A0A087WRZ5_MOUSE Loading...

TAR DNA-binding protein 43

AlphaFold DB , UniProt , Accession A0A087WRZ5, Species MOUSE (Mus musculus, Mouse), Gene Tardbp, Length 285 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
1M55.4Low78.1Confident216 Ų21684.3 Ų84.3100%1.06440%0.401SS*.  0117.70-77.1-179.5-170.100104.5E3M1-E3 PolarHBondContact O-N 3.17Å; M1-E3 VanDerWaalsContact O-N 3.15Å
2S59.7Low77Confident67 Ų6789.7 Ų89.747%0.46943%0.434SS..  trans-62.6116.6179.8-45.90000108.8
3E80.4Confident76.8Confident125 Ų12589.6 Ų89.658%0.58444%0.437SS*.  trans-83157.1171.2-68-175.194.100108.5M1 S20M1-E3 PolarHBondContact O-N 3.17Å; M1-E3 VanDerWaalsContact O-N 3.15Å; E3-S20 PolarHBondContact N-OG 2.93Å; E3-S20 PolarHBondContact O-N 3.27Å; E3-S20 PolarHBondContact O-OG 3.49Å
4Y86.2Confident77Confident139 Ų13996.1 Ų96.155%0.54547%0.466SS..EExtended strand (participates in β ladder)trans-114.5138.1178.6-67.9-95000109.4E17 I18 P19Y4-E17 HydrophobicContact CD1-CB 4.2Å; Y4-I18 WeakPolarHBondContact CA-O 3.5Å; Y4-P19 HydrophobicContact CD1-CB 4.24Å; Y4-P19 HydrophobicContact CE1-CB 3.99Å
5I90.8Very high77.6Confident1 Ų193.6 Ų93.61%0.00546%0.46CS..EExtended strand (participates in β ladder)trans-108.4141177.271.7151.4000109.3V7 E17 I18 V26 L41 W68I5-V7 HydrophobicContact CD1-CG2 3.46Å; I5-V7 VanDerWaalsContact CD1-CG2 3.46Å; I5-V7 HydrophobicContact CG1-CG2 3.78Å; I5-E17 CarbonylContact O-C 3.59Å; I5-E17 WeakPolarHBondContact O-CA 3.31Å; I5-I18 HydrophobicContact CG1-CB 3.91Å; I5-I18 HydrophobicContact CG1-CG2 4.48Å; I5-I18 WeakPolarHBondContact CG1-O 3.44Å; I5-I18 PolarHBondContact N-O 2.96Å; I5-I18 PolarHBondContact O-N 2.76Å; I5-V26 HydrophobicContact CD1-CB 4.32Å; I5-V26 HydrophobicContact CD1-CG1 4.08Å; I5-V26 HydrophobicContact CD1-CG2 3.81Å; I5-V26 HydrophobicContact CG1-CG2 4.08Å; I5-V26 HydrophobicContact CG2-CG2 4.07Å; I5-L41 HydrophobicContact CD1-CD1 3.96Å; I5-W68 HydrophobicContact CB-CD2 4.34Å; I5-W68 HydrophobicContact CB-CE3 4.25Å; I5-W68 HydrophobicContact CB-CG 4.46Å; I5-W68 HydrophobicContact CD1-CE3 4.09Å; I5-W68 HydrophobicContact CD1-CH2 4.29Å; I5-W68 HydrophobicContact CD1-CZ3 3.93Å; I5-W68 HydrophobicContact CG2-CB 3.61Å; I5-W68 HydrophobicContact CG2-CD2 3.43Å; I5-W68 VanDerWaalsContact CG2-CD2 3.43Å; I5-W68 HydrophobicContact CG2-CE3 3.82Å; I5-W68 HydrophobicContact CG2-CG 3.29Å
6R90.3Very high78.2Confident95 Ų9592.1 Ų92.136%0.35845%0.453SS..EExtended strand (participates in β ladder)trans-92.2113.9-179.7-72.6177.9-176.5175.21.4109.9P15 E17 N70 V72 Y73R6-P15 HydrophobicContact CB-CB 3.98Å; R6-E17 HydrophobicContact CG-CG 4.03Å; R6-E17 IonicContact CZ-OE1 3.05Å; R6-E17 IonicContact NE-OE1 3.34Å; R6-E17 PolarHBondContact NE-OE1 2.82Å; R6-E17 IonicContact NH2-OE1 3.1Å; R6-N70 PolarHBondContact NH1-OD1 3.03Å; R6-V72 HydrophobicContact CB-CG2 4.44Å; R6-Y73 PolarHBondContact O-N 2.8Å
7V89.5Confident78.9Confident0 Ų092.9 Ų92.90%046%0.456CS..EExtended strand (participates in β ladder)trans-120134-176.1-174.80000110.4I5 P15 I16 I18 F35 L41 Y73 V75I5-V7 HydrophobicContact CD1-CG2 3.46Å; I5-V7 VanDerWaalsContact CD1-CG2 3.46Å; I5-V7 HydrophobicContact CG1-CG2 3.78Å; V7-P15 WeakPolarHBondContact O-CA 3.43Å; V7-I16 PolarHBondContact N-O 2.83Å; V7-I16 PolarHBondContact O-N 2.63Å; V7-I18 HydrophobicContact CB-CD1 3.93Å; V7-I18 HydrophobicContact CB-CG1 4.24Å; V7-I18 HydrophobicContact CG1-CD1 4.33Å; V7-I18 HydrophobicContact CG2-CB 4.37Å; V7-I18 HydrophobicContact CG2-CD1 3.86Å; V7-I18 HydrophobicContact CG2-CG1 4.07Å; V7-F35 HydrophobicContact CB-CE2 3.89Å; V7-F35 HydrophobicContact CB-CZ 4.43Å; V7-F35 HydrophobicContact CG1-CD2 3.99Å; V7-F35 HydrophobicContact CG1-CE2 3.55Å; V7-F35 HydrophobicContact CG1-CZ 4.13Å; V7-F35 WeakPolarHBondContact O-CZ 3.24Å; V7-L41 HydrophobicContact CG1-CD2 3.72Å; V7-L41 HydrophobicContact CG2-CD1 4.23Å; V7-Y73 CarbonylContact C-O 3.56Å; V7-Y73 VanDerWaalsContact CA-O 3.24Å; V7-Y73 WeakPolarHBondContact CA-O 3.37Å; V7-V75 HydrophobicContact CG1-CG2 3.49Å; V7-V75 VanDerWaalsContact CG1-CG2 3.49Å
8T88.3Confident79.4Confident3 Ų387.9 Ų87.92%0.01843%0.431CS..EExtended strand (participates in β ladder)trans-133.1156.5178.3-1710000111.4D10 D13 V72 Y73 V74 V75T8-D10 WeakPolarHBondContact CG2-O 3.44Å; T8-D10 PolarHBondContact OG1-N 3.15Å; T8-D10 PolarHBondContact OG1-O 3.43Å; T8-D13 WeakPolarHBondContact OG1-CB 3.45Å; T8-V72 HydrophobicContact CG2-CG1 3.62Å; T8-Y73 PolarHBondContact N-O 3.24Å; T8-V74 HydrophobicContact CG2-CG2 3.99Å; T8-V74 CarbonylContact O-C 3.35Å; T8-V74 VanDerWaalsContact O-CA 3.3Å; T8-V74 WeakPolarHBondContact O-CA 3.4Å; T8-V75 WeakPolarHBondContact O-CG2 3.46Å; T8-V75 PolarHBondContact O-N 2.82Å
9E80.4Confident79.9Confident103 Ų10386 Ų8648%0.48143%0.427SS..SBendtrans-79.8-42.8172.8175.3156-113.200111.4F35 V74 Y77E9-F35 HydrophobicContact CB-CD1 4.33Å; E9-F35 HydrophobicContact CB-CE1 4.2Å; E9-V74 WeakPolarHBondContact O-CG1 3.34Å; E9-Y77 HydrophobicContact CG-CE2 4.05Å; E9-Y77 VanDerWaalsContact OE1-CE2 3.22Å; E9-Y77 WeakPolarHBondContact OE1-CE2 3.43Å; E9-Y77 PolarHBondContact OE1-OH 3.5Å
10D73.3Confident80.3Confident74 Ų7482 Ų8240%0.39641%0.407SS..SBendtrans-128.6158.5178.4-165.1-97.8000112T8 N12 D13T8-D10 WeakPolarHBondContact CG2-O 3.44Å; T8-D10 PolarHBondContact OG1-N 3.15Å; T8-D10 PolarHBondContact OG1-O 3.43Å; D10-N12 PolarHBondContact O-N 3.45Å; D10-N12 PolarHBondContact OD1-N 2.91Å; D10-N12 VanDerWaalsContact OD1-N 3.08Å; D10-N12 PolarHBondContact OD1-ND2 3.19Å; D10-D13 PolarHBondContact O-N 3.37Å
11E64.4Low80.8Confident104 Ų10481.8 Ų81.849%0.48641%0.405SS..THydrogen-bonded Turntrans-65.7-16.4178.5-62.3-168.312400112.8R44 V74E11-R44 IonicContact OE1-CZ 3.6Å; E11-R44 IonicContact OE1-NE 3.81Å; E11-R44 PolarHBondContact OE1-NE 3.05Å; E11-R44 IonicContact OE1-NH1 3.05Å; E11-R44 IonicContact OE1-NH2 2.64Å; E11-R44 PolarHBondContact OE1-NH2 3.49Å; E11-R44 IonicContact OE2-CZ 3.5Å; E11-R44 IonicContact OE2-NH2 3.14Å; E11-R44 PolarHBondContact OE2-NH2 3.5Å; E11-V74 HydrophobicContact CG-CG2 4.23Å
12N64.8Low82Confident149 Ų14978.5 Ų78.580%0.79739%0.392SS*.THydrogen-bonded Turntrans-97.1-7.1179.4-58.9-74.5000114.5D10D10-N12 PolarHBondContact O-N 3.45Å; D10-N12 PolarHBondContact OD1-N 2.91Å; D10-N12 VanDerWaalsContact OD1-N 3.08Å; D10-N12 PolarHBondContact OD1-ND2 3.19Å
13D74.7Confident83.1Confident89 Ų8980.9 Ų80.948%0.47640%0.399SS..SBendtrans-89.5154.4-178.1-80.1-37.2000112.7T8 D10T8-D13 WeakPolarHBondContact OG1-CB 3.45Å; D10-D13 PolarHBondContact O-N 3.37Å
14E80.2Confident83.2Confident181 Ų18175.9 Ų75.985%0.84638%0.381SS*.PPolyproline II helixtrans-67.1124.7173.1-68.4-171.7148.100110.2
15P86.4Confident83.4Confident58 Ų5869.7 Ų69.738%0.37736%0.358SS..PPolyproline II helixtrans-71.2141.4-177.328.3-33.9000111.6R6 V7 V72R6-P15 HydrophobicContact CB-CB 3.98Å; V7-P15 WeakPolarHBondContact O-CA 3.43Å; P15-V72 HydrophobicContact CB-CG1 4.27Å
16I85.8Confident83.4Confident69 Ų6969.7 Ų69.735%0.35436%0.358SS..EExtended strand (participates in β ladder)trans-94.2134.4172.8-64.1176.9000109V7 I18 F35V7-I16 PolarHBondContact N-O 2.83Å; V7-I16 PolarHBondContact O-N 2.63Å; I16-I18 HydrophobicContact CG2-CG1 4.44Å; I16-F35 HydrophobicContact CB-CE2 4.36Å; I16-F35 HydrophobicContact CB-CZ 4.09Å; I16-F35 HydrophobicContact CD1-CE1 4.3Å; I16-F35 HydrophobicContact CD1-CE2 4.45Å; I16-F35 HydrophobicContact CD1-CZ 3.81Å; I16-F35 HydrophobicContact CG1-CZ 4.21Å
17E90.2Very high83.3Confident107 Ų10767.7 Ų67.750%0.535%0.354SS..EExtended strand (participates in β ladder)trans-83.2118.4175.4-71.8-172.315100110.7Y4 I5 R6Y4-E17 HydrophobicContact CD1-CB 4.2Å; I5-E17 CarbonylContact O-C 3.59Å; I5-E17 WeakPolarHBondContact O-CA 3.31Å; R6-E17 HydrophobicContact CG-CG 4.03Å; R6-E17 IonicContact CZ-OE1 3.05Å; R6-E17 IonicContact NE-OE1 3.34Å; R6-E17 PolarHBondContact NE-OE1 2.82Å; R6-E17 IonicContact NH2-OE1 3.1Å
18I89.2Confident83.3Confident2 Ų269 Ų691%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-108.4129.1179-60-166.1000109.1Y4 I5 V7 I16 V26 T30 V31 Q34 F35Y4-I18 WeakPolarHBondContact CA-O 3.5Å; I5-I18 HydrophobicContact CG1-CB 3.91Å; I5-I18 HydrophobicContact CG1-CG2 4.48Å; I5-I18 WeakPolarHBondContact CG1-O 3.44Å; I5-I18 PolarHBondContact N-O 2.96Å; I5-I18 PolarHBondContact O-N 2.76Å; V7-I18 HydrophobicContact CB-CD1 3.93Å; V7-I18 HydrophobicContact CB-CG1 4.24Å; V7-I18 HydrophobicContact CG1-CD1 4.33Å; V7-I18 HydrophobicContact CG2-CB 4.37Å; V7-I18 HydrophobicContact CG2-CD1 3.86Å; V7-I18 HydrophobicContact CG2-CG1 4.07Å; I16-I18 HydrophobicContact CG2-CG1 4.44Å; I18-V26 HydrophobicContact CG2-CG1 4.11Å; I18-T30 HydrophobicContact CG2-CG2 3.74Å; I18-V31 HydrophobicContact CD1-CB 4.31Å; I18-V31 HydrophobicContact CD1-CG1 4.39Å; I18-V31 HydrophobicContact CD1-CG2 4.06Å; I18-Q34 HydrophobicContact CD1-CB 4.47Å; I18-Q34 HydrophobicContact CD1-CG 4.45Å; I18-F35 HydrophobicContact CD1-CD2 4.17Å; I18-F35 HydrophobicContact CD1-CE2 3.96Å
19P87.6Confident83.1Confident52 Ų5272.3 Ų72.334%0.33838%0.384SS..EExtended strand (participates in β ladder)trans-69.5142.4179.829-34.8000111.8Y4 T30Y4-P19 HydrophobicContact CD1-CB 4.24Å; Y4-P19 HydrophobicContact CE1-CB 3.99Å; P19-T30 HydrophobicContact CG-CG2 4.39Å
20S89.2Confident83.4Confident5 Ų569.3 Ų69.34%0.03537%0.373CS..PPolyproline II helixtrans-91155.6167.877.40000111.7E3 T25E3-S20 PolarHBondContact N-OG 2.93Å; E3-S20 PolarHBondContact O-N 3.27Å; E3-S20 PolarHBondContact O-OG 3.49Å; S20-T25 WeakPolarHBondContact CA-O 3.4Å; S20-T25 WeakPolarHBondContact CB-O 3.26Å
21E89.4Confident84.1Confident79 Ų7965.8 Ų65.837%0.36935%0.354SS..PPolyproline II helixtrans-70.9167.6170.5-58.2-59.112700110.9D23 G24 T25 L27E21-D23 WeakPolarHBondContact CB-OD1 3.36Å; E21-D23 PolarHBondContact O-N 2.85Å; E21-G24 PolarHBondContact O-N 3.26Å; E21-T25 PolarHBondContact N-O 3.35Å; E21-L27 HydrophobicContact CG-CG 4.14Å
22D81.9Confident85.1Confident146 Ų14663.2 Ų63.278%0.78135%0.346SS*.THydrogen-bonded Turntrans-65.6-20.8-178.5-70.7-51.7000113.7G24D22-G24 VanDerWaalsContact C-N 3.29Å
23D82.2Confident85.9Confident117 Ų11759.4 Ų59.463%0.62634%0.335SS*.THydrogen-bonded Turntrans-88.14175.370.6-6.4000113.2E21 T25E21-D23 WeakPolarHBondContact CB-OD1 3.36Å; E21-D23 PolarHBondContact O-N 2.85Å; D23-T25 VanDerWaalsContact C-N 3.29Å; D23-T25 PolarHBondContact O-N 2.75Å; D23-T25 VanDerWaalsContact OD1-CB 3.31Å; D23-T25 WeakPolarHBondContact OD1-CB 3.29Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.29Å; D23-T25 PolarHBondContact OD1-N 2.81Å; D23-T25 PolarHBondContact OD1-OG1 3.22Å; D23-T25 PolarHBondContact OD2-OG1 3.34Å
24G82.4Confident86.3Confident20 Ų2060.3 Ų60.321%0.20634%0.336CS..SBendtrans77.69.6-178.900000114E21 D22 W68E21-G24 PolarHBondContact O-N 3.26Å; D22-G24 VanDerWaalsContact C-N 3.29Å; G24-W68 PolarHBondContact O-NE1 2.89Å
25T89.9Confident86.6Confident10 Ų1052.5 Ų52.56%0.06130%0.299CS..  trans-88.7166.2171.968.70000111.8S20 E21 D23 I60 L61S20-T25 WeakPolarHBondContact CA-O 3.4Å; S20-T25 WeakPolarHBondContact CB-O 3.26Å; E21-T25 PolarHBondContact N-O 3.35Å; D23-T25 VanDerWaalsContact C-N 3.29Å; D23-T25 PolarHBondContact O-N 2.75Å; D23-T25 VanDerWaalsContact OD1-CB 3.31Å; D23-T25 WeakPolarHBondContact OD1-CB 3.29Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.29Å; D23-T25 PolarHBondContact OD1-N 2.81Å; D23-T25 PolarHBondContact OD1-OG1 3.22Å; D23-T25 PolarHBondContact OD2-OG1 3.34Å; T25-I60 HydrophobicContact CG2-CG2 3.82Å; T25-L61 WeakPolarHBondContact CA-O 3.45Å
26V90.3Very high86.2Confident0 Ų054.8 Ų54.80%031%0.314CS..EExtended strand (participates in β ladder)trans-126.9130.4173.7174.40000108.8I5 I18 V31 L61 W68I5-V26 HydrophobicContact CD1-CB 4.32Å; I5-V26 HydrophobicContact CD1-CG1 4.08Å; I5-V26 HydrophobicContact CD1-CG2 3.81Å; I5-V26 HydrophobicContact CG1-CG2 4.08Å; I5-V26 HydrophobicContact CG2-CG2 4.07Å; I18-V26 HydrophobicContact CG2-CG1 4.11Å; V26-V31 HydrophobicContact CG1-CG2 3.81Å; V26-L61 HydrophobicContact CB-CB 4.33Å; V26-L61 HydrophobicContact CG1-CD1 4.47Å; V26-L61 PolarHBondContact N-O 2.77Å; V26-L61 WeakPolarHBondContact O-CA 3.34Å; V26-L61 VanDerWaalsContact O-CB 3.28Å; V26-L61 WeakPolarHBondContact O-CB 3.41Å; V26-L61 PolarHBondContact O-N 3.36Å; V26-W68 HydrophobicContact CB-CH2 4.27Å; V26-W68 HydrophobicContact CB-CZ2 3.92Å; V26-W68 HydrophobicContact CG2-CH2 4.15Å; V26-W68 HydrophobicContact CG2-CZ2 3.54Å
27L89.4Confident85.8Confident54 Ų5453.8 Ų53.828%0.28332%0.321SS..EExtended strand (participates in β ladder)trans-75.7130.8176.8-60.4175.9000110.6E21 S29 T30 V31 I60E21-L27 HydrophobicContact CG-CG 4.14Å; L27-S29 WeakPolarHBondContact CB-OG 3.45Å; L27-S29 PolarHBondContact O-N 3.17Å; L27-T30 WeakPolarHBondContact O-CB 3.28Å; L27-T30 PolarHBondContact O-N 3.06Å; L27-V31 PolarHBondContact O-N 2.83Å; L27-V31 VanDerWaalsContact O-N 3.17Å; L27-I60 HydrophobicContact CD2-CG1 4.09Å
28L88.8Confident85.5Confident27 Ų2749 Ų4914%0.14130%0.3CS..Hα-helixtrans-59.1-32.4173.3-17964.2000110.7T30 V31 T32 L56 G59 L61L28-T30 VanDerWaalsContact C-N 3.33Å; L28-T30 PolarHBondContact O-N 2.78Å; L28-V31 HydrophobicContact CD1-CB 4.47Å; L28-V31 CarbonylContact O-C 3.59Å; L28-V31 WeakPolarHBondContact O-CB 3.18Å; L28-V31 PolarHBondContact O-N 2.78Å; L28-T32 HydrophobicContact CD1-CG2 4.37Å; L28-T32 HydrophobicContact CG-CG2 4.2Å; L28-T32 VanDerWaalsContact O-CG2 3.29Å; L28-T32 WeakPolarHBondContact O-CG2 3.49Å; L28-T32 PolarHBondContact O-N 2.82Å; L28-T32 PolarHBondContact O-OG1 2.9Å; L28-L56 HydrophobicContact CB-CD1 4.14Å; L28-L56 HydrophobicContact CD2-CD1 4.06Å; L28-L56 HydrophobicContact CD2-CD2 3.96Å; L28-G59 WeakPolarHBondContact CB-O 3.5Å; L28-G59 PolarHBondContact N-O 3.19Å; L28-L61 HydrophobicContact CD1-CD1 4.3Å
29S84.9Confident85.4Confident73 Ų7351.6 Ų51.651%0.5132%0.318SS..Hα-helixtrans-58.7-43.517451.60000112L27 V31 T32 A33L27-S29 WeakPolarHBondContact CB-OG 3.45Å; L27-S29 PolarHBondContact O-N 3.17Å; S29-V31 VanDerWaalsContact C-N 3.34Å; S29-V31 PolarHBondContact O-N 3.25Å; S29-T32 VanDerWaalsContact CA-OG1 3.26Å; S29-T32 WeakPolarHBondContact CA-OG1 3.5Å; S29-T32 PolarHBondContact O-N 2.79Å; S29-T32 PolarHBondContact O-OG1 3Å; S29-A33 PolarHBondContact O-N 2.83Å
30T86.7Confident85.5Confident40 Ų4049.5 Ų49.525%0.24531%0.305CS..Hα-helixtrans-63.8-39.9175.6-49.70000111.3I18 P19 L27 L28 A33I18-T30 HydrophobicContact CG2-CG2 3.74Å; P19-T30 HydrophobicContact CG-CG2 4.39Å; L27-T30 WeakPolarHBondContact O-CB 3.28Å; L27-T30 PolarHBondContact O-N 3.06Å; L28-T30 VanDerWaalsContact C-N 3.33Å; L28-T30 PolarHBondContact O-N 2.78Å; T30-A33 PolarHBondContact O-N 2.94Å
31V88.4Confident85.6Confident0 Ų049.3 Ų49.30%030%0.304CS..Hα-helixtrans-63.5-44.7172.1-178.80000111I18 V26 L27 L28 S29 A33 Q34 F35 A38 L41 L61 V75I18-V31 HydrophobicContact CD1-CB 4.31Å; I18-V31 HydrophobicContact CD1-CG1 4.39Å; I18-V31 HydrophobicContact CD1-CG2 4.06Å; V26-V31 HydrophobicContact CG1-CG2 3.81Å; L27-V31 PolarHBondContact O-N 2.83Å; L27-V31 VanDerWaalsContact O-N 3.17Å; L28-V31 HydrophobicContact CD1-CB 4.47Å; L28-V31 CarbonylContact O-C 3.59Å; L28-V31 WeakPolarHBondContact O-CB 3.18Å; L28-V31 PolarHBondContact O-N 2.78Å; S29-V31 VanDerWaalsContact C-N 3.34Å; S29-V31 PolarHBondContact O-N 3.25Å; V31-A33 VanDerWaalsContact C-N 3.27Å; V31-A33 PolarHBondContact O-N 2.81Å; V31-Q34 PolarHBondContact O-N 2.92Å; V31-F35 HydrophobicContact CG1-CD2 4.22Å; V31-F35 WeakPolarHBondContact O-CB 3.46Å; V31-F35 PolarHBondContact O-N 3.31Å; V31-A38 HydrophobicContact CG1-CB 4.04Å; V31-L41 HydrophobicContact CG1-CD2 3.99Å; V31-L41 HydrophobicContact CG2-CD1 4.35Å; V31-L61 HydrophobicContact CG2-CD1 3.82Å; V31-V75 HydrophobicContact CG1-CG2 4.42Å
32T84.4Confident85.7Confident49 Ų4949.7 Ų49.730%0.30130%0.302SS..Hα-helixtrans-68.7-23.8-179.558.60000113.9L28 S29 Q34 F35 P36 A38L28-T32 HydrophobicContact CD1-CG2 4.37Å; L28-T32 HydrophobicContact CG-CG2 4.2Å; L28-T32 VanDerWaalsContact O-CG2 3.29Å; L28-T32 WeakPolarHBondContact O-CG2 3.49Å; L28-T32 PolarHBondContact O-N 2.82Å; L28-T32 PolarHBondContact O-OG1 2.9Å; S29-T32 VanDerWaalsContact CA-OG1 3.26Å; S29-T32 WeakPolarHBondContact CA-OG1 3.5Å; S29-T32 PolarHBondContact O-N 2.79Å; S29-T32 PolarHBondContact O-OG1 3Å; T32-Q34 VanDerWaalsContact C-N 3.3Å; T32-F35 WeakPolarHBondContact CA-O 3.41Å; T32-F35 CarbonylContact O-C 3.56Å; T32-P36 WeakPolarHBondContact O-CA 3.4Å; T32-A38 HydrophobicContact CG2-CB 3.99Å; T32-A38 VanDerWaalsContact CG2-O 3.29Å; T32-A38 WeakPolarHBondContact CG2-O 3.36Å
33A81.5Confident86Confident69 Ų6943.5 Ų43.557%0.5727%0.268SS*.Hα-helixtrans-64.2-38.3174.500000111.2S29 T30 V31S29-A33 PolarHBondContact O-N 2.83Å; T30-A33 PolarHBondContact O-N 2.94Å; V31-A33 VanDerWaalsContact C-N 3.27Å; V31-A33 PolarHBondContact O-N 2.81Å
34Q84.4Confident86.1Confident109 Ų10942.9 Ų42.951%0.50926%0.257SS..Hα-helixtrans-89.3-31.7177-54.1-4986.800112.3I18 V31 T32I18-Q34 HydrophobicContact CD1-CB 4.47Å; I18-Q34 HydrophobicContact CD1-CG 4.45Å; V31-Q34 PolarHBondContact O-N 2.92Å; T32-Q34 VanDerWaalsContact C-N 3.3Å
35F84.6Confident86.1Confident16 Ų1642.6 Ų42.67%0.0725%0.251CS..SBendtrans-126.382.2-176.8-59.3-79.9000111.1V7 E9 I16 I18 V31 T32 G37 A38 V75V7-F35 HydrophobicContact CB-CE2 3.89Å; V7-F35 HydrophobicContact CB-CZ 4.43Å; V7-F35 HydrophobicContact CG1-CD2 3.99Å; V7-F35 HydrophobicContact CG1-CE2 3.55Å; V7-F35 HydrophobicContact CG1-CZ 4.13Å; V7-F35 WeakPolarHBondContact O-CZ 3.24Å; E9-F35 HydrophobicContact CB-CD1 4.33Å; E9-F35 HydrophobicContact CB-CE1 4.2Å; I16-F35 HydrophobicContact CB-CE2 4.36Å; I16-F35 HydrophobicContact CB-CZ 4.09Å; I16-F35 HydrophobicContact CD1-CE1 4.3Å; I16-F35 HydrophobicContact CD1-CE2 4.45Å; I16-F35 HydrophobicContact CD1-CZ 3.81Å; I16-F35 HydrophobicContact CG1-CZ 4.21Å; I18-F35 HydrophobicContact CD1-CD2 4.17Å; I18-F35 HydrophobicContact CD1-CE2 3.96Å; V31-F35 HydrophobicContact CG1-CD2 4.22Å; V31-F35 WeakPolarHBondContact O-CB 3.46Å; V31-F35 PolarHBondContact O-N 3.31Å; T32-F35 WeakPolarHBondContact CA-O 3.41Å; T32-F35 CarbonylContact O-C 3.56Å; F35-G37 PolarHBondContact O-N 3.39Å; F35-A38 HydrophobicContact CB-CB 4.23Å; F35-A38 VanDerWaalsContact O-CB 3.27Å; F35-A38 WeakPolarHBondContact O-CB 3.49Å; F35-A38 PolarHBondContact O-N 2.61Å; F35-A38 VanDerWaalsContact O-N 3.13Å; F35-V75 HydrophobicContact CB-CG1 4.36Å; F35-V75 HydrophobicContact CB-CG2 4.01Å; F35-V75 HydrophobicContact CD1-CG2 4.03Å; F35-V75 HydrophobicContact CD2-CG2 3.91Å; F35-V75 HydrophobicContact CE1-CG2 4.48Å; F35-V75 HydrophobicContact CE2-CG2 4.37Å; F35-V75 HydrophobicContact CG-CG2 3.71Å
