A0A087XNZ6_POEFO Loading...

Probable RNA polymerase II nuclear localization protein SLC7A6OS

Directs RNA polymerase II nuclear import.

AlphaFold DB , UniProt , Accession A0A087XNZ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 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
1M55.2Low76.1Confident96 Ų9676.3 Ų76.347%0.47340%0.399SS..  0111.60-72.5-54.8165.900105.4V71 R72 L75 Y216M1-V71 HydrophobicContact CE-CB 4.38Å; M1-V71 HydrophobicContact CE-CG1 3.74Å; M1-V71 HydrophobicContact SD-CG1 4.36Å; M1-R72 HydrophobicContact CE-CB 3.92Å; M1-R72 HydrophobicContact CE-CG 3.36Å; M1-R72 HydrophobicContact CG-CG 3.49Å; M1-R72 VanDerWaalsContact CG-CG 3.49Å; M1-R72 HydrophobicContact SD-CG 4.32Å; M1-L75 HydrophobicContact CE-CB 4.43Å; M1-L75 HydrophobicContact CE-CD1 3.53Å; M1-L75 HydrophobicContact CE-CG 4.3Å; M1-L75 HydrophobicContact SD-CD1 4.19Å; M1-Y216 HydrophobicContact SD-CE2 4.36Å
2D57.3Low77.2Confident100 Ų10073.9 Ų73.954%0.53538%0.381SS..  trans-66.1141.1177.6-55.5-51.9000107.9N4 T5D2-N4 PolarHBondContact O-N 2.84Å; D2-T5 PolarHBondContact O-N 2.98Å; D2-T5 PolarHBondContact O-OG1 3.06Å
3P59.2Low78.2Confident129 Ų12977.8 Ų77.884%0.83839%0.393SS*.THydrogen-bonded Turntrans-62.3-7.9-176.124-33.2000113.6
4N63.5Low78.8Confident95 Ų9581.4 Ų81.451%0.50840%0.399SS..THydrogen-bonded Turntrans-111.710.1-173.1-62.513.2000113.3D2 T6 V220D2-N4 PolarHBondContact O-N 2.84Å; N4-T6 PolarHBondContact O-N 3.37Å; N4-V220 HydrophobicContact CB-CG1 3.57Å; N4-V220 WeakPolarHBondContact O-CG1 3.45Å
5T73.1Confident79Confident29 Ų2981.5 Ų81.518%0.17843%0.43CS..  trans-70.1129.5178.3-59.90000111.8D2 I7 Y216D2-T5 PolarHBondContact O-N 2.98Å; D2-T5 PolarHBondContact O-OG1 3.06Å; T5-I7 HydrophobicContact CG2-CG1 4.19Å; T5-Y216 HydrophobicContact CG2-CD2 3.38Å; T5-Y216 HydrophobicContact CG2-CE2 3.06Å; T5-Y216 HydrophobicContact CG2-CG 4.5Å
6T80.9Confident79.4Confident36 Ų3681.7 Ų81.722%0.22144%0.435CS..  trans-93137.3170.3-52.50000111.9N4 F54 I225N4-T6 PolarHBondContact O-N 3.37Å; T6-F54 HydrophobicContact CG2-CE1 4.09Å; T6-F54 HydrophobicContact CG2-CZ 4.29Å; T6-I225 HydrophobicContact CG2-CD1 3.5Å; T6-I225 HydrophobicContact CG2-CG1 4.42Å
7I85.6Confident79.8Confident58 Ų5884.1 Ų84.130%0.29745%0.449SS..EExtended strand (participates in β ladder)trans-127.7130179.7-62.5163.5000108.9T5 V67 V71 Y215T5-I7 HydrophobicContact CG2-CG1 4.19Å; I7-V67 HydrophobicContact CD1-CG1 3.83Å; I7-V67 HydrophobicContact CG2-CG1 3.89Å; I7-V71 HydrophobicContact CD1-CG2 4.15Å; I7-Y215 CarbonylContact C-O 3.48Å; I7-Y215 VanDerWaalsContact CA-O 3.29Å; I7-Y215 WeakPolarHBondContact CA-O 3.36Å; I7-Y215 WeakPolarHBondContact CG2-O 3.16Å
8L87.4Confident80.3Confident34 Ų3480.7 Ų80.718%0.17843%0.432CS..EExtended strand (participates in β ladder)trans-96.3138.5171.5-54.6177.9000109.7F54 L214 Y215L8-F54 HydrophobicContact CD1-CB 4.02Å; L8-F54 HydrophobicContact CD1-CD1 3.74Å; L8-F54 HydrophobicContact CD1-CD2 3.6Å; L8-F54 HydrophobicContact CD1-CE1 4.05Å; L8-F54 HydrophobicContact CD1-CE2 3.94Å; L8-F54 HydrophobicContact CD1-CG 3.5Å; L8-F54 HydrophobicContact CD1-CZ 4.16Å; L8-F54 HydrophobicContact CD2-CE1 4.29Å; L8-F54 HydrophobicContact CD2-CZ 4.41Å; L8-F54 HydrophobicContact CG-CD1 3.63Å; L8-F54 HydrophobicContact CG-CD2 4.36Å; L8-F54 HydrophobicContact CG-CE1 3.72Å; L8-F54 HydrophobicContact CG-CE2 4.44Å; L8-F54 HydrophobicContact CG-CG 3.97Å; L8-F54 HydrophobicContact CG-CZ 4.16Å; L8-L214 CarbonylContact O-C 3.55Å; L8-L214 WeakPolarHBondContact O-CA 3.24Å; L8-Y215 PolarHBondContact N-O 3.07Å; L8-Y215 PolarHBondContact O-N 3.12Å
9R90.6Very high80.7Confident119 Ų11978 Ų7845%0.44942%0.422SS..EExtended strand (participates in β ladder)trans-118.4114.8174.3179.7177.252.6-171.3-8.9108.9Q63 Y212 D213 L214R9-Q63 VanDerWaalsContact NH1-CG 3.33Å; R9-Q63 PolarHBondContact NH1-O 3.23Å; R9-Y212 HydrophobicContact CG-CD1 4.09Å; R9-Y212 HydrophobicContact CG-CG 4.43Å; R9-D213 CarbonylContact C-O 3.56Å; R9-D213 VanDerWaalsContact CA-O 3.31Å; R9-D213 WeakPolarHBondContact CA-O 3.37Å; R9-L214 HydrophobicContact CB-CD2 4.05Å; R9-L214 HydrophobicContact CG-CD2 3.95Å
10V91.1Very high80.9Confident52 Ų5278.4 Ų78.432%0.31542%0.424SS..EExtended strand (participates in β ladder)trans-108.7119.8-174.9179.70000109.8L22 Y212 D213 Y215V10-L22 HydrophobicContact CG2-CD1 3.79Å; V10-Y212 CarbonylContact O-C 3.57Å; V10-Y212 WeakPolarHBondContact O-CA 3.27Å; V10-D213 HydrophobicContact CB-CB 4.45Å; V10-D213 PolarHBondContact N-O 2.87Å; V10-D213 PolarHBondContact O-N 3.45Å; V10-Y215 HydrophobicContact CB-CE2 4.05Å; V10-Y215 HydrophobicContact CG2-CD2 3.87Å; V10-Y215 HydrophobicContact CG2-CE2 3.71Å
11K92.9Very high81.2Confident91 Ų9175.1 Ų75.140%0.39641%0.408SS..EExtended strand (participates in β ladder)trans-81.8124.1174.2-176177.5177.4174.50109.1D207 Y210 Y212K11-D207 IonicContact NZ-OD1 3.11Å; K11-Y210 HydrophobicContact CD-CD1 4.15Å; K11-Y210 HydrophobicContact CD-CG 4.17Å; K11-Y210 HydrophobicContact CG-CD1 3.78Å; K11-Y210 HydrophobicContact CG-CG 4.02Å; K11-Y212 HydrophobicContact CB-CD1 3.93Å; K11-Y212 HydrophobicContact CB-CE1 3.89Å; K11-Y212 HydrophobicContact CD-CE1 4.01Å; K11-Y212 HydrophobicContact CG-CD1 4.26Å; K11-Y212 HydrophobicContact CG-CE1 3.86Å
