-L48 PolarHBondContact OG-O 2.75Å; S26-F157 CarbonylContact C-O 3.59Å; S26-F157 WeakPolarHBondContact CA-O 3.46Å
27V91.4Very high83.6Confident25 Ų2561.4 Ų61.415%0.15232%0.324CS..EExtended strand (participates in β ladder)trans-118.7119.2172.4-171.50000108.1Y25 I29 T46 T47 I156 F157Y25-V27 HydrophobicContact CD2-CG2 3.93Å; Y25-V27 HydrophobicContact CE2-CG2 4.11Å; V27-I29 HydrophobicContact CG1-CD1 4.22Å; V27-I29 HydrophobicContact CG1-CG1 3.85Å; V27-T46 CarbonylContact C-O 3.56Å; V27-T46 WeakPolarHBondContact CA-O 3.24Å; V27-T47 HydrophobicContact CG2-CG2 4.47Å; V27-I156 CarbonylContact O-C 3.5Å; V27-I156 WeakPolarHBondContact O-CA 3.36Å; V27-F157 HydrophobicContact CB-CB 4.27Å; V27-F157 PolarHBondContact N-O 3.01Å; V27-F157 PolarHBondContact O-N 2.88Å
28E91.3Very high85Confident51 Ų5160 Ų6024%0.23832%0.321CS..EExtended strand (participates in β ladder)trans-98.9118.4175.1-61.3-176.9168.800108.5S45 T46 L48 T154 I156E28-S45 CarbonylContact O-C 3.56Å; E28-S45 VanDerWaalsContact O-CA 3.3Å; E28-S45 WeakPolarHBondContact O-CA 3.37Å; E28-T46 PolarHBondContact N-O 3.02Å; E28-T46 PolarHBondContact O-N 3.1Å; E28-L48 HydrophobicContact CG-CD1 4.29Å; E28-T154 HydrophobicContact CB-CG2 4.46Å; E28-I156 HydrophobicContact CG-CG1 4.18Å; E28-I156 HydrophobicContact CG-CG2 4.28Å
29I92.3Very high86.4Confident40 Ų4060.4 Ų60.421%0.20531%0.314CS..EExtended strand (participates in β ladder)trans-118.8113.9180-52.5-175.5000108.1V27 V31 V42 S44 T154 M155 F157V27-I29 HydrophobicContact CG1-CD1 4.22Å; V27-I29 HydrophobicContact CG1-CG1 3.85Å; I29-V31 HydrophobicContact CG2-CG1 3.98Å; I29-V42 HydrophobicContact CG2-CG1 3.9Å; I29-S44 CarbonylContact C-O 3.58Å; I29-S44 WeakPolarHBondContact CA-O 3.18Å; I29-T154 CarbonylContact O-C 3.43Å; I29-T154 WeakPolarHBondContact O-CA 3.26Å; I29-M155 PolarHBondContact N-O 2.78Å; I29-M155 PolarHBondContact O-N 2.77Å; I29-F157 HydrophobicContact CB-CE2 4.42Å; I29-F157 HydrophobicContact CD1-CD2 3.96Å; I29-F157 HydrophobicContact CD1-CE2 3.64Å; I29-F157 HydrophobicContact CD1-CZ 4.49Å; I29-F157 HydrophobicContact CG1-CD2 4.19Å; I29-F157 HydrophobicContact CG1-CE2 4.09Å
30T90.9Very high87.4Confident21 Ų2160.9 Ų60.913%0.12932%0.321CS..EExtended strand (participates in β ladder)trans-97.2125.2174.3-58.50000109.1L43 S44 P152 V153 T154T30-L43 HydrophobicContact CG2-CB 4.35Å; T30-L43 HydrophobicContact CG2-CD1 4.21Å; T30-L43 WeakPolarHBondContact O-CB 3.33Å; T30-L43 PolarHBondContact O-N 3.04Å; T30-S44 WeakPolarHBondContact CB-OG 3.44Å; T30-S44 PolarHBondContact N-O 3.34Å; T30-S44 PolarHBondContact O-N 3.02Å; T30-S44 PolarHBondContact OG1-OG 3.26Å; T30-P152 HydrophobicContact CG2-CB 3.71Å; T30-P152 HydrophobicContact CG2-CG 4.29Å; T30-V153 WeakPolarHBondContact CA-O 3.29Å; T30-T154 PolarHBondContact OG1-OG1 3.08Å
31V92.6Very high88.1Confident26 Ų2663.4 Ų63.416%0.15833%0.325CS..EExtended strand (participates in β ladder)trans-119.7142.7179.7-58.80000110.8I29 T40 R41 V42 P152 V153I29-V31 HydrophobicContact CG2-CG1 3.98Å; V31-T40 HydrophobicContact CB-CG2 3.79Å; V31-T40 HydrophobicContact CG1-CG2 4.29Å; V31-T40 HydrophobicContact CG2-CG2 4.09Å; V31-R41 CarbonylContact C-O 3.59Å; V31-R41 VanDerWaalsContact CA-O 3.26Å; V31-R41 WeakPolarHBondContact CA-O 3.34Å; V31-V42 HydrophobicContact CG1-CG2 4.16Å; V31-P152 CarbonylContact O-C 3.56Å; V31-P152 WeakPolarHBondContact O-CA 3.41Å; V31-P152 VanDerWaalsContact O-CB 3.3Å; V31-P152 WeakPolarHBondContact O-CB 3.34Å; V31-V153 HydrophobicContact CG2-CB 4.31Å; V31-V153 PolarHBondContact N-O 2.86Å; V31-V153 PolarHBondContact O-N 2.77Å
32E89.9Confident88.8Confident30 Ų3064.9 Ų64.914%0.1434%0.34CS..EExtended strand (participates in β ladder)trans-108.2139.1169.6-173.8-179.2-112.900109T40 R41 L43 Q149E32-T40 CarbonylContact O-C 3.55Å; E32-T40 WeakPolarHBondContact O-CA 3.49Å; E32-R41 PolarHBondContact N-O 2.7Å; E32-R41 PolarHBondContact O-N 3.38Å; E32-L43 HydrophobicContact CB-CD1 3.96Å; E32-L43 HydrophobicContact CB-CD2 3.91Å; E32-L43 HydrophobicContact CB-CG 3.89Å; E32-Q149 PolarHBondContact OE1-NE2 2.65Å; E32-Q149 PolarHBondContact OE2-NE2 3.48Å
33K89.2Confident89.2Confident108 Ų10869 Ų6947%0.4736%0.36SS..EExtended strand (participates in β ladder)trans-110.2119.8174.4-172.7179.3177.8-176.60110K35K33-K35 PolarHBondContact O-N 3.13Å
34D87.1Confident89.4Confident43 Ų4370.7 Ų70.723%0.2337%0.372CS..BIsolated β-bridgetrans-74.4119.4170.7-178.8-23.8000109V36 T37 G38 E39D34-V36 WeakPolarHBondContact OD1-CA 2.96Å; D34-V36 WeakPolarHBondContact OD1-CB 3.38Å; D34-V36 PolarHBondContact OD1-N 3.05Å; D34-T37 VanDerWaalsContact CB-OG1 3.26Å; D34-T37 WeakPolarHBondContact CB-OG1 3.17Å; D34-T37 PolarHBondContact OD1-N 3.47Å; D34-T37 PolarHBondContact OD1-OG1 3.03Å; D34-T37 WeakPolarHBondContact OD2-CG2 3.49Å; D34-T37 PolarHBondContact OD2-OG1 3.44Å; D34-G38 CarbonylContact O-C 3.59Å; D34-G38 WeakPolarHBondContact O-CA 3.41Å; D34-G38 PolarHBondContact O-N 3.02Å; D34-E39 PolarHBondContact N-O 2.99Å
35K84.9Confident89.8Confident118 Ų11871.9 Ų71.951%0.51339%0.385SS..THydrogen-bonded Turntrans-77.1-22.4-179.7-62.2-173.5-180-156.60113.6K33 G148 E150K33-K35 PolarHBondContact O-N 3.13Å; K35-G148 VanDerWaalsContact CB-O 3.24Å; K35-G148 WeakPolarHBondContact CB-O 3.48Å; K35-G148 WeakPolarHBondContact CD-O 3.31Å; K35-G148 WeakPolarHBondContact CG-O 3.34Å; K35-G148 PolarHBondContact N-O 3.41Å; K35-E150 VanDerWaalsContact CE-CB 3.4Å; K35-E150 WeakPolarHBondContact CE-OE2 3.37Å; K35-E150 IonicContact NZ-OE2 3.43Å; K35-E150 PolarHBondContact NZ-OE2 3.35Å
36V85.4Confident90Very high127 Ų12769.3 Ų69.377%0.7738%0.382SS*.THydrogen-bonded Turntrans-79.9-46.8-178.8-176.70000109.8D34D34-V36 WeakPolarHBondContact OD1-CA 2.96Å; D34-V36 WeakPolarHBondContact OD1-CB 3.38Å; D34-V36 PolarHBondContact OD1-N 3.05Å
37T88.3Confident90.1Very high90 Ų9073.9 Ų73.955%0.55241%0.41SS*.THydrogen-bonded Turntrans-93.7-21.8-178.163.60000113.2D34 E39D34-T37 VanDerWaalsContact CB-OG1 3.26Å; D34-T37 WeakPolarHBondContact CB-OG1 3.17Å; D34-T37 PolarHBondContact OD1-N 3.47Å; D34-T37 PolarHBondContact OD1-OG1 3.03Å; D34-T37 WeakPolarHBondContact OD2-CG2 3.49Å; D34-T37 PolarHBondContact OD2-OG1 3.44Å; T37-E39 PolarHBondContact O-N 3.07Å; T37-E39 WeakPolarHBondContact OG1-CB 3.45Å; T37-E39 PolarHBondContact OG1-N 3.25Å
38G88.3Confident89.7Confident46 Ų4675.8 Ų75.847%0.47442%0.419SS..  trans764.4-171.200000113.7D34D34-G38 CarbonylContact O-C 3.59Å; D34-G38 WeakPolarHBondContact O-CA 3.41Å; D34-G38 PolarHBondContact O-N 3.02Å
39E90.1Very high89.2Confident114 Ų11479 Ų7953%0.53344%0.437SS..  trans-73.8134.4-179.7-169.6-176.9159.900111D34 T37 R41D34-E39 PolarHBondContact N-O 2.99Å; T37-E39 PolarHBondContact O-N 3.07Å; T37-E39 WeakPolarHBondContact OG1-CB 3.45Å; T37-E39 PolarHBondContact OG1-N 3.25Å; E39-R41 HydrophobicContact CG-CG 4.26Å
40T90.4Very high88.2Confident85 Ų8578.3 Ų78.352%0.52144%0.435SS..EExtended strand (participates in β ladder)trans-99.5123.1170.5-59.30000109.2V31 E32V31-T40 HydrophobicContact CB-CG2 3.79Å; V31-T40 HydrophobicContact CG1-CG2 4.29Å; V31-T40 HydrophobicContact CG2-CG2 4.09Å; E32-T40 CarbonylContact O-C 3.55Å; E32-T40 WeakPolarHBondContact O-CA 3.49Å
41R91.5Very high86.7Confident147 Ų14787.1 Ų87.156%0.55547%0.466SS*.EExtended strand (participates in β ladder)trans-111.2136.4178.7-62.1179.668.3-1720.4110V31 E32 E39V31-R41 CarbonylContact C-O 3.59Å; V31-R41 VanDerWaalsContact CA-O 3.26Å; V31-R41 WeakPolarHBondContact CA-O 3.34Å; E32-R41 PolarHBondContact N-O 2.7Å; E32-R41 PolarHBondContact O-N 3.38Å; E39-R41 HydrophobicContact CG-CG 4.26Å
42V94Very high84.9Confident98 Ų9894.9 Ų94.959%0.59450%0.5SS*.EExtended strand (participates in β ladder)trans-81.5120.5173.5-177.80000108.5I29 V31I29-V42 HydrophobicContact CG2-CG1 3.9Å; V31-V42 HydrophobicContact CG1-CG2 4.16Å