36P78.5Confident85.4Confident106 Ų10646 Ų4669%0.68827%0.273SS*.THydrogen-bonded Turntrans-58.2125-175.5-2635.2000112.8T32T32-P36 WeakPolarHBondContact O-CA 3.4Å
37G77.9Confident84.9Confident49 Ų4952.2 Ų52.251%0.50531%0.311SS..THydrogen-bonded Turntrans91.90.6179.800000115.1F35 C39 Y77 P78F35-G37 PolarHBondContact O-N 3.39Å; G37-C39 PolarHBondContact O-N 3.25Å; G37-Y77 WeakPolarHBondContact O-CD1 3.48Å; G37-P78 VanDerWaalsContact O-CD 3.3Å; G37-P78 WeakPolarHBondContact O-CD 3.42Å
38A84.6Confident84.5Confident7 Ų752.3 Ų52.36%0.05832%0.316CS..  trans-53.8129.1170.600000111.2V31 T32 F35 V75 Y77V31-A38 HydrophobicContact CG1-CB 4.04Å; T32-A38 HydrophobicContact CG2-CB 3.99Å; T32-A38 VanDerWaalsContact CG2-O 3.29Å; T32-A38 WeakPolarHBondContact CG2-O 3.36Å; F35-A38 HydrophobicContact CB-CB 4.23Å; F35-A38 VanDerWaalsContact O-CB 3.27Å; F35-A38 WeakPolarHBondContact O-CB 3.49Å; F35-A38 PolarHBondContact O-N 2.61Å; F35-A38 VanDerWaalsContact O-N 3.13Å; A38-V75 HydrophobicContact CB-CG1 3.35Å; A38-Y77 HydrophobicContact CB-CE1 4.45Å
39C86.6Confident84.1Confident56 Ų5656.5 Ų56.538%0.37833%0.334SS..  trans-111.61.7174.971.10000113.1G37 L56 N76 Y77 P78G37-C39 PolarHBondContact O-N 3.25Å; C39-L56 VanDerWaalsContact O-CD2 3.24Å; C39-L56 WeakPolarHBondContact O-CD2 3.48Å; C39-N76 PolarHBondContact N-O 3.13Å; C39-N76 PolarHBondContact SG-O 3.22Å; C39-Y77 VanDerWaalsContact SG-C 3.54Å; C39-P78 VanDerWaalsContact SG-N 3.41Å
40G89.2Confident83.5Confident7 Ų756.5 Ų56.57%0.07233%0.334CS..EExtended strand (participates in β ladder)trans165.5-174.5176.200000111.8N76G40-N76 PolarHBondContact N-O 3.36Å; G40-N76 PolarHBondContact O-N 3.47Å
41L91Very high83.4Confident1 Ų157.7 Ų57.71%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-126.1154.1178.1-63.9-178.7000110.7I5 V7 V31 V54 L61 V75 N76I5-L41 HydrophobicContact CD1-CD1 3.96Å; V7-L41 HydrophobicContact CG1-CD2 3.72Å; V7-L41 HydrophobicContact CG2-CD1 4.23Å; V31-L41 HydrophobicContact CG1-CD2 3.99Å; V31-L41 HydrophobicContact CG2-CD1 4.35Å; L41-V54 HydrophobicContact CB-CB 3.96Å; L41-V54 HydrophobicContact CB-CG2 3.68Å; L41-V54 WeakPolarHBondContact O-CB 3.09Å; L41-V54 PolarHBondContact O-N 2.81Å; L41-L61 HydrophobicContact CD1-CD1 3.75Å; L41-L61 HydrophobicContact CG-CD1 3.88Å; L41-V75 HydrophobicContact CD2-CB 4.41Å; L41-V75 HydrophobicContact CD2-CG2 3.9Å; L41-N76 PolarHBondContact O-ND2 3.21Å
42R91.1Very high83.2Confident88 Ų8863.3 Ų63.333%0.33236%0.358SS..EExtended strand (participates in β ladder)trans-137.6159.6167.658.9177.2176.2125.99.2109.7M51 R52 Y73 V74 N76R42-M51 HydrophobicContact CB-CE 4.09Å; R42-M51 HydrophobicContact CG-CE 3.57Å; R42-R52 CarbonylContact C-O 3.56Å; R42-R52 WeakPolarHBondContact CA-O 3.3Å; R42-R52 VanDerWaalsContact CB-O 3.26Å; R42-R52 WeakPolarHBondContact CB-O 3.49Å; R42-Y73 CarbonylContact O-C 3.54Å; R42-Y73 WeakPolarHBondContact O-CA 3.02Å; R42-V74 HydrophobicContact CG-CB 4.18Å; R42-V74 WeakPolarHBondContact CG-O 3.11Å; R42-V74 PolarHBondContact N-O 2.84Å; R42-V74 PolarHBondContact O-N 2.78Å; R42-N76 WeakPolarHBondContact CD-OD1 3.47Å; R42-N76 VanDerWaalsContact CG-OD1 3.22Å; R42-N76 WeakPolarHBondContact CG-OD1 3.49Å; R42-N76 PolarHBondContact NE-OD1 2.86Å; R42-N76 VanDerWaalsContact NE-OD1 3.11Å
43Y88.2Confident83.2Confident16 Ų1663.8 Ų63.86%0.06337%0.374CS..EExtended strand (participates in β ladder)trans-142.1155.9177.669.4-77.3000110.4M51 R52 V54 P64 L71 Y73Y43-M51 CarbonylContact O-C 3.57Å; Y43-M51 WeakPolarHBondContact O-CA 3.22Å; Y43-R52 HydrophobicContact CD1-CB 3.97Å; Y43-R52 WeakPolarHBondContact CD1-O 3.38Å; Y43-R52 HydrophobicContact CE1-CB 3.49Å; Y43-R52 VanDerWaalsContact CE1-CB 3.49Å; Y43-R52 HydrophobicContact CE2-CB 4.34Å; Y43-R52 PolarHBondContact N-O 3.5Å; Y43-R52 PolarHBondContact O-N 2.7Å; Y43-R52 WeakPolarHBondContact OH-CD 3.27Å; Y43-V54 HydrophobicContact CD1-CG2 4.1Å; Y43-P64 HydrophobicContact CE1-CG 3.87Å; Y43-L71 HydrophobicContact CD2-CD1 3.8Å; Y43-L71 HydrophobicContact CE2-CD1 3.88Å; Y43-Y73 HydrophobicContact CD1-CD1 4.17Å; Y43-Y73 AromaticContact CD1-CE1 3.74Å; Y43-Y73 HydrophobicContact CD1-CE1 3.74Å; Y43-Y73 HydrophobicContact CE1-CE1 4.5Å; Y43-Y73 HydrophobicContact CG-CD1 4.17Å; Y43-Y73 AromaticContact CG-CE1 3.82Å; Y43-Y73 HydrophobicContact CG-CE1 3.82Å
44R84.4Confident83.6Confident103 Ų10361.2 Ų61.239%0.38935%0.351SS..EExtended strand (participates in β ladder)trans-83.6126.4174.8-172.6169.4-69.6-178.94.4109.4E11 P46 M51E11-R44 IonicContact OE1-CZ 3.6Å; E11-R44 IonicContact OE1-NE 3.81Å; E11-R44 PolarHBondContact OE1-NE 3.05Å; E11-R44 IonicContact OE1-NH1 3.05Å; E11-R44 IonicContact OE1-NH2 2.64Å; E11-R44 PolarHBondContact OE1-NH2 3.49Å; E11-R44 IonicContact OE2-CZ 3.5Å; E11-R44 IonicContact OE2-NH2 3.14Å; E11-R44 PolarHBondContact OE2-NH2 3.5Å; R44-P46 WeakPolarHBondContact O-CD 3.3Å; R44-M51 HydrophobicContact CB-SD 3.93Å; R44-M51 HydrophobicContact CG-SD 4.44Å
45N82.6Confident83.9Confident15 Ų1564.7 Ų64.78%0.0836%0.359CS..  trans-70121.3173.6-179.86.1000109.6V47 S48 Q49 C50 R52N45-V47 PolarHBondContact O-N 2.89Å; N45-V47 PolarHBondContact OD1-N 2.81Å; N45-S48 WeakPolarHBondContact ND2-CB 3.24Å; N45-S48 PolarHBondContact ND2-N 3.35Å; N45-S48 PolarHBondContact ND2-OG 3.27Å; N45-Q49 VanDerWaalsContact O-CA 3.23Å; N45-Q49 WeakPolarHBondContact O-CA 3.4Å; N45-Q49 PolarHBondContact O-N 2.8Å; N45-C50 PolarHBondContact N-O 2.78Å; N45-R52 HydrophobicContact CB-CG 4.3Å; N45-R52 VanDerWaalsContact ND2-CZ 3.27Å; N45-R52 PolarHBondContact ND2-NE 3.18Å; N45-R52 PolarHBondContact ND2-NH2 2.78Å
46P76.4Confident84.1Confident81 Ų8167.2 Ų67.253%0.52637%0.373SS..THydrogen-bonded Turntrans-60.8-31.6-178.423.1-34.1000113.1R44 Q49 L71R44-P46 WeakPolarHBondContact O-CD 3.3Å; P46-Q49 PolarHBondContact O-NE2 2.71Å; P46-L71 HydrophobicContact CG-CD2 4.35Å
47V78.3Confident84.6Confident131 Ų13165.6 Ų65.679%0.79436%0.361SS*.THydrogen-bonded Turntrans-80.5-51.6-178.6179.70000111.9N45N45-V47 PolarHBondContact O-N 2.89Å; N45-V47 PolarHBondContact OD1-N 2.81Å
48S82.2Confident85Confident56 Ų5672.5 Ų72.539%0.39238%0.38SS..THydrogen-bonded Turntrans-95-6.5-172.1790000114.1N45 C50N45-S48 WeakPolarHBondContact ND2-CB 3.24Å; N45-S48 PolarHBondContact ND2-N 3.35Å; N45-S48 PolarHBondContact ND2-OG 3.27Å; S48-C50 PolarHBondContact O-N 3.42Å; S48-C50 PolarHBondContact O-SG 2.87Å; S48-C50 VanDerWaalsContact O-SG 3.41Å; S48-C50 PolarHBondContact OG-N 3.11Å
49Q80.3Confident85Confident114 Ų11473.6 Ų73.653%0.53339%0.392SS..  trans56.93.4-173.7-62.1-65.6-58.600115.5N45 P46N45-Q49 VanDerWaalsContact O-CA 3.23Å; N45-Q49 WeakPolarHBondContact O-CA 3.4Å; N45-Q49 PolarHBondContact O-N 2.8Å; P46-Q49 PolarHBondContact O-NE2 2.71Å
50C72.4Confident85.1Confident74 Ų7473.6 Ų73.650%0.539%0.387SS..  trans-78.1147.9175.9-59.10000111.4N45 S48N45-C50 PolarHBondContact N-O 2.78Å; S48-C50 PolarHBondContact O-N 3.42Å; S48-C50 PolarHBondContact O-SG 2.87Å; S48-C50 VanDerWaalsContact O-SG 3.41Å; S48-C50 PolarHBondContact OG-N 3.11Å
51M83.9Confident85.2Confident64 Ų6473.2 Ų73.232%0.31538%0.384SS..EExtended strand (participates in β ladder)trans-72.1127.7168.3-63.3-55.7-63.400110.4R42 Y43 R44R42-M51 HydrophobicContact CB-CE 4.09Å; R42-M51 HydrophobicContact CG-CE 3.57Å; Y43-M51 CarbonylContact O-C 3.57Å; Y43-M51 WeakPolarHBondContact O-CA 3.22Å; R44-M51 HydrophobicContact CB-SD 3.93Å; R44-M51 HydrophobicContact CG-SD 4.44Å
52R83.8Confident85.1Confident118 Ų11876.5 Ų76.545%0.44540%0.399SS..EExtended strand (participates in β ladder)trans-110.6136.1173.4-71.7-175.5174.6-171.5-1.8109.6R42 Y43 N45R42-R52 CarbonylContact C-O 3.56Å; R42-R52 WeakPolarHBondContact CA-O 3.3Å; R42-R52 VanDerWaalsContact CB-O 3.26Å; R42-R52 WeakPolarHBondContact CB-O 3.49Å; Y43-R52 HydrophobicContact CD1-CB 3.97Å; Y43-R52 WeakPolarHBondContact CD1-O 3.38Å; Y43-R52 HydrophobicContact CE1-CB 3.49Å; Y43-R52 VanDerWaalsContact CE1-CB 3.49Å; Y43-R52 HydrophobicContact CE2-CB 4.34Å; Y43-R52 PolarHBondContact N-O 3.5Å; Y43-R52 PolarHBondContact O-N 2.7Å; Y43-R52 WeakPolarHBondContact OH-CD 3.27Å; N45-R52 HydrophobicContact CB-CG 4.3Å; N45-R52 VanDerWaalsContact ND2-CZ 3.27Å; N45-R52 PolarHBondContact ND2-NE 3.18Å; N45-R52 PolarHBondContact ND2-NH2 2.78Å
53G85.8Confident84.8Confident60 Ų6074 Ų7462%0.61940%0.397SS*.EExtended strand (participates in β ladder)trans-76.4146.2171.500000111.1
54V90.2Very high84.6Confident15 Ų1574.5 Ų74.59%0.09140%0.402CS..PPolyproline II helixtrans-83.7136.9166.4-179.40000108.1L41 Y43 L56 L61 H62 W68 Y73L41-V54 HydrophobicContact CB-CB 3.96Å; L41-V54 HydrophobicContact CB-CG2 3.68Å; L41-V54 WeakPolarHBondContact O-CB 3.09Å; L41-V54 PolarHBondContact O-N 2.81Å; Y43-V54 HydrophobicContact CD1-CG2 4.1Å; V54-L56 PolarHBondContact O-N 3.09Å; V54-L61 HydrophobicContact CB-CD2 4.29Å; V54-L61 HydrophobicContact CG1-CB 4.08Å; V54-L61 HydrophobicContact CG1-CD2 3.9Å; V54-H62 WeakPolarHBondContact CG1-O 3.14Å; V54-W68 HydrophobicContact CG1-CH2 3.85Å; V54-W68 HydrophobicContact CG1-CZ3 4.13Å; V54-W68 HydrophobicContact CG2-CZ3 4.45Å; V54-Y73 HydrophobicContact CG2-CD1 3.6Å; V54-Y73 HydrophobicContact CG2-CE1 3.73Å
55R89.7Confident84.1Confident182 Ų18278.2 Ų78.269%0.68743%0.43SS*.EExtended strand (participates in β ladder)trans-68.7124.4179.2176.6178.6-70.9157.80.1109.2V57 L61 H62R55-V57 HydrophobicContact CG-CG2 4.1Å; R55-L61 WeakPolarHBondContact O-CA 3.37Å; R55-H62 HydrophobicContact CB-CB 4.36Å; R55-H62 PolarHBondContact O-N 2.81Å
56L89Confident83.8Confident69 Ų6982.2 Ų82.236%0.36147%0.465SS..EExtended strand (participates in β ladder)trans-115.1124.7176.1176.566.4000109.3L28 C39 V54 I60 L61L28-L56 HydrophobicContact CB-CD1 4.14Å; L28-L56 HydrophobicContact CD2-CD1 4.06Å; L28-L56 HydrophobicContact CD2-CD2 3.96Å; C39-L56 VanDerWaalsContact O-CD2 3.24Å; C39-L56 WeakPolarHBondContact O-CD2 3.48Å; V54-L56 PolarHBondContact O-N 3.09Å; L56-I60 WeakPolarHBondContact CA-O 3.35Å; L56-L61 HydrophobicContact CB-CD2 3.99Å; L56-L61 HydrophobicContact CD1-CD2 3.84Å; L56-L61 HydrophobicContact CD1-CG 3.99Å; L56-L61 HydrophobicContact CG-CD2 4.45Å
57V88.3Confident84.1Confident72 Ų7279.9 Ų79.944%0.43646%0.455SS..EExtended strand (participates in β ladder)trans-134.7120.8175.9-178.80000108.1R55 G59 I60R55-V57 HydrophobicContact CG-CG2 4.1Å; V57-G59 PolarHBondContact O-N 2.86Å; V57-I60 PolarHBondContact N-O 3.11Å; V57-I60 WeakPolarHBondContact O-CA 3.43Å; V57-I60 WeakPolarHBondContact O-CB 3.48Å; V57-I60 PolarHBondContact O-N 3.26Å
58E87.3Confident84.4Confident194 Ų19474.1 Ų74.191%0.90742%0.419SS*.THydrogen-bonded Turntrans51.134.1177.6-59.5-169.6142.700115.1
59G83.7Confident84.3Confident29 Ų2974.2 Ų74.230%0.29943%0.429SS..THydrogen-bonded Turntrans85.64.9-178.100000114.5L28 V57L28-G59 WeakPolarHBondContact CB-O 3.5Å; L28-G59 PolarHBondContact N-O 3.19Å; V57-G59 PolarHBondContact O-N 2.86Å
60I89.3Confident84.4Confident56 Ų5674.7 Ų74.729%0.28744%0.435SS..EExtended strand (participates in β ladder)trans-107.1122.9178.5-53.7176.8000109.3T25 L27 L56 V57T25-I60 HydrophobicContact CG2-CG2 3.82Å; L27-I60 HydrophobicContact CD2-CG1 4.09Å; L56-I60 WeakPolarHBondContact CA-O 3.35Å; V57-I60 PolarHBondContact N-O 3.11Å; V57-I60 WeakPolarHBondContact O-CA 3.43Å; V57-I60 WeakPolarHBondContact O-CB 3.48Å; V57-I60 PolarHBondContact O-N 3.26Å
61L90.9Very high85Confident0 Ų073.5 Ų73.50%042%0.424CS..EExtended strand (participates in β ladder)trans-91.4118.9175.5-65.8158.5000109.1T25 V26 L28 V31 L41 V54 R55 L56 W68T25-L61 WeakPolarHBondContact CA-O 3.45Å; V26-L61 HydrophobicContact CB-CB 4.33Å; V26-L61 HydrophobicContact CG1-CD1 4.47Å; V26-L61 PolarHBondContact N-O 2.77Å; V26-L61 WeakPolarHBondContact O-CA 3.34Å; V26-L61 VanDerWaalsContact O-CB 3.28Å; V26-L61 WeakPolarHBondContact O-CB 3.41Å; V26-L61 PolarHBondContact O-N 3.36Å; L28-L61 HydrophobicContact CD1-CD1 4.3Å; V31-L61 HydrophobicContact CG2-CD1 3.82Å; L41-L61 HydrophobicContact CD1-CD1 3.75Å; L41-L61 HydrophobicContact CG-CD1 3.88Å; V54-L61 HydrophobicContact CB-CD2 4.29Å; V54-L61 HydrophobicContact CG1-CB 4.08Å; V54-L61 HydrophobicContact CG1-CD2 3.9Å; R55-L61 WeakPolarHBondContact O-CA 3.37Å; L56-L61 HydrophobicContact CB-CD2 3.99Å; L56-L61 HydrophobicContact CD1-CD2 3.84Å; L56-L61 HydrophobicContact CD1-CG 3.99Å; L56-L61 HydrophobicContact CG-CD2 4.45Å; L61-W68 HydrophobicContact CB-CH2 4.06Å
62H89.4Confident85.1Confident69 Ų6973.6 Ų73.632%0.31943%0.428SS..EExtended strand (participates in β ladder)trans-92134179.2-67.9-87000111V54 R55V54-H62 WeakPolarHBondContact CG1-O 3.14Å; R55-H62 HydrophobicContact CB-CB 4.36Å; R55-H62 PolarHBondContact O-N 2.81Å
63A85.3Confident85.3Confident35 Ų3568 Ų6829%0.28941%0.406SS..PPolyproline II helixtrans-56.4145.817400000111.2W68A63-W68 HydrophobicContact CB-CD2 4.08Å; A63-W68 HydrophobicContact CB-CG 4.17Å; A63-W68 HydrophobicContact CB-CZ2 4.2Å
64P82.9Confident85.4Confident27 Ų2765.5 Ų65.518%0.17538%0.379CS..PPolyproline II helixtrans-58.1165.8167.3-2233000112.5Y43 A66 G67Y43-P64 HydrophobicContact CE1-CG 3.87Å; P64-A66 PolarHBondContact O-N 3.08Å; P64-G67 WeakPolarHBondContact O-CA 3.42Å; P64-G67 PolarHBondContact O-N 2.82Å
65D75.2Confident85.2Confident182 Ų18265 Ų6597%0.97338%0.376SS*.THydrogen-bonded Turntrans-56.4-20.1-178.1-57-37.3000114.4
66A75.2Confident85Confident99 Ų9958.5 Ų58.582%0.81836%0.355SS*.THydrogen-bonded Turntrans-98.18.8177.200000113.9P64P64-A66 PolarHBondContact O-N 3.08Å
67G83Confident84.8Confident31 Ų3158.7 Ų58.732%0.3235%0.351SS..  trans77.6-173.4-17000000113.1P64P64-G67 WeakPolarHBondContact O-CA 3.42Å; P64-G67 PolarHBondContact O-N 2.82Å
68W85.1Confident84.2Confident11 Ų1159.5 Ų59.54%0.04236%0.358CS..SBendtrans-73.1-38.5177.2-64.2107.3000112.5I5 G24 V26 V54 L61 A63 Y73I5-W68 HydrophobicContact CB-CD2 4.34Å; I5-W68 HydrophobicContact CB-CE3 4.25Å; I5-W68 HydrophobicContact CB-CG 4.46Å; I5-W68 HydrophobicContact CD1-CE3 4.09Å; I5-W68 HydrophobicContact CD1-CH2 4.29Å; I5-W68 HydrophobicContact CD1-CZ3 3.93Å; I5-W68 HydrophobicContact CG2-CB 3.61Å; I5-W68 HydrophobicContact CG2-CD2 3.43Å; I5-W68 VanDerWaalsContact CG2-CD2 3.43Å; I5-W68 HydrophobicContact CG2-CE3 3.82Å; I5-W68 HydrophobicContact CG2-CG 3.29Å; G24-W68 PolarHBondContact O-NE1 2.89Å; V26-W68 HydrophobicContact CB-CH2 4.27Å; V26-W68 HydrophobicContact CB-CZ2 3.92Å; V26-W68 HydrophobicContact CG2-CH2 4.15Å; V26-W68 HydrophobicContact CG2-CZ2 3.54Å; V54-W68 HydrophobicContact CG1-CH2 3.85Å; V54-W68 HydrophobicContact CG1-CZ3 4.13Å; V54-W68 HydrophobicContact CG2-CZ3 4.45Å; L61-W68 HydrophobicContact CB-CH2 4.06Å; A63-W68 HydrophobicContact CB-CD2 4.08Å; A63-W68 HydrophobicContact CB-CG 4.17Å; A63-W68 HydrophobicContact CB-CZ2 4.2Å; W68-Y73 WeakPolarHBondContact CA-OH 3.26Å; W68-Y73 HydrophobicContact CE3-CD1 4.33Å; W68-Y73 HydrophobicContact CE3-CD2 4.25Å; W68-Y73 AromaticContact CE3-CE1 3.76Å; W68-Y73 HydrophobicContact CE3-CE1 3.76Å; W68-Y73 AromaticContact CE3-CE2 3.67Å; W68-Y73 HydrophobicContact CE3-CE2 3.67Å; W68-Y73 AromaticContact CE3-CZ 3.4Å; W68-Y73 HydrophobicContact CZ3-CD1 4.05Å; W68-Y73 AromaticContact CZ3-CE1 3.74Å; W68-Y73 HydrophobicContact CZ3-CE1 3.74Å; W68-Y73 HydrophobicContact CZ3-CE2 4.33Å; W68-Y73 HydrophobicContact CZ3-CG 4.47Å; W68-Y73 AromaticContact CZ3-CZ 3.91Å; W68-Y73 PolarHBondContact O-OH 3.4Å
69G80.3Confident83Confident57 Ų5759.5 Ų59.559%0.58836%0.355SS*.THydrogen-bonded Turntrans55.7-159.2176.700000113.8L71G69-L71 PolarHBondContact O-N 2.69Å
70N82.7Confident81.3Confident125 Ų12565.2 Ų65.267%0.66838%0.379SS*.THydrogen-bonded Turntrans-9443177.3-166.417.5000111.6R6R6-N70 PolarHBondContact NH1-OD1 3.03Å
71L83.9Confident79Confident49 Ų4970.6 Ų70.626%0.25741%0.409SS..PPolyproline II helixtrans-96.7149.5178.4-64.7173.1000110.2Y43 P46 G69 Y73Y43-L71 HydrophobicContact CD2-CD1 3.8Å; Y43-L71 HydrophobicContact CE2-CD1 3.88Å; P46-L71 HydrophobicContact CG-CD2 4.35Å; G69-L71 PolarHBondContact O-N 2.69Å; L71-Y73 HydrophobicContact CB-CE2 3.82Å; L71-Y73 WeakPolarHBondContact O-CD2 3.22Å
72V85.8Confident76.5Confident66 Ų6679.3 Ų79.340%0.445%0.446SS..EExtended strand (participates in β ladder)trans-98126.6172.3-176.80000108.7R6 T8 P15R6-V72 HydrophobicContact CB-CG2 4.44Å; T8-V72 HydrophobicContact CG2-CG1 3.62Å; P15-V72 HydrophobicContact CB-CG1 4.27Å
73Y88.4Confident74Confident0 Ų087.8 Ų87.80%048%0.476CS..EExtended strand (participates in β ladder)trans-103.2128.3-179-65.8-93.8000109.4R6 V7 T8 R42 Y43 V54 W68 L71R6-Y73 PolarHBondContact O-N 2.8Å; V7-Y73 CarbonylContact C-O 3.56Å; V7-Y73 VanDerWaalsContact CA-O 3.24Å; V7-Y73 WeakPolarHBondContact CA-O 3.37Å; T8-Y73 PolarHBondContact N-O 3.24Å; R42-Y73 CarbonylContact O-C 3.54Å; R42-Y73 WeakPolarHBondContact O-CA 3.02Å; Y43-Y73 HydrophobicContact CD1-CD1 4.17Å; Y43-Y73 AromaticContact CD1-CE1 3.74Å; Y43-Y73 HydrophobicContact CD1-CE1 3.74Å; Y43-Y73 HydrophobicContact CE1-CE1 4.5Å; Y43-Y73 HydrophobicContact CG-CD1 4.17Å; Y43-Y73 AromaticContact CG-CE1 3.82Å; Y43-Y73 HydrophobicContact CG-CE1 3.82Å; V54-Y73 HydrophobicContact CG2-CD1 3.6Å; V54-Y73 HydrophobicContact CG2-CE1 3.73Å; W68-Y73 WeakPolarHBondContact CA-OH 3.26Å; W68-Y73 HydrophobicContact CE3-CD1 4.33Å; W68-Y73 HydrophobicContact CE3-CD2 4.25Å; W68-Y73 AromaticContact CE3-CE1 3.76Å; W68-Y73 HydrophobicContact CE3-CE1 3.76Å; W68-Y73 AromaticContact CE3-CE2 3.67Å; W68-Y73 HydrophobicContact CE3-CE2 3.67Å; W68-Y73 AromaticContact CE3-CZ 3.4Å; W68-Y73 HydrophobicContact CZ3-CD1 4.05Å; W68-Y73 AromaticContact CZ3-CE1 3.74Å; W68-Y73 HydrophobicContact CZ3-CE1 3.74Å; W68-Y73 HydrophobicContact CZ3-CE2 4.33Å; W68-Y73 HydrophobicContact CZ3-CG 4.47Å; W68-Y73 AromaticContact CZ3-CZ 3.91Å; W68-Y73 PolarHBondContact O-OH 3.4Å; L71-Y73 HydrophobicContact CB-CE2 3.82Å; L71-Y73 WeakPolarHBondContact O-CD2 3.22Å
74V87.6Confident71.8Confident7 Ų795.7 Ų95.74%0.04250%0.503CS..EExtended strand (participates in β ladder)trans-97132.4178-174.20000109.2T8 E9 E11 R42T8-V74 HydrophobicContact CG2-CG2 3.99Å; T8-V74 CarbonylContact O-C 3.35Å; T8-V74 VanDerWaalsContact O-CA 3.3Å; T8-V74 WeakPolarHBondContact O-CA 3.4Å; E9-V74 WeakPolarHBondContact O-CG1 3.34Å; E11-V74 HydrophobicContact CG-CG2 4.23Å; R42-V74 HydrophobicContact CG-CB 4.18Å; R42-V74 WeakPolarHBondContact CG-O 3.11Å; R42-V74 PolarHBondContact N-O 2.84Å; R42-V74 PolarHBondContact O-N 2.78Å