12R89.8Confident82.8Confident48 Ų4871.2 Ų71.218%0.18139%0.389CS..EExtended strand (participates in β ladder)trans-134158.7174.966.9166.9174.2102.1-12.2111.4T16 Y210 V211 D213R12-T16 PolarHBondContact NH1-O 2.95Å; R12-Y210 CarbonylContact O-C 3.53Å; R12-Y210 VanDerWaalsContact O-CA 3.26Å; R12-Y210 WeakPolarHBondContact O-CA 3.32Å; R12-Y210 WeakPolarHBondContact O-CD1 3.31Å; R12-V211 HydrophobicContact CG-CG2 3.53Å; R12-V211 PolarHBondContact N-O 2.75Å; R12-V211 PolarHBondContact O-N 3.38Å; R12-V211 VanDerWaalsContact O-O 3.13Å; R12-D213 WeakPolarHBondContact CD-OD2 3.42Å; R12-D213 WeakPolarHBondContact CG-OD2 3.21Å; R12-D213 IonicContact CZ-OD1 3.74Å; R12-D213 IonicContact CZ-OD2 3.71Å; R12-D213 VanDerWaalsContact NE-CG 3.31Å; R12-D213 IonicContact NE-OD1 3.43Å; R12-D213 PolarHBondContact NE-OD1 3Å; R12-D213 VanDerWaalsContact NE-OD1 3.11Å; R12-D213 IonicContact NE-OD2 2.75Å; R12-D213 PolarHBondContact NE-OD2 3.41Å; R12-D213 IonicContact NH2-OD1 3.4Å; R12-D213 PolarHBondContact NH2-OD1 3.43Å
13K90.3Very high84.2Confident124 Ų12467.5 Ų67.554%0.53937%0.369SS..EExtended strand (participates in β ladder)trans-71.4150.6172.7-72.8-169.1173.6-174.10111.3Y210K13-Y210 HydrophobicContact CD-CE1 4.41Å; K13-Y210 WeakPolarHBondContact CE-OH 3.37Å; K13-Y210 HydrophobicContact CG-CD1 3.95Å; K13-Y210 HydrophobicContact CG-CE1 3.46Å; K13-Y210 VanDerWaalsContact CG-CE1 3.46Å
14R86.3Confident85.6Confident128 Ų12861.5 Ų61.548%0.48333%0.329SS..THydrogen-bonded Turntrans-63135.6169-71.2179.7-169.6-98.61.1109.8D208 D209 Y210 V211R14-D208 WeakPolarHBondContact CD-O 3.38Å; R14-D208 PolarHBondContact NE-O 3.35Å; R14-D208 PolarHBondContact NH2-O 3.45Å; R14-D209 WeakPolarHBondContact CG-O 3.3Å; R14-D209 PolarHBondContact N-O 3.11Å; R14-Y210 PolarHBondContact NH2-O 2.87Å; R14-V211 HydrophobicContact CG-CG1 3.75Å
15G81.7Confident86.6Confident83 Ų8357.3 Ų57.386%0.85631%0.308SS*.THydrogen-bonded Turntrans96-11.3-179.900000115.5
16T85.7Confident87.1Confident85 Ų8555.9 Ų55.952%0.52130%0.299SS..SBendtrans-89.4137.8168.2-51.10000109.8R12R12-T16 PolarHBondContact NH1-O 2.95Å
17D86.1Confident87Confident123 Ų12357.7 Ų57.766%0.65830%0.304SS*.PPolyproline II helixtrans-73.7136.9176.3-77-18.3000111.2R85D17-R85 IonicContact OD2-NH2 2.73Å
18P88.6Confident86.2Confident22 Ų2257.3 Ų57.314%0.14330%0.299CS..PPolyproline II helixtrans-71.2148.6173.332.1-34.6000110.4L56 D213P18-L56 HydrophobicContact CB-CD1 4.49Å; P18-L56 HydrophobicContact CB-CD2 3.85Å; P18-L56 HydrophobicContact CG-CD2 3.7Å; P18-D213 WeakPolarHBondContact CB-OD2 3.48Å
19A87.6Confident84.9Confident30 Ų3060 Ų6025%0.24831%0.313CS..PPolyproline II helixtrans-68.8141.8169.200000109.7L22 Y215 A233A19-L22 HydrophobicContact CB-CD2 4Å; A19-Y215 PolarHBondContact N-OH 3.31Å; A19-Y215 WeakPolarHBondContact O-CE1 3.36Å; A19-Y215 VanDerWaalsContact O-CZ 3.3Å; A19-Y215 PolarHBondContact O-OH 2.92Å; A19-A233 HydrophobicContact CB-CB 3.95Å
20D85.4Confident83.3Confident86 Ų8664.6 Ų64.646%0.4633%0.33SS..SBendtrans-73.7-31.3-179-65-32.8000111.7L56 R85D20-L56 VanDerWaalsContact O-CB 3.3Å; D20-L56 WeakPolarHBondContact O-CB 3.2Å; D20-L56 PolarHBondContact O-N 2.93Å; D20-R85 IonicContact OD1-CZ 2.78Å; D20-R85 IonicContact OD1-NH1 3.43Å; D20-R85 PolarHBondContact OD1-NH1 2.55Å; D20-R85 WeakPolarHBondContact OD2-CD 2.8Å
21A87.6Confident81.4Confident10 Ų1066 Ų668%0.08334%0.34CS..EExtended strand (participates in β ladder)trans-146158.717100000111.6V53 F54 K55 Y234A21-V53 HydrophobicContact CB-CG1 4.28Å; A21-F54 CarbonylContact C-O 3.6Å; A21-F54 WeakPolarHBondContact CA-O 3.17Å; A21-F54 WeakPolarHBondContact CB-O 3.41Å; A21-K55 HydrophobicContact CB-CG 4.45Å; A21-Y234 HydrophobicContact CB-CD1 4.25Å; A21-Y234 HydrophobicContact CB-CG 4.39Å; A21-Y234 PolarHBondContact O-N 2.81Å
22L88.2Confident79Confident14 Ų1471 Ų717%0.07336%0.364CS..EExtended strand (participates in β ladder)trans-123.8134177.1-62.6173.8000109.4V10 A19 V53 F54 Y215 V231 R232V10-L22 HydrophobicContact CG2-CD1 3.79Å; A19-L22 HydrophobicContact CB-CD2 4Å; L22-V53 WeakPolarHBondContact O-CA 3.47Å; L22-F54 HydrophobicContact CB-CB 4.41Å; L22-F54 PolarHBondContact N-O 3.24Å; L22-F54 PolarHBondContact O-N 3.47Å; L22-Y215 HydrophobicContact CD1-CD1 3.92Å; L22-Y215 HydrophobicContact CD1-CD2 3.66Å; L22-Y215 HydrophobicContact CD1-CE1 3.89Å; L22-Y215 HydrophobicContact CD1-CE2 3.6Å; L22-Y215 HydrophobicContact CD1-CG 3.84Å; L22-Y215 HydrophobicContact CG-CD1 3.89Å; L22-Y215 HydrophobicContact CG-CD2 4.49Å; L22-Y215 HydrophobicContact CG-CE1 3.68Å; L22-Y215 HydrophobicContact CG-CE2 4.27Å; L22-Y215 HydrophobicContact CG-CG 4.32Å; L22-V231 HydrophobicContact CD1-CG1 4.43Å; L22-V231 HydrophobicContact CD2-CG1 4.33Å; L22-R232 CarbonylContact C-O 3.57Å; L22-R232 VanDerWaalsContact CA-O 3.29Å; L22-R232 WeakPolarHBondContact CA-O 3.28Å
23L87.3Confident76.7Confident22 Ų2273.2 Ų73.212%0.11539%0.387CS..EExtended strand (participates in β ladder)trans-97.5117.6169.1-170.8130.3000108.6V53 V231 R232 Y234L23-V53 HydrophobicContact CD1-CG2 4.3Å; L23-V231 WeakPolarHBondContact O-CA 3.37Å; L23-R232 PolarHBondContact N-O 3.24Å; L23-R232 PolarHBondContact O-N 2.84Å; L23-Y234 HydrophobicContact CB-CD2 4.27Å; L23-Y234 HydrophobicContact CD1-CD2 3.93Å; L23-Y234 HydrophobicContact CD1-CE2 4.19Å