43L91.3Very high83.3Confident92 Ų9299.1 Ų99.148%0.48253%0.531SS..EExtended strand (participates in β ladder)trans-85.5-42.5176.1-61.7-171.9000111.5T30 E32 P152T30-L43 HydrophobicContact CG2-CB 4.35Å; T30-L43 HydrophobicContact CG2-CD1 4.21Å; T30-L43 WeakPolarHBondContact O-CB 3.33Å; T30-L43 PolarHBondContact O-N 3.04Å; E32-L43 HydrophobicContact CB-CD1 3.96Å; E32-L43 HydrophobicContact CB-CD2 3.91Å; E32-L43 HydrophobicContact CB-CG 3.89Å; L43-P152 HydrophobicContact CD1-CB 3.75Å; L43-P152 HydrophobicContact CD1-CG 4.17Å
44S90.1Very high81.8Confident50 Ų5096.6 Ų96.635%0.3552%0.522SS..EExtended strand (participates in β ladder)trans-151.1153.9179.964.90000111.8I29 T30I29-S44 CarbonylContact C-O 3.58Å; I29-S44 WeakPolarHBondContact CA-O 3.18Å; T30-S44 WeakPolarHBondContact CB-OG 3.44Å; T30-S44 PolarHBondContact N-O 3.34Å; T30-S44 PolarHBondContact O-N 3.02Å; T30-S44 PolarHBondContact OG1-OG 3.26Å
45S93.4Very high80.6Confident76 Ų7697.9 Ų97.953%0.53153%0.533SS..EExtended strand (participates in β ladder)trans-145.5108.7173.7172.20000108.4E28E28-S45 CarbonylContact O-C 3.56Å; E28-S45 VanDerWaalsContact O-CA 3.3Å; E28-S45 WeakPolarHBondContact O-CA 3.37Å
46T89.1Confident79.6Confident66 Ų66100.7 Ų100.741%0.40555%0.552SS.*EExtended strand (participates in β ladder)trans-121.6128.1-176.3-56.10000110V27 E28 L48V27-T46 CarbonylContact C-O 3.56Å; V27-T46 WeakPolarHBondContact CA-O 3.24Å; E28-T46 PolarHBondContact N-O 3.02Å; E28-T46 PolarHBondContact O-N 3.1Å; T46-L48 HydrophobicContact CG2-CD2 3.68Å; T46-L48 HydrophobicContact CG2-CG 3.97Å
47T89.7Confident79.2Confident99 Ų9995.9 Ų95.961%0.60753%0.529SS*.EExtended strand (participates in β ladder)trans-93.3124.1171.3-55.90000109.3S26 V27S26-T47 CarbonylContact O-C 3.55Å; S26-T47 WeakPolarHBondContact O-CA 3.3Å; V27-T47 HydrophobicContact CG2-CG2 4.47Å
48L83.8Confident79.1Confident65 Ų6597.5 Ų97.534%0.3453%0.533SS..EExtended strand (participates in β ladder)trans-121.3150.1-178.4-61.5177.3000110.2S26 E28 T46S26-L48 PolarHBondContact N-O 3.5Å; S26-L48 PolarHBondContact O-N 2.86Å; S26-L48 PolarHBondContact OG-O 2.75Å; E28-L48 HydrophobicContact CG-CD1 4.29Å; T46-L48 HydrophobicContact CG2-CD2 3.68Å; T46-L48 HydrophobicContact CG2-CG 3.97Å
49L80.9Confident79.1Confident119 Ų11999.3 Ų99.362%0.62353%0.527SS*.  trans-63.3146.4162-71.3173.6000108.9R51L49-R51 VanDerWaalsContact C-N 3.3Å; L49-R51 PolarHBondContact O-N 2.68Å
50P71.3Confident79.2Confident25 Ų2597.8 Ų97.816%0.16253%0.526CS..  trans-68.590.3-179.719.3-17.7000109.3A23 M24 L173A23-P50 HydrophobicContact CB-CB 3.73Å; A23-P50 HydrophobicContact CB-CG 4.21Å; A23-P50 WeakPolarHBondContact O-CG 3.19Å; M24-P50 WeakPolarHBondContact O-CD 3.26Å; P50-L173 HydrophobicContact CG-CD1 4.39Å; P50-L173 HydrophobicContact CG-CD2 4.04Å
51R59.4Low79.2Confident205 Ų20598.7 Ų98.777%0.77452%0.521SS*.PPolyproline II helixtrans-83.6119.4174.9-73-175.8170.7162-1108.5L49 L54L49-R51 VanDerWaalsContact C-N 3.3Å; L49-R51 PolarHBondContact O-N 2.68Å; R51-L54 WeakPolarHBondContact O-CD1 3.46Å
52Q55.6Low79.2Confident189 Ų18996.6 Ų96.688%0.88352%0.517SS*.SBendtrans-85.2136175.9-155.7170.115.400109.4
53P55.5Low78.9Confident120 Ų12093.9 Ų93.978%0.77950%0.499SS*.SBendcis-91.2131.22.76.813.2000112.2
54L57.5Low78.6Confident55 Ų5596 Ų9629%0.28851%0.507SS..PPolyproline II helixtrans-71.2148.9173.8-78.5106000112R51 I156 M158R51-L54 WeakPolarHBondContact O-CD1 3.46Å; L54-I156 HydrophobicContact CD2-CG2 4.14Å; L54-M158 HydrophobicContact CB-SD 4.36Å; L54-M158 HydrophobicContact CD1-CE 3.48Å; L54-M158 VanDerWaalsContact CD1-CE 3.48Å; L54-M158 HydrophobicContact CD1-SD 4.21Å; L54-M158 HydrophobicContact CD2-CE 4.01Å; L54-M158 HydrophobicContact CD2-CG 4.03Å; L54-M158 HydrophobicContact CD2-SD 3.77Å; L54-M158 HydrophobicContact CG-CE 4.22Å; L54-M158 HydrophobicContact CG-SD 4.32Å
55P61.3Low78.2Confident69 Ų6997.5 Ų97.545%0.44851%0.514SS..PPolyproline II helixtrans-85.6165.9-152.9-10.429.6000115.6G57 I156P55-G57 PolarHBondContact O-N 2.96Å; P55-I156 HydrophobicContact CG-CD1 4.29Å
56L65.7Low77.9Confident177 Ų17797.7 Ų97.793%0.92751%0.505SS*.SBendtrans-46.674.9176.4-96.179000114.8
57G75.3Confident77.9Confident27 Ų2794.8 Ų94.828%0.27849%0.487SS..  trans-122.6156.4174.400000114P55 A70P55-G57 PolarHBondContact O-N 2.96Å; G57-A70 CarbonylContact C-O 3.48Å; G57-A70 VanDerWaalsContact CA-O 3.25Å; G57-A70 WeakPolarHBondContact CA-O 3.15Å
58I86Confident77.9Confident123 Ų12390.3 Ų90.363%0.63146%0.46SS*.EExtended strand (participates in β ladder)trans-79.5122.7172.2-60.7169.2000107.9V60 H69 A70I58-V60 HydrophobicContact CG2-CG1 4.31Å; I58-V60 PolarHBondContact O-N 2.8Å; I58-V60 VanDerWaalsContact O-N 3.07Å; I58-H69 CarbonylContact O-C 3.51Å; I58-H69 VanDerWaalsContact O-CA 3.3Å; I58-H69 WeakPolarHBondContact O-CA 3.24Å; I58-A70 PolarHBondContact N-O 3.27Å; I58-A70 PolarHBondContact O-N 2.8Å
59K90.1Very high78.2Confident84 Ų8489 Ų8937%0.36545%0.452SS..EExtended strand (participates in β ladder)trans-67.9106172.7-171.417182178.80109.5E62 V67K59-E62 HydrophobicContact CD-CB 4.09Å; K59-E62 WeakPolarHBondContact CE-OE2 3.47Å; K59-E62 IonicContact NZ-OE1 2.86Å; K59-E62 PolarHBondContact NZ-OE1 3.26Å; K59-E62 IonicContact NZ-OE2 2.59Å; K59-E62 PolarHBondContact NZ-OE2 3.32Å; K59-V67 HydrophobicContact CD-CG1 3.59Å; K59-V67 HydrophobicContact CG-CG1 3.66Å
60V91.1Very high78.6Confident83 Ų8384.5 Ų84.550%0.50343%0.432SS..EExtended strand (participates in β ladder)trans-96.2-23.9-177.6-66.80000112.4I58 V68 A70I58-V60 HydrophobicContact CG2-CG1 4.31Å; I58-V60 PolarHBondContact O-N 2.8Å; I58-V60 VanDerWaalsContact O-N 3.07Å; V60-V68 HydrophobicContact CG2-CB 4Å; V60-V68 HydrophobicContact CG2-CG1 3.91Å; V60-V68 WeakPolarHBondContact CG2-O 3.29Å; V60-V68 PolarHBondContact N-O 2.87Å; V60-A70 HydrophobicContact CG1-CB 3.73Å; V60-A70 HydrophobicContact CG2-CB 4.37Å
61Y90.8Very high79.3Confident104 Ų10484.5 Ų84.541%0.40843%0.431SS..EExtended strand (participates in β ladder)trans-147.4143.1178.7-178.6-86.9000111.1D63 K66 V67 V68Y61-D63 HydrophobicContact CE1-CB 3.89Å; Y61-D63 PolarHBondContact OH-OD2 3.06Å; Y61-D63 VanDerWaalsContact OH-OD2 3.1Å; Y61-K66 HydrophobicContact CD1-CD 4.5Å; Y61-K66 HydrophobicContact CD1-CG 4.36Å; Y61-K66 HydrophobicContact CE1-CD 3.97Å; Y61-K66 HydrophobicContact CE1-CG 3.81Å; Y61-K66 PolarHBondContact OH-NZ 3.02Å; Y61-V67 CarbonylContact O-C 3.52Å; Y61-V67 WeakPolarHBondContact O-CA 3.45Å; Y61-V67 WeakPolarHBondContact O-CG1 3.18Å; Y61-V68 HydrophobicContact CD1-CG2 4.06Å; Y61-V68 HydrophobicContact CG-CG2 4.35Å; Y61-V68 PolarHBondContact N-O 3.43Å; Y61-V68 PolarHBondContact O-N 3.38Å
62E91.6Very high80.2Confident103 Ų10379.6 Ų79.648%0.48142%0.42SS..EExtended strand (participates in β ladder)trans-149.6131.7172.7172.2173.2-112.100109.5K59 K66 V67K59-E62 HydrophobicContact CD-CB 4.09Å; K59-E62 WeakPolarHBondContact CE-OE2 3.47Å; K59-E62 IonicContact NZ-OE1 2.86Å; K59-E62 PolarHBondContact NZ-OE1 3.26Å; K59-E62 IonicContact NZ-OE2 2.59Å; K59-E62 PolarHBondContact NZ-OE2 3.32Å; E62-K66 WeakPolarHBondContact CA-O 3.32Å; E62-V67 HydrophobicContact CB-CG2 4.22Å; E62-V67 HydrophobicContact CG-CG2 3.95Å
63D88.3Confident80.7Confident41 Ų4170.9 Ų70.922%0.21938%0.382CS..  trans-128.3-165.1164.572.126.1000111K21 Y61 T65 K66K21-D63 PolarHBondContact NZ-O 3.26Å; Y61-D63 HydrophobicContact CE1-CB 3.89Å; Y61-D63 PolarHBondContact OH-OD2 3.06Å; Y61-D63 VanDerWaalsContact OH-OD2 3.1Å; D63-T65 VanDerWaalsContact C-N 3.25Å; D63-T65 PolarHBondContact O-N 3.17Å; D63-T65 WeakPolarHBondContact OD1-CA 3.23Å; D63-T65 PolarHBondContact OD1-N 3.03Å; D63-T65 PolarHBondContact OD1-OG1 3.2Å; D63-K66 VanDerWaalsContact CG-CG 3.43Å; D63-K66 PolarHBondContact N-O 3.07Å; D63-K66 VanDerWaalsContact OD1-CG 3.23Å; D63-K66 WeakPolarHBondContact OD1-CG 3.25Å; D63-K66 PolarHBondContact OD1-N 3.4Å; D63-K66 WeakPolarHBondContact OD2-CE 3.38Å; D63-K66 WeakPolarHBondContact OD2-CG 3.3Å; D63-K66 IonicContact OD2-NZ 2.66Å; D63-K66 PolarHBondContact OD2-NZ 3.49Å