75V87Confident69.6Low5 Ų5103.8 Ų103.83%0.0354%0.541CS..EExtended strand (participates in β ladder)trans-65.4137.6177-179.80000110.8V7 T8 V31 F35 A38 L41 Y77V7-V75 HydrophobicContact CG1-CG2 3.49Å; V7-V75 VanDerWaalsContact CG1-CG2 3.49Å; T8-V75 WeakPolarHBondContact O-CG2 3.46Å; T8-V75 PolarHBondContact O-N 2.82Å; V31-V75 HydrophobicContact CG1-CG2 4.42Å; F35-V75 HydrophobicContact CB-CG1 4.36Å; F35-V75 HydrophobicContact CB-CG2 4.01Å; F35-V75 HydrophobicContact CD1-CG2 4.03Å; F35-V75 HydrophobicContact CD2-CG2 3.91Å; F35-V75 HydrophobicContact CE1-CG2 4.48Å; F35-V75 HydrophobicContact CE2-CG2 4.37Å; F35-V75 HydrophobicContact CG-CG2 3.71Å; A38-V75 HydrophobicContact CB-CG1 3.35Å; L41-V75 HydrophobicContact CD2-CB 4.41Å; L41-V75 HydrophobicContact CD2-CG2 3.9Å; V75-Y77 HydrophobicContact CB-CE2 4.19Å; V75-Y77 HydrophobicContact CG1-CD1 4.38Å; V75-Y77 HydrophobicContact CG1-CD2 4.29Å; V75-Y77 HydrophobicContact CG1-CE1 3.9Å; V75-Y77 HydrophobicContact CG1-CE2 3.83Å
76N84.2Confident68Low46 Ų46102.7 Ų102.725%0.24654%0.535CS..EExtended strand (participates in β ladder)trans-99.1127.7167.2-70.9-37.2000109.1C39 G40 L41 R42C39-N76 PolarHBondContact N-O 3.13Å; C39-N76 PolarHBondContact SG-O 3.22Å; G40-N76 PolarHBondContact N-O 3.36Å; G40-N76 PolarHBondContact O-N 3.47Å; L41-N76 PolarHBondContact O-ND2 3.21Å; R42-N76 WeakPolarHBondContact CD-OD1 3.47Å; R42-N76 VanDerWaalsContact CG-OD1 3.22Å; R42-N76 WeakPolarHBondContact CG-OD1 3.49Å; R42-N76 PolarHBondContact NE-OD1 2.86Å; R42-N76 VanDerWaalsContact NE-OD1 3.11Å
77Y84.5Confident66.8Low72 Ų72105.5 Ų105.528%0.28253%0.531SS..PPolyproline II helixtrans-101.2149.3167.3-63.3-75000109.7E9 G37 A38 C39 V75 K79E9-Y77 HydrophobicContact CG-CE2 4.05Å; E9-Y77 VanDerWaalsContact OE1-CE2 3.22Å; E9-Y77 WeakPolarHBondContact OE1-CE2 3.43Å; E9-Y77 PolarHBondContact OE1-OH 3.5Å; G37-Y77 WeakPolarHBondContact O-CD1 3.48Å; A38-Y77 HydrophobicContact CB-CE1 4.45Å; C39-Y77 VanDerWaalsContact SG-C 3.54Å; V75-Y77 HydrophobicContact CB-CE2 4.19Å; V75-Y77 HydrophobicContact CG1-CD1 4.38Å; V75-Y77 HydrophobicContact CG1-CD2 4.29Å; V75-Y77 HydrophobicContact CG1-CE1 3.9Å; V75-Y77 HydrophobicContact CG1-CE2 3.83Å; Y77-K79 PolarHBondContact O-N 3.07Å
78P76.6Confident64.7Low90 Ų90111.1 Ų111.158%0.58456%0.56SS**  trans-57.7113.6171.823.4-30.2000107.8G37 C39 D80G37-P78 VanDerWaalsContact O-CD 3.3Å; G37-P78 WeakPolarHBondContact O-CD 3.42Å; C39-P78 VanDerWaalsContact SG-N 3.41Å; P78-D80 PolarHBondContact O-N 3.39Å
79K62.7Low62.5Low194 Ų194117.1 Ų117.184%0.84359%0.593SS**  trans-71.796.9173.8-76.5-177.7178.7176.20107.5Y77 N81Y77-K79 PolarHBondContact O-N 3.07Å; K79-N81 PolarHBondContact O-N 3.01Å
80D48.3Very low60.6Low149 Ų149118.3 Ų118.380%0.79760%0.597SS**  trans-50.4128.8153.7-113.5-77.7000107.1P78 K82P78-D80 PolarHBondContact O-N 3.39Å; D80-K82 WeakPolarHBondContact O-CB 3.23Å; D80-K82 PolarHBondContact O-N 2.68Å
81N39.2Very low58.5Low169 Ų169117.8 Ų117.890%0.90460%0.603SS**  trans-64.377.5-167.3-144.143.3000110.9K79K79-N81 PolarHBondContact O-N 3.01Å
82K38.3Very low56.6Low183 Ų183120.2 Ų120.280%0.79662%0.624SS**  trans-101.1104.4-175-155.7174.4-176.2-179.70107.1D80 K84D80-K82 WeakPolarHBondContact O-CB 3.23Å; D80-K82 PolarHBondContact O-N 2.68Å; K82-K84 PolarHBondContact O-N 3.47Å
83R38Very low54.4Low247 Ų247121.6 Ų121.693%0.93264%0.642SS**  trans-50.3124.3171.7-62.8177.2-158.6160.15.5108.6
84K39.5Very low51.8Low201 Ų201128.4 Ų128.487%0.87468%0.684SS**  trans-58.3132.8174.5-74.8177.8169.8-174.30110.8K82K82-K84 PolarHBondContact O-N 3.47Å
85M36.5Very low49.5Very low196 Ų196137.9 Ų137.997%0.96672%0.724SS**  trans-149.4144.1134.7-119.2166.68400109.2
86D40.8Very low46.8Very low159 Ų159142.8 Ų142.885%0.8575%0.754SS**  trans-63.6159.7-151.3-142.9-133.7000118
87E49.9Very low44.5Very low158 Ų158150.9 Ų150.974%0.73879%0.787SS**  trans-55.3148.6175.2-73.6178.267.900115
88T38.9Very low42.1Very low150 Ų150155 Ų15592%0.9280%0.802SS**  trans-144.6127.7130-56.90000108.3
89D40.3Very low40.1Very low137 Ų137154.9 Ų154.973%0.73381%0.809SS**  trans-67.2152.4-171.6-175.9-113.1000115.3
90A38.8Very low39Very low81 Ų81152.2 Ų152.267%0.66981%0.809SS**  trans14492.8138.500000114
91S39.6Very low38.8Very low114 Ų114148.3 Ų148.380%0.79779%0.786SS**  29.5136.7129-131.20000119.4
92S43.7Very low39.5Very low100 Ų100148.5 Ų148.570%0.69978%0.779SS**  cis-162.7138.327.6-47.10000111.6
93A39.8Very low40.6Very low95 Ų95141 Ų14179%0.78575%0.748SS**  trans44.3104.4140.300000121.2
94V33.7Very low42.4Very low143 Ų143131 Ų13187%0.86772%0.716SS**  -142.7124115.3-1730000109.6V96V94-V96 PolarHBondContact O-N 3.44Å
95K38.2Very low44.3Very low206 Ų206123.6 Ų123.690%0.89669%0.686SS**  trans-65.3117.6172-74.6171.5175.4174.60110.7
96V32.3Very low46.6Very low109 Ų109114.3 Ų114.366%0.66164%0.64SS**  trans-138.8116.2139-177.10000107.5V94 R98V94-V96 PolarHBondContact O-N 3.44Å; V96-R98 HydrophobicContact CG1-CG 4.15Å; V96-R98 PolarHBondContact O-N 2.93Å
97K35.7Very low48.7Very low215 Ų215108 Ų10894%0.93561%0.606SS**  trans-65.785.6168.5-68.5-178.9176.9-177.50108.5
98R32.5Very low50.5Low158 Ų158100.6 Ų100.660%0.59657%0.571SS**  trans-101.1133154.9-78.5173.9173.3161.7-18.2106.1V96 V100 E156V96-R98 HydrophobicContact CG1-CG 4.15Å; V96-R98 PolarHBondContact O-N 2.93Å; R98-V100 PolarHBondContact O-N 3.21Å; R98-V100 VanDerWaalsContact O-N 3.09Å; R98-E156 IonicContact CZ-OE1 3.68Å; R98-E156 IonicContact CZ-OE2 3.35Å; R98-E156 IonicContact NE-OE1 2.84Å; R98-E156 PolarHBondContact NE-OE1 2.99Å; R98-E156 IonicContact NH1-OE1 3.74Å; R98-E156 PolarHBondContact NH1-OE1 2.85Å; R98-E156 IonicContact NH1-OE2 3.11Å; R98-E156 PolarHBondContact NH1-OE2 3.31Å; R98-E156 IonicContact NH2-OE1 3.99Å; R98-E156 PolarHBondContact NH2-OE1 3.32Å; R98-E156 VanDerWaalsContact NH2-OE1 3.11Å
99A35.8Very low52.6Low89 Ų8996.7 Ų96.774%0.73655%0.545SS*.  trans-43124.1168.700000107.7Q101A99-Q101 PolarHBondContact O-N 2.84Å
100V38.3Very low54.6Low137 Ų13791.4 Ų91.483%0.8352%0.523SS*.  trans-69.581.9177-179.80000106.5R98 K102R98-V100 PolarHBondContact O-N 3.21Å; R98-V100 VanDerWaalsContact O-N 3.09Å; V100-K102 PolarHBondContact O-N 2.88Å
101Q46.1Very low56.9Low67 Ų6787.7 Ų87.731%0.31349%0.491SS..  trans-58.8110.9164.9-81.5176.3-36.600105.4A99 T103 Y155 E216A99-Q101 PolarHBondContact O-N 2.84Å; Q101-T103 PolarHBondContact O-N 3.29Å; Q101-T103 VanDerWaalsContact O-N 3.16Å; Q101-Y155 HydrophobicContact CB-CD1 4.12Å; Q101-Y155 HydrophobicContact CB-CD2 3.66Å; Q101-Y155 HydrophobicContact CB-CE2 4.12Å; Q101-Y155 HydrophobicContact CB-CG 3.64Å; Q101-E216 VanDerWaalsContact NE2-CD 3.32Å; Q101-E216 PolarHBondContact NE2-OE1 2.73Å; Q101-E216 VanDerWaalsContact NE2-OE1 3.09Å; Q101-E216 PolarHBondContact NE2-OE2 2.63Å
102K53.9Low59Low174 Ų17482.8 Ų82.876%0.75746%0.457SS*.PPolyproline II helixtrans-59.6121.6178.1-72.3179.4-179.41740108.4V100 S104V100-K102 PolarHBondContact O-N 2.88Å; K102-S104 PolarHBondContact O-N 3.39Å
103T60.8Low61Low25 Ų2587.4 Ų87.415%0.15346%0.459CS..PPolyproline II helixtrans-62.8130.3173.351.60000110Q101 F152 T153Q101-T103 PolarHBondContact O-N 3.29Å; Q101-T103 VanDerWaalsContact O-N 3.16Å; T103-F152 VanDerWaalsContact CB-O 3.26Å; T103-F152 WeakPolarHBondContact CB-O 3.43Å; T103-F152 WeakPolarHBondContact CG2-O 3.41Å; T103-F152 PolarHBondContact OG1-O 3.43Å; T103-T153 WeakPolarHBondContact CG2-O 3.19Å
104S75Confident63.1Low37 Ų3790.1 Ų90.126%0.25945%0.453SS..PPolyproline II helixtrans-93.2155175.6-65.50000110.6K102 L106 Q158K102-S104 PolarHBondContact O-N 3.39Å; S104-L106 PolarHBondContact O-N 2.89Å; S104-Q158 PolarHBondContact O-OE1 2.77Å
105D80.6Confident65.5Low46 Ų4683.5 Ų83.525%0.24641%0.413CS..PPolyproline II helixtrans-64.5120.1169.9-60.4-24.5000108.4M132 F149 R151 P178D105-M132 HydrophobicContact CB-CE 4.13Å; D105-M132 WeakPolarHBondContact OD1-CE 3.43Å; D105-M132 WeakPolarHBondContact OD2-CE 3.42Å; D105-F149 HydrophobicContact CB-CD1 4.33Å; D105-R151 VanDerWaalsContact CG-NH2 3.26Å; D105-R151 IonicContact OD1-CZ 3.76Å; D105-R151 IonicContact OD1-NE 3.58Å; D105-R151 PolarHBondContact OD1-NE 3.4Å; D105-R151 IonicContact OD1-NH2 3.25Å; D105-R151 PolarHBondContact OD1-NH2 3.45Å; D105-R151 IonicContact OD2-NH2 3.53Å; D105-R151 PolarHBondContact OD2-NH2 3.16Å; D105-R151 VanDerWaalsContact OD2-NH2 3.07Å; D105-P178 WeakPolarHBondContact O-CD 3.48Å; D105-P178 WeakPolarHBondContact O-CG 3.45Å
106L83.4Confident67.9Low0 Ų076.4 Ų76.40%039%0.387CS..EExtended strand (participates in β ladder)trans-84.5137.3170.3-61.5-174.7000109.4S104 F149 V150 F152 Q158 V161 M162 C175 K176 L177S104-L106 PolarHBondContact O-N 2.89Å; L106-F149 CarbonylContact O-C 3.59Å; L106-F149 WeakPolarHBondContact O-CA 3.46Å; L106-V150 HydrophobicContact CB-CG1 3.85Å; L106-V150 PolarHBondContact N-O 2.83Å; L106-V150 PolarHBondContact O-N 3.47Å; L106-F152 HydrophobicContact CD1-CD2 4.38Å; L106-F152 HydrophobicContact CD1-CE2 4.17Å; L106-Q158 HydrophobicContact CD1-CG 3.63Å; L106-Q158 HydrophobicContact CD2-CG 3.59Å; L106-Q158 HydrophobicContact CG-CG 3.69Å; L106-V161 HydrophobicContact CD1-CB 4.31Å; L106-V161 HydrophobicContact CD1-CG1 3.81Å; L106-M162 HydrophobicContact CD1-CG 3.83Å; L106-M162 HydrophobicContact CD2-CG 3.62Å; L106-M162 HydrophobicContact CD2-SD 3.42Å; L106-M162 WeakPolarHBondContact CD2-SD 3.38Å; L106-M162 HydrophobicContact CG-CG 4.38Å; L106-C175 HydrophobicContact CD1-CB 4.47Å; L106-K176 CarbonylContact C-O 3.58Å; L106-K176 WeakPolarHBondContact CA-O 3.5Å; L106-L177 HydrophobicContact CD2-CD2 3.94Å; L106-L177 HydrophobicContact CD2-CG 4.34Å
107I85.6Confident70.5Confident28 Ų2875 Ų7514%0.14437%0.373CS..EExtended strand (participates in β ladder)trans-86.8128165.6-168.8168.6000109.4L109 F147 G148 F149 C175 K176 P178I107-L109 HydrophobicContact CD1-CD2 3.76Å; I107-L109 HydrophobicContact CG1-CD2 3.9Å; I107-L109 HydrophobicContact CG1-CG 4.28Å; I107-L109 HydrophobicContact CG2-CG 4.46Å; I107-F147 HydrophobicContact CD1-CD2 3.81Å; I107-F147 HydrophobicContact CD1-CE2 4.28Å; I107-F147 HydrophobicContact CG1-CD2 4.09Å; I107-G148 CarbonylContact C-O 3.36Å; I107-G148 WeakPolarHBondContact CA-O 3.48Å; I107-F149 HydrophobicContact CB-CD1 4.23Å; I107-F149 HydrophobicContact CB-CE1 3.97Å; I107-F149 HydrophobicContact CD1-CE1 4.25Å; I107-F149 HydrophobicContact CD1-CZ 4.18Å; I107-F149 HydrophobicContact CG1-CE1 4.12Å; I107-F149 HydrophobicContact CG1-CZ 4.36Å; I107-C175 CarbonylContact O-C 3.58Å; I107-C175 WeakPolarHBondContact O-CA 3.47Å; I107-K176 HydrophobicContact CG2-CB 4.18Å; I107-K176 VanDerWaalsContact CG2-O 3.31Å; I107-K176 WeakPolarHBondContact CG2-O 3.21Å; I107-K176 PolarHBondContact N-O 3.47Å; I107-K176 PolarHBondContact O-N 3.15Å; I107-P178 HydrophobicContact CB-CB 4.12Å; I107-P178 HydrophobicContact CG2-CB 4.17Å
108V86.8Confident72.9Confident1 Ų169.6 Ų69.61%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-101.8112.8174.5-169.20000107.7L111 L120 F124 F147 G148 V150 I168 C173V108-L111 HydrophobicContact CB-CD1 4.3Å; V108-L111 HydrophobicContact CB-CG 4.43Å; V108-L111 HydrophobicContact CG1-CD1 4.34Å; V108-L111 HydrophobicContact CG1-CD2 3.72Å; V108-L111 HydrophobicContact CG1-CG 4Å; V108-L120 HydrophobicContact CG1-CD2 4.49Å; V108-F124 HydrophobicContact CG1-CE2 4.32Å; V108-F124 HydrophobicContact CG1-CZ 4.16Å; V108-F124 HydrophobicContact CG2-CE2 3.79Å; V108-F124 HydrophobicContact CG2-CZ 3.88Å; V108-F147 CarbonylContact O-C 3.45Å; V108-F147 WeakPolarHBondContact O-CA 3.32Å; V108-F147 VanDerWaalsContact O-CB 3.3Å; V108-F147 WeakPolarHBondContact O-CB 3.31Å; V108-G148 PolarHBondContact N-O 3.42Å; V108-G148 PolarHBondContact O-N 2.9Å; V108-V150 HydrophobicContact CG2-CB 4.38Å; V108-V150 HydrophobicContact CG2-CG1 3.67Å; V108-I168 HydrophobicContact CG1-CD1 4.4Å; V108-C173 HydrophobicContact CG1-CB 4.15Å
109L83.5Confident75.5Confident69 Ų6965 Ų6536%0.36134%0.339SS..EExtended strand (participates in β ladder)trans-102.4145.2-176-63.9173000110.8I107 F147 C173 D174I107-L109 HydrophobicContact CD1-CD2 3.76Å; I107-L109 HydrophobicContact CG1-CD2 3.9Å; I107-L109 HydrophobicContact CG1-CG 4.28Å; I107-L109 HydrophobicContact CG2-CG 4.46Å; L109-F147 HydrophobicContact CD2-CB 4.02Å; L109-C173 VanDerWaalsContact O-CA 3.27Å; L109-C173 WeakPolarHBondContact O-CA 3.47Å; L109-C173 WeakPolarHBondContact O-CB 3.21Å; L109-D174 PolarHBondContact N-O 3.25Å; L109-D174 PolarHBondContact O-N 2.95Å
110G81.9Confident78.1Confident26 Ų2660.8 Ų60.827%0.26830%0.304SS..SBendtrans86.42017500000114G146 R171 C173G110-G146 PolarHBondContact N-O 3.47Å; G110-G146 VanDerWaalsContact N-O 3.11Å; G110-R171 WeakPolarHBondContact O-CD 3.35Å; G110-R171 WeakPolarHBondContact O-CG 3.24Å; G110-R171 PolarHBondContact O-NE 3.34Å; G110-C173 PolarHBondContact O-SG 3.29Å; G110-C173 VanDerWaalsContact O-SG 3.41Å
111L87.4Confident80.5Confident2 Ų258.7 Ų58.71%0.0128%0.284CS..  trans-64.1139.4178.8-68173.7000111.9V108 T115 L120 G146 I168 C173V108-L111 HydrophobicContact CB-CD1 4.3Å; V108-L111 HydrophobicContact CB-CG 4.43Å; V108-L111 HydrophobicContact CG1-CD1 4.34Å; V108-L111 HydrophobicContact CG1-CD2 3.72Å; V108-L111 HydrophobicContact CG1-CG 4Å; L111-T115 HydrophobicContact CD2-CG2 4.5Å; L111-L120 HydrophobicContact CD1-CD1 3.8Å; L111-L120 HydrophobicContact CD1-CD2 4.04Å; L111-L120 HydrophobicContact CD1-CG 4.42Å; L111-L120 HydrophobicContact CD2-CD2 3.68Å; L111-L120 HydrophobicContact CD2-CG 4.47Å; L111-G146 PolarHBondContact N-O 3.48Å; L111-G146 VanDerWaalsContact O-CA 3.29Å; L111-G146 WeakPolarHBondContact O-CA 3.13Å; L111-I168 HydrophobicContact CD2-CD1 3.85Å; L111-I168 HydrophobicContact CD2-CG2 4.46Å; L111-C173 HydrophobicContact CD2-CB 4.47Å
112P83.8Confident82.4Confident12 Ų1259.6 Ų59.68%0.07829%0.291CS..  trans-55.5143.2165.8-14.422.6000111.2K114 T115 I168 D169 R171P112-K114 HydrophobicContact CB-CG 4.07Å; P112-K114 PolarHBondContact O-N 2.88Å; P112-T115 VanDerWaalsContact CB-OG1 3.28Å; P112-T115 WeakPolarHBondContact CB-OG1 3.35Å; P112-T115 VanDerWaalsContact CD-OG1 3.26Å; P112-T115 WeakPolarHBondContact CD-OG1 3.36Å; P112-T115 WeakPolarHBondContact CG-OG1 3.41Å; P112-T115 WeakPolarHBondContact O-CB 3.37Å; P112-T115 PolarHBondContact O-N 2.85Å; P112-T115 VanDerWaalsContact O-N 3.14Å; P112-T115 PolarHBondContact O-OG1 3.49Å; P112-I168 WeakPolarHBondContact CG-O 3.49Å; P112-D169 HydrophobicContact CG-CB 3.98Å; P112-R171 HydrophobicContact CG-CB 3.81Å
113W85.2Confident84.1Confident196 Ų19654.1 Ų54.174%0.74227%0.266SS*.THydrogen-bonded Turntrans-66.9-20.5-178.4-63-34.2000114.1S144W113-S144 WeakPolarHBondContact O-CB 3.32Å
114K84.6Confident85.4Confident153 Ų15353 Ų5367%0.66526%0.258SS*.THydrogen-bonded Turntrans-81.5-18.7176.662.4173.5-177.8171.80113.7P112 T116P112-K114 HydrophobicContact CB-CG 4.07Å; P112-K114 PolarHBondContact O-N 2.88Å; K114-T116 PolarHBondContact O-N 3.15Å
115T84.3Confident86Confident4 Ų453.9 Ų53.93%0.02527%0.265CS..  trans-67.5129.8-174-55.10000110.6L111 P112 D119 L120 I168 D169L111-T115 HydrophobicContact CD2-CG2 4.5Å; P112-T115 VanDerWaalsContact CB-OG1 3.28Å; P112-T115 WeakPolarHBondContact CB-OG1 3.35Å; P112-T115 VanDerWaalsContact CD-OG1 3.26Å; P112-T115 WeakPolarHBondContact CD-OG1 3.36Å; P112-T115 WeakPolarHBondContact CG-OG1 3.41Å; P112-T115 WeakPolarHBondContact O-CB 3.37Å; P112-T115 PolarHBondContact O-N 2.85Å; P112-T115 VanDerWaalsContact O-N 3.14Å; P112-T115 PolarHBondContact O-OG1 3.49Å; T115-D119 HydrophobicContact CG2-CB 3.98Å; T115-L120 HydrophobicContact CG2-CG 4Å; T115-I168 HydrophobicContact CG2-CG2 3.87Å; T115-D169 PolarHBondContact OG1-OD2 2.93Å
116T87.8Confident86.3Confident57 Ų5756.7 Ų56.735%0.3528%0.284SS..  trans-97170.1-179.9720000112.2K114 Q118 D119 L120K114-T116 PolarHBondContact O-N 3.15Å; T116-Q118 PolarHBondContact O-N 3.47Å; T116-Q118 PolarHBondContact OG1-N 3.32Å; T116-D119 VanDerWaalsContact CB-OD2 3.3Å; T116-D119 WeakPolarHBondContact CB-OD2 3.43Å; T116-D119 PolarHBondContact N-OD2 3.19Å; T116-D119 PolarHBondContact O-N 3.01Å; T116-D119 VanDerWaalsContact OG1-CG 3.24Å; T116-D119 PolarHBondContact OG1-N 3.37Å; T116-D119 PolarHBondContact OG1-OD2 3.49Å; T116-L120 PolarHBondContact O-N 3.34Å
117E87.6Confident86.1Confident78 Ų7858.9 Ų58.936%0.36429%0.294SS..Hα-helixtrans-63.1-32.5173.5-71.4165.6136.700111.7K121 V133 Q134 V135E117-K121 WeakPolarHBondContact O-CB 3.41Å; E117-K121 PolarHBondContact O-N 3.09Å; E117-V133 HydrophobicContact CB-CG1 4.24Å; E117-V133 HydrophobicContact CG-CG1 4.44Å; E117-V133 WeakPolarHBondContact O-CG1 3.25Å; E117-Q134 VanDerWaalsContact OE1-CA 3.29Å; E117-Q134 WeakPolarHBondContact OE1-CA 3.26Å; E117-V135 HydrophobicContact CB-CG2 4.45Å; E117-V135 HydrophobicContact CG-CB 3.77Å; E117-V135 HydrophobicContact CG-CG2 3.57Å; E117-V135 VanDerWaalsContact CG-N 3.33Å; E117-V135 PolarHBondContact OE1-N 2.94Å
118Q86.3Confident85.9Confident102 Ų10258.4 Ų58.448%0.47730%0.296SS..Hα-helixtrans-69.2-46.4177-170.360.245.500111T116 L120 K121 D122T116-Q118 PolarHBondContact O-N 3.47Å; T116-Q118 PolarHBondContact OG1-N 3.32Å; Q118-L120 VanDerWaalsContact C-N 3.27Å; Q118-L120 PolarHBondContact O-N 2.78Å; Q118-K121 WeakPolarHBondContact O-CA 3.23Å; Q118-K121 WeakPolarHBondContact O-CB 3.46Å; Q118-K121 PolarHBondContact O-N 3.36Å; Q118-D122 PolarHBondContact NE2-OD1 2.96Å; Q118-D122 PolarHBondContact NE2-OD2 2.97Å; Q118-D122 VanDerWaalsContact O-CG 3.27Å; Q118-D122 PolarHBondContact O-N 2.69Å
119D87.6Confident85.6Confident61 Ų6164.8 Ų64.833%0.32633%0.325SS..Hα-helixtrans-58.3-41.6177.9-58.5-54.9000111.7T115 T116 Y123T115-D119 HydrophobicContact CG2-CB 3.98Å; T116-D119 VanDerWaalsContact CB-OD2 3.3Å; T116-D119 WeakPolarHBondContact CB-OD2 3.43Å; T116-D119 PolarHBondContact N-OD2 3.19Å; T116-D119 PolarHBondContact O-N 3.01Å; T116-D119 VanDerWaalsContact OG1-CG 3.24Å; T116-D119 PolarHBondContact OG1-N 3.37Å; T116-D119 PolarHBondContact OG1-OD2 3.49Å; D119-Y123 VanDerWaalsContact O-CB 3.3Å; D119-Y123 WeakPolarHBondContact O-CB 3.34Å; D119-Y123 PolarHBondContact O-N 2.76Å