24L87.6Confident74.4Confident2 Ų272.3 Ų72.31%0.0140%0.397CS..EExtended strand (participates in β ladder)trans-106.2116.4178.5-177.973.1000109.1N51 S52 F54 I225 I228 V231L24-N51 WeakPolarHBondContact O-CA 3.38Å; L24-S52 PolarHBondContact N-O 3.24Å; L24-S52 PolarHBondContact O-N 3.15Å; L24-F54 HydrophobicContact CB-CD2 3.99Å; L24-F54 HydrophobicContact CB-CE2 3.76Å; L24-F54 HydrophobicContact CD2-CE2 3.67Å; L24-F54 HydrophobicContact CD2-CZ 4.15Å; L24-F54 HydrophobicContact CG-CE2 4.37Å; L24-I225 HydrophobicContact CD2-CD1 3.64Å; L24-I225 HydrophobicContact CD2-CG1 4.43Å; L24-I225 HydrophobicContact CD2-CG2 4.06Å; L24-I228 HydrophobicContact CD1-CB 4.5Å; L24-I228 HydrophobicContact CD1-CG1 4.25Å; L24-I228 HydrophobicContact CD1-CG2 3.61Å; L24-V231 HydrophobicContact CD1-CG2 3.56Å
25A85.4Confident72.5Confident7 Ų775.7 Ų75.76%0.05842%0.418CS..EExtended strand (participates in β ladder)trans-96.1122.9169.700000108.8V49 N51 L229 S230A25-V49 HydrophobicContact CB-CG1 4.04Å; A25-N51 WeakPolarHBondContact CB-OD1 3.39Å; A25-L229 HydrophobicContact CB-CB 4.35Å; A25-L229 WeakPolarHBondContact O-CB 3.4Å; A25-L229 PolarHBondContact O-N 2.81Å; A25-S230 PolarHBondContact N-O 3.4Å; A25-S230 PolarHBondContact O-N 3.03Å
26C82.9Confident70.3Confident0 Ų077.3 Ų77.30%042%0.416CS..EExtended strand (participates in β ladder)trans-148.3157.2-17963.40000111.8E50 I225 Q226 D227C26-E50 PolarHBondContact N-O 3.09Å; C26-E50 PolarHBondContact O-N 3.16Å; C26-I225 HydrophobicContact CB-CG2 3.9Å; C26-Q226 WeakPolarHBondContact CB-O 3.45Å; C26-D227 WeakPolarHBondContact CA-O 3.34Å
27K79.8Confident68.3Low74 Ų7479.2 Ų79.232%0.32243%0.433SS..EExtended strand (participates in β ladder)trans-92.9133169.5-61.9179.6165.1-1680109.1A47 Q226 D227 L229K27-A47 HydrophobicContact CB-CB 4.48Å; K27-A47 HydrophobicContact CD-CB 3.82Å; K27-A47 HydrophobicContact CG-CB 4.24Å; K27-Q226 PolarHBondContact N-O 2.85Å; K27-Q226 CarbonylContact O-C 3.42Å; K27-Q226 VanDerWaalsContact O-C 3.25Å; K27-D227 HydrophobicContact CB-CB 4.12Å; K27-D227 PolarHBondContact N-O 2.91Å; K27-L229 HydrophobicContact CG-CD1 4.2Å
28R67.8Low66Low50 Ų5076.7 Ų76.719%0.18944%0.436CS..EExtended strand (participates in β ladder)trans-106.8136.9-179.7-66.5173.876.5127.45.3111.2E50 T221 P222R28-E50 VanDerWaalsContact CD-CD 3.4Å; R28-E50 WeakPolarHBondContact CD-OE2 3.42Å; R28-E50 IonicContact CZ-OE1 3.16Å; R28-E50 IonicContact CZ-OE2 3.61Å; R28-E50 IonicContact NE-OE2 3.47Å; R28-E50 PolarHBondContact NE-OE2 3.13Å; R28-E50 IonicContact NH1-OE1 2.79Å; R28-E50 PolarHBondContact NH1-OE1 2.79Å; R28-E50 IonicContact NH1-OE2 3.9Å; R28-E50 PolarHBondContact NH1-OE2 3.29Å; R28-T221 PolarHBondContact NH1-OG1 2.97Å; R28-T221 PolarHBondContact NH2-O 3.49Å; R28-P222 PolarHBondContact NH2-O 3.41Å
29I60.7Low63.8Low91 Ų9184.6 Ų84.647%0.46747%0.471SS..PPolyproline II helixtrans-77.1121.9161.550.3163.3000108.7P31 Q226I29-P31 WeakPolarHBondContact O-CD 3.45Å; I29-Q226 VanDerWaalsContact CD1-OE1 3.29Å
30R57.8Low61.2Low215 Ų21589.2 Ų89.281%0.81150%0.497SS*.PPolyproline II helixtrans-65.4121.3168.1-167.3171.9-175.5159.90.9107E32R30-E32 PolarHBondContact O-N 3.35Å; R30-E32 VanDerWaalsContact O-N 3.15Å
31P49.8Very low59.4Low81 Ų8192 Ų9253%0.52652%0.516SS..PPolyproline II helixtrans-61.5123.5173.824.6-31000107.8I29 S33I29-P31 WeakPolarHBondContact O-CD 3.45Å; P31-S33 PolarHBondContact O-N 3.36Å
32E42.7Very low57.5Low195 Ų19596.9 Ų96.991%0.91155%0.547SS*.  trans-62.892.9-174.2-56.8-163.6-179.500110.9R30 S34R30-E32 PolarHBondContact O-N 3.35Å; R30-E32 VanDerWaalsContact O-N 3.15Å; E32-S34 PolarHBondContact O-N 2.84Å
33S42.2Very low55.3Low95 Ų95104.6 Ų104.666%0.66458%0.583SS**  trans-81.693.6163.860.30000108P31P31-S33 PolarHBondContact O-N 3.36Å
34S41.5Very low53.4Low105 Ų105109.3 Ų109.373%0.73462%0.615SS**  trans33.3101.8147.854.60000117.4E32E32-S34 PolarHBondContact O-N 2.84Å
35Q47Very low51.5Low200 Ų200116.1 Ų116.194%0.93565%0.651SS**  trans22100.7142.9-69.9176.6-25.900116.9
36S35.5Very low50.1Low117 Ų117124.9 Ų124.982%0.81869%0.691SS**  trans-112.7106.5136.560.10000107.8G38S36-G38 PolarHBondContact O-N 2.84Å
37S44Very low48.9Very low125 Ų125126.3 Ų126.387%0.87470%0.703SS**  trans-55.7122167.248.10000110.6
38G37.3Very low48.3Very low70 Ų70131.3 Ų131.372%0.72273%0.727SS**  trans154.894.9167.600000113.6S36S36-G38 PolarHBondContact O-N 2.84Å
39E41.6Very low48.6Very low187 Ų187132.2 Ų132.287%0.87474%0.738SS**  trans55.992.5137.1-163.3164.6-175.700118.4
40T32.9Very low49.5Very low128 Ų128130.7 Ų130.779%0.78573%0.729SS**  179.1137.4115.726.40000107.5P42T40-P42 WeakPolarHBondContact O-CD 3.39Å
41V48.7Very low50.7Low143 Ų143125 Ų12587%0.86771%0.714SS**  trans-66.7115.7172.7173.70000107.4
42P46.1Very low52.4Low114 Ų114121.3 Ų121.374%0.7469%0.691SS**  trans-83.6132.6164.9911.3000107.8T40T40-P42 WeakPolarHBondContact O-CD 3.39Å
43E43.9Very low54.5Low176 Ų176114.5 Ų114.582%0.82266%0.662SS**  trans-49.5161.4164.7-92.7-167147.700112.4D45E43-D45 PolarHBondContact O-N 2.99Å
44P46.3Very low56.6Low121 Ų121110 Ų11079%0.78663%0.631SS**SBendtrans-67.295.6-163.129.4-34.6000112E46P44-E46 PolarHBondContact O-N 3.26Å
45D48.5Very low58.8Low144 Ų144109.7 Ų109.777%0.7762%0.616SS**  trans30.366.1141.1-143.510.1000115.9E43 A47E43-D45 PolarHBondContact O-N 2.99Å; D45-A47 PolarHBondContact O-N 2.7Å