64E83.9Confident80.8Confident136 Ų13668.1 Ų68.164%0.63636%0.362SS*.SBendtrans-64.2-31.9179.7-63.2-172.7152.700112.8L11 K21L11-E64 HydrophobicContact CD1-CG 4.31Å; K21-E64 VanDerWaalsContact CE-O 3.27Å; K21-E64 WeakPolarHBondContact CE-O 3.47Å; K21-E64 PolarHBondContact NZ-O 3.46Å
65T81.8Confident80.5Confident82 Ų8269.7 Ų69.750%0.50338%0.384SS..SBendtrans-117.4-14.9-166.6620000114.9D63 G159 Y160D63-T65 VanDerWaalsContact C-N 3.25Å; D63-T65 PolarHBondContact O-N 3.17Å; D63-T65 WeakPolarHBondContact OD1-CA 3.23Å; D63-T65 PolarHBondContact OD1-N 3.03Å; D63-T65 PolarHBondContact OD1-OG1 3.2Å; T65-G159 CarbonylContact O-C 3.58Å; T65-G159 WeakPolarHBondContact O-CA 3.47Å; T65-Y160 PolarHBondContact O-N 2.93Å
66K88Confident80.1Confident79 Ų7974.6 Ų74.634%0.34340%0.401SS..EExtended strand (participates in β ladder)trans-146.2147.6-177.360.7170-171.2-66.50113Y61 E62 D63 M158Y61-K66 HydrophobicContact CD1-CD 4.5Å; Y61-K66 HydrophobicContact CD1-CG 4.36Å; Y61-K66 HydrophobicContact CE1-CD 3.97Å; Y61-K66 HydrophobicContact CE1-CG 3.81Å; Y61-K66 PolarHBondContact OH-NZ 3.02Å; E62-K66 WeakPolarHBondContact CA-O 3.32Å; D63-K66 VanDerWaalsContact CG-CG 3.43Å; D63-K66 PolarHBondContact N-O 3.07Å; D63-K66 VanDerWaalsContact OD1-CG 3.23Å; D63-K66 WeakPolarHBondContact OD1-CG 3.25Å; D63-K66 PolarHBondContact OD1-N 3.4Å; D63-K66 WeakPolarHBondContact OD2-CE 3.38Å; D63-K66 WeakPolarHBondContact OD2-CG 3.3Å; D63-K66 IonicContact OD2-NZ 2.66Å; D63-K66 PolarHBondContact OD2-NZ 3.49Å; K66-M158 CarbonylContact C-O 3.55Å; K66-M158 WeakPolarHBondContact CA-O 3.25Å
67V88.8Confident79.3Confident5 Ų570.7 Ų70.73%0.0338%0.381CS..EExtended strand (participates in β ladder)trans-128.1140.8169.5-178.90000108.9K59 Y61 E62 H69 F157 M158 Y160K59-V67 HydrophobicContact CD-CG1 3.59Å; K59-V67 HydrophobicContact CG-CG1 3.66Å; Y61-V67 CarbonylContact O-C 3.52Å; Y61-V67 WeakPolarHBondContact O-CA 3.45Å; Y61-V67 WeakPolarHBondContact O-CG1 3.18Å; E62-V67 HydrophobicContact CB-CG2 4.22Å; E62-V67 HydrophobicContact CG-CG2 3.95Å; V67-H69 WeakPolarHBondContact CG1-CE1 3.33Å; V67-F157 CarbonylContact O-C 3.51Å; V67-F157 WeakPolarHBondContact O-CA 3.39Å; V67-M158 PolarHBondContact N-O 3.34Å; V67-M158 PolarHBondContact O-N 3.1Å; V67-Y160 HydrophobicContact CB-CE2 3.63Å; V67-Y160 HydrophobicContact CG2-CD2 3.98Å; V67-Y160 HydrophobicContact CG2-CE2 3.28Å
68V89.4Confident78Confident6 Ų673.7 Ų73.74%0.03641%0.411CS..EExtended strand (participates in β ladder)trans-119.7126.2175.3-168.90000109.4V60 Y61 M155 I156 F157V60-V68 HydrophobicContact CG2-CB 4Å; V60-V68 HydrophobicContact CG2-CG1 3.91Å; V60-V68 WeakPolarHBondContact CG2-O 3.29Å; V60-V68 PolarHBondContact N-O 2.87Å; Y61-V68 HydrophobicContact CD1-CG2 4.06Å; Y61-V68 HydrophobicContact CG-CG2 4.35Å; Y61-V68 PolarHBondContact N-O 3.43Å; Y61-V68 PolarHBondContact O-N 3.38Å; V68-M155 HydrophobicContact CG1-CB 4.42Å; V68-M155 HydrophobicContact CG1-CE 3.71Å; V68-I156 CarbonylContact C-O 3.54Å; V68-I156 WeakPolarHBondContact CA-O 3.39Å; V68-F157 HydrophobicContact CB-CD1 4.3Å; V68-F157 HydrophobicContact CB-CE1 4.34Å; V68-F157 HydrophobicContact CG1-CD1 4.03Å; V68-F157 HydrophobicContact CG1-CD2 4.47Å; V68-F157 HydrophobicContact CG1-CE1 3.82Å; V68-F157 HydrophobicContact CG1-CE2 4.28Å; V68-F157 HydrophobicContact CG1-CG 4.34Å; V68-F157 HydrophobicContact CG1-CZ 3.95Å; V68-F157 HydrophobicContact CG2-CD1 3.35Å; V68-F157 HydrophobicContact CG2-CE1 3.51Å; V68-F157 HydrophobicContact CG2-CG 4.19Å; V68-F157 HydrophobicContact CG2-CZ 4.45Å
69H89.7Confident76.4Confident37 Ų3772.6 Ų72.617%0.17141%0.406CS..EExtended strand (participates in β ladder)trans-110.1133.4172.8-60.287.9000109.9I58 V67 M155 I156I58-H69 CarbonylContact O-C 3.51Å; I58-H69 VanDerWaalsContact O-CA 3.3Å; I58-H69 WeakPolarHBondContact O-CA 3.24Å; V67-H69 WeakPolarHBondContact CG1-CE1 3.33Å; H69-M155 CarbonylContact O-C 3.56Å; H69-M155 WeakPolarHBondContact O-CA 3.38Å; H69-I156 HydrophobicContact CB-CB 4.38Å; H69-I156 PolarHBondContact N-O 2.88Å; H69-I156 PolarHBondContact O-N 2.66Å
70A89Confident74.7Confident24 Ų2475.4 Ų75.420%0.19842%0.42CS..EExtended strand (participates in β ladder)trans-96.8130.5170.400000109.5G57 I58 V60G57-A70 CarbonylContact C-O 3.48Å; G57-A70 VanDerWaalsContact CA-O 3.25Å; G57-A70 WeakPolarHBondContact CA-O 3.15Å; I58-A70 PolarHBondContact N-O 3.27Å; I58-A70 PolarHBondContact O-N 2.8Å; V60-A70 HydrophobicContact CG1-CB 3.73Å; V60-A70 HydrophobicContact CG2-CB 4.37Å
71V86.4Confident73.7Confident25 Ų2575.6 Ų75.615%0.15242%0.423CS..EExtended strand (participates in β ladder)trans-125.5126.8177.4-175.40000107.2G73 T154 I156V71-G73 PolarHBondContact O-N 2.84Å; V71-T154 PolarHBondContact N-O 2.79Å; V71-T154 PolarHBondContact O-N 2.83Å; V71-I156 HydrophobicContact CG2-CD1 3.87Å; V71-I156 HydrophobicContact CG2-CG1 4.37Å
72D79.4Confident73.1Confident102 Ų10275.8 Ų75.855%0.54543%0.43SS..EExtended strand (participates in β ladder)trans-69.4125173.3-60-47.8000108.6T74 A75D72-T74 PolarHBondContact O-N 3.2Å; D72-A75 PolarHBondContact O-N 2.77Å
73G64.4Low72.8Confident7 Ų772.7 Ų72.77%0.07242%0.42CS..G310 helixtrans-65.30.3-176.400000114.5V71 A75 E76 N77 P152V71-G73 PolarHBondContact O-N 2.84Å; G73-A75 PolarHBondContact O-N 2.83Å; G73-A75 VanDerWaalsContact O-N 3.16Å; G73-E76 PolarHBondContact O-N 3.05Å; G73-N77 PolarHBondContact O-N 3.1Å; G73-P152 WeakPolarHBondContact CA-O 3.4Å; G73-P152 PolarHBondContact N-O 2.81Å
74T57.8Low72.7Confident61 Ų6176 Ų7637%0.37445%0.446SS..G310 helixtrans-61.1-16170.252.20000113.4D72 P151D72-T74 PolarHBondContact O-N 3.2Å; T74-P151 HydrophobicContact CG2-CB 3.95Å; T74-P151 HydrophobicContact CG2-CG 4.27Å
75A53Low72.9Confident89 Ų8973 Ų7374%0.73644%0.44SS*.G310 helixtrans-77.5-26178.700000113.7D72 G73D72-A75 PolarHBondContact O-N 2.77Å; G73-A75 PolarHBondContact O-N 2.83Å; G73-A75 VanDerWaalsContact O-N 3.16Å
76E51.9Low73.3Confident172 Ų17273 Ų7380%0.80444%0.435SS*.THydrogen-bonded Turntrans-106.8-31.8-171.6-165.7171.29800113.2G73G73-E76 PolarHBondContact O-N 3.05Å
77N49.1Very low73.6Confident95 Ų9572.3 Ų72.351%0.50844%0.437SS..SBendtrans-94.5116.6169.5-67.689.2000107.6G73 I79G73-N77 PolarHBondContact O-N 3.1Å; N77-I79 PolarHBondContact O-N 2.92Å
78G48.2Very low73.8Confident89 Ų8976.2 Ų76.292%0.91846%0.458SS*.  trans-60.636.5-174.100000117.6H80G78-H80 PolarHBondContact O-N 3.45Å
79I52.5Low74Confident100 Ų10081.4 Ų81.451%0.51348%0.482SS..  trans-90.883.9169.6-47.7-176.1000105.8N77 I145N77-I79 PolarHBondContact O-N 2.92Å; I79-I145 HydrophobicContact CD1-CD1 3.26Å; I79-I145 HydrophobicContact CD1-CG1 4.28Å
80H54.6Low74.2Confident143 Ų14384.9 Ų84.966%0.66250%0.501SS*.PPolyproline II helixtrans-62.2127.6170.5-169.969.6000108.3G78 L82G78-H80 PolarHBondContact O-N 3.45Å; H80-L82 PolarHBondContact O-N 3.29Å
81P69.6Low74.4Confident87 Ų8788.2 Ų88.257%0.56551%0.514SS*.PPolyproline II helixtrans-56.8132.7169.723.6-31.3000108.5S83P81-S83 PolarHBondContact O-N 2.99Å
82L76.9Confident74.8Confident108 Ų10892 Ų9257%0.56553%0.53SS*.PPolyproline II helixtrans-54.2131.8-179.6-63.1174.8000109.9H80 E86 V87H80-L82 PolarHBondContact O-N 3.29Å; L82-E86 HydrophobicContact CB-CB 4.27Å; L82-E86 HydrophobicContact CD2-CB 4.27Å; L82-V87 HydrophobicContact CB-CG2 3.78Å; L82-V87 HydrophobicContact CD1-CG2 4.31Å