120L89Confident85.7Confident1 Ų162.1 Ų62.11%0.00531%0.312CS..Hα-helixtrans-63.7-44.2174.2-83.2163.5000112V108 L111 T115 T116 Q118 F124 V133 V135 I168V108-L120 HydrophobicContact CG1-CD2 4.49Å; L111-L120 HydrophobicContact CD1-CD1 3.8Å; L111-L120 HydrophobicContact CD1-CD2 4.04Å; L111-L120 HydrophobicContact CD1-CG 4.42Å; L111-L120 HydrophobicContact CD2-CD2 3.68Å; L111-L120 HydrophobicContact CD2-CG 4.47Å; T115-L120 HydrophobicContact CG2-CG 4Å; T116-L120 PolarHBondContact O-N 3.34Å; Q118-L120 VanDerWaalsContact C-N 3.27Å; Q118-L120 PolarHBondContact O-N 2.78Å; L120-F124 HydrophobicContact CB-CD2 4.48Å; L120-F124 HydrophobicContact CD2-CD2 4.01Å; L120-F124 HydrophobicContact CD2-CE2 3.52Å; L120-F124 WeakPolarHBondContact O-CB 3.42Å; L120-F124 WeakPolarHBondContact O-CD2 3.38Å; L120-F124 PolarHBondContact O-N 3.49Å; L120-V133 HydrophobicContact CB-CG1 3.53Å; L120-V133 HydrophobicContact CD1-CG1 3.84Å; L120-V133 HydrophobicContact CG-CG1 4.34Å; L120-V135 HydrophobicContact CD1-CG2 3.23Å; L120-I168 HydrophobicContact CD2-CD1 4.04Å
121K88.5Confident85.5Confident94 Ų9465.6 Ų65.641%0.40932%0.324SS..Hα-helixtrans-61.8-48.3178.1-172.6179.3179-177.10110.4E117 Q118 Y123 F124 S125 V133E117-K121 WeakPolarHBondContact O-CB 3.41Å; E117-K121 PolarHBondContact O-N 3.09Å; Q118-K121 WeakPolarHBondContact O-CA 3.23Å; Q118-K121 WeakPolarHBondContact O-CB 3.46Å; Q118-K121 PolarHBondContact O-N 3.36Å; K121-Y123 PolarHBondContact O-N 2.91Å; K121-F124 PolarHBondContact O-N 3.41Å; K121-S125 WeakPolarHBondContact O-CB 3.36Å; K121-S125 PolarHBondContact O-N 3.36Å; K121-S125 PolarHBondContact O-OG 3.05Å; K121-V133 HydrophobicContact CB-CG2 3.88Å; K121-V133 HydrophobicContact CG-CG2 4.33Å
122D87.9Confident85.1Confident86 Ų8668.4 Ų68.446%0.4634%0.338SS..Hα-helixtrans-63-43.6-178.7-64.2-26.1000111Q118Q118-D122 PolarHBondContact NE2-OD1 2.96Å; Q118-D122 PolarHBondContact NE2-OD2 2.97Å; Q118-D122 VanDerWaalsContact O-CG 3.27Å; Q118-D122 PolarHBondContact O-N 2.69Å
123Y88.3Confident85.3Confident59 Ų5969.2 Ų69.223%0.23134%0.342CS..Hα-helixtrans-63.5-49.7175.4-179.9-95.3000112.2D119 K121 S125 T126 F127 H166 M167 I168D119-Y123 VanDerWaalsContact O-CB 3.3Å; D119-Y123 WeakPolarHBondContact O-CB 3.34Å; D119-Y123 PolarHBondContact O-N 2.76Å; K121-Y123 PolarHBondContact O-N 2.91Å; Y123-S125 VanDerWaalsContact C-N 3.33Å; Y123-S125 PolarHBondContact O-N 2.89Å; Y123-T126 WeakPolarHBondContact O-CB 3.38Å; Y123-T126 WeakPolarHBondContact O-CG2 3.49Å; Y123-T126 PolarHBondContact O-N 3.3Å; Y123-T126 PolarHBondContact O-OG1 3.09Å; Y123-F127 HydrophobicContact CD1-CE2 4.22Å; Y123-F127 AromaticContact CE1-CE2 3.68Å; Y123-F127 HydrophobicContact CE1-CE2 3.68Å; Y123-F127 HydrophobicContact CE1-CZ 4.38Å; Y123-F127 AromaticContact CZ-CE2 3.97Å; Y123-H166 HydrophobicContact CE1-CB 3.66Å; Y123-H166 AromaticContact CE1-CG 3.82Å; Y123-H166 AromaticContact CE1-ND1 3.45Å; Y123-H166 WeakPolarHBondContact CE1-ND1 3.04Å; Y123-H166 AromaticContact CZ-ND1 3.82Å; Y123-H166 WeakPolarHBondContact OH-CA 3.45Å; Y123-H166 VanDerWaalsContact OH-CB 3.27Å; Y123-H166 WeakPolarHBondContact OH-CB 3.37Å; Y123-H166 PolarHBondContact OH-ND1 3.37Å; Y123-M167 WeakPolarHBondContact CE2-O 3.32Å; Y123-M167 PolarHBondContact OH-N 2.86Å; Y123-I168 HydrophobicContact CD1-CD1 3.92Å; Y123-I168 HydrophobicContact CD1-CG1 3.86Å; Y123-I168 HydrophobicContact CD2-CG1 4.37Å; Y123-I168 HydrophobicContact CE1-CD1 4.03Å; Y123-I168 HydrophobicContact CE1-CG1 3.82Å; Y123-I168 HydrophobicContact CE2-CG1 4.33Å; Y123-I168 HydrophobicContact CG-CG1 4.14Å
124F88.6Confident85.3Confident0 Ų063.8 Ų63.80%033%0.325CS..Hα-helixtrans-73.8-23.8-176.5-77.8-59.6000113.7V108 L120 K121 T126 F127 G128 V130 V150 F152 V161 H166 I168 C175V108-F124 HydrophobicContact CG1-CE2 4.32Å; V108-F124 HydrophobicContact CG1-CZ 4.16Å; V108-F124 HydrophobicContact CG2-CE2 3.79Å; V108-F124 HydrophobicContact CG2-CZ 3.88Å; L120-F124 HydrophobicContact CB-CD2 4.48Å; L120-F124 HydrophobicContact CD2-CD2 4.01Å; L120-F124 HydrophobicContact CD2-CE2 3.52Å; L120-F124 WeakPolarHBondContact O-CB 3.42Å; L120-F124 WeakPolarHBondContact O-CD2 3.38Å; L120-F124 PolarHBondContact O-N 3.49Å; K121-F124 PolarHBondContact O-N 3.41Å; F124-T126 PolarHBondContact O-N 3.37Å; F124-T126 VanDerWaalsContact O-N 3.15Å; F124-F127 HydrophobicContact CD1-CD2 4.13Å; F124-F127 HydrophobicContact CD1-CE2 4.47Å; F124-F127 PolarHBondContact O-N 3.35Å; F124-G128 PolarHBondContact O-N 2.86Å; F124-V130 HydrophobicContact CB-CG2 3.72Å; F124-V150 HydrophobicContact CB-CG2 4.18Å; F124-V150 HydrophobicContact CD2-CB 4.28Å; F124-V150 HydrophobicContact CD2-CG1 4.31Å; F124-V150 HydrophobicContact CD2-CG2 4.01Å; F124-V150 HydrophobicContact CE2-CG1 4.24Å; F124-V150 HydrophobicContact CG-CG2 4.13Å; F124-V150 HydrophobicContact CZ-CG1 4.48Å; F124-F152 HydrophobicContact CB-CE1 3.98Å; F124-F152 HydrophobicContact CB-CZ 3.73Å; F124-F152 HydrophobicContact CD1-CE2 4.47Å; F124-F152 AromaticContact CD1-CZ 3.67Å; F124-F152 HydrophobicContact CD1-CZ 3.67Å; F124-F152 AromaticContact CG-CZ 3.89Å; F124-F152 HydrophobicContact CG-CZ 3.89Å; F124-V161 HydrophobicContact CD1-CG1 4.24Å; F124-V161 HydrophobicContact CD1-CG2 4.48Å; F124-V161 HydrophobicContact CE1-CG1 3.75Å; F124-H166 AromaticContact CE1-ND1 3.96Å; F124-I168 HydrophobicContact CE2-CD1 4.14Å; F124-I168 HydrophobicContact CZ-CD1 4.12Å; F124-C175 VanDerWaalsContact CZ-SG 3.57Å
125S86.9Confident85.4Confident56 Ų5656.9 Ų56.939%0.39230%0.296SS..THydrogen-bonded Turntrans-62.3-19173.5-62.10000112.7K121 Y123 F127 G128K121-S125 WeakPolarHBondContact O-CB 3.36Å; K121-S125 PolarHBondContact O-N 3.36Å; K121-S125 PolarHBondContact O-OG 3.05Å; Y123-S125 VanDerWaalsContact C-N 3.33Å; Y123-S125 PolarHBondContact O-N 2.89Å; S125-F127 VanDerWaalsContact C-N 3.25Å; S125-F127 PolarHBondContact O-N 2.76Å; S125-G128 WeakPolarHBondContact CA-O 3.34Å
126T86.4Confident85.4Confident105 Ų10560.1 Ų60.164%0.64431%0.31SS*.THydrogen-bonded Turntrans-70.1-20.1173.1680000113.6Y123 F124Y123-T126 WeakPolarHBondContact O-CB 3.38Å; Y123-T126 WeakPolarHBondContact O-CG2 3.49Å; Y123-T126 PolarHBondContact O-N 3.3Å; Y123-T126 PolarHBondContact O-OG1 3.09Å; F124-T126 PolarHBondContact O-N 3.37Å; F124-T126 VanDerWaalsContact O-N 3.15Å
127F79.8Confident85.3Confident47 Ų4762.1 Ų62.121%0.20631%0.313CS..THydrogen-bonded Turntrans-94.5-30.6179.3-63.2-82.9000112.5Y123 F124 S125 T157 V161 H166Y123-F127 HydrophobicContact CD1-CE2 4.22Å; Y123-F127 AromaticContact CE1-CE2 3.68Å; Y123-F127 HydrophobicContact CE1-CE2 3.68Å; Y123-F127 HydrophobicContact CE1-CZ 4.38Å; Y123-F127 AromaticContact CZ-CE2 3.97Å; F124-F127 HydrophobicContact CD1-CD2 4.13Å; F124-F127 HydrophobicContact CD1-CE2 4.47Å; F124-F127 PolarHBondContact O-N 3.35Å; S125-F127 VanDerWaalsContact C-N 3.25Å; S125-F127 PolarHBondContact O-N 2.76Å; F127-T157 HydrophobicContact CB-CG2 3.99Å; F127-V161 HydrophobicContact CB-CG2 3.86Å; F127-V161 HydrophobicContact CD1-CG2 4.26Å; F127-V161 HydrophobicContact CD2-CG2 4.34Å; F127-V161 HydrophobicContact CG-CG2 3.88Å; F127-H166 AromaticContact CE2-CE1 3.98Å; F127-H166 AromaticContact CE2-ND1 3.76Å; F127-H166 AromaticContact CZ-CE1 3.79Å; F127-H166 AromaticContact CZ-ND1 3.64Å
128G81.8Confident84.7Confident18 Ų1860.8 Ų60.819%0.18631%0.308CS..SBendtrans168.3179.2178.600000110.9F124 S125 V130F124-G128 PolarHBondContact O-N 2.86Å; S125-G128 WeakPolarHBondContact CA-O 3.34Å; G128-V130 PolarHBondContact O-N 3.03Å
129E80.8Confident84.1Confident134 Ų13464.1 Ų64.163%0.62633%0.329SS*.  trans-68.7127.2-175.9-175.9-176.8-178.800111.8F152 T153E129-F152 WeakPolarHBondContact O-CA 3.42Å; E129-T153 HydrophobicContact CB-CG2 3.87Å; E129-T153 WeakPolarHBondContact CB-OG1 3.47Å; E129-T153 HydrophobicContact CG-CG2 3.7Å; E129-T153 PolarHBondContact O-N 3.28Å; E129-T153 PolarHBondContact O-OG1 3.06Å
130V84.8Confident83.4Confident14 Ų1470.8 Ų70.89%0.08536%0.355CS..EExtended strand (participates in β ladder)trans-98.7112.8-177.2-1770000109.7F124 G128 M132 V133 V150 R151 F152F124-V130 HydrophobicContact CB-CG2 3.72Å; G128-V130 PolarHBondContact O-N 3.03Å; V130-M132 WeakPolarHBondContact CG1-O 3.49Å; V130-V133 HydrophobicContact CG1-CG2 3.44Å; V130-V133 VanDerWaalsContact CG1-CG2 3.44Å; V130-V150 HydrophobicContact CG1-CG2 3.67Å; V130-V150 HydrophobicContact CG2-CG2 4.47Å; V130-R151 CarbonylContact C-O 3.56Å; V130-F152 HydrophobicContact CG2-CD1 4.03Å; V130-F152 HydrophobicContact CG2-CE1 3.67Å; V130-F152 HydrophobicContact CG2-CZ 4.44Å
131L78.5Confident82.9Confident99 Ų9974.9 Ų74.952%0.51838%0.38SS..EExtended strand (participates in β ladder)trans-68.5-43.5175.7-76178.6000112.3R151 F152 T153L131-R151 HydrophobicContact CB-CB 4.26Å; L131-R151 HydrophobicContact CB-CG 4.16Å; L131-R151 HydrophobicContact CD1-CG 4.07Å; L131-R151 PolarHBondContact N-O 3.08Å; L131-F152 WeakPolarHBondContact CD1-O 3.46Å; L131-T153 HydrophobicContact CD1-CG2 4.29Å; L131-T153 HydrophobicContact CD2-CG2 3.54Å; L131-T153 HydrophobicContact CG-CG2 3.56Å
132M78.9Confident82.3Confident61 Ų6172.7 Ų72.730%0.338%0.384SS..EExtended strand (participates in β ladder)trans-151.8147.1-177.393.8-169.7-164.900111.7D105 V130 V150 R151D105-M132 HydrophobicContact CB-CE 4.13Å; D105-M132 WeakPolarHBondContact OD1-CE 3.43Å; D105-M132 WeakPolarHBondContact OD2-CE 3.42Å; V130-M132 WeakPolarHBondContact CG1-O 3.49Å; M132-V150 CarbonylContact O-C 3.52Å; M132-V150 WeakPolarHBondContact O-CA 3.48Å; M132-R151 HydrophobicContact CB-CB 4.41Å; M132-R151 HydrophobicContact CE-CB 4.39Å; M132-R151 HydrophobicContact CG-CB 3.64Å; M132-R151 PolarHBondContact N-O 3.18Å; M132-R151 PolarHBondContact O-N 3.5Å; M132-R151 HydrophobicContact SD-CB 4.11Å
133V87.2Confident81.7Confident29 Ų2975 Ų7518%0.17639%0.392CS..EExtended strand (participates in β ladder)trans-131.8138.3169-177.90000108.1E117 L120 K121 V130 F149 V150E117-V133 HydrophobicContact CB-CG1 4.24Å; E117-V133 HydrophobicContact CG-CG1 4.44Å; E117-V133 WeakPolarHBondContact O-CG1 3.25Å; L120-V133 HydrophobicContact CB-CG1 3.53Å; L120-V133 HydrophobicContact CD1-CG1 3.84Å; L120-V133 HydrophobicContact CG-CG1 4.34Å; K121-V133 HydrophobicContact CB-CG2 3.88Å; K121-V133 HydrophobicContact CG-CG2 4.33Å; V130-V133 HydrophobicContact CG1-CG2 3.44Å; V130-V133 VanDerWaalsContact CG1-CG2 3.44Å; V133-F149 CarbonylContact C-O 3.58Å; V133-F149 VanDerWaalsContact CA-O 3.31Å; V133-F149 WeakPolarHBondContact CA-O 3.45Å; V133-V150 HydrophobicContact CG2-CG2 4.23Å
134Q85.1Confident81.4Confident82 Ų8272.8 Ų72.838%0.38339%0.385SS..EExtended strand (participates in β ladder)trans-142.4118.9174-173.7175.268.900112E117 K136 G148 F149E117-Q134 VanDerWaalsContact OE1-CA 3.29Å; E117-Q134 WeakPolarHBondContact OE1-CA 3.26Å; Q134-K136 VanDerWaalsContact OE1-CE 3.27Å; Q134-G148 CarbonylContact O-C 3.5Å; Q134-G148 WeakPolarHBondContact O-CA 3.36Å; Q134-F149 HydrophobicContact CB-CB 4.47Å; Q134-F149 PolarHBondContact N-O 3.48Å; Q134-F149 PolarHBondContact O-N 2.94Å
135V87.9Confident81Confident8 Ų877.7 Ų77.75%0.04841%0.407CS..EExtended strand (participates in β ladder)trans-89.9125.3173.2175.70000109E117 L120 K137E117-V135 HydrophobicContact CB-CG2 4.45Å; E117-V135 HydrophobicContact CG-CB 3.77Å; E117-V135 HydrophobicContact CG-CG2 3.57Å; E117-V135 VanDerWaalsContact CG-N 3.33Å; E117-V135 PolarHBondContact OE1-N 2.94Å; L120-V135 HydrophobicContact CD1-CG2 3.23Å; V135-K137 HydrophobicContact CG1-CG 4.2Å; V135-K137 PolarHBondContact O-N 3.06Å
136K84.4Confident80.7Confident72 Ų7275.5 Ų75.531%0.31339%0.393SS..EExtended strand (participates in β ladder)trans-80.6113.7175.5-70.8-55.8-168.5-171.60110.1Q134 K145 F147 F149Q134-K136 VanDerWaalsContact OE1-CE 3.27Å; K136-K145 WeakPolarHBondContact O-CB 3.48Å; K136-K145 PolarHBondContact O-N 3.32Å; K136-F147 HydrophobicContact CB-CD2 4.18Å; K136-F147 HydrophobicContact CB-CE1 4.11Å; K136-F147 HydrophobicContact CB-CE2 3.65Å; K136-F147 HydrophobicContact CB-CZ 3.59Å; K136-F147 HydrophobicContact CG-CD2 4.2Å; K136-F147 HydrophobicContact CG-CE2 3.49Å; K136-F147 VanDerWaalsContact CG-CE2 3.49Å; K136-F147 HydrophobicContact CG-CZ 3.81Å; K136-F147 PolarHBondContact N-O 3.35Å; K136-F147 VanDerWaalsContact N-O 3.08Å; K136-F149 HydrophobicContact CD-CE2 4.33Å; K136-F149 HydrophobicContact CG-CD2 4.11Å; K136-F149 HydrophobicContact CG-CE2 3.74Å
137K84.5Confident80.6Confident99 Ų9972.8 Ų72.843%0.4337%0.372SS..EExtended strand (participates in β ladder)trans-104154.3172.9-59.5175.4-175.2174.20110.1V135 H143V135-K137 HydrophobicContact CG1-CG 4.2Å; V135-K137 PolarHBondContact O-N 3.06Å; K137-H143 CarbonylContact C-O 3.55Å; K137-H143 VanDerWaalsContact CA-O 3.31Å; K137-H143 WeakPolarHBondContact CA-O 3.33Å
138D75.9Confident81.1Confident49 Ų4970.5 Ų70.526%0.26236%0.362SS..  trans-72.5130.9171.1-161.5-83.3000110.4K140 G142 H143 K145D138-K140 PolarHBondContact O-N 2.78Å; D138-K140 WeakPolarHBondContact OD1-CB 3.41Å; D138-K140 PolarHBondContact OD1-N 3.33Å; D138-G142 WeakPolarHBondContact O-CA 3.46Å; D138-G142 PolarHBondContact O-N 2.86Å; D138-H143 PolarHBondContact N-O 3.09Å; D138-K145 VanDerWaalsContact CA-CE 3.44Å; D138-K145 WeakPolarHBondContact OD2-CE 3.26Å; D138-K145 IonicContact OD2-NZ 4Å; D138-K145 PolarHBondContact OD2-NZ 3.34Å
139L72.6Confident81.4Confident173 Ų17371.2 Ų71.291%0.90636%0.36SS*.THydrogen-bonded Turntrans-69.8-22.2-176.1-75.189000112.7
140K74.7Confident81.8Confident200 Ų20064.9 Ų64.987%0.8733%0.33SS*.THydrogen-bonded Turntrans-88.7-37.5-177.9-63.7-174.1178.7-1750112.3D138D138-K140 PolarHBondContact O-N 2.78Å; D138-K140 WeakPolarHBondContact OD1-CB 3.41Å; D138-K140 PolarHBondContact OD1-N 3.33Å
141T78.4Confident81.7Confident87 Ų8768.4 Ų68.453%0.53434%0.342SS..THydrogen-bonded Turntrans-107.5-14.2-175.4650000113.4H143T141-H143 PolarHBondContact O-CD2 2.77Å; T141-H143 PolarHBondContact O-N 3.29Å; T141-H143 VanDerWaalsContact O-N 3.15Å; T141-H143 PolarHBondContact OG1-N 3.16Å
142G74.5Confident82.1Confident48 Ų4863.7 Ų63.750%0.49532%0.317SS..  trans70.8-2.1-17300000114.1D138D138-G142 WeakPolarHBondContact O-CA 3.46Å; D138-G142 PolarHBondContact O-N 2.86Å
143H76.2Confident82Confident135 Ų13563 Ų6363%0.62532%0.317SS*.  trans-76.1142.1-176.6-69.4-160.3000111.1K137 D138 T141K137-H143 CarbonylContact C-O 3.55Å; K137-H143 VanDerWaalsContact CA-O 3.31Å; K137-H143 WeakPolarHBondContact CA-O 3.33Å; D138-H143 PolarHBondContact N-O 3.09Å; T141-H143 PolarHBondContact O-CD2 2.77Å; T141-H143 PolarHBondContact O-N 3.29Å; T141-H143 VanDerWaalsContact O-N 3.15Å; T141-H143 PolarHBondContact OG1-N 3.16Å
144S82.3Confident81.5Confident13 Ų1366.6 Ų66.69%0.09133%0.332CS..EExtended strand (participates in β ladder)trans-61.3137.9175.3178.70000111.4W113 G146W113-S144 WeakPolarHBondContact O-CB 3.32Å; S144-G146 PolarHBondContact O-N 2.95Å; S144-G146 PolarHBondContact OG-N 3.35Å
145K79.3Confident81Confident103 Ų10365.1 Ų65.145%0.44832%0.323SS..EExtended strand (participates in β ladder)trans-81.14173.7-61.4-164.4177.3-156.20112.8K136 D138 F147K136-K145 WeakPolarHBondContact O-CB 3.48Å; K136-K145 PolarHBondContact O-N 3.32Å; D138-K145 VanDerWaalsContact CA-CE 3.44Å; D138-K145 WeakPolarHBondContact OD2-CE 3.26Å; D138-K145 IonicContact OD2-NZ 4Å; D138-K145 PolarHBondContact OD2-NZ 3.34Å; K145-F147 VanDerWaalsContact C-N 3.28Å; K145-F147 HydrophobicContact CB-CD1 3.61Å; K145-F147 HydrophobicContact CB-CE1 3.41Å; K145-F147 VanDerWaalsContact CB-CE1 3.41Å; K145-F147 HydrophobicContact CB-CZ 4.46Å; K145-F147 HydrophobicContact CD-CE1 4.02Å; K145-F147 HydrophobicContact CG-CE1 4.28Å; K145-F147 PolarHBondContact O-N 3Å
146G79.9Confident80.4Confident10 Ų1069.6 Ų69.610%0.10334%0.343CS..EExtended strand (participates in β ladder)trans71.522.9-178.600000113.5G110 L111 S144G110-G146 PolarHBondContact N-O 3.47Å; G110-G146 VanDerWaalsContact N-O 3.11Å; L111-G146 PolarHBondContact N-O 3.48Å; L111-G146 VanDerWaalsContact O-CA 3.29Å; L111-G146 WeakPolarHBondContact O-CA 3.13Å; S144-G146 PolarHBondContact O-N 2.95Å; S144-G146 PolarHBondContact OG-N 3.35Å
147F86.3Confident80.2Confident47 Ų4766.6 Ų66.621%0.20633%0.331CS..EExtended strand (participates in β ladder)trans-149.2156.6171.275.4-86.5000111.8I107 V108 L109 K136 K145 F149I107-F147 HydrophobicContact CD1-CD2 3.81Å; I107-F147 HydrophobicContact CD1-CE2 4.28Å; I107-F147 HydrophobicContact CG1-CD2 4.09Å; V108-F147 CarbonylContact O-C 3.45Å; V108-F147 WeakPolarHBondContact O-CA 3.32Å; V108-F147 VanDerWaalsContact O-CB 3.3Å; V108-F147 WeakPolarHBondContact O-CB 3.31Å; L109-F147 HydrophobicContact CD2-CB 4.02Å; K136-F147 HydrophobicContact CB-CD2 4.18Å; K136-F147 HydrophobicContact CB-CE1 4.11Å; K136-F147 HydrophobicContact CB-CE2 3.65Å; K136-F147 HydrophobicContact CB-CZ 3.59Å; K136-F147 HydrophobicContact CG-CD2 4.2Å; K136-F147 HydrophobicContact CG-CE2 3.49Å; K136-F147 VanDerWaalsContact CG-CE2 3.49Å; K136-F147 HydrophobicContact CG-CZ 3.81Å; K136-F147 PolarHBondContact N-O 3.35Å; K136-F147 VanDerWaalsContact N-O 3.08Å; K145-F147 VanDerWaalsContact C-N 3.28Å; K145-F147 HydrophobicContact CB-CD1 3.61Å; K145-F147 HydrophobicContact CB-CE1 3.41Å; K145-F147 VanDerWaalsContact CB-CE1 3.41Å; K145-F147 HydrophobicContact CB-CZ 4.46Å; K145-F147 HydrophobicContact CD-CE1 4.02Å; K145-F147 HydrophobicContact CG-CE1 4.28Å; K145-F147 PolarHBondContact O-N 3Å; F147-F149 HydrophobicContact CD2-CE2 4.29Å; F147-F149 AromaticContact CE2-CE2 3.89Å; F147-F149 HydrophobicContact CE2-CE2 3.89Å; F147-F149 HydrophobicContact CE2-CZ 4.23Å
148G88.5Confident80Confident0 Ų062 Ų620%031%0.311CS..EExtended strand (participates in β ladder)trans-147.7179.8-179.800000111.8I107 V108 Q134I107-G148 CarbonylContact C-O 3.36Å; I107-G148 WeakPolarHBondContact CA-O 3.48Å; V108-G148 PolarHBondContact N-O 3.42Å; V108-G148 PolarHBondContact O-N 2.9Å; Q134-G148 CarbonylContact O-C 3.5Å; Q134-G148 WeakPolarHBondContact O-CA 3.36Å
149F87.8Confident79.9Confident33 Ų3362.5 Ų62.515%0.14532%0.316CS..EExtended strand (participates in β ladder)trans-122.2143175.8-64.9-87000110.1D105 L106 I107 V133 Q134 K136 F147 P178D105-F149 HydrophobicContact CB-CD1 4.33Å; L106-F149 CarbonylContact O-C 3.59Å; L106-F149 WeakPolarHBondContact O-CA 3.46Å; I107-F149 HydrophobicContact CB-CD1 4.23Å; I107-F149 HydrophobicContact CB-CE1 3.97Å; I107-F149 HydrophobicContact CD1-CE1 4.25Å; I107-F149 HydrophobicContact CD1-CZ 4.18Å; I107-F149 HydrophobicContact CG1-CE1 4.12Å; I107-F149 HydrophobicContact CG1-CZ 4.36Å; V133-F149 CarbonylContact C-O 3.58Å; V133-F149 VanDerWaalsContact CA-O 3.31Å; V133-F149 WeakPolarHBondContact CA-O 3.45Å; Q134-F149 HydrophobicContact CB-CB 4.47Å; Q134-F149 PolarHBondContact N-O 3.48Å; Q134-F149 PolarHBondContact O-N 2.94Å; K136-F149 HydrophobicContact CD-CE2 4.33Å; K136-F149 HydrophobicContact CG-CD2 4.11Å; K136-F149 HydrophobicContact CG-CE2 3.74Å; F147-F149 HydrophobicContact CD2-CE2 4.29Å; F147-F149 AromaticContact CE2-CE2 3.89Å; F147-F149 HydrophobicContact CE2-CE2 3.89Å; F147-F149 HydrophobicContact CE2-CZ 4.23Å; F149-P178 HydrophobicContact CD1-CG 4.48Å; F149-P178 HydrophobicContact CE1-CB 3.89Å; F149-P178 HydrophobicContact CE1-CG 4.06Å