46E54.6Low60.8Low192 Ų192102.1 Ų102.190%0.89758%0.582SS**  trans-69.680.1151.6-65.8-150.8162.800107.3P44 E48P44-E46 PolarHBondContact O-N 3.26Å; E46-E48 PolarHBondContact O-N 3.3Å
47A57.8Low63.3Low29 Ų2997.5 Ų97.524%0.2455%0.549CS..  trans-51107.5176.600000109.3K27 D45 V49K27-A47 HydrophobicContact CB-CB 4.48Å; K27-A47 HydrophobicContact CD-CB 3.82Å; K27-A47 HydrophobicContact CG-CB 4.24Å; D45-A47 PolarHBondContact O-N 2.7Å; A47-V49 PolarHBondContact O-N 2.77Å
48E66.8Low65.4Low179 Ų17992.6 Ų92.684%0.83652%0.516SS*.  trans-52.6120-175.3-169176.2-176.100109.2E46 E50E46-E48 PolarHBondContact O-N 3.3Å; E48-E50 PolarHBondContact O-N 3.02Å
49V75.5Confident67.9Low69 Ų6992.4 Ų92.442%0.41850%0.501SS..EExtended strand (participates in β ladder)trans-77.8114.5-178.7176.20000108.2A25 A47 L229A25-V49 HydrophobicContact CB-CG1 4.04Å; A47-V49 PolarHBondContact O-N 2.77Å; V49-L229 HydrophobicContact CB-CD1 4.25Å; V49-L229 HydrophobicContact CG1-CD1 3.68Å; V49-L229 HydrophobicContact CG2-CD1 3.53Å
50E79.7Confident70.3Confident59 Ų5984 Ų8428%0.27646%0.462SS..EExtended strand (participates in β ladder)trans-89126.6176.4-171.7178.9133.400110C26 R28 E48 S52 T221C26-E50 PolarHBondContact N-O 3.09Å; C26-E50 PolarHBondContact O-N 3.16Å; R28-E50 VanDerWaalsContact CD-CD 3.4Å; R28-E50 WeakPolarHBondContact CD-OE2 3.42Å; R28-E50 IonicContact CZ-OE1 3.16Å; R28-E50 IonicContact CZ-OE2 3.61Å; R28-E50 IonicContact NE-OE2 3.47Å; R28-E50 PolarHBondContact NE-OE2 3.13Å; R28-E50 IonicContact NH1-OE1 2.79Å; R28-E50 PolarHBondContact NH1-OE1 2.79Å; R28-E50 IonicContact NH1-OE2 3.9Å; R28-E50 PolarHBondContact NH1-OE2 3.29Å; E48-E50 PolarHBondContact O-N 3.02Å; E50-S52 PolarHBondContact OE1-OG 3.33Å; E50-T221 WeakPolarHBondContact OE1-CB 3.3Å; E50-T221 WeakPolarHBondContact OE1-CG2 3.44Å; E50-T221 PolarHBondContact OE1-OG1 3.08Å
51N83.2Confident72.9Confident95 Ų9580.3 Ų80.351%0.50845%0.445SS..EExtended strand (participates in β ladder)trans-94.9118170.4-67.7-28.1000109.5L24 A25L24-N51 WeakPolarHBondContact O-CA 3.38Å; A25-N51 WeakPolarHBondContact CB-OD1 3.39Å
52S83.9Confident74.7Confident5 Ų577.4 Ų77.44%0.03543%0.428CS..EExtended strand (participates in β ladder)trans-116131.1177.9-74.80000111L24 E50 Q217L24-S52 PolarHBondContact N-O 3.24Å; L24-S52 PolarHBondContact O-N 3.15Å; E50-S52 PolarHBondContact OE1-OG 3.33Å; S52-Q217 PolarHBondContact OG-NE2 3.46Å
53V86.9Confident76.6Confident51 Ų5176.3 Ų76.331%0.30941%0.413SS..EExtended strand (participates in β ladder)trans-95.7125.8177.7-178.50000110.5A21 L22 L23A21-V53 HydrophobicContact CB-CG1 4.28Å; L22-V53 WeakPolarHBondContact O-CA 3.47Å; L23-V53 HydrophobicContact CD1-CG2 4.3Å
54F87.1Confident78.5Confident0 Ų075.1 Ų75.10%041%0.412CS..EExtended strand (participates in β ladder)trans-114.3123178.7-70.8-96.3000110T6 L8 A21 L22 L24 Y216 Q217 I225T6-F54 HydrophobicContact CG2-CE1 4.09Å; T6-F54 HydrophobicContact CG2-CZ 4.29Å; L8-F54 HydrophobicContact CD1-CB 4.02Å; L8-F54 HydrophobicContact CD1-CD1 3.74Å; L8-F54 HydrophobicContact CD1-CD2 3.6Å; L8-F54 HydrophobicContact CD1-CE1 4.05Å; L8-F54 HydrophobicContact CD1-CE2 3.94Å; L8-F54 HydrophobicContact CD1-CG 3.5Å; L8-F54 HydrophobicContact CD1-CZ 4.16Å; L8-F54 HydrophobicContact CD2-CE1 4.29Å; L8-F54 HydrophobicContact CD2-CZ 4.41Å; L8-F54 HydrophobicContact CG-CD1 3.63Å; L8-F54 HydrophobicContact CG-CD2 4.36Å; L8-F54 HydrophobicContact CG-CE1 3.72Å; L8-F54 HydrophobicContact CG-CE2 4.44Å; L8-F54 HydrophobicContact CG-CG 3.97Å; L8-F54 HydrophobicContact CG-CZ 4.16Å; A21-F54 CarbonylContact C-O 3.6Å; A21-F54 WeakPolarHBondContact CA-O 3.17Å; A21-F54 WeakPolarHBondContact CB-O 3.41Å; L22-F54 HydrophobicContact CB-CB 4.41Å; L22-F54 PolarHBondContact N-O 3.24Å; L22-F54 PolarHBondContact O-N 3.47Å; L24-F54 HydrophobicContact CB-CD2 3.99Å; L24-F54 HydrophobicContact CB-CE2 3.76Å; L24-F54 HydrophobicContact CD2-CE2 3.67Å; L24-F54 HydrophobicContact CD2-CZ 4.15Å; L24-F54 HydrophobicContact CG-CE2 4.37Å; F54-Y216 CarbonylContact C-O 3.53Å; F54-Y216 WeakPolarHBondContact CA-O 3.39Å; F54-Q217 HydrophobicContact CD1-CB 3.87Å; F54-Q217 HydrophobicContact CE1-CB 3.66Å; F54-Q217 HydrophobicContact CE1-CG 4.34Å; F54-Q217 HydrophobicContact CZ-CB 4.17Å; F54-Q217 HydrophobicContact CZ-CG 4.36Å; F54-I225 HydrophobicContact CZ-CD1 4.03Å
55K87.9Confident80.3Confident99 Ų9970 Ų7043%0.4338%0.38SS..EExtended strand (participates in β ladder)trans-97.7140.9-178-64.2177.9-178.8174.20111A21 V57 Y215 Y216 E218A21-K55 HydrophobicContact CB-CG 4.45Å; K55-V57 WeakPolarHBondContact O-CG2 3.5Å; K55-V57 PolarHBondContact O-N 3.13Å; K55-Y215 CarbonylContact O-C 3.58Å; K55-Y215 WeakPolarHBondContact O-CA 3.46Å; K55-Y216 PolarHBondContact N-O 2.85Å; K55-Y216 PolarHBondContact O-N 3.22Å; K55-E218 IonicContact NZ-OE2 3.51Å; K55-E218 PolarHBondContact NZ-OE2 3.3Å
56L88.5Confident81.9Confident42 Ų4267.2 Ų67.222%0.2237%0.369CS..EExtended strand (participates in β ladder)trans-64.1131.5176.7-179.265.4000110.1P18 D20 D213 Y215P18-L56 HydrophobicContact CB-CD1 4.49Å; P18-L56 HydrophobicContact CB-CD2 3.85Å; P18-L56 HydrophobicContact CG-CD2 3.7Å; D20-L56 VanDerWaalsContact O-CB 3.3Å; D20-L56 WeakPolarHBondContact O-CB 3.2Å; D20-L56 PolarHBondContact O-N 2.93Å; L56-D213 HydrophobicContact CD1-CB 3.71Å; L56-Y215 HydrophobicContact CB-CD1 4Å; L56-Y215 HydrophobicContact CB-CE1 3.69Å; L56-Y215 HydrophobicContact CD1-CD1 4.49Å; L56-Y215 HydrophobicContact CD1-CE1 4.06Å; L56-Y215 HydrophobicContact CD1-CE2 4.1Å; L56-Y215 HydrophobicContact CG-CE1 4.45Å