83S85.6Confident75.4Confident39 Ų3992.8 Ų92.827%0.27353%0.528SS..PPolyproline II helixtrans-62.8154.1170.365.70000110.1P81 S85 E86 V87P81-S83 PolarHBondContact O-N 2.99Å; S83-S85 PolarHBondContact O-N 3.32Å; S83-S85 VanDerWaalsContact O-N 3.1Å; S83-S85 PolarHBondContact OG-OG 2.59Å; S83-E86 VanDerWaalsContact CB-OE2 3.24Å; S83-E86 WeakPolarHBondContact CB-OE2 3.34Å; S83-E86 PolarHBondContact N-OE2 2.86Å; S83-E86 PolarHBondContact O-N 3.1Å; S83-E86 VanDerWaalsContact OG-CG 3.29Å; S83-E86 WeakPolarHBondContact OG-CG 3.43Å; S83-E86 PolarHBondContact OG-N 2.63Å; S83-E86 PolarHBondContact OG-OE2 2.93Å; S83-V87 PolarHBondContact O-N 3.1Å; S83-V87 VanDerWaalsContact O-N 3.1Å
84S86.4Confident76.7Confident110 Ų11094.9 Ų94.977%0.76955%0.546SS*.Hα-helixtrans-55.6-31.7178.155.10000112.7D88S84-D88 WeakPolarHBondContact O-CB 3.32Å; S84-D88 PolarHBondContact O-N 2.73Å; S84-D88 VanDerWaalsContact O-N 3.1Å
85S89Confident78.3Confident73 Ų7396.3 Ų96.351%0.5155%0.551SS.*Hα-helixtrans-67.8-42.4174.135.90000113.2S83 V87 D88 E89S83-S85 PolarHBondContact O-N 3.32Å; S83-S85 VanDerWaalsContact O-N 3.1Å; S83-S85 PolarHBondContact OG-OG 2.59Å; S85-V87 VanDerWaalsContact C-N 3.29Å; S85-V87 PolarHBondContact O-N 3.1Å; S85-D88 PolarHBondContact O-N 2.99Å; S85-E89 WeakPolarHBondContact O-CG 3.3Å; S85-E89 PolarHBondContact O-N 3.3Å
86E90.5Very high79.6Confident83 Ų8398.4 Ų98.439%0.38855%0.545SS..Hα-helixtrans-66.5-35.7178-73163.3119.800111.4L82 S83 L90L82-E86 HydrophobicContact CB-CB 4.27Å; L82-E86 HydrophobicContact CD2-CB 4.27Å; S83-E86 VanDerWaalsContact CB-OE2 3.24Å; S83-E86 WeakPolarHBondContact CB-OE2 3.34Å; S83-E86 PolarHBondContact N-OE2 2.86Å; S83-E86 PolarHBondContact O-N 3.1Å; S83-E86 VanDerWaalsContact OG-CG 3.29Å; S83-E86 WeakPolarHBondContact OG-CG 3.43Å; S83-E86 PolarHBondContact OG-N 2.63Å; S83-E86 PolarHBondContact OG-OE2 2.93Å; E86-L90 WeakPolarHBondContact O-CB 3.16Å; E86-L90 PolarHBondContact O-N 3.39Å
87V93.3Very high81.1Confident63 Ų6394.5 Ų94.538%0.38253%0.533SS..Hα-helixtrans-64.8-45.5174.1178.40000110.8L82 S83 S85 L90 I91L82-V87 HydrophobicContact CB-CG2 3.78Å; L82-V87 HydrophobicContact CD1-CG2 4.31Å; S83-V87 PolarHBondContact O-N 3.1Å; S83-V87 VanDerWaalsContact O-N 3.1Å; S85-V87 VanDerWaalsContact C-N 3.29Å; S85-V87 PolarHBondContact O-N 3.1Å; V87-L90 PolarHBondContact O-N 3.07Å; V87-I91 HydrophobicContact CG1-CD1 4.08Å; V87-I91 WeakPolarHBondContact O-CG1 3.27Å; V87-I91 PolarHBondContact O-N 2.85Å; V87-I91 VanDerWaalsContact O-N 3.07Å
88D93.8Very high82.4Confident88 Ų8893.9 Ų93.947%0.47153%0.533SS..Hα-helixtrans-62.2-43.5178.9-168.3-105.7000112.3S84 S85 L90 I91 H92S84-D88 WeakPolarHBondContact O-CB 3.32Å; S84-D88 PolarHBondContact O-N 2.73Å; S84-D88 VanDerWaalsContact O-N 3.1Å; S85-D88 PolarHBondContact O-N 2.99Å; D88-L90 VanDerWaalsContact C-N 3.27Å; D88-L90 PolarHBondContact O-N 2.85Å; D88-I91 PolarHBondContact O-N 3.32Å; D88-H92 PolarHBondContact O-CD2 2.9Å; D88-H92 PolarHBondContact O-N 2.67Å; D88-H92 IonicContact OD1-CD2 3.64Å; D88-H92 PolarHBondContact OD1-CD2 2.79Å; D88-H92 IonicContact OD1-NE2 2.68Å
89E93.6Very high83.3Confident115 Ų11596.3 Ų96.354%0.53752%0.524SS..Hα-helixtrans-60.5-36.3174.2-73.8-165.8133.600112.7S85 K93S85-E89 WeakPolarHBondContact O-CG 3.3Å; S85-E89 PolarHBondContact O-N 3.3Å; E89-K93 WeakPolarHBondContact O-CG 3.49Å; E89-K93 PolarHBondContact O-N 2.71Å
90L93.2Very high83.8Confident109 Ų10995 Ų9557%0.57152%0.524SS*.Hα-helixtrans-71.6-37.2179.9-155.270.6000111.8E86 V87 D88 K93 A94E86-L90 WeakPolarHBondContact O-CB 3.16Å; E86-L90 PolarHBondContact O-N 3.39Å; V87-L90 PolarHBondContact O-N 3.07Å; D88-L90 VanDerWaalsContact C-N 3.27Å; D88-L90 PolarHBondContact O-N 2.85Å; L90-K93 PolarHBondContact O-N 2.97Å; L90-A94 PolarHBondContact O-N 2.87Å
91I94Very high83.9Confident94 Ų9495.6 Ų95.648%0.48253%0.527SS..Hα-helixtrans-63-48.2173.8-66.3166.1000109.8V87 D88 K93 A94 D95V87-I91 HydrophobicContact CG1-CD1 4.08Å; V87-I91 WeakPolarHBondContact O-CG1 3.27Å; V87-I91 PolarHBondContact O-N 2.85Å; V87-I91 VanDerWaalsContact O-N 3.07Å; D88-I91 PolarHBondContact O-N 3.32Å; I91-K93 PolarHBondContact O-N 2.79Å; I91-A94 WeakPolarHBondContact O-CB 3.47Å; I91-A94 PolarHBondContact O-N 2.92Å; I91-A94 VanDerWaalsContact O-N 3.13Å; I91-D95 PolarHBondContact O-N 2.84Å
92H94.3Very high83Confident105 Ų10595.5 Ų95.549%0.48653%0.533SS..Hα-helixtrans-59.2-44177.3-83-56.4000113D88 A94 D95 E96D88-H92 PolarHBondContact O-CD2 2.9Å; D88-H92 PolarHBondContact O-N 2.67Å; D88-H92 IonicContact OD1-CD2 3.64Å; D88-H92 PolarHBondContact OD1-CD2 2.79Å; D88-H92 IonicContact OD1-NE2 2.68Å; H92-A94 VanDerWaalsContact C-N 3.3Å; H92-A94 PolarHBondContact O-N 2.8Å; H92-D95 PolarHBondContact O-N 2.91Å; H92-E96 PolarHBondContact O-N 3.49Å; H92-E96 VanDerWaalsContact O-N 3.07Å
93K92Very high81.8Confident118 Ų11892.8 Ų92.851%0.51353%0.531SS..Hα-helixtrans-62.6-35.9175.9-76.2171.3-179.5168.40112.7E89 L90 I91 E96 V97E89-K93 WeakPolarHBondContact O-CG 3.49Å; E89-K93 PolarHBondContact O-N 2.71Å; L90-K93 PolarHBondContact O-N 2.97Å; I91-K93 PolarHBondContact O-N 2.79Å; K93-E96 PolarHBondContact O-N 2.88Å; K93-V97 WeakPolarHBondContact O-CG2 3.24Å; K93-V97 PolarHBondContact O-N 3.34Å; K93-V97 VanDerWaalsContact O-N 3.1Å
94A92Very high79.9Confident52 Ų5295.8 Ų95.843%0.4355%0.552SS.*Hα-helixtrans-68-38.9176.600000112L90 I91 H92 V97 T98L90-A94 PolarHBondContact O-N 2.87Å; I91-A94 WeakPolarHBondContact O-CB 3.47Å; I91-A94 PolarHBondContact O-N 2.92Å; I91-A94 VanDerWaalsContact O-N 3.13Å; H92-A94 VanDerWaalsContact C-N 3.3Å; H92-A94 PolarHBondContact O-N 2.8Å; A94-V97 PolarHBondContact O-N 2.84Å; A94-T98 WeakPolarHBondContact O-CG2 3.44Å; A94-T98 PolarHBondContact O-N 3.37Å; A94-T98 PolarHBondContact O-OG1 2.83Å; A94-T98 VanDerWaalsContact O-OG1 3.07Å
95D90Very high77.8Confident90 Ų9097.1 Ų97.148%0.48156%0.556SS.*Hα-helixtrans-64-39.8174.6-75.3-31.5000111.9I91 H92 T98 L99I91-D95 PolarHBondContact O-N 2.84Å; H92-D95 PolarHBondContact O-N 2.91Å; D95-T98 WeakPolarHBondContact CA-OG1 3.29Å; D95-T98 PolarHBondContact O-N 3.31Å; D95-T98 PolarHBondContact O-OG1 2.76Å; D95-L99 PolarHBondContact O-N 3.16Å
96E81.5Confident75.7Confident134 Ų13498.1 Ų98.163%0.62657%0.569SS**Hα-helixtrans-66.1-39.4176-69.6-175.1102.700112.6H92 K93 S100H92-E96 PolarHBondContact O-N 3.49Å; H92-E96 VanDerWaalsContact O-N 3.07Å; K93-E96 PolarHBondContact O-N 2.88Å; E96-S100 VanDerWaalsContact O-CB 3.31Å; E96-S100 WeakPolarHBondContact O-CB 3.24Å; E96-S100 PolarHBondContact O-N 2.89Å; E96-S100 PolarHBondContact O-OG 2.96Å
97V82.3Confident73.1Confident89 Ų8998 Ų9854%0.53959%0.59SS.*Hα-helixtrans-65.6-43175.8170.50000111.2K93 A94 S100 E101K93-V97 WeakPolarHBondContact O-CG2 3.24Å; K93-V97 PolarHBondContact O-N 3.34Å; K93-V97 VanDerWaalsContact O-N 3.1Å; A94-V97 PolarHBondContact O-N 2.84Å; V97-S100 WeakPolarHBondContact CA-OG 3.21Å; V97-S100 PolarHBondContact O-N 3.4Å; V97-S100 PolarHBondContact O-OG 3.26Å; V97-E101 PolarHBondContact O-N 2.6Å
98T77.4Confident70.3Confident82 Ų82100 Ų10050%0.50361%0.613SS.*Hα-helixtrans-68.6-35.7179.952.90000112.8A94 D95 A102A94-T98 WeakPolarHBondContact O-CG2 3.44Å; A94-T98 PolarHBondContact O-N 3.37Å; A94-T98 PolarHBondContact O-OG1 2.83Å; A94-T98 VanDerWaalsContact O-OG1 3.07Å; D95-T98 WeakPolarHBondContact CA-OG1 3.29Å; D95-T98 PolarHBondContact O-N 3.31Å; D95-T98 PolarHBondContact O-OG1 2.76Å; T98-A102 WeakPolarHBondContact O-CB 3.39Å; T98-A102 PolarHBondContact O-N 2.8Å
99L67.3Low67.5Low141 Ų141100.6 Ų100.674%0.73863%0.63SS**Hα-helixtrans-71.2-34.8173.4-115.492.1000113D95 G103D95-L99 PolarHBondContact O-N 3.16Å; L99-G103 PolarHBondContact O-N 3.35Å
100S61.5Low64.9Low72 Ų72104.1 Ų104.150%0.50365%0.647SS.*Hα-helixtrans-76.7-30.1-178.951.90000113.2E96 V97 G103E96-S100 VanDerWaalsContact O-CB 3.31Å; E96-S100 WeakPolarHBondContact O-CB 3.24Å; E96-S100 PolarHBondContact O-N 2.89Å; E96-S100 PolarHBondContact O-OG 2.96Å; V97-S100 WeakPolarHBondContact CA-OG 3.21Å; V97-S100 PolarHBondContact O-N 3.4Å; V97-S100 PolarHBondContact O-OG 3.26Å; S100-G103 PolarHBondContact O-N 3.01Å