150V89.6Confident80.2Confident0 Ų060.4 Ų60.40%030%0.299CS..EExtended strand (participates in β ladder)trans-135.5135.2173.562.60000109.4L106 V108 F124 V130 M132 V133 F152L106-V150 HydrophobicContact CB-CG1 3.85Å; L106-V150 PolarHBondContact N-O 2.83Å; L106-V150 PolarHBondContact O-N 3.47Å; V108-V150 HydrophobicContact CG2-CB 4.38Å; V108-V150 HydrophobicContact CG2-CG1 3.67Å; F124-V150 HydrophobicContact CB-CG2 4.18Å; F124-V150 HydrophobicContact CD2-CB 4.28Å; F124-V150 HydrophobicContact CD2-CG1 4.31Å; F124-V150 HydrophobicContact CD2-CG2 4.01Å; F124-V150 HydrophobicContact CE2-CG1 4.24Å; F124-V150 HydrophobicContact CG-CG2 4.13Å; F124-V150 HydrophobicContact CZ-CG1 4.48Å; V130-V150 HydrophobicContact CG1-CG2 3.67Å; V130-V150 HydrophobicContact CG2-CG2 4.47Å; M132-V150 CarbonylContact O-C 3.52Å; M132-V150 WeakPolarHBondContact O-CA 3.48Å; V133-V150 HydrophobicContact CG2-CG2 4.23Å; V150-F152 HydrophobicContact CG1-CE2 3.95Å; V150-F152 HydrophobicContact CG2-CD2 4.44Å; V150-F152 HydrophobicContact CG2-CE2 3.86Å; V150-F152 HydrophobicContact CG2-CZ 3.95Å
151R83.7Confident80.8Confident88 Ų8850.9 Ų50.933%0.33226%0.258SS..EExtended strand (participates in β ladder)trans-119.4130.4172.3-174.1-176.4-72-178.31.1108.7D105 V130 L131 M132D105-R151 VanDerWaalsContact CG-NH2 3.26Å; D105-R151 IonicContact OD1-CZ 3.76Å; D105-R151 IonicContact OD1-NE 3.58Å; D105-R151 PolarHBondContact OD1-NE 3.4Å; D105-R151 IonicContact OD1-NH2 3.25Å; D105-R151 PolarHBondContact OD1-NH2 3.45Å; D105-R151 IonicContact OD2-NH2 3.53Å; D105-R151 PolarHBondContact OD2-NH2 3.16Å; D105-R151 VanDerWaalsContact OD2-NH2 3.07Å; V130-R151 CarbonylContact C-O 3.56Å; L131-R151 HydrophobicContact CB-CB 4.26Å; L131-R151 HydrophobicContact CB-CG 4.16Å; L131-R151 HydrophobicContact CD1-CG 4.07Å; L131-R151 PolarHBondContact N-O 3.08Å; M132-R151 HydrophobicContact CB-CB 4.41Å; M132-R151 HydrophobicContact CE-CB 4.39Å; M132-R151 HydrophobicContact CG-CB 3.64Å; M132-R151 PolarHBondContact N-O 3.18Å; M132-R151 PolarHBondContact O-N 3.5Å; M132-R151 HydrophobicContact SD-CB 4.11Å
152F85.6Confident80.9Confident0 Ų049.5 Ų49.50%025%0.246CC..EExtended strand (participates in β ladder)trans-96.5159.7173.4-67.9-82.7000111T103 L106 F124 E129 V130 L131 V150 T157 V161T103-F152 VanDerWaalsContact CB-O 3.26Å; T103-F152 WeakPolarHBondContact CB-O 3.43Å; T103-F152 WeakPolarHBondContact CG2-O 3.41Å; T103-F152 PolarHBondContact OG1-O 3.43Å; L106-F152 HydrophobicContact CD1-CD2 4.38Å; L106-F152 HydrophobicContact CD1-CE2 4.17Å; F124-F152 HydrophobicContact CB-CE1 3.98Å; F124-F152 HydrophobicContact CB-CZ 3.73Å; F124-F152 HydrophobicContact CD1-CE2 4.47Å; F124-F152 AromaticContact CD1-CZ 3.67Å; F124-F152 HydrophobicContact CD1-CZ 3.67Å; F124-F152 AromaticContact CG-CZ 3.89Å; F124-F152 HydrophobicContact CG-CZ 3.89Å; E129-F152 WeakPolarHBondContact O-CA 3.42Å; V130-F152 HydrophobicContact CG2-CD1 4.03Å; V130-F152 HydrophobicContact CG2-CE1 3.67Å; V130-F152 HydrophobicContact CG2-CZ 4.44Å; L131-F152 WeakPolarHBondContact CD1-O 3.46Å; V150-F152 HydrophobicContact CG1-CE2 3.95Å; V150-F152 HydrophobicContact CG2-CD2 4.44Å; V150-F152 HydrophobicContact CG2-CE2 3.86Å; V150-F152 HydrophobicContact CG2-CZ 3.95Å; F152-T157 HydrophobicContact CB-CG2 4.28Å; F152-T157 HydrophobicContact CD1-CG2 3.36Å; F152-T157 HydrophobicContact CD2-CG2 4.4Å; F152-T157 HydrophobicContact CE1-CG2 3.67Å; F152-T157 HydrophobicContact CG-CG2 3.75Å; F152-T157 HydrophobicContact CZ-CG2 4.31Å; F152-V161 HydrophobicContact CE2-CB 4.23Å; F152-V161 HydrophobicContact CE2-CG1 4.04Å; F152-V161 HydrophobicContact CE2-CG2 3.99Å; F152-V161 HydrophobicContact CZ-CB 4.5Å; F152-V161 HydrophobicContact CZ-CG1 4.36Å; F152-V161 HydrophobicContact CZ-CG2 3.79Å
153T78.1Confident81Confident46 Ų4651.9 Ų51.928%0.28226%0.255SS..SBendtrans-70.2-39.4167.951.60000111.5T103 E129 L131T103-T153 WeakPolarHBondContact CG2-O 3.19Å; E129-T153 HydrophobicContact CB-CG2 3.87Å; E129-T153 WeakPolarHBondContact CB-OG1 3.47Å; E129-T153 HydrophobicContact CG-CG2 3.7Å; E129-T153 PolarHBondContact O-N 3.28Å; E129-T153 PolarHBondContact O-OG1 3.06Å; L131-T153 HydrophobicContact CD1-CG2 4.29Å; L131-T153 HydrophobicContact CD2-CG2 3.54Å; L131-T153 HydrophobicContact CG-CG2 3.56Å
154E75.9Confident81Confident105 Ų10549.2 Ų49.249%0.49124%0.243SC..  trans-104.8134.3-173.3-66.2179.7-176.700113T157 Q158E154-T157 PolarHBondContact O-N 3.26Å; E154-T157 PolarHBondContact OE2-OG1 3.3Å; E154-Q158 PolarHBondContact O-N 3.34Å
155Y74.6Confident80.9Confident52 Ų5254.7 Ų54.720%0.20426%0.262CS..Hα-helixtrans-67.6-35.4175.6-178.1-89.7000112.6Q101 T157 Q158 V159Q101-Y155 HydrophobicContact CB-CD1 4.12Å; Q101-Y155 HydrophobicContact CB-CD2 3.66Å; Q101-Y155 HydrophobicContact CB-CE2 4.12Å; Q101-Y155 HydrophobicContact CB-CG 3.64Å; Y155-T157 VanDerWaalsContact C-N 3.29Å; Y155-T157 PolarHBondContact O-N 2.81Å; Y155-Q158 WeakPolarHBondContact O-CA 3.33Å; Y155-Q158 VanDerWaalsContact O-CB 3.26Å; Y155-Q158 WeakPolarHBondContact O-CB 3.32Å; Y155-Q158 PolarHBondContact O-N 2.98Å; Y155-Q158 VanDerWaalsContact O-N 3.08Å; Y155-V159 HydrophobicContact CD1-CG2 3.74Å; Y155-V159 HydrophobicContact CE1-CG2 3.21Å; Y155-V159 HydrophobicContact CE2-CG2 4.47Å; Y155-V159 PolarHBondContact O-N 2.94Å
156E75.1Confident81.2Confident101 Ų10149.8 Ų49.847%0.47224%0.24SC..Hα-helixtrans-62.3-41.2178.2-57.5-160.7130.500111.5R98 Q158 V159 K160R98-E156 IonicContact CZ-OE1 3.68Å; R98-E156 IonicContact CZ-OE2 3.35Å; R98-E156 IonicContact NE-OE1 2.84Å; R98-E156 PolarHBondContact NE-OE1 2.99Å; R98-E156 IonicContact NH1-OE1 3.74Å; R98-E156 PolarHBondContact NH1-OE1 2.85Å; R98-E156 IonicContact NH1-OE2 3.11Å; R98-E156 PolarHBondContact NH1-OE2 3.31Å; R98-E156 IonicContact NH2-OE1 3.99Å; R98-E156 PolarHBondContact NH2-OE1 3.32Å; R98-E156 VanDerWaalsContact NH2-OE1 3.11Å; E156-Q158 VanDerWaalsContact C-N 3.32Å; E156-Q158 PolarHBondContact O-N 2.63Å; E156-V159 PolarHBondContact O-N 3.15Å; E156-K160 WeakPolarHBondContact O-CB 3.12Å; E156-K160 PolarHBondContact O-N 2.9Å
157T80Confident81.4Confident10 Ų1052.9 Ų52.96%0.06125%0.253CS..Hα-helixtrans-60.5-43.7172.7-64.90000110.9F127 F152 E154 Y155 V159 K160 V161F127-T157 HydrophobicContact CB-CG2 3.99Å; F152-T157 HydrophobicContact CB-CG2 4.28Å; F152-T157 HydrophobicContact CD1-CG2 3.36Å; F152-T157 HydrophobicContact CD2-CG2 4.4Å; F152-T157 HydrophobicContact CE1-CG2 3.67Å; F152-T157 HydrophobicContact CG-CG2 3.75Å; F152-T157 HydrophobicContact CZ-CG2 4.31Å; E154-T157 PolarHBondContact O-N 3.26Å; E154-T157 PolarHBondContact OE2-OG1 3.3Å; Y155-T157 VanDerWaalsContact C-N 3.29Å; Y155-T157 PolarHBondContact O-N 2.81Å; T157-V159 PolarHBondContact O-N 3.27Å; T157-K160 PolarHBondContact O-N 3.06Å; T157-V161 HydrophobicContact CG2-CG2 4.39Å; T157-V161 WeakPolarHBondContact O-CB 3.48Å; T157-V161 VanDerWaalsContact O-CG2 3.26Å; T157-V161 WeakPolarHBondContact O-CG2 3.32Å; T157-V161 PolarHBondContact O-N 2.97Å
158Q80.9Confident81.4Confident3 Ų350.9 Ų50.91%0.01425%0.245CC..Hα-helixtrans-58.3-48.2176.4-170.9-166.5-56.400112.3S104 L106 E154 Y155 E156 V161 M162S104-Q158 PolarHBondContact O-OE1 2.77Å; L106-Q158 HydrophobicContact CD1-CG 3.63Å; L106-Q158 HydrophobicContact CD2-CG 3.59Å; L106-Q158 HydrophobicContact CG-CG 3.69Å; E154-Q158 PolarHBondContact O-N 3.34Å; Y155-Q158 WeakPolarHBondContact O-CA 3.33Å; Y155-Q158 VanDerWaalsContact O-CB 3.26Å; Y155-Q158 WeakPolarHBondContact O-CB 3.32Å; Y155-Q158 PolarHBondContact O-N 2.98Å; Y155-Q158 VanDerWaalsContact O-N 3.08Å; E156-Q158 VanDerWaalsContact C-N 3.32Å; E156-Q158 PolarHBondContact O-N 2.63Å; Q158-V161 PolarHBondContact O-N 3Å; Q158-M162 HydrophobicContact CG-SD 4.31Å; Q158-M162 VanDerWaalsContact O-CG 3.32Å; Q158-M162 WeakPolarHBondContact O-CG 3.38Å; Q158-M162 PolarHBondContact O-N 3.03Å
159V73.9Confident81.1Confident58 Ų5854.5 Ų54.535%0.35226%0.264SS..Hα-helixtrans-61.8-46.7178.71750000110.5Y155 E156 T157 V161 M162 S163Y155-V159 HydrophobicContact CD1-CG2 3.74Å; Y155-V159 HydrophobicContact CE1-CG2 3.21Å; Y155-V159 HydrophobicContact CE2-CG2 4.47Å; Y155-V159 PolarHBondContact O-N 2.94Å; E156-V159 PolarHBondContact O-N 3.15Å; T157-V159 PolarHBondContact O-N 3.27Å; V159-V161 VanDerWaalsContact C-N 3.29Å; V159-V161 PolarHBondContact O-N 2.82Å; V159-M162 PolarHBondContact O-N 2.79Å; V159-S163 PolarHBondContact O-N 2.82Å; V159-S163 PolarHBondContact O-OG 2.79Å
160K79.5Confident80.7Confident130 Ų13056.2 Ų56.257%0.56529%0.291SS*.Hα-helixtrans-59.5-39.7179-172.3178.5-177.6-177.80112.6E156 T157E156-K160 WeakPolarHBondContact O-CB 3.12Å; E156-K160 PolarHBondContact O-N 2.9Å; T157-K160 PolarHBondContact O-N 3.06Å
161V86Confident80.2Confident0 Ų062.3 Ų62.30%031%0.314CS..Hα-helixtrans-68.8-38.1175.3166.80000111.1L106 F124 F127 F152 T157 Q158 V159 S163 H166 C175L106-V161 HydrophobicContact CD1-CB 4.31Å; L106-V161 HydrophobicContact CD1-CG1 3.81Å; F124-V161 HydrophobicContact CD1-CG1 4.24Å; F124-V161 HydrophobicContact CD1-CG2 4.48Å; F124-V161 HydrophobicContact CE1-CG1 3.75Å; F127-V161 HydrophobicContact CB-CG2 3.86Å; F127-V161 HydrophobicContact CD1-CG2 4.26Å; F127-V161 HydrophobicContact CD2-CG2 4.34Å; F127-V161 HydrophobicContact CG-CG2 3.88Å; F152-V161 HydrophobicContact CE2-CB 4.23Å; F152-V161 HydrophobicContact CE2-CG1 4.04Å; F152-V161 HydrophobicContact CE2-CG2 3.99Å; F152-V161 HydrophobicContact CZ-CB 4.5Å; F152-V161 HydrophobicContact CZ-CG1 4.36Å; F152-V161 HydrophobicContact CZ-CG2 3.79Å; T157-V161 HydrophobicContact CG2-CG2 4.39Å; T157-V161 WeakPolarHBondContact O-CB 3.48Å; T157-V161 VanDerWaalsContact O-CG2 3.26Å; T157-V161 WeakPolarHBondContact O-CG2 3.32Å; T157-V161 PolarHBondContact O-N 2.97Å; Q158-V161 PolarHBondContact O-N 3Å; V159-V161 VanDerWaalsContact C-N 3.29Å; V159-V161 PolarHBondContact O-N 2.82Å; V161-S163 VanDerWaalsContact C-N 3.34Å; V161-S163 PolarHBondContact O-N 2.77Å; V161-H166 WeakPolarHBondContact CG1-NE2 3.47Å; V161-H166 PolarHBondContact O-NE2 2.82Å; V161-C175 HydrophobicContact CG1-CB 3.75Å
162M81.4Confident80.2Confident57 Ų5764.7 Ų64.728%0.28132%0.323SS..Hα-helixtrans-69.8-29.6176.5-72.617861.200113.7L106 Q158 V159 Q164 L177L106-M162 HydrophobicContact CD1-CG 3.83Å; L106-M162 HydrophobicContact CD2-CG 3.62Å; L106-M162 HydrophobicContact CD2-SD 3.42Å; L106-M162 WeakPolarHBondContact CD2-SD 3.38Å; L106-M162 HydrophobicContact CG-CG 4.38Å; Q158-M162 HydrophobicContact CG-SD 4.31Å; Q158-M162 VanDerWaalsContact O-CG 3.32Å; Q158-M162 WeakPolarHBondContact O-CG 3.38Å; Q158-M162 PolarHBondContact O-N 3.03Å; V159-M162 PolarHBondContact O-N 2.79Å; M162-Q164 VanDerWaalsContact C-N 3.27Å; M162-Q164 PolarHBondContact O-N 3.45Å; M162-L177 HydrophobicContact CE-CB 4.47Å; M162-L177 HydrophobicContact CE-CD1 4.04Å; M162-L177 HydrophobicContact CE-CG 3.75Å; M162-L177 HydrophobicContact SD-CD1 4.48Å; M162-L177 HydrophobicContact SD-CD2 4.49Å; M162-L177 HydrophobicContact SD-CG 3.97Å
163S76.8Confident80.1Confident98 Ų9864.7 Ų64.769%0.68532%0.323SS*.THydrogen-bonded Turntrans-76.5-7.7-176.2-62.10000114.5V159 V161V159-S163 PolarHBondContact O-N 2.82Å; V159-S163 PolarHBondContact O-OG 2.79Å; V161-S163 VanDerWaalsContact C-N 3.34Å; V161-S163 PolarHBondContact O-N 2.77Å
164Q76.1Confident80.1Confident80 Ų8064.8 Ų64.837%0.37432%0.322SS..SBendtrans-135.8162.5-176.568.7-172.7-21.900113M162 H166M162-Q164 VanDerWaalsContact C-N 3.27Å; M162-Q164 PolarHBondContact O-N 3.45Å; Q164-H166 PolarHBondContact O-CD2 3.12Å; Q164-H166 PolarHBondContact O-NE2 3.37Å
165R80Confident80.5Confident128 Ų12860 Ų6048%0.48330%0.3SS..EExtended strand (participates in β ladder)trans-89.2147.8172.3-55.2-169.976.2-149.1-0.5109.9W172 D174R165-W172 HydrophobicContact CB-CE3 3.82Å; R165-W172 HydrophobicContact CB-CZ3 4.11Å; R165-D174 WeakPolarHBondContact CG-OD1 3.4Å; R165-D174 IonicContact CZ-OD1 3.96Å; R165-D174 IonicContact CZ-OD2 3.4Å; R165-D174 IonicContact NE-OD1 2.63Å; R165-D174 PolarHBondContact NE-OD1 2.99Å; R165-D174 IonicContact NE-OD2 2.68Å; R165-D174 PolarHBondContact NE-OD2 3.33Å; R165-D174 IonicContact NH2-OD2 2.86Å; R165-D174 PolarHBondContact NH2-OD2 3.42Å
166H85.5Confident80.8Confident0 Ų063 Ų630%031%0.314CS..EExtended strand (participates in β ladder)trans-115.2134.8-175.2-65.2-85.3000111.1Y123 F124 F127 V161 Q164 I168 W172 C173 C175Y123-H166 HydrophobicContact CE1-CB 3.66Å; Y123-H166 AromaticContact CE1-CG 3.82Å; Y123-H166 AromaticContact CE1-ND1 3.45Å; Y123-H166 WeakPolarHBondContact CE1-ND1 3.04Å; Y123-H166 AromaticContact CZ-ND1 3.82Å; Y123-H166 WeakPolarHBondContact OH-CA 3.45Å; Y123-H166 VanDerWaalsContact OH-CB 3.27Å; Y123-H166 WeakPolarHBondContact OH-CB 3.37Å; Y123-H166 PolarHBondContact OH-ND1 3.37Å; F124-H166 AromaticContact CE1-ND1 3.96Å; F127-H166 AromaticContact CE2-CE1 3.98Å; F127-H166 AromaticContact CE2-ND1 3.76Å; F127-H166 AromaticContact CZ-CE1 3.79Å; F127-H166 AromaticContact CZ-ND1 3.64Å; V161-H166 WeakPolarHBondContact CG1-NE2 3.47Å; V161-H166 PolarHBondContact O-NE2 2.82Å; Q164-H166 PolarHBondContact O-CD2 3.12Å; Q164-H166 PolarHBondContact O-NE2 3.37Å; H166-I168 HydrophobicContact CB-CD1 4.28Å; H166-I168 HydrophobicContact CB-CG1 4.25Å; H166-W172 CarbonylContact O-C 3.52Å; H166-W172 WeakPolarHBondContact O-CA 3.33Å; H166-C173 PolarHBondContact N-O 3.43Å; H166-C173 PolarHBondContact O-N 3.49Å; H166-C175 PolarHBondContact CD2-SG 2.65Å
167M84.7Confident80.9Confident75 Ų7560.2 Ų60.237%0.36930%0.302SS..EExtended strand (participates in β ladder)trans-97.3104.4175.9-177.466.580.400109.1Y123 R171 W172Y123-M167 WeakPolarHBondContact CE2-O 3.32Å; Y123-M167 PolarHBondContact OH-N 2.86Å; M167-R171 VanDerWaalsContact SD-C 3.59Å; M167-R171 PolarHBondContact SD-N 2.83Å; M167-R171 VanDerWaalsContact SD-N 3.44Å; M167-W172 HydrophobicContact CB-CE3 4.26Å; M167-W172 HydrophobicContact CB-CH2 4.48Å; M167-W172 HydrophobicContact CB-CZ3 4.12Å; M167-W172 HydrophobicContact CE-CD2 3.62Å; M167-W172 HydrophobicContact CE-CE3 4.22Å; M167-W172 HydrophobicContact CE-CG 4.05Å; M167-W172 HydrophobicContact CE-CH2 4.08Å; M167-W172 HydrophobicContact CE-CZ2 3.46Å; M167-W172 VanDerWaalsContact CE-CZ2 3.46Å; M167-W172 HydrophobicContact CE-CZ3 4.42Å; M167-W172 VanDerWaalsContact CE-NE1 3.34Å; M167-W172 HydrophobicContact SD-CD2 4.33Å; M167-W172 HydrophobicContact SD-CG 4.49Å
168I85.9Confident80.4Confident5 Ų560.9 Ų60.93%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-118.9121.2-176.9-54.5174.7000108.3V108 L111 P112 T115 L120 Y123 F124 H166 G170 R171 C173V108-I168 HydrophobicContact CG1-CD1 4.4Å; L111-I168 HydrophobicContact CD2-CD1 3.85Å; L111-I168 HydrophobicContact CD2-CG2 4.46Å; P112-I168 WeakPolarHBondContact CG-O 3.49Å; T115-I168 HydrophobicContact CG2-CG2 3.87Å; L120-I168 HydrophobicContact CD2-CD1 4.04Å; Y123-I168 HydrophobicContact CD1-CD1 3.92Å; Y123-I168 HydrophobicContact CD1-CG1 3.86Å; Y123-I168 HydrophobicContact CD2-CG1 4.37Å; Y123-I168 HydrophobicContact CE1-CD1 4.03Å; Y123-I168 HydrophobicContact CE1-CG1 3.82Å; Y123-I168 HydrophobicContact CE2-CG1 4.33Å; Y123-I168 HydrophobicContact CG-CG1 4.14Å; F124-I168 HydrophobicContact CE2-CD1 4.14Å; F124-I168 HydrophobicContact CZ-CD1 4.12Å; H166-I168 HydrophobicContact CB-CD1 4.28Å; H166-I168 HydrophobicContact CB-CG1 4.25Å; I168-G170 PolarHBondContact O-N 3.48Å; I168-G170 VanDerWaalsContact O-N 3.14Å; I168-R171 PolarHBondContact N-O 3.34Å; I168-R171 PolarHBondContact O-N 2.93Å; I168-C173 HydrophobicContact CD1-CB 4.17Å
169D81.2Confident79.4Confident75 Ų7568 Ų6840%0.40135%0.345SS..THydrogen-bonded Turntrans44.739.6-172.4-52.5-47000115.1P112 T115 R171P112-D169 HydrophobicContact CG-CB 3.98Å; T115-D169 PolarHBondContact OG1-OD2 2.93Å; D169-R171 VanDerWaalsContact C-N 3.34Å
170G79.2Confident78.2Confident70 Ų7069.5 Ų69.572%0.72236%0.358SS*.THydrogen-bonded Turntrans79.213.3179.800000114.6I168I168-G170 PolarHBondContact O-N 3.48Å; I168-G170 VanDerWaalsContact O-N 3.14Å
171R80.5Confident76.5Confident128 Ų12872.4 Ų72.448%0.48337%0.371SS..EExtended strand (participates in β ladder)trans-120.6132.8173.5-169.4167.9178.5156.52.2111.6G110 P112 M167 I168 D169 C173G110-R171 WeakPolarHBondContact O-CD 3.35Å; G110-R171 WeakPolarHBondContact O-CG 3.24Å; G110-R171 PolarHBondContact O-NE 3.34Å; P112-R171 HydrophobicContact CG-CB 3.81Å; M167-R171 VanDerWaalsContact SD-C 3.59Å; M167-R171 PolarHBondContact SD-N 2.83Å; M167-R171 VanDerWaalsContact SD-N 3.44Å; I168-R171 PolarHBondContact N-O 3.34Å; I168-R171 PolarHBondContact O-N 2.93Å; D169-R171 VanDerWaalsContact C-N 3.34Å; R171-C173 PolarHBondContact O-N 2.89Å; R171-C173 PolarHBondContact O-SG 3.36Å; R171-C173 VanDerWaalsContact O-SG 3.34Å
172W82.8Confident74.4Confident138 Ų13879 Ų7952%0.52340%0.401SS..EExtended strand (participates in β ladder)trans-68.7125.5170.9-71.1112.1000111.2R165 H166 M167R165-W172 HydrophobicContact CB-CE3 3.82Å; R165-W172 HydrophobicContact CB-CZ3 4.11Å; H166-W172 CarbonylContact O-C 3.52Å; H166-W172 WeakPolarHBondContact O-CA 3.33Å; M167-W172 HydrophobicContact CB-CE3 4.26Å; M167-W172 HydrophobicContact CB-CH2 4.48Å; M167-W172 HydrophobicContact CB-CZ3 4.12Å; M167-W172 HydrophobicContact CE-CD2 3.62Å; M167-W172 HydrophobicContact CE-CE3 4.22Å; M167-W172 HydrophobicContact CE-CG 4.05Å; M167-W172 HydrophobicContact CE-CH2 4.08Å; M167-W172 HydrophobicContact CE-CZ2 3.46Å; M167-W172 VanDerWaalsContact CE-CZ2 3.46Å; M167-W172 HydrophobicContact CE-CZ3 4.42Å; M167-W172 VanDerWaalsContact CE-NE1 3.34Å; M167-W172 HydrophobicContact SD-CD2 4.33Å; M167-W172 HydrophobicContact SD-CG 4.49Å
173C84.9Confident72.3Confident0 Ų080 Ų800%041%0.414CS..EExtended strand (participates in β ladder)trans-122.6150.4-178.7-57.20000110.1V108 L109 G110 L111 H166 I168 R171V108-C173 HydrophobicContact CG1-CB 4.15Å; L109-C173 VanDerWaalsContact O-CA 3.27Å; L109-C173 WeakPolarHBondContact O-CA 3.47Å; L109-C173 WeakPolarHBondContact O-CB 3.21Å; G110-C173 PolarHBondContact O-SG 3.29Å; G110-C173 VanDerWaalsContact O-SG 3.41Å; L111-C173 HydrophobicContact CD2-CB 4.47Å; H166-C173 PolarHBondContact N-O 3.43Å; H166-C173 PolarHBondContact O-N 3.49Å; I168-C173 HydrophobicContact CD1-CB 4.17Å; R171-C173 PolarHBondContact O-N 2.89Å; R171-C173 PolarHBondContact O-SG 3.36Å; R171-C173 VanDerWaalsContact O-SG 3.34Å