57V87.9Confident83.3Confident19 Ų1959.8 Ų59.812%0.11534%0.337CS..EExtended strand (participates in β ladder)trans-117.7-42.3-176.7178.20000112.2K55 V71 A74 L214 Y216K55-V57 WeakPolarHBondContact O-CG2 3.5Å; K55-V57 PolarHBondContact O-N 3.13Å; V57-V71 HydrophobicContact CG1-CB 4.34Å; V57-V71 HydrophobicContact CG1-CG1 4.3Å; V57-V71 HydrophobicContact CG1-CG2 4.19Å; V57-A74 HydrophobicContact CG1-CB 3.23Å; V57-A74 WeakPolarHBondContact O-CB 3.31Å; V57-L214 PolarHBondContact N-O 3.05Å; V57-Y216 HydrophobicContact CG2-CG 4.34Å
58A88.1Confident84.4Confident23 Ų2364.9 Ų64.919%0.1936%0.356CS..EExtended strand (participates in β ladder)trans-160.2154.9-178.300000111.5L214A58-L214 HydrophobicContact CB-CD1 4.33Å; A58-L214 PolarHBondContact N-O 3.08Å; A58-L214 PolarHBondContact O-N 3.12Å
59T90.7Very high85.2Confident65 Ų6560.6 Ų60.640%0.39934%0.342SS..EExtended strand (participates in β ladder)trans-112.8130.8168.4-57.70000109.2V211 Y212 D213T59-V211 HydrophobicContact CG2-CB 3.74Å; T59-V211 HydrophobicContact CG2-CG1 4.45Å; T59-V211 HydrophobicContact CG2-CG2 3.82Å; T59-Y212 CarbonylContact C-O 3.55Å; T59-Y212 WeakPolarHBondContact CA-O 3.44Å; T59-D213 WeakPolarHBondContact CB-OD1 3.29Å; T59-D213 VanDerWaalsContact CG2-OD1 3.23Å; T59-D213 WeakPolarHBondContact CG2-OD1 3.33Å; T59-D213 PolarHBondContact OG1-OD1 2.81Å
60V90.9Very high85.6Confident10 Ų1059.6 Ų59.66%0.06133%0.333CS..EExtended strand (participates in β ladder)trans-115.6147.9176.7-58.20000111.9T62 A65 V211 Y212 L214V60-T62 VanDerWaalsContact CG2-O 3.28Å; V60-T62 WeakPolarHBondContact CG2-O 3.44Å; V60-A65 HydrophobicContact CB-CB 3.9Å; V60-A65 HydrophobicContact CG1-CB 3.93Å; V60-A65 HydrophobicContact CG2-CB 4.08Å; V60-V211 CarbonylContact O-C 3.25Å; V60-V211 WeakPolarHBondContact O-CA 3.39Å; V60-Y212 HydrophobicContact CG2-CD2 4.4Å; V60-Y212 HydrophobicContact CG2-CG 4.39Å; V60-Y212 WeakPolarHBondContact CG2-O 3.23Å; V60-Y212 PolarHBondContact N-O 3.2Å; V60-Y212 PolarHBondContact O-N 3.12Å; V60-L214 HydrophobicContact CG1-CD1 4.04Å
61A88.3Confident85.7Confident51 Ų5156.8 Ų56.842%0.42132%0.32SS..SBendtrans-74.9-34.6175.800000112.5
62T86.8Confident85.7Confident83 Ų8358.9 Ų58.951%0.50932%0.321SS..SBendtrans-116.7144.1-170.756.90000111.8V60 D64 A65V60-T62 VanDerWaalsContact CG2-O 3.28Å; V60-T62 WeakPolarHBondContact CG2-O 3.44Å; T62-D64 VanDerWaalsContact C-N 3.32Å; T62-D64 PolarHBondContact O-N 3.07Å; T62-A65 WeakPolarHBondContact O-CB 3.41Å; T62-A65 PolarHBondContact O-N 2.79Å
63Q86.3Confident85.7Confident90 Ų9064 Ų6442%0.42134%0.344SS..THydrogen-bonded Turntrans-58.7-42178.1-172.8166.2-25.100112.7R9 A65 Y212R9-Q63 VanDerWaalsContact NH1-CG 3.33Å; R9-Q63 PolarHBondContact NH1-O 3.23Å; Q63-A65 PolarHBondContact O-N 3.49Å; Q63-Y212 HydrophobicContact CB-CE1 3.9Å; Q63-Y212 HydrophobicContact CB-CE2 4.04Å; Q63-Y212 HydrophobicContact CG-CE1 4.06Å; Q63-Y212 PolarHBondContact OE1-OH 2.91Å
64D83.8Confident85.4Confident151 Ų15161.8 Ų61.881%0.80733%0.332SS*.THydrogen-bonded Turntrans-8613.6-173.8-58.2-44.1000114.1T62T62-D64 VanDerWaalsContact C-N 3.32Å; T62-D64 PolarHBondContact O-N 3.07Å
65A82.5Confident85Confident13 Ų1365.5 Ų65.511%0.10735%0.351CS..SBendtrans-61.9144.4177.200000111.2V60 T62 Q63 V67V60-A65 HydrophobicContact CB-CB 3.9Å; V60-A65 HydrophobicContact CG1-CB 3.93Å; V60-A65 HydrophobicContact CG2-CB 4.08Å; T62-A65 WeakPolarHBondContact O-CB 3.41Å; T62-A65 PolarHBondContact O-N 2.79Å; Q63-A65 PolarHBondContact O-N 3.49Å; A65-V67 PolarHBondContact O-N 3.36Å
66P83.4Confident84.6Confident86 Ų8664.8 Ų64.856%0.55836%0.364SS*.  trans-69.393.5-177.928.1-35.2000111.4Q68 T69 Q70P66-Q68 PolarHBondContact O-N 3.3Å; P66-T69 PolarHBondContact O-N 3.47Å; P66-Q70 PolarHBondContact O-N 2.63Å
67V82.6Confident84Confident37 Ų3769.2 Ų69.222%0.22438%0.377CS..Hα-helixtrans-56.6-45.1-176.5178.50000112I7 A65 T69 Q70 V71 L214I7-V67 HydrophobicContact CD1-CG1 3.83Å; I7-V67 HydrophobicContact CG2-CG1 3.89Å; A65-V67 PolarHBondContact O-N 3.36Å; V67-T69 PolarHBondContact O-N 2.96Å; V67-Q70 PolarHBondContact O-N 3.44Å; V67-V71 HydrophobicContact CG1-CG2 4.03Å; V67-V71 WeakPolarHBondContact O-CB 3.42Å; V67-V71 VanDerWaalsContact O-CG2 3.29Å; V67-V71 WeakPolarHBondContact O-CG2 3.42Å; V67-V71 PolarHBondContact O-N 3.36Å; V67-L214 HydrophobicContact CB-CD1 4.47Å; V67-L214 HydrophobicContact CG1-CD1 4.08Å; V67-L214 HydrophobicContact CG1-CD2 4.12Å; V67-L214 HydrophobicContact CG2-CD1 4.4Å; V67-L214 HydrophobicContact CG2-CD2 4.05Å
68Q81.6Confident83.2Confident136 Ų13673 Ų7364%0.63640%0.403SS*.Hα-helixtrans-61.2-42.6-174-65.7-174.8-1.100113.2P66 R72P66-Q68 PolarHBondContact O-N 3.3Å; Q68-R72 WeakPolarHBondContact O-CB 3.38Å; Q68-R72 WeakPolarHBondContact O-CG 3.42Å; Q68-R72 PolarHBondContact O-N 3.01Å
69T84.1Confident81.9Confident89 Ų8980.8 Ų80.855%0.54643%0.427SS..Hα-helixtrans-67.5-41.7-178.6-55.50000110.9P66 V67 R72 Q73P66-T69 PolarHBondContact O-N 3.47Å; V67-T69 PolarHBondContact O-N 2.96Å; T69-R72 PolarHBondContact O-N 3.47Å; T69-Q73 WeakPolarHBondContact O-CB 3.21Å; T69-Q73 PolarHBondContact O-N 3.3Å