101E57Low62Low156 Ų156104.8 Ų104.873%0.72966%0.655SS**Hα-helixtrans-73.8-38.4172.9-156.2-160.9126.800112V97 G103 S104V97-E101 PolarHBondContact O-N 2.6Å; E101-G103 PolarHBondContact O-N 3.05Å; E101-S104 PolarHBondContact O-N 2.99Å
102A52.3Low59.5Low85 Ų85111.6 Ų111.670%0.70268%0.675SS**Hα-helixtrans-68.9-15.9174.900000113.6T98T98-A102 WeakPolarHBondContact O-CB 3.39Å; T98-A102 PolarHBondContact O-N 2.8Å
103G51.3Low56.5Low50 Ų50110.3 Ų110.352%0.51569%0.689SS.*THydrogen-bonded Turntrans-90.3-12.8178.700000115.6L99 S100 E101L99-G103 PolarHBondContact O-N 3.35Å; S100-G103 PolarHBondContact O-N 3.01Å; E101-G103 PolarHBondContact O-N 3.05Å
104S45.8Very low53.8Low102 Ų102109.5 Ų109.571%0.71371%0.705SS**THydrogen-bonded Turntrans-10743.2-174.5-66.30000113.8E101E101-S104 PolarHBondContact O-N 2.99Å
105T42.7Very low51.3Low138 Ų138113.8 Ų113.885%0.84773%0.725SS**THydrogen-bonded Turntrans-134.438.5154.259.60000111.4
106A44.3Very low48.7Very low95 Ų95118.7 Ų118.779%0.78575%0.745SS**  trans-130.998.9168.900000109.9
107G35.3Very low46.5Very low81 Ų81116 Ų11684%0.83575%0.754SS**  trans137.677.6155.800000116.5
108A34.1Very low44.2Very low105 Ų105116.4 Ų116.487%0.86877%0.766SS**  trans-136.692.6143.500000108.9
109A34.7Very low42.9Very low100 Ų100117 Ų11783%0.82678%0.779SS**  trans174.9108.7139.700000110
110E40Very low41.6Very low189 Ų189121.3 Ų121.388%0.88379%0.786SS**  trans-109.8119.7146.7-97.4-146.685.100108.6
111T32.2Very low40.8Very low122 Ų122124.7 Ų124.775%0.74880%0.804SS**  -173.7111.6126.2-77.20000110
112R42.3Very low39.7Very low238 Ų238123.6 Ų123.690%0.89881%0.808SS**  trans58118.9148.5-76.1177.7163.9160-3.6121
113G31Very low39.2Very low77 Ų77125.2 Ų125.279%0.79481%0.811SS**  109.7119.1120.700000116.8
114A34.1Very low38.6Very low101 Ų101127.5 Ų127.584%0.83582%0.819SS**  trans86.5101.7157.900000119.4
115V39.6Very low38.7Very low142 Ų142134.1 Ų134.186%0.86183%0.829SS**  trans54111.2138-176.90000118.9
116E35.3Very low39.4Very low193 Ų193138 Ų13890%0.90283%0.828SS**  trans10.1111.1162.8-75.6-18082.100120.4
117G35.2Very low39.6Very low78 Ų78141 Ų14180%0.80483%0.825SS**  trans-94.3-168.6160.600000112.6
118A35.6Very low40.4Very low97 Ų97144.8 Ų144.880%0.80283%0.825SS**  cis-156.3130.218.200000111.2
119A49.6Very low41.1Very low94 Ų94145.8 Ų145.878%0.77782%0.82SS**  trans-83.8127.1152.400000108.2
120R40.1Very low41.7Very low233 Ų233144.5 Ų144.588%0.87982%0.817SS**  trans-146.396.7154.7-72.1-161.2179.2177.31111.6
121T43.8Very low41.9Very low143 Ų143142.1 Ų142.188%0.87782%0.815SS**  trans-32.6124.6144.94.70000112.2
122T34.3Very low42.7Very low132 Ų132143.8 Ų143.881%0.8182%0.815SS**  trans-90.513816546.50000110.2
123P40.9Very low42.6Very low119 Ų119136.7 Ų136.777%0.77381%0.806SS**  trans-84.4156.4-174.434.2-33.6000112.7
124S39.1Very low43.2Very low99 Ų99140.2 Ų140.269%0.69280%0.802SS**  trans-19.8127.1175.349.70000118.9R126S124-R126 PolarHBondContact O-N 3.46Å
125R48.7Very low44Very low240 Ų240142.1 Ų142.191%0.90681%0.806SS**  trans-50.6100.5155.3-176.1179.3-155.6-110.42.6109.4E127R125-E127 PolarHBondContact O-N 3.03Å
126R56.4Low44.3Very low219 Ų219138 Ų13883%0.82679%0.792SS**  trans-74.7108.6168.7-72.4-179.5175.6169.3-1.8108.1S124 I128S124-R126 PolarHBondContact O-N 3.46Å; R126-I128 PolarHBondContact O-N 2.98Å
127E48.5Very low44.9Very low158 Ų158138.4 Ų138.474%0.73879%0.794SS**  trans-63109161.8-162.6175.2163.400107.5R125 T129R125-E127 PolarHBondContact O-N 3.03Å; E127-T129 PolarHBondContact O-N 3.28Å
128I52.6Low45.4Very low161 Ų161139.1 Ų139.183%0.82679%0.793SS**  trans-90.979.5174.219168.8000108.2R126 G130R126-I128 PolarHBondContact O-N 2.98Å; I128-G130 PolarHBondContact O-N 3.09Å
129T49.8Very low45.7Very low126 Ų126140.1 Ų140.177%0.77379%0.789SS**  trans-64.3116.1153.932.50000108.4E127E127-T129 PolarHBondContact O-N 3.28Å
130G46.3Very low45.6Very low73 Ų73141.8 Ų141.875%0.75380%0.795SS**  trans132.626.3160.200000120.1I128I128-G130 PolarHBondContact O-N 3.09Å
131V45.3Very low45.6Very low139 Ų139132.7 Ų132.784%0.84277%0.773SS**  trans-118.986.9161.5-174.60000109.1A133V131-A133 PolarHBondContact O-N 2.91Å
132Q47.9Very low45.8Very low158 Ų158131.3 Ų131.374%0.73877%0.767SS**  trans-66.4108.4158.5-176.8-175.771.100106.2Q134Q132-Q134 PolarHBondContact O-N 3.24Å
133A40.7Very low46.5Very low88 Ų88131.9 Ų131.973%0.72777%0.773SS**  trans-67.310116500000106.9V131 P135V131-A133 PolarHBondContact O-N 2.91Å; A133-P135 WeakPolarHBondContact O-CD 3.45Å
134Q43.2Very low46.8Very low151 Ų151128.8 Ų128.871%0.70676%0.763SS**  trans-68.2123.9163.2-68.8-159.610.200107.5Q132 G136Q132-Q134 PolarHBondContact O-N 3.24Å; Q134-G136 VanDerWaalsContact C-N 3.3Å; Q134-G136 PolarHBondContact O-N 3.05Å
135P50.2Low47.4Very low141 Ų141128.6 Ų128.692%0.91675%0.753SS**  trans-79.487.5168.631.2-27000107A133A133-P135 WeakPolarHBondContact O-CD 3.45Å
136G46.5Very low47.6Very low55 Ų55122.6 Ų122.657%0.56774%0.735SS**  trans-151.8112.4-178.200000110.8Q134Q134-G136 VanDerWaalsContact C-N 3.3Å; Q134-G136 PolarHBondContact O-N 3.05Å
137E48.9Very low47.3Very low202 Ų202118.2 Ų118.294%0.94474%0.735SS**  trans55.188.8156.6-78.8169.672.600117.7
138A44Very low47.7Very low94 Ų94112.1 Ų112.178%0.77772%0.715SS**  trans-162.4107.6132.700000109.7
139T42.1Very low48.1Very low117 Ų117107.6 Ų107.672%0.71869%0.69SS**  trans-17181.9131.9-82.80000107.7G141T139-G141 PolarHBondContact O-N 3.33Å
140S48.4Very low49.1Very low130 Ų130105.2 Ų105.291%0.90967%0.67SS**  trans-71.577.6142.255.90000107.3
141G40Very low50.7Low41 Ų41104.8 Ų104.842%0.42365%0.654SS.*  trans-94.7160.2164.200000109.3T139T139-G141 PolarHBondContact O-N 3.33Å
142P47.6Very low52.7Low114 Ų11499.4 Ų99.474%0.7462%0.622SS**  trans-54157.6164.726.2-30.2000108.7G144P142-G144 PolarHBondContact O-N 2.91Å
143P49Very low54.7Low145 Ų14593.9 Ų93.994%0.94260%0.599SS**SBendtrans-68.471.1-179.830.1-34.4000109.7
144G47.2Very low57Low54 Ų5490.7 Ų90.756%0.55757%0.571SS**  trans-102.8118.5173.600000105.7P142 Q146P142-G144 PolarHBondContact O-N 2.91Å; G144-Q146 PolarHBondContact O-N 3.2Å; G144-Q146 VanDerWaalsContact O-N 3.1Å
145I52Low59.3Low94 Ų9486.4 Ų86.448%0.48255%0.551SS.*  trans-15.1107.5168.7-57.9-178.9000110.9I79 Q149I79-I145 HydrophobicContact CD1-CD1 3.26Å; I79-I145 HydrophobicContact CD1-CG1 4.28Å; I145-Q149 HydrophobicContact CG2-CB 4.13Å
146Q52.8Low61.2Low114 Ų11480 Ų8053%0.53351%0.509SS..  trans-58.1136.4172.8-71.4-86.129.100107.7G144 G148 Q149G144-Q146 PolarHBondContact O-N 3.2Å; G144-Q146 VanDerWaalsContact O-N 3.1Å; Q146-G148 PolarHBondContact O-N 2.82Å; Q146-Q149 HydrophobicContact CB-CG 4.35Å; Q146-Q149 PolarHBondContact O-N 3.5Å
147P49.2Very low63.3Low128 Ų12880.4 Ų80.483%0.83150%0.495SS*.THydrogen-bonded Turntrans-57.6102174.321.4-30.2000109
148G57.9Low65.3Low30 Ų3071.3 Ų71.331%0.30945%0.453SS..THydrogen-bonded Turntrans135.9-17.6-171.400000115.2K35 Q146K35-G148 VanDerWaalsContact CB-O 3.24Å; K35-G148 WeakPolarHBondContact CB-O 3.48Å; K35-G148 WeakPolarHBondContact CD-O 3.31Å; K35-G148 WeakPolarHBondContact CG-O 3.34Å; K35-G148 PolarHBondContact N-O 3.41Å; Q146-G148 PolarHBondContact O-N 2.82Å
149Q61.7Low67.4Low66 Ų6667 Ų6731%0.30842%0.418SS..BIsolated β-bridgetrans-87.2123.1174.7-67.8-177.6-69.500110.3E32 I145 Q146E32-Q149 PolarHBondContact OE1-NE2 2.65Å; E32-Q149 PolarHBondContact OE2-NE2 3.48Å; I145-Q149 HydrophobicContact CG2-CB 4.13Å; Q146-Q149 HydrophobicContact CB-CG 4.35Å; Q146-Q149 PolarHBondContact O-N 3.5Å
150E70.8Confident69.5Low75 Ų7564 Ų6435%0.3539%0.394SS..PPolyproline II helixtrans-70.7147.9170-158.8150.888.600109.5K35K35-E150 VanDerWaalsContact CE-CB 3.4Å; K35-E150 WeakPolarHBondContact CE-OE2 3.37Å; K35-E150 IonicContact NZ-OE2 3.43Å; K35-E150 PolarHBondContact NZ-OE2 3.35Å