174D78.1Confident70.7Confident48 Ų4881.6 Ų81.626%0.25742%0.422SS..EExtended strand (participates in β ladder)trans-121.1128.8-176.6-69.6-84.8000110.1L109 R165L109-D174 PolarHBondContact N-O 3.25Å; L109-D174 PolarHBondContact O-N 2.95Å; R165-D174 WeakPolarHBondContact CG-OD1 3.4Å; R165-D174 IonicContact CZ-OD1 3.96Å; R165-D174 IonicContact CZ-OD2 3.4Å; R165-D174 IonicContact NE-OD1 2.63Å; R165-D174 PolarHBondContact NE-OD1 2.99Å; R165-D174 IonicContact NE-OD2 2.68Å; R165-D174 PolarHBondContact NE-OD2 3.33Å; R165-D174 IonicContact NH2-OD2 2.86Å; R165-D174 PolarHBondContact NH2-OD2 3.42Å
175C83.8Confident68.9Low5 Ų585.1 Ų85.13%0.03444%0.443CS..EExtended strand (participates in β ladder)trans-102125.4179.9-60.90000110.2L106 I107 F124 V161 H166L106-C175 HydrophobicContact CD1-CB 4.47Å; I107-C175 CarbonylContact O-C 3.58Å; I107-C175 WeakPolarHBondContact O-CA 3.47Å; F124-C175 VanDerWaalsContact CZ-SG 3.57Å; V161-C175 HydrophobicContact CG1-CB 3.75Å; H166-C175 PolarHBondContact CD2-SG 2.65Å
176K79.6Confident67.1Low114 Ų11483.6 Ų83.650%0.49644%0.442SS..EExtended strand (participates in β ladder)trans-140.9164-177.6-61.7-172.5-179.4-175.70111.3L106 I107L106-K176 CarbonylContact C-O 3.58Å; L106-K176 WeakPolarHBondContact CA-O 3.5Å; I107-K176 HydrophobicContact CG2-CB 4.18Å; I107-K176 VanDerWaalsContact CG2-O 3.31Å; I107-K176 WeakPolarHBondContact CG2-O 3.21Å; I107-K176 PolarHBondContact N-O 3.47Å; I107-K176 PolarHBondContact O-N 3.15Å
177L78.3Confident65Low42 Ų4288.2 Ų88.222%0.2247%0.472CS..  trans-69.3129.1164.7-73.1167.8000109.2L106 M162 N179L106-L177 HydrophobicContact CD2-CD2 3.94Å; L106-L177 HydrophobicContact CD2-CG 4.34Å; M162-L177 HydrophobicContact CE-CB 4.47Å; M162-L177 HydrophobicContact CE-CD1 4.04Å; M162-L177 HydrophobicContact CE-CG 3.75Å; M162-L177 HydrophobicContact SD-CD1 4.48Å; M162-L177 HydrophobicContact SD-CD2 4.49Å; M162-L177 HydrophobicContact SD-CG 3.97Å; L177-N179 PolarHBondContact O-N 3.29Å
178P69.8Low63.2Low25 Ų2588.2 Ų88.216%0.16247%0.473CS..  trans-65.2137.2172.824.6-28.6000108.7D105 I107 F149 S180D105-P178 WeakPolarHBondContact O-CD 3.48Å; D105-P178 WeakPolarHBondContact O-CG 3.45Å; I107-P178 HydrophobicContact CB-CB 4.12Å; I107-P178 HydrophobicContact CG2-CB 4.17Å; F149-P178 HydrophobicContact CD1-CG 4.48Å; F149-P178 HydrophobicContact CE1-CB 3.89Å; F149-P178 HydrophobicContact CE1-CG 4.06Å; P178-S180 VanDerWaalsContact C-N 3.33Å; P178-S180 PolarHBondContact O-N 3.46Å
179N60.4Low61.7Low152 Ų15293.8 Ų93.881%0.81349%0.494SS*.  trans-63.1103.5158.2-71.8-6.6000105.8L177 K181L177-N179 PolarHBondContact O-N 3.29Å; N179-K181 PolarHBondContact O-N 3.22Å; N179-K181 VanDerWaalsContact O-N 3.16Å
180S48.3Very low60.8Low89 Ų8991.7 Ų91.762%0.62249%0.485SS*.PPolyproline II helixtrans-47.8125.4-178-74.80000109.6P178 Q182P178-S180 VanDerWaalsContact C-N 3.33Å; P178-S180 PolarHBondContact O-N 3.46Å; S180-Q182 PolarHBondContact O-N 3.34Å
181K43.4Very low60.7Low191 Ų19191.6 Ų91.683%0.8346%0.463SS*.PPolyproline II helixtrans-61.4121170.8-73.4-175.5175.6-176.10107.9N179N179-K181 PolarHBondContact O-N 3.22Å; N179-K181 VanDerWaalsContact O-N 3.16Å
182Q42.8Very low60.9Low139 Ų13988.6 Ų88.665%0.6545%0.453SS*.PPolyproline II helixtrans-64135.4-177-65.7157.9-5.900111S180S180-Q182 PolarHBondContact O-N 3.34Å
183S36.4Very low61Low79 Ų7982.1 Ų82.155%0.55243%0.429SS*.PPolyproline II helixtrans-80.2135.7147.346.80000107.9D185S183-D185 PolarHBondContact O-N 2.62Å; S183-D185 VanDerWaalsContact O-N 3.09Å
184P42.7Very low61.1Low131 Ų13184.8 Ų84.885%0.85144%0.441SS*.THydrogen-bonded Turntrans-68-5.2-172.724-32.2000115.7
185D38.3Very low61.6Low153 Ų15382.5 Ų82.582%0.81843%0.429SS*.THydrogen-bonded Turntrans-112.16.6-169.9-106.1-91.6000115.7S183S183-D185 PolarHBondContact O-N 2.62Å; S183-D185 VanDerWaalsContact O-N 3.09Å
186E42.1Very low61.6Low96 Ų9682.5 Ų82.545%0.44943%0.429SS..SBendtrans-110.6132173.4-89.8-126.295.200111.9L188 R189E186-L188 PolarHBondContact O-N 3.37Å; E186-L188 VanDerWaalsContact O-N 3.15Å; E186-R189 VanDerWaalsContact CD-NH1 3.26Å; E186-R189 IonicContact OE1-CZ 3.74Å; E186-R189 IonicContact OE1-NH1 3.15Å; E186-R189 PolarHBondContact OE1-NH1 2.97Å; E186-R189 IonicContact OE1-NH2 2.94Å; E186-R189 IonicContact OE2-CZ 3.89Å; E186-R189 IonicContact OE2-NH1 2.92Å; E186-R189 PolarHBondContact OE2-NH1 2.82Å; E186-R189 IonicContact OE2-NH2 2.76Å; E186-R189 PolarHBondContact OE2-NH2 2.79Å
187P41.5Very low61.8Low98 Ų9884.1 Ų84.164%0.63643%0.432SS*.  trans-55.2125.6173.123.6-31.2000108.3R189P187-R189 WeakPolarHBondContact O-CG 3.32Å; P187-R189 PolarHBondContact O-N 2.96Å
188L47.3Very low62Low75 Ų7582.4 Ų82.439%0.39342%0.424SS..  trans-36.988-171.9-147.478.8000113E186 S190E186-L188 PolarHBondContact O-N 3.37Å; E186-L188 VanDerWaalsContact O-N 3.15Å; L188-S190 PolarHBondContact O-N 3.3Å
189R54.2Low62.6Low121 Ų12183.2 Ų83.246%0.45743%0.429SS..  trans-77.467.2173-62.4-133.1-80.5-81.5-21.1109.4E186 P187 D237 Q241E186-R189 VanDerWaalsContact CD-NH1 3.26Å; E186-R189 IonicContact OE1-CZ 3.74Å; E186-R189 IonicContact OE1-NH1 3.15Å; E186-R189 PolarHBondContact OE1-NH1 2.97Å; E186-R189 IonicContact OE1-NH2 2.94Å; E186-R189 IonicContact OE2-CZ 3.89Å; E186-R189 IonicContact OE2-NH1 2.92Å; E186-R189 PolarHBondContact OE2-NH1 2.82Å; E186-R189 IonicContact OE2-NH2 2.76Å; E186-R189 PolarHBondContact OE2-NH2 2.79Å; P187-R189 WeakPolarHBondContact O-CG 3.32Å; P187-R189 PolarHBondContact O-N 2.96Å; R189-D237 HydrophobicContact CB-CB 4.4Å; R189-D237 VanDerWaalsContact CD-OD2 3.25Å; R189-D237 WeakPolarHBondContact CD-OD2 3.14Å; R189-D237 IonicContact NE-OD2 2.73Å; R189-D237 PolarHBondContact NE-OD2 3.29Å; R189-Q241 VanDerWaalsContact CD-NE2 3.25Å; R189-Q241 VanDerWaalsContact CG-NE2 3.26Å
190S63.6Low63.4Low31 Ų3183.2 Ų83.222%0.21742%0.423CS..  trans-79.3124.1176.1176.40000109.1L188 K192 A240L188-S190 PolarHBondContact O-N 3.3Å; S190-K192 PolarHBondContact O-N 3.23Å; S190-K192 PolarHBondContact OG-N 3.46Å; S190-K192 PolarHBondContact OG-O 3.24Å; S190-A240 WeakPolarHBondContact O-CB 3.09Å
191R77.2Confident64.7Low68 Ų6885 Ų8526%0.25743%0.426SS..SBendtrans-65.1-13.6166.1-74.3178.1-73.7-179.1-2.3113T233 F234 A235 D237R191-T233 HydrophobicContact CB-CG2 4.38Å; R191-T233 WeakPolarHBondContact O-CA 3.48Å; R191-F234 WeakPolarHBondContact CB-O 3.48Å; R191-F234 PolarHBondContact O-N 3.16Å; R191-A235 WeakPolarHBondContact CD-O 3.27Å; R191-D237 HydrophobicContact CG-CB 3.81Å
192K82.8Confident66.4Low66 Ų6676.2 Ų76.229%0.28739%0.388SS..EExtended strand (participates in β ladder)trans-100.8128.9178.9-176.6175.4-92-1700110.5S190 F231 V232 T233 A260S190-K192 PolarHBondContact O-N 3.23Å; S190-K192 PolarHBondContact OG-N 3.46Å; S190-K192 PolarHBondContact OG-O 3.24Å; K192-F231 HydrophobicContact CD-CB 3.9Å; K192-F231 HydrophobicContact CD-CD1 3.92Å; K192-F231 HydrophobicContact CD-CG 4.15Å; K192-F231 HydrophobicContact CG-CB 4.15Å; K192-F231 HydrophobicContact CG-CD1 4.24Å; K192-V232 CarbonylContact C-O 3.58Å; K192-V232 VanDerWaalsContact CA-O 3.32Å; K192-V232 WeakPolarHBondContact CA-O 3.42Å; K192-T233 HydrophobicContact CB-CG2 4.45Å; K192-T233 WeakPolarHBondContact CE-OG1 3.49Å; K192-A260 HydrophobicContact CB-CB 3.99Å; K192-A260 HydrophobicContact CD-CB 3.99Å; K192-A260 HydrophobicContact CG-CB 3.54Å; K192-A260 WeakPolarHBondContact O-CB 3.21Å; K192-A260 PolarHBondContact O-N 3.05Å
193V86.6Confident68.3Low2 Ų272.5 Ų72.51%0.01238%0.375CS..EExtended strand (participates in β ladder)trans-106.7148.1170.9-58.40000110.5V195 F231 V232 F234 A240 I257V193-V195 HydrophobicContact CG2-CG2 4.25Å; V193-F231 WeakPolarHBondContact O-CA 3.34Å; V193-V232 HydrophobicContact CG2-CB 3.82Å; V193-V232 WeakPolarHBondContact CG2-O 3.4Å; V193-V232 PolarHBondContact N-O 3.01Å; V193-V232 PolarHBondContact O-N 3.14Å; V193-F234 HydrophobicContact CG1-CD2 4.48Å; V193-F234 HydrophobicContact CG1-CE2 4.31Å; V193-F234 HydrophobicContact CG2-CD2 4.39Å; V193-F234 HydrophobicContact CG2-CE2 3.77Å; V193-A240 HydrophobicContact CG1-CB 3.65Å; V193-A240 WeakPolarHBondContact CG1-O 3.42Å; V193-I257 HydrophobicContact CB-CG2 3.75Å; V193-I257 HydrophobicContact CG1-CG2 4.12Å; V193-I257 HydrophobicContact CG2-CG2 4.08Å
194F86.9Confident70.3Confident56 Ų5670.6 Ų70.625%0.24636%0.364CS..EExtended strand (participates in β ladder)trans-91.6128.4168.2171.7-88.1000108.1G196 F229 F231 I257 S258 A260F194-G196 VanDerWaalsContact CE1-CA 3.42Å; F194-F229 HydrophobicContact CD2-CB 4.3Å; F194-F229 AromaticContact CD2-CD2 3.99Å; F194-F229 HydrophobicContact CD2-CD2 3.99Å; F194-F229 HydrophobicContact CD2-CG 4.34Å; F194-F229 HydrophobicContact CE1-CB 4.26Å; F194-F229 HydrophobicContact CE2-CB 3.41Å; F194-F229 VanDerWaalsContact CE2-CB 3.41Å; F194-F229 HydrophobicContact CE2-CD1 4.03Å; F194-F229 AromaticContact CE2-CD2 3.39Å; F194-F229 HydrophobicContact CE2-CD2 3.39Å; F194-F229 HydrophobicContact CE2-CE2 4.07Å; F194-F229 AromaticContact CE2-CG 3.37Å; F194-F229 HydrophobicContact CE2-CG 3.37Å; F194-F229 HydrophobicContact CZ-CB 3.38Å; F194-F229 HydrophobicContact CZ-CD1 4.26Å; F194-F229 HydrophobicContact CZ-CD2 4.25Å; F194-F229 AromaticContact CZ-CG 3.77Å; F194-F229 HydrophobicContact CZ-CG 3.77Å; F194-F231 HydrophobicContact CB-CD1 4.4Å; F194-F231 HydrophobicContact CB-CE1 4.34Å; F194-F231 HydrophobicContact CD2-CD1 4.39Å; F194-F231 AromaticContact CD2-CE1 3.82Å; F194-F231 HydrophobicContact CD2-CE1 3.82Å; F194-F231 HydrophobicContact CD2-CZ 4.18Å; F194-I257 CarbonylContact O-C 3.41Å; F194-I257 WeakPolarHBondContact O-CA 3.49Å; F194-S258 VanDerWaalsContact CD1-OG 3.26Å; F194-S258 WeakPolarHBondContact CD1-OG 3.25Å; F194-S258 PolarHBondContact N-O 2.87Å; F194-S258 PolarHBondContact O-N 3.34Å; F194-A260 HydrophobicContact CB-CB 4.45Å
195V87.5Confident72Confident0 Ų071 Ų710%036%0.355CS..EExtended strand (participates in β ladder)trans-109.8104.5175.9-171.60000106.8V193 C198 F211 F229 A230 V232 V255V193-V195 HydrophobicContact CG2-CG2 4.25Å; V195-C198 PolarHBondContact O-SG 3.16Å; V195-F211 HydrophobicContact CG1-CE2 4.32Å; V195-F211 HydrophobicContact CG1-CZ 4.25Å; V195-F211 HydrophobicContact CG2-CE2 3.83Å; V195-F211 HydrophobicContact CG2-CZ 3.81Å; V195-F229 CarbonylContact O-C 3.51Å; V195-F229 WeakPolarHBondContact O-CA 3.35Å; V195-F229 WeakPolarHBondContact O-CB 3.47Å; V195-A230 HydrophobicContact CB-CB 4.38Å; V195-A230 PolarHBondContact N-O 2.98Å; V195-A230 PolarHBondContact O-N 2.94Å; V195-V232 HydrophobicContact CG2-CB 4.36Å; V195-V232 HydrophobicContact CG2-CG2 3.72Å; V195-V255 HydrophobicContact CG1-CB 3.88Å; V195-V255 HydrophobicContact CG1-CG1 4.42Å; V195-V255 HydrophobicContact CG1-CG2 3.96Å
196G84.6Confident74Confident5 Ų566.3 Ų66.35%0.05233%0.328CS..EExtended strand (participates in β ladder)trans-94.2165.3179.300000112.7F194 C198 V255 H256F194-G196 VanDerWaalsContact CE1-CA 3.42Å; G196-C198 PolarHBondContact O-N 3.31Å; G196-V255 WeakPolarHBondContact O-CA 3.29Å; G196-V255 WeakPolarHBondContact O-CB 3.3Å; G196-H256 PolarHBondContact N-O 2.78Å; G196-H256 PolarHBondContact O-N 3.4Å
197R83.4Confident76Confident147 Ų14761.8 Ų61.856%0.55531%0.307SS*.SBendtrans61.426.8-178-49-179.4-173.1141.54113.3A228 D247R197-A228 PolarHBondContact N-O 3.41Å; R197-D247 IonicContact NH1-OD1 2.72Å; R197-D247 PolarHBondContact NH1-OD1 3.47Å
198C82.7Confident77.9Confident7 Ų761.3 Ų61.35%0.04730%0.296CS..  trans-65.8151.5170.2-56.80000109.8V195 G196 M202 F226 A228V195-C198 PolarHBondContact O-SG 3.16Å; G196-C198 PolarHBondContact O-N 3.31Å; C198-M202 HydrophobicContact CB-SD 3.96Å; C198-F226 HydrophobicContact CB-CZ 4.37Å; C198-F226 VanDerWaalsContact O-CZ 3.32Å; C198-F226 WeakPolarHBondContact O-CZ 3.17Å; C198-A228 PolarHBondContact N-O 3.42Å; C198-A228 WeakPolarHBondContact O-CA 3.44Å; C198-A228 WeakPolarHBondContact O-CB 3.26Å
199T81.8Confident79.4Confident42 Ų4264.7 Ų64.726%0.25831%0.31SS..  trans-100.5161.1168.956.60000111.2D201 M202 F226 I253T199-D201 PolarHBondContact O-N 3.19Å; T199-M202 WeakPolarHBondContact O-CB 3.22Å; T199-M202 PolarHBondContact O-N 3.27Å; T199-F226 WeakPolarHBondContact O-CE2 3.38Å; T199-F226 VanDerWaalsContact O-CZ 3.25Å; T199-F226 WeakPolarHBondContact O-CZ 3.39Å; T199-I253 HydrophobicContact CG2-CD1 3.62Å; T199-I253 HydrophobicContact CG2-CG1 4.39Å; T199-I253 HydrophobicContact CG2-CG2 4.18Å; T199-I253 WeakPolarHBondContact OG1-CD1 3.46Å
200E77.1Confident80.7Confident151 Ų15161.2 Ų61.271%0.70630%0.298SS*.THydrogen-bonded Turntrans-65.3-25.2-178-170.7167.9-160.500112M202 F226E200-M202 PolarHBondContact O-N 2.82Å; E200-F226 HydrophobicContact CB-CD1 3.91Å; E200-F226 HydrophobicContact CB-CE1 3.93Å; E200-F226 HydrophobicContact CB-CG 4.24Å; E200-F226 HydrophobicContact CB-CZ 4.27Å; E200-F226 HydrophobicContact CG-CB 4.49Å; E200-F226 HydrophobicContact CG-CD1 4.29Å; E200-F226 HydrophobicContact CG-CG 4.21Å
201D76.2Confident81.7Confident127 Ų12759.7 Ų59.768%0.67929%0.288SS*.THydrogen-bonded Turntrans-70.7-12173-58.2-82.2000114.3T199 T203T199-D201 PolarHBondContact O-N 3.19Å; D201-T203 PolarHBondContact O-N 3.06Å
202M77.8Confident81.8Confident6 Ų660.2 Ų60.23%0.0330%0.3CS..  trans-83.2113.2177.8-68.2-179.7178.100110.5C198 T199 E200 I222 I250 I253 V255C198-M202 HydrophobicContact CB-SD 3.96Å; T199-M202 WeakPolarHBondContact O-CB 3.22Å; T199-M202 PolarHBondContact O-N 3.27Å; E200-M202 PolarHBondContact O-N 2.82Å; M202-I222 VanDerWaalsContact O-CD1 3.23Å; M202-I222 WeakPolarHBondContact O-CD1 3.39Å; M202-I250 HydrophobicContact CE-CB 3.88Å; M202-I250 HydrophobicContact CE-CG2 4.08Å; M202-I250 WeakPolarHBondContact CE-O 3.19Å; M202-I250 HydrophobicContact SD-CG2 4.49Å; M202-I253 HydrophobicContact CE-CB 3.58Å; M202-I253 HydrophobicContact CE-CD1 3.69Å; M202-I253 HydrophobicContact CE-CG1 4.25Å; M202-I253 HydrophobicContact CE-CG2 3.72Å; M202-V255 HydrophobicContact CE-CG1 3.81Å; M202-V255 HydrophobicContact SD-CG1 3.96Å
203T83.7Confident81.6Confident61 Ų6162.9 Ų62.937%0.37431%0.314SS..  trans-86.8159.9177.662.70000112.3D201 E205 E206 L207D201-T203 PolarHBondContact O-N 3.06Å; T203-E205 PolarHBondContact O-N 2.89Å; T203-E206 PolarHBondContact N-OE2 3.01Å; T203-E206 PolarHBondContact O-N 2.88Å; T203-E206 WeakPolarHBondContact OG1-CB 3.1Å; T203-E206 VanDerWaalsContact OG1-CD 3.3Å; T203-E206 WeakPolarHBondContact OG1-CG 3.38Å; T203-E206 PolarHBondContact OG1-N 3.49Å; T203-E206 PolarHBondContact OG1-OE2 3.25Å; T203-L207 PolarHBondContact O-N 2.75Å; T203-L207 VanDerWaalsContact O-N 3.09Å
204A79.5Confident81.2Confident39 Ų3967.2 Ų67.232%0.32233%0.331SS..Hα-helixtrans-61.5-35.6176.200000111.9Q208 V220 I222A204-Q208 WeakPolarHBondContact O-CB 3.2Å; A204-Q208 PolarHBondContact O-N 3.27Å; A204-V220 HydrophobicContact CB-CB 4.23Å; A204-V220 HydrophobicContact CB-CG1 3.92Å; A204-I222 HydrophobicContact CB-CD1 4.21Å; A204-I222 HydrophobicContact CB-CG1 4.42Å
205E78Confident80.6Confident141 Ų14165.4 Ų65.466%0.65933%0.328SS*.Hα-helixtrans-65-43.7177.6-62.7175167.400111.5T203 Q208 Q209T203-E205 PolarHBondContact O-N 2.89Å; E205-Q208 WeakPolarHBondContact O-CB 3.42Å; E205-Q208 PolarHBondContact O-N 2.75Å; E205-Q209 WeakPolarHBondContact O-CG 3.35Å; E205-Q209 PolarHBondContact O-N 2.77Å
206E80.5Confident80Confident54 Ų5470 Ų7025%0.25235%0.349SS..Hα-helixtrans-65.7-44.1177.2-72.9168.5141.700112T203 Q208 Q209 F210 K251T203-E206 PolarHBondContact N-OE2 3.01Å; T203-E206 PolarHBondContact O-N 2.88Å; T203-E206 WeakPolarHBondContact OG1-CB 3.1Å; T203-E206 VanDerWaalsContact OG1-CD 3.3Å; T203-E206 WeakPolarHBondContact OG1-CG 3.38Å; T203-E206 PolarHBondContact OG1-N 3.49Å; T203-E206 PolarHBondContact OG1-OE2 3.25Å; E206-Q208 VanDerWaalsContact C-N 3.3Å; E206-Q208 PolarHBondContact O-N 2.94Å; E206-Q209 PolarHBondContact O-N 2.88Å; E206-F210 VanDerWaalsContact O-CB 3.31Å; E206-F210 WeakPolarHBondContact O-CB 3.27Å; E206-F210 PolarHBondContact O-N 2.97Å; E206-K251 IonicContact OE1-NZ 2.78Å; E206-K251 PolarHBondContact OE1-NZ 3.45Å; E206-K251 IonicContact OE2-NZ 2.7Å
207L83Confident79.7Confident0 Ų070.4 Ų70.40%035%0.351CS..Hα-helixtrans-60.5-43.4173.9-71173.7000110.3T203 F210 F211 V220 I222 A230 I250T203-L207 PolarHBondContact O-N 2.75Å; T203-L207 VanDerWaalsContact O-N 3.09Å; L207-F210 PolarHBondContact O-N 3.47Å; L207-F211 HydrophobicContact CB-CD2 4.39Å; L207-F211 HydrophobicContact CD2-CE2 4.05Å; L207-F211 WeakPolarHBondContact O-CB 3.26Å; L207-F211 WeakPolarHBondContact O-CD2 3.5Å; L207-F211 PolarHBondContact O-N 2.82Å; L207-V220 HydrophobicContact CB-CG1 3.89Å; L207-V220 HydrophobicContact CD1-CG1 3.98Å; L207-I222 HydrophobicContact CD1-CD1 3.91Å; L207-I222 HydrophobicContact CD1-CG1 4.15Å; L207-A230 HydrophobicContact CD1-CB 3.47Å; L207-A230 VanDerWaalsContact CD1-CB 3.47Å; L207-I250 HydrophobicContact CD2-CD1 3.69Å
208Q81.4Confident79.3Confident88 Ų8866.1 Ų66.141%0.41134%0.341SS..Hα-helixtrans-60.3-49.8177.4-172.4176.237.300111.7A204 E205 E206 F210 F211 C212 V217 V220A204-Q208 WeakPolarHBondContact O-CB 3.2Å; A204-Q208 PolarHBondContact O-N 3.27Å; E205-Q208 WeakPolarHBondContact O-CB 3.42Å; E205-Q208 PolarHBondContact O-N 2.75Å; E206-Q208 VanDerWaalsContact C-N 3.3Å; E206-Q208 PolarHBondContact O-N 2.94Å; Q208-F210 PolarHBondContact O-N 2.79Å; Q208-F211 PolarHBondContact O-N 2.89Å; Q208-C212 WeakPolarHBondContact O-CB 3.37Å; Q208-C212 PolarHBondContact O-N 2.72Å; Q208-V217 HydrophobicContact CG-CB 4.05Å; Q208-V217 HydrophobicContact CG-CG1 3.97Å; Q208-V220 HydrophobicContact CB-CG2 3.8Å; Q208-V220 HydrophobicContact CG-CG2 4.36Å
209Q78.4Confident78.8Confident147 Ų14769.4 Ų69.469%0.68736%0.358SS*.Hα-helixtrans-60.1-45.6178.4-75.3178.32.700111.7E205 E206 C212E205-Q209 WeakPolarHBondContact O-CG 3.35Å; E205-Q209 PolarHBondContact O-N 2.77Å; E206-Q209 PolarHBondContact O-N 2.88Å; Q209-C212 WeakPolarHBondContact O-CB 3.36Å; Q209-C212 PolarHBondContact O-N 3.36Å