70Q83.5Confident80.1Confident47 Ų4781.1 Ų81.122%0.2244%0.436CS..Hα-helixtrans-69.4-42.6-179-64.5-178.812.900112.1P66 V67 R72 Q73 A74P66-Q70 PolarHBondContact O-N 2.63Å; V67-Q70 PolarHBondContact O-N 3.44Å; Q70-R72 VanDerWaalsContact C-N 3.33Å; Q70-R72 PolarHBondContact O-N 3.36Å; Q70-Q73 PolarHBondContact O-N 2.94Å; Q70-A74 VanDerWaalsContact O-CB 3.23Å; Q70-A74 WeakPolarHBondContact O-CB 3.46Å; Q70-A74 PolarHBondContact O-N 2.76Å
71V81.1Confident78.2Confident1 Ų184 Ų841%0.00646%0.461CS..Hα-helixtrans-63.5-41.3175.5175.50000110.3M1 I7 V57 V67 A74 L75 Y216M1-V71 HydrophobicContact CE-CB 4.38Å; M1-V71 HydrophobicContact CE-CG1 3.74Å; M1-V71 HydrophobicContact SD-CG1 4.36Å; I7-V71 HydrophobicContact CD1-CG2 4.15Å; V57-V71 HydrophobicContact CG1-CB 4.34Å; V57-V71 HydrophobicContact CG1-CG1 4.3Å; V57-V71 HydrophobicContact CG1-CG2 4.19Å; V67-V71 HydrophobicContact CG1-CG2 4.03Å; V67-V71 WeakPolarHBondContact O-CB 3.42Å; V67-V71 VanDerWaalsContact O-CG2 3.29Å; V67-V71 WeakPolarHBondContact O-CG2 3.42Å; V67-V71 PolarHBondContact O-N 3.36Å; V71-A74 PolarHBondContact O-N 2.85Å; V71-L75 HydrophobicContact CG1-CD1 4.1Å; V71-L75 HydrophobicContact CG1-CG 4.38Å; V71-L75 WeakPolarHBondContact O-CB 3.26Å; V71-L75 WeakPolarHBondContact O-CG 3.46Å; V71-L75 PolarHBondContact O-N 2.77Å; V71-Y216 HydrophobicContact CG1-CD2 3.79Å; V71-Y216 HydrophobicContact CG1-CE2 4.39Å; V71-Y216 HydrophobicContact CG1-CG 4.49Å
72R83.1Confident76.6Confident139 Ų13986.3 Ų86.353%0.52546%0.463SS..Hα-helixtrans-59.9-47.6173.8-76.7173.8-172.9-163.52.3112.4M1 Q68 T69 Q70 A74 A76M1-R72 HydrophobicContact CE-CB 3.92Å; M1-R72 HydrophobicContact CE-CG 3.36Å; M1-R72 HydrophobicContact CG-CG 3.49Å; M1-R72 VanDerWaalsContact CG-CG 3.49Å; M1-R72 HydrophobicContact SD-CG 4.32Å; Q68-R72 WeakPolarHBondContact O-CB 3.38Å; Q68-R72 WeakPolarHBondContact O-CG 3.42Å; Q68-R72 PolarHBondContact O-N 3.01Å; T69-R72 PolarHBondContact O-N 3.47Å; Q70-R72 VanDerWaalsContact C-N 3.33Å; Q70-R72 PolarHBondContact O-N 3.36Å; R72-A74 VanDerWaalsContact C-N 3.34Å; R72-A76 VanDerWaalsContact O-CB 3.29Å; R72-A76 WeakPolarHBondContact O-CB 3.44Å; R72-A76 PolarHBondContact O-N 3.28Å
73Q84.1Confident75.1Confident111 Ų11186.1 Ų86.152%0.51947%0.47SS..Hα-helixtrans-64.9-41-179.8-173.2-179.4800111.5T69 Q70 A76 R77T69-Q73 WeakPolarHBondContact O-CB 3.21Å; T69-Q73 PolarHBondContact O-N 3.3Å; Q70-Q73 PolarHBondContact O-N 2.94Å; Q73-A76 PolarHBondContact O-N 2.87Å; Q73-R77 WeakPolarHBondContact O-CG 3.49Å; Q73-R77 PolarHBondContact O-N 2.85Å
74A81.1Confident73.7Confident6 Ų688.9 Ų88.95%0.0549%0.487CS..Hα-helixtrans-71.2-37.5-178.900000112.7V57 Q70 V71 R72 A76 R77 H82V57-A74 HydrophobicContact CG1-CB 3.23Å; V57-A74 WeakPolarHBondContact O-CB 3.31Å; Q70-A74 VanDerWaalsContact O-CB 3.23Å; Q70-A74 WeakPolarHBondContact O-CB 3.46Å; Q70-A74 PolarHBondContact O-N 2.76Å; V71-A74 PolarHBondContact O-N 2.85Å; R72-A74 VanDerWaalsContact C-N 3.34Å; A74-A76 VanDerWaalsContact C-N 3.34Å; A74-R77 WeakPolarHBondContact O-CB 3.29Å; A74-R77 PolarHBondContact O-N 2.82Å; A74-H82 PolarHBondContact O-NE2 3.4Å
75L78.3Confident72.6Confident78 Ų7887.1 Ų87.141%0.40847%0.469SS..Hα-helixtrans-72.2-26172.8-68.1-176.2000113M1 V71 R77 Y216M1-L75 HydrophobicContact CE-CB 4.43Å; M1-L75 HydrophobicContact CE-CD1 3.53Å; M1-L75 HydrophobicContact CE-CG 4.3Å; M1-L75 HydrophobicContact SD-CD1 4.19Å; V71-L75 HydrophobicContact CG1-CD1 4.1Å; V71-L75 HydrophobicContact CG1-CG 4.38Å; V71-L75 WeakPolarHBondContact O-CB 3.26Å; V71-L75 WeakPolarHBondContact O-CG 3.46Å; V71-L75 PolarHBondContact O-N 2.77Å; L75-R77 VanDerWaalsContact C-N 3.26Å; L75-R77 PolarHBondContact O-N 2.83Å; L75-Y216 HydrophobicContact CD1-CD1 4.27Å; L75-Y216 HydrophobicContact CD1-CD2 4.06Å; L75-Y216 HydrophobicContact CD1-CE1 3.94Å; L75-Y216 HydrophobicContact CD1-CE2 3.67Å; L75-Y216 HydrophobicContact CD1-CG 4.36Å; L75-Y216 HydrophobicContact CD2-CD1 4.32Å; L75-Y216 HydrophobicContact CD2-CE1 4.43Å
76A79.7Confident71.6Confident84 Ų8489.3 Ų89.369%0.69448%0.482SS*.THydrogen-bonded Turntrans-74.4-15.2173.300000113.2R72 Q73 A74R72-A76 VanDerWaalsContact O-CB 3.29Å; R72-A76 WeakPolarHBondContact O-CB 3.44Å; R72-A76 PolarHBondContact O-N 3.28Å; Q73-A76 PolarHBondContact O-N 2.87Å; A74-A76 VanDerWaalsContact C-N 3.34Å
77R77Confident70.9Confident135 Ų13589 Ų8951%0.50948%0.481SS..SBendtrans-72.6142.5176.7-72.3173.6-177.2-178.81.1110.2Q73 A74 L75 R79Q73-R77 WeakPolarHBondContact O-CG 3.49Å; Q73-R77 PolarHBondContact O-N 2.85Å; A74-R77 WeakPolarHBondContact O-CB 3.29Å; A74-R77 PolarHBondContact O-N 2.82Å; L75-R77 VanDerWaalsContact C-N 3.26Å; L75-R77 PolarHBondContact O-N 2.83Å; R77-R79 PolarHBondContact O-N 3.48Å
78P69.9Low70.2Confident99 Ų9990.8 Ų90.864%0.64350%0.501SS*.  trans-54.1125.8176-24.333000111.4A80 A81P78-A80 PolarHBondContact O-N 2.83Å; P78-A81 PolarHBondContact O-N 2.91Å
79R61.2Low69.6Low185 Ų18588.4 Ų88.470%0.69850%0.499SS*.G310 helixtrans-54.3-28-177-70.7-179.5172.4-160.4-11.8113.6R77 A81 H82 A83 E218R77-R79 PolarHBondContact O-N 3.48Å; R79-A81 PolarHBondContact O-N 2.87Å; R79-H82 PolarHBondContact O-N 2.79Å; R79-H82 VanDerWaalsContact O-N 3.12Å; R79-A83 PolarHBondContact O-N 2.75Å; R79-E218 IonicContact CZ-OE1 3.91Å; R79-E218 IonicContact NH1-OE1 3.46Å; R79-E218 PolarHBondContact NH1-OE1 2.72Å; R79-E218 IonicContact NH2-OE1 3.72Å; R79-E218 PolarHBondContact NH2-OE1 2.97Å