151P79.7Confident71.3Confident64 Ų6462.6 Ų62.642%0.41637%0.373SS..PPolyproline II helixtrans-48.8134.3164.419.8-34.5000110.3T74T74-P151 HydrophobicContact CG2-CB 3.95Å; T74-P151 HydrophobicContact CG2-CG 4.27Å
152P87Confident73.5Confident26 Ų2664.6 Ų64.617%0.16937%0.374CS..PPolyproline II helixtrans-63.6151.8-179.226.4-34.1000111T30 V31 L43 G73T30-P152 HydrophobicContact CG2-CB 3.71Å; T30-P152 HydrophobicContact CG2-CG 4.29Å; V31-P152 CarbonylContact O-C 3.56Å; V31-P152 WeakPolarHBondContact O-CA 3.41Å; V31-P152 VanDerWaalsContact O-CB 3.3Å; V31-P152 WeakPolarHBondContact O-CB 3.34Å; L43-P152 HydrophobicContact CD1-CB 3.75Å; L43-P152 HydrophobicContact CD1-CG 4.17Å; G73-P152 WeakPolarHBondContact CA-O 3.4Å; G73-P152 PolarHBondContact N-O 2.81Å
153V89Confident75.2Confident42 Ų4259.2 Ų59.226%0.25534%0.339SS..EExtended strand (participates in β ladder)trans-108.7131.7178.6177.40000108.8T30 V31T30-V153 WeakPolarHBondContact CA-O 3.29Å; V31-V153 HydrophobicContact CG2-CB 4.31Å; V31-V153 PolarHBondContact N-O 2.86Å; V31-V153 PolarHBondContact O-N 2.77Å
154T90.3Very high76.8Confident22 Ų2258.9 Ų58.914%0.13533%0.325CS..EExtended strand (participates in β ladder)trans-102124176.3-57.30000110.3E28 I29 T30 V71 I156E28-T154 HydrophobicContact CB-CG2 4.46Å; I29-T154 CarbonylContact O-C 3.43Å; I29-T154 WeakPolarHBondContact O-CA 3.26Å; T30-T154 PolarHBondContact OG1-OG1 3.08Å; V71-T154 PolarHBondContact N-O 2.79Å; V71-T154 PolarHBondContact O-N 2.83Å; T154-I156 HydrophobicContact CG2-CG1 4.36Å
155M91.1Very high78.5Confident61 Ų6159.8 Ų59.830%0.332%0.317SS..EExtended strand (participates in β ladder)trans-106.1122.6175.6-62.6-175.971.800109.9I29 V68 H69 F157I29-M155 PolarHBondContact N-O 2.78Å; I29-M155 PolarHBondContact O-N 2.77Å; V68-M155 HydrophobicContact CG1-CB 4.42Å; V68-M155 HydrophobicContact CG1-CE 3.71Å; H69-M155 CarbonylContact O-C 3.56Å; H69-M155 WeakPolarHBondContact O-CA 3.38Å; M155-F157 HydrophobicContact CB-CD2 4.35Å; M155-F157 HydrophobicContact CB-CE2 3.63Å; M155-F157 HydrophobicContact CB-CZ 4.25Å; M155-F157 HydrophobicContact CE-CE2 4.42Å; M155-F157 HydrophobicContact CE-CZ 3.89Å; M155-F157 HydrophobicContact SD-CZ 4.49Å
156I90Very high79.8Confident6 Ų661.2 Ų61.23%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-106.3107.6-179.5-49.8-179.1000108.9V27 E28 L54 P55 V68 H69 V71 T154 M158V27-I156 CarbonylContact O-C 3.5Å; V27-I156 WeakPolarHBondContact O-CA 3.36Å; E28-I156 HydrophobicContact CG-CG1 4.18Å; E28-I156 HydrophobicContact CG-CG2 4.28Å; L54-I156 HydrophobicContact CD2-CG2 4.14Å; P55-I156 HydrophobicContact CG-CD1 4.29Å; V68-I156 CarbonylContact C-O 3.54Å; V68-I156 WeakPolarHBondContact CA-O 3.39Å; H69-I156 HydrophobicContact CB-CB 4.38Å; H69-I156 PolarHBondContact N-O 2.88Å; H69-I156 PolarHBondContact O-N 2.66Å; V71-I156 HydrophobicContact CG2-CD1 3.87Å; V71-I156 HydrophobicContact CG2-CG1 4.37Å; T154-I156 HydrophobicContact CG2-CG1 4.36Å; I156-M158 HydrophobicContact CG2-CG 4.37Å
157F91.3Very high81Confident63 Ų6358.4 Ų58.428%0.27632%0.318SS..EExtended strand (participates in β ladder)trans-93.5119.2176.5-62.2-101.3000109.6S26 V27 I29 V67 V68 M155S26-F157 CarbonylContact C-O 3.59Å; S26-F157 WeakPolarHBondContact CA-O 3.46Å; V27-F157 HydrophobicContact CB-CB 4.27Å; V27-F157 PolarHBondContact N-O 3.01Å; V27-F157 PolarHBondContact O-N 2.88Å; I29-F157 HydrophobicContact CB-CE2 4.42Å; I29-F157 HydrophobicContact CD1-CD2 3.96Å; I29-F157 HydrophobicContact CD1-CE2 3.64Å; I29-F157 HydrophobicContact CD1-CZ 4.49Å; I29-F157 HydrophobicContact CG1-CD2 4.19Å; I29-F157 HydrophobicContact CG1-CE2 4.09Å; V67-F157 CarbonylContact O-C 3.51Å; V67-F157 WeakPolarHBondContact O-CA 3.39Å; V68-F157 HydrophobicContact CB-CD1 4.3Å; V68-F157 HydrophobicContact CB-CE1 4.34Å; V68-F157 HydrophobicContact CG1-CD1 4.03Å; V68-F157 HydrophobicContact CG1-CD2 4.47Å; V68-F157 HydrophobicContact CG1-CE1 3.82Å; V68-F157 HydrophobicContact CG1-CE2 4.28Å; V68-F157 HydrophobicContact CG1-CG 4.34Å; V68-F157 HydrophobicContact CG1-CZ 3.95Å; V68-F157 HydrophobicContact CG2-CD1 3.35Å; V68-F157 HydrophobicContact CG2-CE1 3.51Å; V68-F157 HydrophobicContact CG2-CG 4.19Å; V68-F157 HydrophobicContact CG2-CZ 4.45Å; M155-F157 HydrophobicContact CB-CD2 4.35Å; M155-F157 HydrophobicContact CB-CE2 3.63Å; M155-F157 HydrophobicContact CB-CZ 4.25Å; M155-F157 HydrophobicContact CE-CE2 4.42Å; M155-F157 HydrophobicContact CE-CZ 3.89Å; M155-F157 HydrophobicContact SD-CZ 4.49Å
158M90Very high82.4Confident12 Ų1255.3 Ų55.36%0.05929%0.292CS..EExtended strand (participates in β ladder)trans-109.5122.1177-63.5179.965.100109.7A23 L54 K66 V67 I156 Y160A23-M158 HydrophobicContact CB-CE 3.54Å; L54-M158 HydrophobicContact CB-SD 4.36Å; L54-M158 HydrophobicContact CD1-CE 3.48Å; L54-M158 VanDerWaalsContact CD1-CE 3.48Å; L54-M158 HydrophobicContact CD1-SD 4.21Å; L54-M158 HydrophobicContact CD2-CE 4.01Å; L54-M158 HydrophobicContact CD2-CG 4.03Å; L54-M158 HydrophobicContact CD2-SD 3.77Å; L54-M158 HydrophobicContact CG-CE 4.22Å; L54-M158 HydrophobicContact CG-SD 4.32Å; K66-M158 CarbonylContact C-O 3.55Å; K66-M158 WeakPolarHBondContact CA-O 3.25Å; V67-M158 PolarHBondContact N-O 3.34Å; V67-M158 PolarHBondContact O-N 3.1Å; I156-M158 HydrophobicContact CG2-CG 4.37Å; M158-Y160 HydrophobicContact CB-CD2 4.44Å; M158-Y160 HydrophobicContact CB-CE2 3.64Å; M158-Y160 HydrophobicContact CE-CE1 4.32Å; M158-Y160 VanDerWaalsContact CE-OH 3.24Å; M158-Y160 WeakPolarHBondContact CE-OH 3Å; M158-Y160 WeakPolarHBondContact O-CD2 3.35Å; M158-Y160 PolarHBondContact SD-OH 2.88Å
159G87.7Confident83.3Confident4 Ų455 Ų554%0.04128%0.284CS..EExtended strand (participates in β ladder)trans-90.5129.1173.100000111A23 M24 Y25 T65A23-G159 CarbonylContact C-O 3.53Å; A23-G159 VanDerWaalsContact CA-O 3.29Å; A23-G159 WeakPolarHBondContact CA-O 3.46Å; M24-G159 PolarHBondContact N-O 2.78Å; Y25-G159 PolarHBondContact O-N 3Å; Y25-G159 VanDerWaalsContact O-N 3.08Å; T65-G159 CarbonylContact O-C 3.58Å; T65-G159 WeakPolarHBondContact O-CA 3.47Å
160Y87.7Confident84Confident53 Ų5357 Ų5721%0.20829%0.292CS..EExtended strand (participates in β ladder)trans-111.2146.3-177.7-66.9-92000112.8K21 A22 A23 T65 V67 M158K21-Y160 HydrophobicContact CB-CD1 3.73Å; K21-Y160 HydrophobicContact CB-CE1 4.47Å; K21-Y160 HydrophobicContact CB-CG 4.28Å; K21-Y160 HydrophobicContact CD-CG 4.48Å; A22-Y160 CarbonylContact O-C 3.6Å; A22-Y160 VanDerWaalsContact O-CA 3.24Å; A22-Y160 WeakPolarHBondContact O-CA 3.35Å; A23-Y160 HydrophobicContact CB-CD1 4.17Å; A23-Y160 HydrophobicContact CB-CE1 3.98Å; T65-Y160 PolarHBondContact O-N 2.93Å; V67-Y160 HydrophobicContact CB-CE2 3.63Å; V67-Y160 HydrophobicContact CG2-CD2 3.98Å; V67-Y160 HydrophobicContact CG2-CE2 3.28Å; M158-Y160 HydrophobicContact CB-CD2 4.44Å; M158-Y160 HydrophobicContact CB-CE2 3.64Å; M158-Y160 HydrophobicContact CE-CE1 4.32Å; M158-Y160 VanDerWaalsContact CE-OH 3.24Å; M158-Y160 WeakPolarHBondContact CE-OH 3Å; M158-Y160 WeakPolarHBondContact O-CD2 3.35Å; M158-Y160 PolarHBondContact SD-OH 2.88Å
161Q85.6Confident84.3Confident100 Ų10060.5 Ų60.547%0.46731%0.306SS..EExtended strand (participates in β ladder)trans-123.9141.9169.1-177.2155.470.700109.9A22 M24A22-Q161 PolarHBondContact N-O 2.77Å; A22-Q161 PolarHBondContact O-N 2.84Å; M24-Q161 HydrophobicContact CG-CB 3.79Å; M24-Q161 HydrophobicContact SD-CB 4.31Å
162N85.8Confident83.9Confident83 Ų8360 Ų6044%0.44430%0.302SS..EExtended strand (participates in β ladder)trans-73.9130.7171.9-66.687.9000109.7M19 M20M19-N162 HydrophobicContact CB-CB 4.32Å; M19-N162 HydrophobicContact SD-CB 4.12Å; M20-N162 WeakPolarHBondContact O-CA 3.33Å