210F82.9Confident78.8Confident47 Ų4768.3 Ų68.321%0.20635%0.351CS..Hα-helixtrans-63.9-44.6178.9-177.4-93000111.7E206 L207 Q208 C212 Q213 Y214 L248 I250E206-F210 VanDerWaalsContact O-CB 3.31Å; E206-F210 WeakPolarHBondContact O-CB 3.27Å; E206-F210 PolarHBondContact O-N 2.97Å; L207-F210 PolarHBondContact O-N 3.47Å; Q208-F210 PolarHBondContact O-N 2.79Å; F210-C212 VanDerWaalsContact C-N 3.32Å; F210-C212 PolarHBondContact O-N 3.37Å; F210-Q213 VanDerWaalsContact CE2-NE2 3.29Å; F210-Q213 VanDerWaalsContact O-CD 3.3Å; F210-Q213 WeakPolarHBondContact O-CG 2.73Å; F210-Q213 PolarHBondContact O-N 2.83Å; F210-Q213 PolarHBondContact O-NE2 2.98Å; F210-Y214 HydrophobicContact CD1-CE2 4.38Å; F210-Y214 AromaticContact CE1-CE2 3.83Å; F210-Y214 HydrophobicContact CE1-CE2 3.83Å; F210-Y214 HydrophobicContact CZ-CE2 4.27Å; F210-L248 HydrophobicContact CE1-CB 4.11Å; F210-L248 HydrophobicContact CE1-CD1 3.71Å; F210-L248 HydrophobicContact CZ-CB 4.27Å; F210-L248 HydrophobicContact CZ-CD1 4.38Å; F210-I250 HydrophobicContact CD1-CD1 3.59Å; F210-I250 HydrophobicContact CD1-CG1 3.7Å; F210-I250 HydrophobicContact CD2-CG1 4.14Å; F210-I250 HydrophobicContact CE1-CD1 3.86Å; F210-I250 HydrophobicContact CE1-CG1 3.61Å; F210-I250 HydrophobicContact CE2-CG1 4.07Å; F210-I250 HydrophobicContact CG-CD1 4.07Å; F210-I250 HydrophobicContact CG-CG1 3.96Å; F210-I250 HydrophobicContact CZ-CG1 3.81Å
211F84.1Confident79Confident0 Ų065.9 Ų65.90%034%0.339CS..Hα-helixtrans-75.7-20.3-178.5-78.5-65.8000113.8V195 L207 Q208 Q213 Y214 G215 V217 V232 F234 L243 L248 I250 I257V195-F211 HydrophobicContact CG1-CE2 4.32Å; V195-F211 HydrophobicContact CG1-CZ 4.25Å; V195-F211 HydrophobicContact CG2-CE2 3.83Å; V195-F211 HydrophobicContact CG2-CZ 3.81Å; L207-F211 HydrophobicContact CB-CD2 4.39Å; L207-F211 HydrophobicContact CD2-CE2 4.05Å; L207-F211 WeakPolarHBondContact O-CB 3.26Å; L207-F211 WeakPolarHBondContact O-CD2 3.5Å; L207-F211 PolarHBondContact O-N 2.82Å; Q208-F211 PolarHBondContact O-N 2.89Å; F211-Q213 PolarHBondContact O-N 3.01Å; F211-Q213 VanDerWaalsContact O-N 3.15Å; F211-Y214 HydrophobicContact CD1-CD2 4.14Å; F211-Y214 PolarHBondContact O-N 2.64Å; F211-G215 PolarHBondContact O-N 3.05Å; F211-V217 HydrophobicContact CB-CG2 3.53Å; F211-V232 HydrophobicContact CB-CG1 4.13Å; F211-V232 HydrophobicContact CD2-CB 4.36Å; F211-V232 HydrophobicContact CD2-CG1 4.11Å; F211-V232 HydrophobicContact CD2-CG2 3.67Å; F211-V232 HydrophobicContact CE2-CG2 3.82Å; F211-V232 HydrophobicContact CG-CG1 4.12Å; F211-V232 HydrophobicContact CG-CG2 4.47Å; F211-F234 HydrophobicContact CB-CE1 3.99Å; F211-F234 HydrophobicContact CB-CZ 3.82Å; F211-F234 AromaticContact CD1-CZ 3.67Å; F211-F234 HydrophobicContact CD1-CZ 3.67Å; F211-F234 AromaticContact CG-CZ 3.97Å; F211-F234 HydrophobicContact CG-CZ 3.97Å; F211-L243 HydrophobicContact CD1-CD1 4.06Å; F211-L243 HydrophobicContact CE1-CD1 4.24Å; F211-L248 HydrophobicContact CE1-CD1 3.75Å; F211-L248 HydrophobicContact CZ-CD1 4.35Å; F211-I250 HydrophobicContact CE2-CD1 4.18Å; F211-I250 HydrophobicContact CZ-CD1 4.4Å; F211-I257 HydrophobicContact CE1-CD1 3.47Å; F211-I257 VanDerWaalsContact CE1-CD1 3.47Å; F211-I257 HydrophobicContact CZ-CD1 3.74Å; F211-I257 HydrophobicContact CZ-CG1 4.39Å
212C78.1Confident79.3Confident78 Ų7861.7 Ų61.753%0.52732%0.316SS..Hα-helixtrans-58.2-26174.6-159.50000112.8Q208 Q209 F210 Y214 G215Q208-C212 WeakPolarHBondContact O-CB 3.37Å; Q208-C212 PolarHBondContact O-N 2.72Å; Q209-C212 WeakPolarHBondContact O-CB 3.36Å; Q209-C212 PolarHBondContact O-N 3.36Å; F210-C212 VanDerWaalsContact C-N 3.32Å; F210-C212 PolarHBondContact O-N 3.37Å; C212-Y214 PolarHBondContact O-N 2.84Å; C212-G215 WeakPolarHBondContact CA-O 3.39Å; C212-G215 PolarHBondContact O-N 2.87Å
213Q78.9Confident79.2Confident122 Ų12261.8 Ų61.857%0.5732%0.317SS*.THydrogen-bonded Turntrans-67.2-23.7176.881.9-167.3-48.600113.4F210 F211F210-Q213 VanDerWaalsContact CE2-NE2 3.29Å; F210-Q213 VanDerWaalsContact O-CD 3.3Å; F210-Q213 WeakPolarHBondContact O-CG 2.73Å; F210-Q213 PolarHBondContact O-N 2.83Å; F210-Q213 PolarHBondContact O-NE2 2.98Å; F211-Q213 PolarHBondContact O-N 3.01Å; F211-Q213 VanDerWaalsContact O-N 3.15Å
214Y77.6Confident79Confident93 Ų9368.3 Ų68.337%0.36534%0.34SS..THydrogen-bonded Turntrans-97.7-25.3-179.6-60.1-75.9000112.5F210 F211 C212 V239 L243 L248F210-Y214 HydrophobicContact CD1-CE2 4.38Å; F210-Y214 AromaticContact CE1-CE2 3.83Å; F210-Y214 HydrophobicContact CE1-CE2 3.83Å; F210-Y214 HydrophobicContact CZ-CE2 4.27Å; F211-Y214 HydrophobicContact CD1-CD2 4.14Å; F211-Y214 PolarHBondContact O-N 2.64Å; C212-Y214 PolarHBondContact O-N 2.84Å; Y214-V239 WeakPolarHBondContact O-CG1 3.17Å; Y214-L243 HydrophobicContact CD1-CD2 3.76Å; Y214-L243 HydrophobicContact CD2-CD1 4.39Å; Y214-L243 HydrophobicContact CD2-CD2 4.17Å; Y214-L243 HydrophobicContact CE1-CD2 4.11Å; Y214-L243 HydrophobicContact CE2-CD2 4.49Å; Y214-L243 HydrophobicContact CG-CD1 4.21Å; Y214-L243 HydrophobicContact CG-CD2 3.8Å; Y214-L248 HydrophobicContact CE2-CD1 3.74Å
215G74.9Confident79.1Confident18 Ų1871.1 Ų71.119%0.18636%0.355CS..SBendtrans171.8169.8177.200000112.2F211 C212 V217F211-G215 PolarHBondContact O-N 3.05Å; C212-G215 WeakPolarHBondContact CA-O 3.39Å; C212-G215 PolarHBondContact O-N 2.87Å; G215-V217 PolarHBondContact O-N 3.07Å
216E74.8Confident79.2Confident96 Ų9667.6 Ų67.645%0.44934%0.337SS..  trans-64.3117.7-178.3-174-178.6175.400111.3Q101 F234 A235Q101-E216 VanDerWaalsContact NE2-CD 3.32Å; Q101-E216 PolarHBondContact NE2-OE1 2.73Å; Q101-E216 VanDerWaalsContact NE2-OE1 3.09Å; Q101-E216 PolarHBondContact NE2-OE2 2.63Å; E216-F234 CarbonylContact O-C 3.59Å; E216-F234 WeakPolarHBondContact O-CA 3.43Å; E216-A235 HydrophobicContact CB-CB 3.95Å; E216-A235 HydrophobicContact CG-CB 4.23Å; E216-A235 PolarHBondContact O-N 3.18Å
217V78.4Confident79.2Confident15 Ų1572 Ų729%0.09135%0.352CS..EExtended strand (participates in β ladder)trans-91116.1179.9-179.40000109.7Q208 F211 G215 V220 V232 F234Q208-V217 HydrophobicContact CG-CB 4.05Å; Q208-V217 HydrophobicContact CG-CG1 3.97Å; F211-V217 HydrophobicContact CB-CG2 3.53Å; G215-V217 PolarHBondContact O-N 3.07Å; V217-V220 HydrophobicContact CG1-CG2 3.59Å; V217-V232 HydrophobicContact CG1-CG1 3.78Å; V217-V232 HydrophobicContact CG2-CG1 4.26Å; V217-F234 HydrophobicContact CG2-CD1 4.14Å; V217-F234 HydrophobicContact CG2-CE1 3.8Å
218V75Confident79.2Confident57 Ų5774.1 Ų74.135%0.34537%0.369SS..EExtended strand (participates in β ladder)trans-83-39.4-179.2174.90000111.8T233 A235V218-T233 PolarHBondContact N-O 2.81Å; V218-A235 HydrophobicContact CG2-CB 3.86Å
219D73.7Confident79.5Confident75 Ų7571.7 Ų71.740%0.40136%0.357SS..EExtended strand (participates in β ladder)trans-154.7140.9-175-17941.7000111.5V232 T233D219-V232 CarbonylContact O-C 3.59Å; D219-T233 PolarHBondContact N-O 2.92Å; D219-T233 PolarHBondContact O-N 3.12Å
220V81.3Confident79.8Confident20 Ų2064.7 Ų64.712%0.12133%0.325CS..EExtended strand (participates in β ladder)trans-126.3121.9172-178.60000108.9A204 L207 Q208 V217 F231 V232A204-V220 HydrophobicContact CB-CB 4.23Å; A204-V220 HydrophobicContact CB-CG1 3.92Å; L207-V220 HydrophobicContact CB-CG1 3.89Å; L207-V220 HydrophobicContact CD1-CG1 3.98Å; Q208-V220 HydrophobicContact CB-CG2 3.8Å; Q208-V220 HydrophobicContact CG-CG2 4.36Å; V217-V220 HydrophobicContact CG1-CG2 3.59Å; V220-F231 CarbonylContact C-O 3.56Å; V220-F231 WeakPolarHBondContact CA-O 3.16Å; V220-V232 HydrophobicContact CG1-CG2 4.31Å; V220-V232 HydrophobicContact CG2-CG1 4.39Å; V220-V232 HydrophobicContact CG2-CG2 4.26Å
221F81.1Confident80Confident99 Ų9963.4 Ų63.443%0.43432%0.319SS..EExtended strand (participates in β ladder)trans-122.7114.2-177.9179.3-109.6000111.3P223 A230 F231F221-P223 HydrophobicContact CD1-CG 4.18Å; F221-P223 HydrophobicContact CE1-CB 4.08Å; F221-P223 HydrophobicContact CE1-CG 3.72Å; F221-P223 HydrophobicContact CZ-CB 4.38Å; F221-P223 HydrophobicContact CZ-CG 4.47Å; F221-A230 CarbonylContact O-C 3.51Å; F221-A230 WeakPolarHBondContact O-CA 3.31Å; F221-F231 HydrophobicContact CB-CB 4.43Å; F221-F231 AromaticContact CD1-CD2 3.81Å; F221-F231 HydrophobicContact CD1-CD2 3.81Å; F221-F231 HydrophobicContact CD1-CE2 4.37Å; F221-F231 PolarHBondContact N-O 2.82Å; F221-F231 PolarHBondContact O-N 3.44Å
222I81.9Confident80.2Confident40 Ų4063.4 Ų63.421%0.20532%0.319CS..  trans-103.3111.1171.3-51.4-178.1000107.8M202 A204 L207 F226 A230M202-I222 VanDerWaalsContact O-CD1 3.23Å; M202-I222 WeakPolarHBondContact O-CD1 3.39Å; A204-I222 HydrophobicContact CB-CD1 4.21Å; A204-I222 HydrophobicContact CB-CG1 4.42Å; L207-I222 HydrophobicContact CD1-CD1 3.91Å; L207-I222 HydrophobicContact CD1-CG1 4.15Å; I222-F226 HydrophobicContact CG2-CD2 4.04Å; I222-F226 HydrophobicContact CG2-CE2 4.28Å; I222-A230 HydrophobicContact CG1-CB 3.88Å
223P76.1Confident80.3Confident8 Ų860.8 Ų60.85%0.05230%0.301CS..  trans-60.9139.8179.2-19.129.6000112.1F221 P225 F229 F231F221-P223 HydrophobicContact CD1-CG 4.18Å; F221-P223 HydrophobicContact CE1-CB 4.08Å; F221-P223 HydrophobicContact CE1-CG 3.72Å; F221-P223 HydrophobicContact CZ-CB 4.38Å; F221-P223 HydrophobicContact CZ-CG 4.47Å; P223-P225 CarbonylContact C-O 3.51Å; P223-P225 CarbonylContact O-C 3.5Å; P223-F229 WeakPolarHBondContact CD-O 3.37Å; P223-F229 HydrophobicContact CG-CD2 4.04Å; P223-F229 HydrophobicContact CG-CE2 3.46Å; P223-F229 VanDerWaalsContact CG-CE2 3.46Å; P223-F229 HydrophobicContact CG-CZ 3.94Å; P223-F231 HydrophobicContact CG-CD2 4.45Å; P223-F231 HydrophobicContact CG-CE2 4.18Å
224K79.1Confident80.4Confident198 Ų19855.1 Ų55.186%0.86127%0.274SS*.SBendtrans-106.7138.5167.4-64.6-172.2179.6-177.40109.8
225P81.4Confident80.2Confident97 Ų9752.4 Ų52.463%0.6327%0.271SS*.SBendcis-60.6155.3-7.529.5-36.2000111P223 R227P223-P225 CarbonylContact C-O 3.51Å; P223-P225 CarbonylContact O-C 3.5Å; P225-R227 WeakPolarHBondContact O-CG 3.3Å; P225-R227 PolarHBondContact O-N 2.92Å
226F81.6Confident80Confident67 Ų6755 Ų5529%0.29428%0.28SS..  trans-57.4134.8-177.1-179.6-104.4000110.9C198 T199 E200 I222 A228C198-F226 HydrophobicContact CB-CZ 4.37Å; C198-F226 VanDerWaalsContact O-CZ 3.32Å; C198-F226 WeakPolarHBondContact O-CZ 3.17Å; T199-F226 WeakPolarHBondContact O-CE2 3.38Å; T199-F226 VanDerWaalsContact O-CZ 3.25Å; T199-F226 WeakPolarHBondContact O-CZ 3.39Å; E200-F226 HydrophobicContact CB-CD1 3.91Å; E200-F226 HydrophobicContact CB-CE1 3.93Å; E200-F226 HydrophobicContact CB-CG 4.24Å; E200-F226 HydrophobicContact CB-CZ 4.27Å; E200-F226 HydrophobicContact CG-CB 4.49Å; E200-F226 HydrophobicContact CG-CD1 4.29Å; E200-F226 HydrophobicContact CG-CG 4.21Å; I222-F226 HydrophobicContact CG2-CD2 4.04Å; I222-F226 HydrophobicContact CG2-CE2 4.28Å; F226-A228 HydrophobicContact CE1-CB 4.09Å; F226-A228 VanDerWaalsContact CE1-N 3.34Å; F226-A228 VanDerWaalsContact CZ-CA 3.43Å; F226-A228 HydrophobicContact CZ-CB 4.33Å
227R80.4Confident79.9Confident148 Ų14852.7 Ų52.756%0.55827%0.271SS*.  trans-128.221.6-176.1-67.1-180-171-162.8-1.2113.8P225 F229P225-R227 WeakPolarHBondContact O-CG 3.3Å; P225-R227 PolarHBondContact O-N 2.92Å; R227-F229 HydrophobicContact CB-CD1 3.59Å; R227-F229 HydrophobicContact CB-CE1 3.21Å; R227-F229 HydrophobicContact CB-CZ 4.02Å; R227-F229 HydrophobicContact CG-CE1 4.12Å; R227-F229 WeakPolarHBondContact O-CD1 3.32Å; R227-F229 PolarHBondContact O-N 3.34Å
228A82.7Confident79.8Confident44 Ų4459 Ų5936%0.36430%0.297SS..SBendtrans59.526.6-177.600000114.7R197 C198 F226R197-A228 PolarHBondContact N-O 3.41Å; C198-A228 PolarHBondContact N-O 3.42Å; C198-A228 WeakPolarHBondContact O-CA 3.44Å; C198-A228 WeakPolarHBondContact O-CB 3.26Å; F226-A228 HydrophobicContact CE1-CB 4.09Å; F226-A228 VanDerWaalsContact CE1-N 3.34Å; F226-A228 VanDerWaalsContact CZ-CA 3.43Å; F226-A228 HydrophobicContact CZ-CB 4.33Å
229F86.1Confident80.1Confident36 Ų3657.3 Ų57.316%0.15829%0.287CS..EExtended strand (participates in β ladder)trans-149.8158.3172.867.9-97.2000112.2F194 V195 P223 R227 F231F194-F229 HydrophobicContact CD2-CB 4.3Å; F194-F229 AromaticContact CD2-CD2 3.99Å; F194-F229 HydrophobicContact CD2-CD2 3.99Å; F194-F229 HydrophobicContact CD2-CG 4.34Å; F194-F229 HydrophobicContact CE1-CB 4.26Å; F194-F229 HydrophobicContact CE2-CB 3.41Å; F194-F229 VanDerWaalsContact CE2-CB 3.41Å; F194-F229 HydrophobicContact CE2-CD1 4.03Å; F194-F229 AromaticContact CE2-CD2 3.39Å; F194-F229 HydrophobicContact CE2-CD2 3.39Å; F194-F229 HydrophobicContact CE2-CE2 4.07Å; F194-F229 AromaticContact CE2-CG 3.37Å; F194-F229 HydrophobicContact CE2-CG 3.37Å; F194-F229 HydrophobicContact CZ-CB 3.38Å; F194-F229 HydrophobicContact CZ-CD1 4.26Å; F194-F229 HydrophobicContact CZ-CD2 4.25Å; F194-F229 AromaticContact CZ-CG 3.77Å; F194-F229 HydrophobicContact CZ-CG 3.77Å; V195-F229 CarbonylContact O-C 3.51Å; V195-F229 WeakPolarHBondContact O-CA 3.35Å; V195-F229 WeakPolarHBondContact O-CB 3.47Å; P223-F229 WeakPolarHBondContact CD-O 3.37Å; P223-F229 HydrophobicContact CG-CD2 4.04Å; P223-F229 HydrophobicContact CG-CE2 3.46Å; P223-F229 VanDerWaalsContact CG-CE2 3.46Å; P223-F229 HydrophobicContact CG-CZ 3.94Å; R227-F229 HydrophobicContact CB-CD1 3.59Å; R227-F229 HydrophobicContact CB-CE1 3.21Å; R227-F229 HydrophobicContact CB-CZ 4.02Å; R227-F229 HydrophobicContact CG-CE1 4.12Å; R227-F229 WeakPolarHBondContact O-CD1 3.32Å; R227-F229 PolarHBondContact O-N 3.34Å; F229-F231 HydrophobicContact CD2-CD2 4.44Å; F229-F231 AromaticContact CD2-CE2 3.94Å; F229-F231 HydrophobicContact CD2-CE2 3.94Å; F229-F231 HydrophobicContact CD2-CZ 4.22Å; F229-F231 HydrophobicContact CE2-CD2 4.37Å; F229-F231 AromaticContact CE2-CE2 3.51Å; F229-F231 HydrophobicContact CE2-CE2 3.51Å; F229-F231 AromaticContact CE2-CZ 3.81Å; F229-F231 HydrophobicContact CE2-CZ 3.81Å
230A86.4Confident80.4Confident0 Ų053.8 Ų53.80%027%0.269CS..EExtended strand (participates in β ladder)trans-134.3167.2174.500000110.1V195 L207 F221 I222V195-A230 HydrophobicContact CB-CB 4.38Å; V195-A230 PolarHBondContact N-O 2.98Å; V195-A230 PolarHBondContact O-N 2.94Å; L207-A230 HydrophobicContact CD1-CB 3.47Å; L207-A230 VanDerWaalsContact CD1-CB 3.47Å; F221-A230 CarbonylContact O-C 3.51Å; F221-A230 WeakPolarHBondContact O-CA 3.31Å; I222-A230 HydrophobicContact CG1-CB 3.88Å
231F86.7Confident80.3Confident20 Ų2056.5 Ų56.59%0.08828%0.28CS..EExtended strand (participates in β ladder)trans-119.9138168.4-62.3-86.2000109.3K192 V193 F194 V220 F221 P223 F229 A260K192-F231 HydrophobicContact CD-CB 3.9Å; K192-F231 HydrophobicContact CD-CD1 3.92Å; K192-F231 HydrophobicContact CD-CG 4.15Å; K192-F231 HydrophobicContact CG-CB 4.15Å; K192-F231 HydrophobicContact CG-CD1 4.24Å; V193-F231 WeakPolarHBondContact O-CA 3.34Å; F194-F231 HydrophobicContact CB-CD1 4.4Å; F194-F231 HydrophobicContact CB-CE1 4.34Å; F194-F231 HydrophobicContact CD2-CD1 4.39Å; F194-F231 AromaticContact CD2-CE1 3.82Å; F194-F231 HydrophobicContact CD2-CE1 3.82Å; F194-F231 HydrophobicContact CD2-CZ 4.18Å; V220-F231 CarbonylContact C-O 3.56Å; V220-F231 WeakPolarHBondContact CA-O 3.16Å; F221-F231 HydrophobicContact CB-CB 4.43Å; F221-F231 AromaticContact CD1-CD2 3.81Å; F221-F231 HydrophobicContact CD1-CD2 3.81Å; F221-F231 HydrophobicContact CD1-CE2 4.37Å; F221-F231 PolarHBondContact N-O 2.82Å; F221-F231 PolarHBondContact O-N 3.44Å; P223-F231 HydrophobicContact CG-CD2 4.45Å; P223-F231 HydrophobicContact CG-CE2 4.18Å; F229-F231 HydrophobicContact CD2-CD2 4.44Å; F229-F231 AromaticContact CD2-CE2 3.94Å; F229-F231 HydrophobicContact CD2-CE2 3.94Å; F229-F231 HydrophobicContact CD2-CZ 4.22Å; F229-F231 HydrophobicContact CE2-CD2 4.37Å; F229-F231 AromaticContact CE2-CE2 3.51Å; F229-F231 HydrophobicContact CE2-CE2 3.51Å; F229-F231 AromaticContact CE2-CZ 3.81Å; F229-F231 HydrophobicContact CE2-CZ 3.81Å; F231-A260 HydrophobicContact CD1-CB 3.91Å; F231-A260 HydrophobicContact CE1-CB 4.11Å
232V87Confident80.3Confident0 Ų055.5 Ų55.50%029%0.286CS..EExtended strand (participates in β ladder)trans-122.7129.7175.7179.50000107.7K192 V193 V195 F211 V217 D219 V220 F234K192-V232 CarbonylContact C-O 3.58Å; K192-V232 VanDerWaalsContact CA-O 3.32Å; K192-V232 WeakPolarHBondContact CA-O 3.42Å; V193-V232 HydrophobicContact CG2-CB 3.82Å; V193-V232 WeakPolarHBondContact CG2-O 3.4Å; V193-V232 PolarHBondContact N-O 3.01Å; V193-V232 PolarHBondContact O-N 3.14Å; V195-V232 HydrophobicContact CG2-CB 4.36Å; V195-V232 HydrophobicContact CG2-CG2 3.72Å; F211-V232 HydrophobicContact CB-CG1 4.13Å; F211-V232 HydrophobicContact CD2-CB 4.36Å; F211-V232 HydrophobicContact CD2-CG1 4.11Å; F211-V232 HydrophobicContact CD2-CG2 3.67Å; F211-V232 HydrophobicContact CE2-CG2 3.82Å; F211-V232 HydrophobicContact CG-CG1 4.12Å; F211-V232 HydrophobicContact CG-CG2 4.47Å; V217-V232 HydrophobicContact CG1-CG1 3.78Å; V217-V232 HydrophobicContact CG2-CG1 4.26Å; D219-V232 CarbonylContact O-C 3.59Å; V220-V232 HydrophobicContact CG1-CG2 4.31Å; V220-V232 HydrophobicContact CG2-CG1 4.39Å; V220-V232 HydrophobicContact CG2-CG2 4.26Å; V232-F234 HydrophobicContact CB-CE2 4.45Å; V232-F234 HydrophobicContact CG1-CD2 4.34Å; V232-F234 HydrophobicContact CG1-CE1 4.46Å; V232-F234 HydrophobicContact CG1-CE2 3.82Å; V232-F234 HydrophobicContact CG1-CZ 3.89Å
233T80.4Confident80.3Confident24 Ų2454 Ų5415%0.14728%0.278CS..EExtended strand (participates in β ladder)trans-110.5120.3178.2-45.60000108.4R191 K192 V218 D219R191-T233 HydrophobicContact CB-CG2 4.38Å; R191-T233 WeakPolarHBondContact O-CA 3.48Å; K192-T233 HydrophobicContact CB-CG2 4.45Å; K192-T233 WeakPolarHBondContact CE-OG1 3.49Å; V218-T233 PolarHBondContact N-O 2.81Å; D219-T233 PolarHBondContact N-O 2.92Å; D219-T233 PolarHBondContact O-N 3.12Å
234F81.8Confident80.5Confident2 Ų255.3 Ų55.31%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-91.5158.3175.9-68.8-83.2000111.6R191 V193 F211 E216 V217 V232 D236 V239 A240 L243R191-F234 WeakPolarHBondContact CB-O 3.48Å; R191-F234 PolarHBondContact O-N 3.16Å; V193-F234 HydrophobicContact CG1-CD2 4.48Å; V193-F234 HydrophobicContact CG1-CE2 4.31Å; V193-F234 HydrophobicContact CG2-CD2 4.39Å; V193-F234 HydrophobicContact CG2-CE2 3.77Å; F211-F234 HydrophobicContact CB-CE1 3.99Å; F211-F234 HydrophobicContact CB-CZ 3.82Å; F211-F234 AromaticContact CD1-CZ 3.67Å; F211-F234 HydrophobicContact CD1-CZ 3.67Å; F211-F234 AromaticContact CG-CZ 3.97Å; F211-F234 HydrophobicContact CG-CZ 3.97Å; E216-F234 CarbonylContact O-C 3.59Å; E216-F234 WeakPolarHBondContact O-CA 3.43Å; V217-F234 HydrophobicContact CG2-CD1 4.14Å; V217-F234 HydrophobicContact CG2-CE1 3.8Å; V232-F234 HydrophobicContact CB-CE2 4.45Å; V232-F234 HydrophobicContact CG1-CD2 4.34Å; V232-F234 HydrophobicContact CG1-CE1 4.46Å; V232-F234 HydrophobicContact CG1-CE2 3.82Å; V232-F234 HydrophobicContact CG1-CZ 3.89Å; F234-D236 VanDerWaalsContact C-N 3.35Å; F234-D236 WeakPolarHBondContact CB-O 3.05Å; F234-V239 HydrophobicContact CD1-CB 4.35Å; F234-V239 HydrophobicContact CD1-CG1 3.65Å; F234-V239 HydrophobicContact CD2-CG1 4.43Å; F234-V239 HydrophobicContact CE1-CG1 3.74Å; F234-V239 HydrophobicContact CG-CB 4.36Å; F234-V239 HydrophobicContact CG-CG1 4Å; F234-V239 HydrophobicContact CZ-CG1 4.18Å; F234-A240 HydrophobicContact CD2-CB 4.03Å; F234-L243 HydrophobicContact CE1-CD1 4.21Å; F234-L243 HydrophobicContact CE2-CD1 3.72Å; F234-L243 HydrophobicContact CZ-CD1 3.39Å