80A52.4Low69.1Low73 Ų7386.3 Ų86.360%0.60349%0.488SS*.G310 helixtrans-58.4-30.3176.800000113.6P78 L84P78-A80 PolarHBondContact O-N 2.83Å; A80-L84 WeakPolarHBondContact O-CG 3.45Å
81A52.5Low68.7Low70 Ų7086.1 Ų86.158%0.57949%0.492SS*.G310 helixtrans-76-24.417900000113.1P78 R79P78-A81 PolarHBondContact O-N 2.91Å; R79-A81 PolarHBondContact O-N 2.87Å
82H54.4Low68.6Low100 Ų10092.5 Ų92.546%0.46352%0.521SS..THydrogen-bonded Turntrans-83.9-19.1179.6-69.8-70.8000112.9A74 R79A74-H82 PolarHBondContact O-NE2 3.4Å; R79-H82 PolarHBondContact O-N 2.79Å; R79-H82 VanDerWaalsContact O-N 3.12Å
83A55.8Low68.6Low79 Ų7994.5 Ų94.565%0.65353%0.529SS*.SBendtrans-86.7-8.2-179.900000113.9R79 R85R79-A83 PolarHBondContact O-N 2.75Å; A83-R85 VanDerWaalsContact C-N 3.26Å; A83-R85 PolarHBondContact O-N 2.92Å; A83-R85 VanDerWaalsContact O-N 3.12Å
84L56.2Low68.6Low147 Ų14793 Ų9377%0.7752%0.523SS*.  trans-89.951.8-175.2-60.6175.1000112A80A80-L84 WeakPolarHBondContact O-CG 3.45Å
85R61.2Low68.7Low114 Ų11497.3 Ų97.343%0.4354%0.544SS..PPolyproline II helixtrans-97.7122.1163.8-161176-176149.11.3108D17 D20 A83 S87D17-R85 IonicContact OD2-NH2 2.73Å; D20-R85 IonicContact OD1-CZ 2.78Å; D20-R85 IonicContact OD1-NH1 3.43Å; D20-R85 PolarHBondContact OD1-NH1 2.55Å; D20-R85 WeakPolarHBondContact OD2-CD 2.8Å; A83-R85 VanDerWaalsContact C-N 3.26Å; A83-R85 PolarHBondContact O-N 2.92Å; A83-R85 VanDerWaalsContact O-N 3.12Å; R85-S87 PolarHBondContact O-N 3.06Å
86P61.3Low69Low60 Ų6095.3 Ų95.339%0.3954%0.543SS..PPolyproline II helixtrans-58.2137.7172.822.9-30.4000108.9I94P86-I94 HydrophobicContact CB-CD1 4.12Å; P86-I94 HydrophobicContact CG-CD1 4.36Å
87S67.3Low69.4Low78 Ų7895.6 Ų95.655%0.54553%0.532SS..PPolyproline II helixtrans-51.8154.7173.764.70000110.7R85 S89 S90 S91R85-S87 PolarHBondContact O-N 3.06Å; S87-S89 PolarHBondContact O-N 2.86Å; S87-S89 VanDerWaalsContact O-N 3.11Å; S87-S90 CarbonylContact O-C 3.57Å; S87-S90 WeakPolarHBondContact O-CA 3.44Å; S87-S90 WeakPolarHBondContact O-CB 3.35Å; S87-S90 PolarHBondContact O-N 3.43Å; S87-S90 WeakPolarHBondContact OG-CB 3.48Å; S87-S90 PolarHBondContact OG-N 3.22Å; S87-S91 PolarHBondContact O-N 2.96Å
88A68.1Low69.8Low76 Ų7694 Ų9463%0.62853%0.534SS*.Hα-helixtrans-50.4-42.5-177.200000112.4S91 Q92A88-S91 PolarHBondContact O-N 3.34Å; A88-Q92 WeakPolarHBondContact O-CG 3.32Å; A88-Q92 PolarHBondContact O-N 2.82Å
89S70.2Confident70.7Confident86 Ų8698.7 Ų98.760%0.60154%0.538SS*.Hα-helixtrans-66.2-38.6175.6-49.80000113.4S87 R93S87-S89 PolarHBondContact O-N 2.86Å; S87-S89 VanDerWaalsContact O-N 3.11Å; S89-R93 PolarHBondContact O-N 2.85Å; S89-R93 VanDerWaalsContact O-N 3.11Å
90S73.8Confident71.6Confident44 Ų4492.9 Ų92.931%0.30853%0.526SS..Hα-helixtrans-66.8-42.7175179.70000111.3S87 Q92 R93 I94S87-S90 CarbonylContact O-C 3.57Å; S87-S90 WeakPolarHBondContact O-CA 3.44Å; S87-S90 WeakPolarHBondContact O-CB 3.35Å; S87-S90 PolarHBondContact O-N 3.43Å; S87-S90 WeakPolarHBondContact OG-CB 3.48Å; S87-S90 PolarHBondContact OG-N 3.22Å; S90-Q92 PolarHBondContact O-N 2.98Å; S90-R93 PolarHBondContact O-N 3.22Å; S90-I94 WeakPolarHBondContact O-CD1 3.32Å; S90-I94 VanDerWaalsContact O-CG1 3.24Å; S90-I94 WeakPolarHBondContact O-CG1 3.47Å; S90-I94 PolarHBondContact O-N 2.9Å
91S73.9Confident73Confident44 Ų4492.7 Ų92.731%0.30852%0.518SS..Hα-helixtrans-59.8-45175.6-175.30000111.9S87 A88 R93 I94 M95S87-S91 PolarHBondContact O-N 2.96Å; A88-S91 PolarHBondContact O-N 3.34Å; S91-R93 PolarHBondContact O-N 3.2Å; S91-I94 PolarHBondContact O-N 3.43Å; S91-M95 WeakPolarHBondContact O-CG 3.37Å; S91-M95 PolarHBondContact O-N 2.9Å
92Q79.8Confident74.4Confident134 Ų13495.9 Ų95.963%0.62652%0.518SS*.Hα-helixtrans-61.4-41.7175.7-73.2175.31.400112.5A88 S90 M95 G96A88-Q92 WeakPolarHBondContact O-CG 3.32Å; A88-Q92 PolarHBondContact O-N 2.82Å; S90-Q92 PolarHBondContact O-N 2.98Å; Q92-M95 HydrophobicContact CG-CE 4.43Å; Q92-M95 PolarHBondContact O-N 3.3Å; Q92-G96 PolarHBondContact O-N 3.48Å
93R83.5Confident75.3Confident182 Ų182100.3 Ų100.369%0.68753%0.531SS*.Hα-helixtrans-62-49.9175.3-171.5-174.4-59.1-169.90.5111.5S89 S90 S91 M95 G96 D97S89-R93 PolarHBondContact O-N 2.85Å; S89-R93 VanDerWaalsContact O-N 3.11Å; S90-R93 PolarHBondContact O-N 3.22Å; S91-R93 PolarHBondContact O-N 3.2Å; R93-M95 VanDerWaalsContact C-N 3.3Å; R93-M95 PolarHBondContact O-N 3.4Å; R93-G96 WeakPolarHBondContact O-CA 3.37Å; R93-G96 PolarHBondContact O-N 3.39Å; R93-D97 PolarHBondContact O-N 2.99Å
94I82.6Confident76.1Confident78 Ų7898.6 Ų98.640%0.452%0.515SS..Hα-helixtrans-58.8-42.6179-65.8162.9000110.7P86 S90 S91 D97 L98P86-I94 HydrophobicContact CB-CD1 4.12Å; P86-I94 HydrophobicContact CG-CD1 4.36Å; S90-I94 WeakPolarHBondContact O-CD1 3.32Å; S90-I94 VanDerWaalsContact O-CG1 3.24Å; S90-I94 WeakPolarHBondContact O-CG1 3.47Å; S90-I94 PolarHBondContact O-N 2.9Å; S91-I94 PolarHBondContact O-N 3.43Å; I94-D97 PolarHBondContact O-N 2.94Å; I94-L98 HydrophobicContact CG2-CD1 4.05Å; I94-L98 WeakPolarHBondContact O-CB 3.42Å; I94-L98 VanDerWaalsContact O-CG 3.27Å; I94-L98 WeakPolarHBondContact O-CG 3.23Å; I94-L98 PolarHBondContact O-N 3.48Å