163V83.3Confident83.2Confident2 Ų260.4 Ų60.41%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-134.9147.8179.2-65.70000109M19 M20 A22 T169M19-V163 CarbonylContact C-O 3.45Å; M19-V163 VanDerWaalsContact CA-O 3.29Å; M19-V163 WeakPolarHBondContact CA-O 3.41Å; M20-V163 HydrophobicContact CB-CG2 4.04Å; M20-V163 PolarHBondContact N-O 3.49Å; M20-V163 WeakPolarHBondContact O-CG2 3.36Å; M20-V163 PolarHBondContact O-N 3.21Å; A22-V163 HydrophobicContact CB-CG1 4.1Å; A22-V163 HydrophobicContact CB-CG2 3.86Å; V163-T169 WeakPolarHBondContact CG2-OG1 3.5Å
164E83.4Confident82.2Confident137 Ų13760.2 Ų60.264%0.6431%0.309SS*.SBendtrans-72.3-35.9-177.3-63.1-176.9114.400111M19 E168M19-E164 HydrophobicContact CE-CG 4.47Å; E164-E168 WeakPolarHBondContact CB-OE2 3.14Å; E164-E168 PolarHBondContact N-OE2 3.46Å
165D82.2Confident81Confident73 Ų7364.3 Ų64.339%0.3933%0.33SS..SBendtrans-152.5169.7-179.569.1-106.7000114.9A167 E168 T169D165-A167 VanDerWaalsContact C-N 3.29Å; D165-A167 PolarHBondContact O-N 2.89Å; D165-A167 WeakPolarHBondContact OD2-CA 3.38Å; D165-A167 WeakPolarHBondContact OD2-CB 3.24Å; D165-A167 PolarHBondContact OD2-N 3.38Å; D165-E168 PolarHBondContact O-N 3.28Å; D165-E168 PolarHBondContact OD2-N 3.17Å; D165-T169 PolarHBondContact O-N 3.27Å; D165-T169 PolarHBondContact O-OG1 3.06Å
166E78.7Confident79.6Confident125 Ų12567.2 Ų67.258%0.58434%0.342SS*.Hα-helixtrans-66.6-25.8179.8-65.1-170.8142.700113.5M20 T169 K170M20-E166 HydrophobicContact CE-CG 4.24Å; M20-E166 HydrophobicContact SD-CG 3.69Å; E166-T169 WeakPolarHBondContact O-CB 3.44Å; E166-K170 WeakPolarHBondContact O-CG 3.46Å; E166-K170 PolarHBondContact O-N 2.74Å; E166-K170 VanDerWaalsContact O-N 3.09Å
167A78.9Confident78Confident54 Ų5472.4 Ų72.445%0.44637%0.37SS..Hα-helixtrans-75.8-38.7176.500000110.9D165 T169 K170 K171D165-A167 VanDerWaalsContact C-N 3.29Å; D165-A167 PolarHBondContact O-N 2.89Å; D165-A167 WeakPolarHBondContact OD2-CA 3.38Å; D165-A167 WeakPolarHBondContact OD2-CB 3.24Å; D165-A167 PolarHBondContact OD2-N 3.38Å; A167-T169 VanDerWaalsContact C-N 3.31Å; A167-K170 PolarHBondContact O-N 3.4Å; A167-K171 WeakPolarHBondContact O-CB 3.14Å; A167-K171 PolarHBondContact O-N 3.02Å
168E78.3Confident76.1Confident63 Ų6374.8 Ų74.829%0.29439%0.39SS..Hα-helixtrans-59.4-44.3169.1-166.1-168.2178.400110.5E164 D165 K170 K171 V172E164-E168 WeakPolarHBondContact CB-OE2 3.14Å; E164-E168 PolarHBondContact N-OE2 3.46Å; D165-E168 PolarHBondContact O-N 3.28Å; D165-E168 PolarHBondContact OD2-N 3.17Å; E168-K170 PolarHBondContact O-N 3.37Å; E168-K171 WeakPolarHBondContact O-CB 3.35Å; E168-K171 PolarHBondContact O-N 2.82Å; E168-K171 VanDerWaalsContact O-N 3.17Å; E168-V172 HydrophobicContact CG-CG2 4.22Å; E168-V172 WeakPolarHBondContact O-CB 3.22Å; E168-V172 VanDerWaalsContact O-CG2 3.24Å; E168-V172 WeakPolarHBondContact O-CG2 3.36Å; E168-V172 PolarHBondContact O-N 2.9Å
169T76.8Confident74.7Confident24 Ų2481.6 Ų81.615%0.14743%0.425CS..Hα-helixtrans-53.7-50.4173.7-52.90000112A22 V163 D165 E166 A167 K171 V172 L173A22-T169 HydrophobicContact CB-CG2 3.37Å; V163-T169 WeakPolarHBondContact CG2-OG1 3.5Å; D165-T169 PolarHBondContact O-N 3.27Å; D165-T169 PolarHBondContact O-OG1 3.06Å; E166-T169 WeakPolarHBondContact O-CB 3.44Å; A167-T169 VanDerWaalsContact C-N 3.31Å; T169-K171 VanDerWaalsContact C-N 3.29Å; T169-K171 PolarHBondContact O-N 3.4Å; T169-V172 PolarHBondContact O-N 3.39Å; T169-L173 HydrophobicContact CG2-CD1 3.83Å; T169-L173 HydrophobicContact CG2-CG 4.34Å; T169-L173 WeakPolarHBondContact O-CB 3.3Å; T169-L173 VanDerWaalsContact O-CG 3.3Å; T169-L173 WeakPolarHBondContact O-CG 3.47Å; T169-L173 PolarHBondContact O-N 2.74Å
170K77Confident73.2Confident107 Ų10787.4 Ų87.447%0.46546%0.46SS..Hα-helixtrans-64.8-34.7-179-73.2170.5-173.6171.30112.4E166 A167 E168 G174 L175 Q176E166-K170 WeakPolarHBondContact O-CG 3.46Å; E166-K170 PolarHBondContact O-N 2.74Å; E166-K170 VanDerWaalsContact O-N 3.09Å; A167-K170 PolarHBondContact O-N 3.4Å; E168-K170 PolarHBondContact O-N 3.37Å; K170-G174 PolarHBondContact O-N 3.36Å; K170-L175 PolarHBondContact O-N 3.12Å; K170-Q176 HydrophobicContact CB-CG 4.28Å
171K76.6Confident71.8Confident149 Ų14989.4 Ų89.465%0.64849%0.487SS*.Hα-helixtrans-67.3-46.9174.3-176.4-174.8176.2-172.30111A167 E168 T169 L173 G174A167-K171 WeakPolarHBondContact O-CB 3.14Å; A167-K171 PolarHBondContact O-N 3.02Å; E168-K171 WeakPolarHBondContact O-CB 3.35Å; E168-K171 PolarHBondContact O-N 2.82Å; E168-K171 VanDerWaalsContact O-N 3.17Å; T169-K171 VanDerWaalsContact C-N 3.29Å; T169-K171 PolarHBondContact O-N 3.4Å; K171-L173 VanDerWaalsContact C-N 3.34Å; K171-L173 PolarHBondContact O-N 3.09Å; K171-G174 PolarHBondContact O-N 3.27Å
172V71.4Confident70.8Confident54 Ų5492.9 Ų92.933%0.32750%0.503SS..Hα-helixtrans-63.9-38.1179.9166.60000111.8M24 E168 T169 G174M24-V172 HydrophobicContact CE-CG1 3.31Å; M24-V172 HydrophobicContact SD-CG1 3.35Å; M24-V172 WeakPolarHBondContact SD-CG1 3.38Å; E168-V172 HydrophobicContact CG-CG2 4.22Å; E168-V172 WeakPolarHBondContact O-CB 3.22Å; E168-V172 VanDerWaalsContact O-CG2 3.24Å; E168-V172 WeakPolarHBondContact O-CG2 3.36Å; E168-V172 PolarHBondContact O-N 2.9Å; T169-V172 PolarHBondContact O-N 3.39Å; V172-G174 PolarHBondContact O-N 2.87Å
173L72.1Confident70.1Confident34 Ų3496 Ų9618%0.17852%0.519CS..THydrogen-bonded Turntrans-79.30.5175.3-62.6178.8000113.7A23 M24 P50 T169 K171 L175A23-L173 WeakPolarHBondContact O-CD2 3.11Å; M24-L173 HydrophobicContact CE-CD2 4.13Å; M24-L173 HydrophobicContact SD-CD2 3.71Å; P50-L173 HydrophobicContact CG-CD1 4.39Å; P50-L173 HydrophobicContact CG-CD2 4.04Å; T169-L173 HydrophobicContact CG2-CD1 3.83Å; T169-L173 HydrophobicContact CG2-CG 4.34Å; T169-L173 WeakPolarHBondContact O-CB 3.3Å; T169-L173 VanDerWaalsContact O-CG 3.3Å; T169-L173 WeakPolarHBondContact O-CG 3.47Å; T169-L173 PolarHBondContact O-N 2.74Å; K171-L173 VanDerWaalsContact C-N 3.34Å; K171-L173 PolarHBondContact O-N 3.09Å; L173-L175 HydrophobicContact CB-CD1 3.79Å; L173-L175 HydrophobicContact CB-CG 3.75Å; L173-L175 HydrophobicContact CD1-CD1 3.87Å; L173-L175 HydrophobicContact CG-CD1 4.5Å; L173-L175 PolarHBondContact O-N 2.98Å; L173-L175 VanDerWaalsContact O-N 3.12Å
174G68.5Low69.6Low38 Ų38101.1 Ų101.139%0.39255%0.55SS.*THydrogen-bonded Turntrans61.717.6-177.400000113.8K170 K171 V172 Q176 D177K170-G174 PolarHBondContact O-N 3.36Å; K171-G174 PolarHBondContact O-N 3.27Å; V172-G174 PolarHBondContact O-N 2.87Å; G174-Q176 PolarHBondContact O-N 2.95Å; G174-D177 PolarHBondContact O-N 3.35Å
175L65.5Low69Low109 Ų10999.4 Ų99.457%0.57155%0.549SS*.  trans-74.1-16.4-176.3-67.2170.9000112.5K170 L173K170-L175 PolarHBondContact O-N 3.12Å; L173-L175 HydrophobicContact CB-CD1 3.79Å; L173-L175 HydrophobicContact CB-CG 3.75Å; L173-L175 HydrophobicContact CD1-CD1 3.87Å; L173-L175 HydrophobicContact CG-CD1 4.5Å; L173-L175 PolarHBondContact O-N 2.98Å; L173-L175 VanDerWaalsContact O-N 3.12Å
176Q60.7Low68.5Low121 Ų121103.1 Ų103.157%0.56557%0.568SS**SBendtrans-88.5-25.5175.4-86.3-172.795.400113.8K170 G174K170-Q176 HydrophobicContact CB-CG 4.28Å; G174-Q176 PolarHBondContact O-N 2.95Å
177D56.2Low67.1Low116 Ų116105.4 Ų105.462%0.6258%0.578SS**  trans-106.770.7-177.4-63.4-57.5000109.3G174 I179G174-D177 PolarHBondContact O-N 3.35Å; D177-I179 PolarHBondContact O-N 3.07Å
178T52.1Low66Low112 Ų112110.5 Ų110.569%0.68760%0.598SS**  trans-64.987.1170.254.30000108.7T180T178-T180 PolarHBondContact O-N 2.97Å
179I59.5Low64.7Low156 Ų156111.8 Ų111.880%0.862%0.62SS**  trans-63.193.3167-60.9169000106.1D177 A181D177-I179 PolarHBondContact O-N 3.07Å; I179-A181 PolarHBondContact O-N 3.44Å; I179-A181 VanDerWaalsContact O-N 3.09Å
180T57.2Low63.7Low125 Ų125115 Ų11577%0.76765%0.648SS**  trans-72.995.4172.742.40000108T178 E182T178-T180 PolarHBondContact O-N 2.97Å; T180-E182 PolarHBondContact O-N 3.37Å
181A57.8Low62.6Low95 Ų95118.6 Ų118.679%0.78567%0.667SS**  trans-79.2105.1166.500000108.4I179I179-A181 PolarHBondContact O-N 3.44Å; I179-A181 VanDerWaalsContact O-N 3.09Å