235A72.6Confident80.3Confident36 Ų3648.1 Ų48.130%0.29827%0.269SS..SBendtrans-67.3-39.4169.700000111.2R191 E216 V218R191-A235 WeakPolarHBondContact CD-O 3.27Å; E216-A235 HydrophobicContact CB-CB 3.95Å; E216-A235 HydrophobicContact CG-CB 4.23Å; E216-A235 PolarHBondContact O-N 3.18Å; V218-A235 HydrophobicContact CG2-CB 3.86Å
236D71.1Confident79.9Confident72 Ų7248.6 Ų48.639%0.38526%0.263SS..  trans-105.4130.8-177.5-164.4-29.7000111.5F234 K238 V239F234-D236 VanDerWaalsContact C-N 3.35Å; F234-D236 WeakPolarHBondContact CB-O 3.05Å; D236-K238 VanDerWaalsContact C-N 3.3Å; D236-K238 WeakPolarHBondContact OD1-CB 3.4Å; D236-K238 WeakPolarHBondContact OD1-CG 3.4Å; D236-K238 PolarHBondContact OD1-N 3.15Å; D236-V239 HydrophobicContact CB-CG2 4.04Å
237D73.4Confident79.9Confident48 Ų4849.2 Ų49.226%0.25727%0.269SS..Hα-helixtrans-69.9-26.8176.460.9-74000112.8R189 R191 V239 A240 Q241R189-D237 HydrophobicContact CB-CB 4.4Å; R189-D237 VanDerWaalsContact CD-OD2 3.25Å; R189-D237 WeakPolarHBondContact CD-OD2 3.14Å; R189-D237 IonicContact NE-OD2 2.73Å; R189-D237 PolarHBondContact NE-OD2 3.29Å; R191-D237 HydrophobicContact CG-CB 3.81Å; D237-V239 VanDerWaalsContact C-N 3.33Å; D237-V239 PolarHBondContact O-N 3.2Å; D237-A240 PolarHBondContact O-N 3.43Å; D237-Q241 WeakPolarHBondContact O-CG 3.3Å; D237-Q241 PolarHBondContact O-N 3.42Å
238K75.5Confident79.9Confident147 Ų14743 Ų4364%0.63925%0.247SC*.Hα-helixtrans-65.4-38.1177.4-64.4-178.9178.7-178.60112.1D236 Q241 S242D236-K238 VanDerWaalsContact C-N 3.3Å; D236-K238 WeakPolarHBondContact OD1-CB 3.4Å; D236-K238 WeakPolarHBondContact OD1-CG 3.4Å; D236-K238 PolarHBondContact OD1-N 3.15Å; K238-Q241 PolarHBondContact O-N 3.16Å; K238-S242 WeakPolarHBondContact O-CB 3.49Å; K238-S242 PolarHBondContact O-N 2.72Å; K238-S242 PolarHBondContact O-OG 2.74Å
239V81.7Confident79.7Confident22 Ų2246.4 Ų46.413%0.13326%0.258CS..Hα-helixtrans-63.8-49.2176.1177.40000109.5Y214 F234 D236 D237 Q241 S242 L243Y214-V239 WeakPolarHBondContact O-CG1 3.17Å; F234-V239 HydrophobicContact CD1-CB 4.35Å; F234-V239 HydrophobicContact CD1-CG1 3.65Å; F234-V239 HydrophobicContact CD2-CG1 4.43Å; F234-V239 HydrophobicContact CE1-CG1 3.74Å; F234-V239 HydrophobicContact CG-CB 4.36Å; F234-V239 HydrophobicContact CG-CG1 4Å; F234-V239 HydrophobicContact CZ-CG1 4.18Å; D236-V239 HydrophobicContact CB-CG2 4.04Å; D237-V239 VanDerWaalsContact C-N 3.33Å; D237-V239 PolarHBondContact O-N 3.2Å; V239-Q241 VanDerWaalsContact C-N 3.26Å; V239-Q241 PolarHBondContact O-N 2.82Å; V239-S242 WeakPolarHBondContact CA-OG 3.31Å; V239-S242 PolarHBondContact O-N 2.72Å; V239-S242 VanDerWaalsContact O-N 3.16Å; V239-S242 PolarHBondContact O-OG 3.43Å; V239-L243 HydrophobicContact CG1-CD1 3.99Å; V239-L243 WeakPolarHBondContact O-CG 3.29Å; V239-L243 PolarHBondContact O-N 3.25Å; V239-L243 VanDerWaalsContact O-N 3.09Å
240A79.9Confident79.4Confident2 Ų245 Ų452%0.01725%0.252CS..Hα-helixtrans-57.6-38.6176.800000112.6S190 V193 F234 D237 C244S190-A240 WeakPolarHBondContact O-CB 3.09Å; V193-A240 HydrophobicContact CG1-CB 3.65Å; V193-A240 WeakPolarHBondContact CG1-O 3.42Å; F234-A240 HydrophobicContact CD2-CB 4.03Å; D237-A240 PolarHBondContact O-N 3.43Å; A240-C244 PolarHBondContact O-N 3.35Å
241Q78.5Confident78.7Confident76 Ų7651.6 Ų51.636%0.35528%0.28SS..Hα-helixtrans-68.8-44.3175.1-74.1-169.3-42.100113R189 D237 K238 V239 L243 C244R189-Q241 VanDerWaalsContact CD-NE2 3.25Å; R189-Q241 VanDerWaalsContact CG-NE2 3.26Å; D237-Q241 WeakPolarHBondContact O-CG 3.3Å; D237-Q241 PolarHBondContact O-N 3.42Å; K238-Q241 PolarHBondContact O-N 3.16Å; V239-Q241 VanDerWaalsContact C-N 3.26Å; V239-Q241 PolarHBondContact O-N 2.82Å; Q241-L243 PolarHBondContact O-N 3.03Å; Q241-C244 WeakPolarHBondContact O-CB 3.11Å; Q241-C244 PolarHBondContact O-N 2.66Å; Q241-C244 VanDerWaalsContact O-N 3.12Å
242S81.2Confident78Confident79 Ų7954 Ų5455%0.55231%0.311SS*.Hα-helixtrans-65-27.7-178.566.60000113.3K238 V239K238-S242 WeakPolarHBondContact O-CB 3.49Å; K238-S242 PolarHBondContact O-N 2.72Å; K238-S242 PolarHBondContact O-OG 2.74Å; V239-S242 WeakPolarHBondContact CA-OG 3.31Å; V239-S242 PolarHBondContact O-N 2.72Å; V239-S242 VanDerWaalsContact O-N 3.16Å; V239-S242 PolarHBondContact O-OG 3.43Å
243L82.7Confident77.6Confident8 Ų856.6 Ų56.64%0.04233%0.325CS..THydrogen-bonded Turntrans-86.2-14.4177.1-65.6176000112.8F211 Y214 F234 V239 Q241 G245 E246 L248 I257F211-L243 HydrophobicContact CD1-CD1 4.06Å; F211-L243 HydrophobicContact CE1-CD1 4.24Å; Y214-L243 HydrophobicContact CD1-CD2 3.76Å; Y214-L243 HydrophobicContact CD2-CD1 4.39Å; Y214-L243 HydrophobicContact CD2-CD2 4.17Å; Y214-L243 HydrophobicContact CE1-CD2 4.11Å; Y214-L243 HydrophobicContact CE2-CD2 4.49Å; Y214-L243 HydrophobicContact CG-CD1 4.21Å; Y214-L243 HydrophobicContact CG-CD2 3.8Å; F234-L243 HydrophobicContact CE1-CD1 4.21Å; F234-L243 HydrophobicContact CE2-CD1 3.72Å; F234-L243 HydrophobicContact CZ-CD1 3.39Å; V239-L243 HydrophobicContact CG1-CD1 3.99Å; V239-L243 WeakPolarHBondContact O-CG 3.29Å; V239-L243 PolarHBondContact O-N 3.25Å; V239-L243 VanDerWaalsContact O-N 3.09Å; Q241-L243 PolarHBondContact O-N 3.03Å; L243-G245 PolarHBondContact O-N 3.14Å; L243-E246 WeakPolarHBondContact O-CB 3.49Å; L243-E246 PolarHBondContact O-N 3.11Å; L243-L248 HydrophobicContact CD2-CD1 4.29Å; L243-I257 HydrophobicContact CB-CD1 4.07Å; L243-I257 HydrophobicContact CB-CG2 4.2Å; L243-I257 WeakPolarHBondContact O-CB 3.31Å; L243-I257 VanDerWaalsContact O-CG2 3.24Å; L243-I257 WeakPolarHBondContact O-CG2 3.48Å
244C80.7Confident77.6Confident35 Ų3558 Ų5824%0.23634%0.335CS..THydrogen-bonded Turntrans-74.7126.5-175.5-172.60000111.1A240 Q241 S258 N259A240-C244 PolarHBondContact O-N 3.35Å; Q241-C244 WeakPolarHBondContact O-CB 3.11Å; Q241-C244 PolarHBondContact O-N 2.66Å; Q241-C244 VanDerWaalsContact O-N 3.12Å; C244-S258 VanDerWaalsContact SG-C 3.55Å; C244-N259 PolarHBondContact SG-N 2.78Å; C244-N259 PolarHBondContact SG-OD1 3.19Å
245G73.5Confident77.8Confident47 Ų4757.9 Ų57.949%0.48533%0.334SS..THydrogen-bonded Turntrans92.7-3.9-175.900000113.9L243 I257L243-G245 PolarHBondContact O-N 3.14Å; G245-I257 WeakPolarHBondContact CA-O 3.11Å; G245-I257 PolarHBondContact N-O 3.19Å
246E74.9Confident78.2Confident108 Ų10858.8 Ų58.851%0.50533%0.333SS..  trans-89.4143.3177.5-65.7-65.7139.100111.6L243 L248 I257L243-E246 WeakPolarHBondContact O-CB 3.49Å; L243-E246 PolarHBondContact O-N 3.11Å; E246-L248 HydrophobicContact CB-CD2 4.3Å; E246-I257 PolarHBondContact O-N 3.36Å
247D80.5Confident78.9Confident79 Ų7955.4 Ų55.442%0.42231%0.314SS..EExtended strand (participates in β ladder)trans-97.6112.4167.7-70.1-88000108.5R197 V255 H256R197-D247 IonicContact NH1-OD1 2.72Å; R197-D247 PolarHBondContact NH1-OD1 3.47Å; D247-V255 CarbonylContact C-O 3.48Å; D247-V255 WeakPolarHBondContact CA-O 3.39Å; D247-H256 IonicContact OD1-CG 3.07Å; D247-H256 IonicContact OD1-ND1 3.07Å; D247-H256 PolarHBondContact OD1-ND1 2.92Å; D247-H256 VanDerWaalsContact OD1-ND1 3.15Å; D247-H256 IonicContact OD2-ND1 2.69Å
248L81.3Confident79.2Confident19 Ų1954.8 Ų54.810%0.09931%0.314CS..EExtended strand (participates in β ladder)trans-100.3153.1178.5-58.8-170.4000110.9F210 F211 Y214 L243 E246 S254 V255 I257F210-L248 HydrophobicContact CE1-CB 4.11Å; F210-L248 HydrophobicContact CE1-CD1 3.71Å; F210-L248 HydrophobicContact CZ-CB 4.27Å; F210-L248 HydrophobicContact CZ-CD1 4.38Å; F211-L248 HydrophobicContact CE1-CD1 3.75Å; F211-L248 HydrophobicContact CZ-CD1 4.35Å; Y214-L248 HydrophobicContact CE2-CD1 3.74Å; L243-L248 HydrophobicContact CD2-CD1 4.29Å; E246-L248 HydrophobicContact CB-CD2 4.3Å; L248-S254 CarbonylContact O-C 3.55Å; L248-S254 WeakPolarHBondContact O-CA 3.43Å; L248-V255 HydrophobicContact CB-CG2 3.97Å; L248-V255 PolarHBondContact N-O 3.5Å; L248-V255 WeakPolarHBondContact O-CG2 3.33Å; L248-V255 PolarHBondContact O-N 3.02Å; L248-I257 HydrophobicContact CD1-CD1 3.33Å; L248-I257 HydrophobicContact CG-CD1 3.65Å; L248-I257 HydrophobicContact CG-CG1 4.46Å
249I78.3Confident79.4Confident115 Ų11551.5 Ų51.559%0.5930%0.303SS*.EExtended strand (participates in β ladder)trans-106.9113.4177.4-59175.6000109.2I253I249-I253 CarbonylContact C-O 3.42Å; I249-I253 WeakPolarHBondContact CA-O 3.26Å
250I78.6Confident78.9Confident6 Ų650.7 Ų50.73%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-113.5116.7176.7-55.8-177.6000107.7M202 L207 F210 F211 G252 I253 V255M202-I250 HydrophobicContact CE-CB 3.88Å; M202-I250 HydrophobicContact CE-CG2 4.08Å; M202-I250 WeakPolarHBondContact CE-O 3.19Å; M202-I250 HydrophobicContact SD-CG2 4.49Å; L207-I250 HydrophobicContact CD2-CD1 3.69Å; F210-I250 HydrophobicContact CD1-CD1 3.59Å; F210-I250 HydrophobicContact CD1-CG1 3.7Å; F210-I250 HydrophobicContact CD2-CG1 4.14Å; F210-I250 HydrophobicContact CE1-CD1 3.86Å; F210-I250 HydrophobicContact CE1-CG1 3.61Å; F210-I250 HydrophobicContact CE2-CG1 4.07Å; F210-I250 HydrophobicContact CG-CD1 4.07Å; F210-I250 HydrophobicContact CG-CG1 3.96Å; F210-I250 HydrophobicContact CZ-CG1 3.81Å; F211-I250 HydrophobicContact CE2-CD1 4.18Å; F211-I250 HydrophobicContact CZ-CD1 4.4Å; I250-G252 PolarHBondContact O-N 3.08Å; I250-I253 PolarHBondContact N-O 2.6Å; I250-I253 WeakPolarHBondContact O-CB 3.28Å; I250-I253 PolarHBondContact O-N 3.09Å; I250-V255 HydrophobicContact CD1-CG1 4.25Å; I250-V255 HydrophobicContact CD1-CG2 3.61Å; I250-V255 HydrophobicContact CG1-CG1 4.45Å; I250-V255 HydrophobicContact CG1-CG2 3.83Å
251K72.4Confident78.5Confident138 Ų13858.5 Ų58.560%0.634%0.335SS*.THydrogen-bonded Turntrans54.135.4-177.9-58.9174.779.1173.20113.8E206 I253E206-K251 IonicContact OE1-NZ 2.78Å; E206-K251 PolarHBondContact OE1-NZ 3.45Å; E206-K251 IonicContact OE2-NZ 2.7Å; K251-I253 VanDerWaalsContact C-N 3.26Å; K251-I253 PolarHBondContact O-N 2.84Å
252G72.2Confident77.4Confident71 Ų7158.7 Ų58.773%0.73234%0.343SS*.THydrogen-bonded Turntrans802.3-177.300000114.7I250I250-G252 PolarHBondContact O-N 3.08Å
253I77.6Confident76Confident55 Ų5562.6 Ų62.628%0.28235%0.35SS..EExtended strand (participates in β ladder)trans-103.7127.1178-61.7156.2000108.9T199 M202 I249 I250 K251 V255T199-I253 HydrophobicContact CG2-CD1 3.62Å; T199-I253 HydrophobicContact CG2-CG1 4.39Å; T199-I253 HydrophobicContact CG2-CG2 4.18Å; T199-I253 WeakPolarHBondContact OG1-CD1 3.46Å; M202-I253 HydrophobicContact CE-CB 3.58Å; M202-I253 HydrophobicContact CE-CD1 3.69Å; M202-I253 HydrophobicContact CE-CG1 4.25Å; M202-I253 HydrophobicContact CE-CG2 3.72Å; I249-I253 CarbonylContact C-O 3.42Å; I249-I253 WeakPolarHBondContact CA-O 3.26Å; I250-I253 PolarHBondContact N-O 2.6Å; I250-I253 WeakPolarHBondContact O-CB 3.28Å; I250-I253 PolarHBondContact O-N 3.09Å; K251-I253 VanDerWaalsContact C-N 3.26Å; K251-I253 PolarHBondContact O-N 2.84Å; I253-V255 PolarHBondContact O-N 2.88Å
254S81.3Confident74Confident52 Ų5269.9 Ų69.936%0.36438%0.383SS..EExtended strand (participates in β ladder)trans-76.9111.7174.9176.10000110.4L248L248-S254 CarbonylContact O-C 3.55Å; L248-S254 WeakPolarHBondContact O-CA 3.43Å
255V86.3Confident71.9Confident0 Ų075.1 Ų75.10%041%0.409CS..EExtended strand (participates in β ladder)trans-99.3141.8172-58.70000109.7V195 G196 M202 D247 L248 I250 I253V195-V255 HydrophobicContact CG1-CB 3.88Å; V195-V255 HydrophobicContact CG1-CG1 4.42Å; V195-V255 HydrophobicContact CG1-CG2 3.96Å; G196-V255 WeakPolarHBondContact O-CA 3.29Å; G196-V255 WeakPolarHBondContact O-CB 3.3Å; M202-V255 HydrophobicContact CE-CG1 3.81Å; M202-V255 HydrophobicContact SD-CG1 3.96Å; D247-V255 CarbonylContact C-O 3.48Å; D247-V255 WeakPolarHBondContact CA-O 3.39Å; L248-V255 HydrophobicContact CB-CG2 3.97Å; L248-V255 PolarHBondContact N-O 3.5Å; L248-V255 WeakPolarHBondContact O-CG2 3.33Å; L248-V255 PolarHBondContact O-N 3.02Å; I250-V255 HydrophobicContact CD1-CG1 4.25Å; I250-V255 HydrophobicContact CD1-CG2 3.61Å; I250-V255 HydrophobicContact CG1-CG1 4.45Å; I250-V255 HydrophobicContact CG1-CG2 3.83Å; I253-V255 PolarHBondContact O-N 2.88Å
256H80.4Confident70.1Confident56 Ų5677.7 Ų77.726%0.25942%0.419SS..EExtended strand (participates in β ladder)trans-105.1130-179.2-176.474.2000110.3G196 D247G196-H256 PolarHBondContact N-O 2.78Å; G196-H256 PolarHBondContact O-N 3.4Å; D247-H256 IonicContact OD1-CG 3.07Å; D247-H256 IonicContact OD1-ND1 3.07Å; D247-H256 PolarHBondContact OD1-ND1 2.92Å; D247-H256 VanDerWaalsContact OD1-ND1 3.15Å; D247-H256 IonicContact OD2-ND1 2.69Å
257I86.4Confident68.2Low0 Ų078.9 Ų78.90%043%0.429CS..EExtended strand (participates in β ladder)trans-104.2128.7-179.2-55.5-179.9000110.1V193 F194 F211 L243 G245 E246 L248V193-I257 HydrophobicContact CB-CG2 3.75Å; V193-I257 HydrophobicContact CG1-CG2 4.12Å; V193-I257 HydrophobicContact CG2-CG2 4.08Å; F194-I257 CarbonylContact O-C 3.41Å; F194-I257 WeakPolarHBondContact O-CA 3.49Å; F211-I257 HydrophobicContact CE1-CD1 3.47Å; F211-I257 VanDerWaalsContact CE1-CD1 3.47Å; F211-I257 HydrophobicContact CZ-CD1 3.74Å; F211-I257 HydrophobicContact CZ-CG1 4.39Å; L243-I257 HydrophobicContact CB-CD1 4.07Å; L243-I257 HydrophobicContact CB-CG2 4.2Å; L243-I257 WeakPolarHBondContact O-CB 3.31Å; L243-I257 VanDerWaalsContact O-CG2 3.24Å; L243-I257 WeakPolarHBondContact O-CG2 3.48Å; G245-I257 WeakPolarHBondContact CA-O 3.11Å; G245-I257 PolarHBondContact N-O 3.19Å; E246-I257 PolarHBondContact O-N 3.36Å; L248-I257 HydrophobicContact CD1-CD1 3.33Å; L248-I257 HydrophobicContact CG-CD1 3.65Å; L248-I257 HydrophobicContact CG-CG1 4.46Å
258S78.6Confident66.2Low35 Ų3586.9 Ų86.925%0.24545%0.453CS..EExtended strand (participates in β ladder)trans-136.9170.5175.867.70000112.1F194 C244 A260F194-S258 VanDerWaalsContact CD1-OG 3.26Å; F194-S258 WeakPolarHBondContact CD1-OG 3.25Å; F194-S258 PolarHBondContact N-O 2.87Å; F194-S258 PolarHBondContact O-N 3.34Å; C244-S258 VanDerWaalsContact SG-C 3.55Å; S258-A260 PolarHBondContact O-N 3.09Å
259N80.1Confident64.2Low78 Ų7894.8 Ų94.842%0.41749%0.49SS..EExtended strand (participates in β ladder)trans-60.2130.1174.7-63.498.5000109.2C244 E261C244-N259 PolarHBondContact SG-N 2.78Å; C244-N259 PolarHBondContact SG-OD1 3.19Å; N259-E261 PolarHBondContact O-N 3.28Å; N259-E261 VanDerWaalsContact O-N 3.16Å
260A72.5Confident62.2Low5 Ų596.2 Ų96.24%0.04150%0.498CS..  trans-71.2115.6173.500000110K192 F194 F231 S258K192-A260 HydrophobicContact CB-CB 3.99Å; K192-A260 HydrophobicContact CD-CB 3.99Å; K192-A260 HydrophobicContact CG-CB 3.54Å; K192-A260 WeakPolarHBondContact O-CB 3.21Å; K192-A260 PolarHBondContact O-N 3.05Å; F194-A260 HydrophobicContact CB-CB 4.45Å; F231-A260 HydrophobicContact CD1-CB 3.91Å; F231-A260 HydrophobicContact CE1-CB 4.11Å; S258-A260 PolarHBondContact O-N 3.09Å
261E71.3Confident60.2Low167 Ų167105.4 Ų105.478%0.7854%0.541SS*.  trans-67.7125.9172.1-65.4-171.7116.700109.4N259 K263N259-E261 PolarHBondContact O-N 3.28Å; N259-E261 VanDerWaalsContact O-N 3.16Å; E261-K263 PolarHBondContact O-N 3.39Å; E261-K263 VanDerWaalsContact O-N 3.12Å
262P55.7Low58.4Low79 Ų79111.1 Ų111.151%0.51356%0.559SS.*  trans-62.1122.5173.424.4-30.1000107.3H264P262-H264 PolarHBondContact O-N 3.15Å
263K51.6Low56.9Low161 Ų161112.9 Ų112.970%0.756%0.56SS**  trans-59.796.5164.4-79.1-173.6177.2179.60107.2E261 N265E261-K263 PolarHBondContact O-N 3.39Å; E261-K263 VanDerWaalsContact O-N 3.12Å; K263-N265 PolarHBondContact O-N 2.97Å; K263-N265 VanDerWaalsContact O-N 3.16Å
264H40.7Very low54.7Low161 Ų161113.8 Ų113.875%0.74558%0.583SS**  trans-54.6123160.1-160.777000105P262 S266P262-H264 PolarHBondContact O-N 3.15Å; H264-S266 PolarHBondContact O-N 2.86Å; H264-S266 PolarHBondContact O-OG 2.81Å
265N35.7Very low52.5Low146 Ų146122.6 Ų122.678%0.78161%0.608SS**  trans-70.974.8177.7-163.418.3000107.5K263 N267K263-N265 PolarHBondContact O-N 2.97Å; K263-N265 VanDerWaalsContact O-N 3.16Å; N265-N267 PolarHBondContact O-N 3.33Å
266S35.3Very low50Low100 Ų100133.3 Ų133.370%0.69966%0.655SS**  trans-75.556.8174.3-56.50000109.1H264H264-S266 PolarHBondContact O-N 2.86Å; H264-S266 PolarHBondContact O-OG 2.81Å
267N34.4Very low47.8Very low133 Ų133134.3 Ų134.371%0.71168%0.68SS**  trans-117.843.7168.5-152.230.9000111.1N265N265-N267 PolarHBondContact O-N 3.33Å
268R40.2Very low45.2Very low247 Ų247137.7 Ų137.793%0.93272%0.715SS**SBendtrans-133.827.7170.3-127.5-175.3-154.5-172.96.2113.9
269Q38.1Very low43Very low186 Ų186146.1 Ų146.187%0.86975%0.747SS**SBendtrans-145.554.2170.5-151.7176.623.900111.5
270L37.3Very low41Very low145 Ų145147.6 Ų147.676%0.75976%0.764SS**SBendtrans-143.440.9162.1-136.995.7000112
271E35.5Very low40Very low198 Ų198152.2 Ų152.293%0.92579%0.794SS**SBendtrans-142.151167-74.5-154.8114.400111.5
272R35.8Very low38.4Very low258 Ų258154 Ų15497%0.97480%0.799SS**SBendtrans-137.219.3161.7-116.3-176-173.9-166.31.4114.7
273S40.4Very low37.5Very low108 Ų108153.4 Ų153.476%0.75581%0.807SS**SBendtrans-129.189171.356.60000109.4
274G31.6Very low37Very low74 Ų74157.3 Ų157.376%0.76382%0.818SS**  trans142.47416600000116.4
275R34.1Very low37.2Very low237 Ų237158.9 Ų158.989%0.89485%0.846SS**  trans-177.789.9136.5-105.8176.8-176-171.52.4110.7
276F34.6Very low37.2Very low225 Ų225159.5 Ų159.599%0.98785%0.85SS**  trans-147.280.8132.9-102.3-78.1000106.4
277G33.8Very low37.3Very low77 Ų77162.6 Ų162.679%0.79486%0.858SS**  trans-88.8135.6163.300000108.9
278G32.6Very low37.5Very low71 Ų71164.3 Ų164.373%0.73287%0.866SS**  trans134.487.5153.800000115.3
279K32.8Very low37.3Very low212 Ų212159.4 Ų159.492%0.92286%0.862SS**  166.3102.7116.4-89.7170.6174.9-175.50110.9
280S38Very low37.3Very low110 Ų110157.8 Ų157.877%0.76986%0.861SS**  trans-82.7162.4138.5-44.80000106.6
281P49.6Very low37.3Very low102 Ų102158.6 Ų158.666%0.66287%0.868SS**  cis-147.9-170.543.227.30.7000115.9
282F37.8Very low37.4Very low205 Ų205155.8 Ų155.890%0.89986%0.864SS**  trans83.4130.4170.8-60.5-84.8000115.7
283G38.1Very low37.6Very low66 Ų66147.9 Ų147.968%0.6886%0.856SS**  cis133.4112.28.900000110
284R41.6Very low37.3Very low243 Ų243151.3 Ų151.392%0.91786%0.864SS**  trans70.6138.3157.2-80.2-175173.3-159.4-2.7121.3
285S43.2Very low37.8Very low193 Ų193158.3 Ų158.3100%1.3587%0.873SS**  trans86.40150.8-67.40000117.3

Retrieved 285 of 285 residues in 252.1 ms (Link to these results)