182E65.1Low61.1Low173 Ų173117.3 Ų117.381%0.80867%0.674SS**  trans-76.1126.5166.1-171.3-178.5159.800108.5T180 V184T180-E182 PolarHBondContact O-N 3.37Å; E182-V184 PolarHBondContact O-N 2.78Å; E182-V184 VanDerWaalsContact O-N 3.08Å
183L70.5Confident59.5Low148 Ų148123.9 Ų123.978%0.77570%0.698SS**  trans-74.797175.7-178.970.4000109V185L183-V185 HydrophobicContact CD2-CG2 4.2Å; L183-V185 HydrophobicContact CG-CG2 4.2Å; L183-V185 PolarHBondContact O-N 2.83Å
184V73.4Confident58.4Low110 Ų110130.2 Ų130.267%0.66773%0.727SS**  trans-77.3102.6168.1-175.50000108.1E182 I186E182-V184 PolarHBondContact O-N 2.78Å; E182-V184 VanDerWaalsContact O-N 3.08Å; V184-I186 HydrophobicContact CG1-CG1 4.37Å; V184-I186 PolarHBondContact O-N 3.09Å
185V71.6Confident57.1Low102 Ų102134.2 Ų134.262%0.61875%0.746SS**  trans-73.5104168.7179.80000107.3L183 E187L183-V185 HydrophobicContact CD2-CG2 4.2Å; L183-V185 HydrophobicContact CG-CG2 4.2Å; L183-V185 PolarHBondContact O-N 2.83Å; V185-E187 HydrophobicContact CG1-CG 4.3Å; V185-E187 PolarHBondContact O-N 3.08Å
186I70.1Confident56.1Low151 Ų151132.2 Ų132.277%0.77475%0.745SS**  trans-76.9102.8166.6-55.8174.4000106V184 D188V184-I186 HydrophobicContact CG1-CG1 4.37Å; V184-I186 PolarHBondContact O-N 3.09Å; I186-D188 PolarHBondContact O-N 3.36Å
187E50.9Low55.7Low173 Ų173132.4 Ų132.481%0.80876%0.756SS**  trans-67.6109168-71.3-176.5153.500108.4V185 A189V185-E187 HydrophobicContact CG1-CG 4.3Å; V185-E187 PolarHBondContact O-N 3.08Å; E187-A189 VanDerWaalsContact C-N 3.31Å; E187-A189 PolarHBondContact O-N 3.23Å
188D55.5Low55.2Low160 Ų160132.3 Ų132.386%0.85676%0.762SS**  trans-67.491167.6-17363.5000108.3I186 A190I186-D188 PolarHBondContact O-N 3.36Å; D188-A190 PolarHBondContact O-N 3.23Å
189A49.5Very low54.3Low91 Ų91134.9 Ų134.975%0.75277%0.772SS**  trans-79.5107.1173.300000109.2E187E187-A189 VanDerWaalsContact C-N 3.31Å; E187-A189 PolarHBondContact O-N 3.23Å
190A55.6Low53.2Low91 Ų91130.9 Ų130.975%0.75277%0.769SS**  trans-49.2143.8168.400000112.9D188D188-A190 PolarHBondContact O-N 3.23Å
191E54.6Low52.2Low182 Ų182131 Ų13185%0.8578%0.775SS**  trans-42.9159.8-173.4-50.7-177.697.200117
192P44.3Very low51.7Low122 Ų122131.3 Ų131.379%0.79278%0.777SS**  -148.2154.396.235.2-17.3000117.3
193K38.1Very low50.4Low193 Ų193127.8 Ų127.884%0.83978%0.778SS**  trans83.892.4153.7-88179.9173.81720119.8
194E49.9Very low48.8Very low167 Ų167129.6 Ų129.678%0.7878%0.782SS**  trans-47.1138.5140-141.5-173.8125.600111.8
195P41.3Very low48.3Very low122 Ų122129.6 Ų129.679%0.79278%0.784SS**  -125.5136.3117.533.1-26.1000112
196A44.2Very low47.1Very low67 Ų67130.7 Ų130.755%0.55479%0.793SS**PPolyproline II helixtrans-52.5153.6-175.600000115.8
197P51.5Low45.7Very low124 Ų124129.4 Ų129.481%0.80579%0.793SS**PPolyproline II helixtrans-85.3136.2176.733.3-31.2000111.8
198P46.6Very low45.1Very low115 Ų115130.2 Ų130.275%0.74780%0.797SS**PPolyproline II helixtrans-100.5119.1162.532.3-24.9000111.1
199N34Very low44.3Very low166 Ų166126.4 Ų126.489%0.88879%0.788SS**  trans55.1121.7155-70-20.6000117.7
200G35.2Very low43.7Very low71 Ų71126.6 Ų126.673%0.73279%0.789SS**  cis114.9112.333.900000108.5
201S36.3Very low43.1Very low129 Ų129127.9 Ų127.990%0.90279%0.793SS**  trans173.4129.8134.3-110.10000111.4
202A47.4Very low42.4Very low100 Ų100129.2 Ų129.283%0.82679%0.79SS**  trans-64.9143.5162.400000111.1
203A37.2Very low42.2Very low99 Ų99130.4 Ų130.482%0.81879%0.785SS**  trans-164.1122.6146.200000109
204E38.2Very low42.1Very low187 Ų187130.5 Ų130.587%0.87479%0.788SS**  trans-73.9-167.1166.1-56.3175.481.200111
205P62.6Low41.5Very low109 Ų109128.6 Ų128.671%0.70878%0.784SS**  -93.8-170.8-120.532.5-9.4000113
206P46.9Very low41.5Very low125 Ų125131.5 Ų131.581%0.81279%0.787SS**  -148.4156.699.136.3-18.4000116.8
207T40.6Very low40.8Very low124 Ų124132.8 Ų132.876%0.76180%0.797SS**  trans-62.6144.1154.7-35.70000111.9
208E37.4Very low39.9Very low190 Ų190130.4 Ų130.489%0.88880%0.795SS**  trans151.3148.4148.8-91.3-174.8130.700108.2
209A40.1Very low40.1Very low81 Ų81130.6 Ų130.667%0.66980%0.796SS**  cis-172.9148.6-20.900000105.2
210A36.4Very low40.1Very low95 Ų95131.5 Ų131.579%0.78580%0.795SS**  trans57.4114.7144.300000121
211S42.9Very low40.2Very low118 Ų118131.9 Ų131.983%0.82579%0.791SS**  -160.3102.6113.319.40000107.1
212R40.3Very low40Very low210 Ų210131.8 Ų131.879%0.79279%0.785SS**  64.79380.9-165.7170.7-172.7-144.9-4.2110.6
213E38.5Very low39.6Very low146 Ų146133.6 Ų133.668%0.68279%0.786SS**  83.8111.790.6-171.7-179.678.700111.6
214E36.5Very low39.7Very low196 Ų196134.5 Ų134.592%0.91679%0.787SS**  -148142124-163.9162.682.700109.2
215N37.4Very low39.8Very low127 Ų127132.6 Ų132.668%0.67978%0.782SS**  trans-129.7167.1-163-149.8-64.3000107.5
216Q41Very low39.3Very low183 Ų183132.3 Ų132.386%0.85578%0.781SS**  trans96.5143.6168.5-59.9167.887.900115.7
217A30.7Very low39.4Very low93 Ų93135.6 Ų135.677%0.76979%0.785SS**  cis-170.2156.5-12.800000105.9
218G31.3Very low39.6Very low74 Ų74136.4 Ų136.476%0.76379%0.785SS**  trans-72.3-148.8179.900000114.2
219P52.1Low40.2Very low120 Ų120135.9 Ų135.978%0.77979%0.787SS**  cis-132.7-158.9-11.235.1-12.4000113
220E33.5Very low40.5Very low185 Ų185137.6 Ų137.686%0.86479%0.785SS**  trans89.3150.7164-46.8-160.49900117.6
221A37.1Very low41.3Very low78 Ų78141.8 Ų141.865%0.64579%0.791SS**  cis-172.5155.6-36.400000105.5
222T31.4Very low42.1Very low127 Ų127144.5 Ų144.578%0.77979%0.788SS**  trans72.8112.5158.69.30000119.3
223T38.9Very low43.2Very low138 Ų138144.1 Ų144.185%0.84779%0.792SS**  -177.5124.697.733.10000110.3
224S40.7Very low44.1Very low118 Ų118145.8 Ų145.883%0.82580%0.799SS**  trans-71.9143.5163.9-46.40000109.9
225D40.5Very low45.3Very low147 Ų147148.1 Ų148.179%0.78680%0.799SS**  177.7137.5113.6-157-112.1000112.3
226P51.7Low46.6Very low104 Ų104147.2 Ų147.268%0.67580%0.802SS**  trans-83.8141.3174.732.9-33.9000113.2D228P226-D228 PolarHBondContact O-N 3.19Å
227Q49.2Very low47.4Very low194 Ų194148.9 Ų148.991%0.90781%0.806SS**  trans-64103.3178.9-69.4-178-14.700112.8
228D44.2Very low49.2Very low141 Ų141149.2 Ų149.275%0.75480%0.802SS**  40.596.8125.4-153-112.2000117.7P226P226-D228 PolarHBondContact O-N 3.19Å
229L50.4Low50.7Low179 Ų179151.8 Ų151.894%0.93781%0.807SS**  trans-93.793.6159.6-66.8173.2000108.8
230D46.3Very low51.2Low117 Ų117151.2 Ų151.263%0.62681%0.806SS**  trans-129.496162.7-155.2-85.4000112
231M52.2Low51.8Low183 Ų183150 Ų15090%0.90180%0.804SS**  trans-139.472.6153.1-134.4102.76700109.1K233M231-K233 PolarHBondContact O-N 3.19Å
232K60.3Low52.2Low175 Ų175158.3 Ų158.376%0.76183%0.832SS**  trans39.681.8133.1-135.4168.5-169165.10116.5
233K62.8Low53.2Low201 Ų201159.9 Ų159.987%0.87484%0.835SS**  trans-137117.2151-104.6171.8-175.2176.70110.1M231 R235M231-K233 PolarHBondContact O-N 3.19Å; K233-R235 PolarHBondContact O-N 2.96Å
234H58.6Low54Low182 Ų182161 Ų16184%0.84383%0.834SS**  trans-49.5116-172.2-67.7-97000113.3
235R60.5Low54.7Low244 Ų244163.4 Ų163.492%0.92184%0.835SS**  trans-87.1113169.9-161.3170.2166.5174.9-4.4108.5K233K233-R235 PolarHBondContact O-N 2.96Å
236C65Low55.6Low109 Ų109164.4 Ų164.474%0.73684%0.837SS**  trans-53.5139.9-179.9-74.30000112.3C238C236-C238 PolarHBondContact O-N 3.36Å
237K58.4Low55.8Low217 Ų217168.1 Ų168.194%0.94385%0.848SS**SBendtrans-102.655-169.1-146.9169.2-167.51770110.8
238C67.9Low56.2Low101 Ų101166.4 Ų166.468%0.68284%0.844SS**  trans-142.17.1-173.245.40000117.5C236C236-C238 PolarHBondContact O-N 3.36Å
239C64Low57.1Low128 Ų128168.2 Ų168.287%0.86585%0.85SS**  trans-111.644.8179.6-61.30000114
240S62.7Low57.6Low107 Ų107167.4 Ų167.475%0.74884%0.843SS**  trans-122.9106160.7-58.10000107.5
241I45.7Very low58.6Low161 Ų161171.6 Ų171.683%0.82686%0.861SS**  trans177.4136.3132.7-84.3148.2000108.5
242M44.7Very low59.1Low251 Ų251170.5 Ų170.5100%1.23686%0.858SS**  trans-8.10168-75.3173.3-83.400119.6

Retrieved 242 of 242 residues in 49.5 ms (Link to these results)