95M83.4Confident76.8Confident97 Ų9794.6 Ų94.648%0.47850%0.496SS..Hα-helixtrans-65.8-37.9175.7-73.6-170.4-70.200112.8S91 Q92 R93 R99S91-M95 WeakPolarHBondContact O-CG 3.37Å; S91-M95 PolarHBondContact O-N 2.9Å; Q92-M95 HydrophobicContact CG-CE 4.43Å; Q92-M95 PolarHBondContact O-N 3.3Å; R93-M95 VanDerWaalsContact C-N 3.3Å; R93-M95 PolarHBondContact O-N 3.4Å; M95-R99 WeakPolarHBondContact O-CG 3.38Å; M95-R99 PolarHBondContact O-N 2.85Å; M95-R99 VanDerWaalsContact O-N 3.08Å
96G85.6Confident77.2Confident37 Ų3798 Ų9838%0.38151%0.509SS..Hα-helixtrans-60.9-47.6172.900000111.9Q92 R93 L98 R99 S100Q92-G96 PolarHBondContact O-N 3.48Å; R93-G96 WeakPolarHBondContact O-CA 3.37Å; R93-G96 PolarHBondContact O-N 3.39Å; G96-L98 PolarHBondContact O-N 2.82Å; G96-R99 PolarHBondContact O-N 3.47Å; G96-R99 VanDerWaalsContact O-N 3.12Å; G96-S100 PolarHBondContact O-N 3.46Å; G96-S100 PolarHBondContact O-OG 3.11Å
97D86.8Confident77.2Confident89 Ų89102.5 Ų102.548%0.47652%0.518SS..Hα-helixtrans-64.6-38.7178.8-66.6-16.9000111.8R93 I94 R99 S100 T101R93-D97 PolarHBondContact O-N 2.99Å; I94-D97 PolarHBondContact O-N 2.94Å; D97-R99 VanDerWaalsContact C-N 3.31Å; D97-R99 PolarHBondContact O-N 2.63Å; D97-S100 WeakPolarHBondContact CA-OG 3.23Å; D97-S100 PolarHBondContact O-N 2.73Å; D97-S100 PolarHBondContact O-OG 2.62Å; D97-T101 WeakPolarHBondContact O-CB 3.46Å; D97-T101 VanDerWaalsContact O-CG2 3.23Å; D97-T101 WeakPolarHBondContact O-CG2 3.34Å; D97-T101 PolarHBondContact O-N 2.76Å; D97-T101 PolarHBondContact O-OG1 2.95Å
98L86.8Confident77Confident103 Ų103105.5 Ų105.554%0.53952%0.524SS..Hα-helixtrans-66-32.1173.9-74.1170.5000112.7I94 G96 T101 K102I94-L98 HydrophobicContact CG2-CD1 4.05Å; I94-L98 WeakPolarHBondContact O-CB 3.42Å; I94-L98 VanDerWaalsContact O-CG 3.27Å; I94-L98 WeakPolarHBondContact O-CG 3.23Å; I94-L98 PolarHBondContact O-N 3.48Å; G96-L98 PolarHBondContact O-N 2.82Å; L98-T101 WeakPolarHBondContact CA-OG1 2.93Å; L98-T101 PolarHBondContact O-OG1 2.88Å; L98-T101 VanDerWaalsContact O-OG1 3.04Å; L98-K102 WeakPolarHBondContact O-CG 3.42Å; L98-K102 PolarHBondContact O-N 2.66Å
99R87.3Confident76.7Confident197 Ų197109.2 Ų109.274%0.74353%0.528SS*.Hα-helixtrans-75.7-40.7174.7-74.6-179.9-176.4-149.62.8111.6M95 G96 D97 K102 W103M95-R99 WeakPolarHBondContact O-CG 3.38Å; M95-R99 PolarHBondContact O-N 2.85Å; M95-R99 VanDerWaalsContact O-N 3.08Å; G96-R99 PolarHBondContact O-N 3.47Å; G96-R99 VanDerWaalsContact O-N 3.12Å; D97-R99 VanDerWaalsContact C-N 3.31Å; D97-R99 PolarHBondContact O-N 2.63Å; R99-K102 PolarHBondContact O-N 3.3Å; R99-W103 PolarHBondContact O-N 2.77Å
100S81.8Confident76.4Confident63 Ų63109.1 Ų109.144%0.44152%0.515SS..Hα-helixtrans-67.1-39.8179.168.20000111.8G96 D97 W103 S104G96-S100 PolarHBondContact O-N 3.46Å; G96-S100 PolarHBondContact O-OG 3.11Å; D97-S100 WeakPolarHBondContact CA-OG 3.23Å; D97-S100 PolarHBondContact O-N 2.73Å; D97-S100 PolarHBondContact O-OG 2.62Å; S100-W103 WeakPolarHBondContact O-CB 3.13Å; S100-W103 PolarHBondContact O-N 2.81Å; S100-W103 VanDerWaalsContact O-N 3.15Å; S100-S104 PolarHBondContact O-N 3.33Å
101T81.1Confident75.9Confident69 Ų69112.3 Ų112.342%0.42352%0.52SS..Hα-helixtrans-65.1-38.117449.90000112.8D97 L98 W103 S104 T105D97-T101 WeakPolarHBondContact O-CB 3.46Å; D97-T101 VanDerWaalsContact O-CG2 3.23Å; D97-T101 WeakPolarHBondContact O-CG2 3.34Å; D97-T101 PolarHBondContact O-N 2.76Å; D97-T101 PolarHBondContact O-OG1 2.95Å; L98-T101 WeakPolarHBondContact CA-OG1 2.93Å; L98-T101 PolarHBondContact O-OG1 2.88Å; L98-T101 VanDerWaalsContact O-OG1 3.04Å; T101-W103 VanDerWaalsContact C-N 3.31Å; T101-S104 WeakPolarHBondContact CA-OG 3.29Å; T101-S104 PolarHBondContact O-N 2.83Å; T101-S104 PolarHBondContact O-OG 2.85Å; T101-T105 WeakPolarHBondContact O-CB 3.41Å; T101-T105 WeakPolarHBondContact O-CG2 3.13Å; T101-T105 PolarHBondContact O-N 3.37Å; T101-T105 PolarHBondContact O-OG1 2.87Å
102K82.8Confident75.5Confident136 Ų136119.2 Ų119.259%0.59154%0.54SS*.Hα-helixtrans-65.6-34.1171-76.6-178.7178.6-1760112.7L98 R99 T105 R106L98-K102 WeakPolarHBondContact O-CG 3.42Å; L98-K102 PolarHBondContact O-N 2.66Å; R99-K102 PolarHBondContact O-N 3.3Å; K102-T105 VanDerWaalsContact CA-OG1 3.31Å; K102-T105 WeakPolarHBondContact CA-OG1 3.48Å; K102-T105 PolarHBondContact O-OG1 3.11Å; K102-R106 VanDerWaalsContact O-CG 3.32Å; K102-R106 WeakPolarHBondContact O-CG 3.46Å; K102-R106 PolarHBondContact O-N 3.33Å
103W72Confident74.7Confident193 Ų193118.4 Ų118.473%0.73154%0.538SS*.Hα-helixtrans-69.5-46.3173.5-168.8-51.6000110.9R99 S100 T101 T105 R106 R107R99-W103 PolarHBondContact O-N 2.77Å; S100-W103 WeakPolarHBondContact O-CB 3.13Å; S100-W103 PolarHBondContact O-N 2.81Å; S100-W103 VanDerWaalsContact O-N 3.15Å; T101-W103 VanDerWaalsContact C-N 3.31Å; W103-T105 PolarHBondContact O-N 2.82Å; W103-R106 PolarHBondContact O-N 3.38Å; W103-R107 PolarHBondContact O-N 3.33Å
104S73.1Confident73.6Confident44 Ų44114.9 Ų114.931%0.30853%0.533SS..Hα-helixtrans-63.9-43-177.968.40000111.5S100 T101 R106 R107 E108S100-S104 PolarHBondContact O-N 3.33Å; T101-S104 WeakPolarHBondContact CA-OG 3.29Å; T101-S104 PolarHBondContact O-N 2.83Å; T101-S104 PolarHBondContact O-OG 2.85Å; S104-R106 PolarHBondContact O-N 3.06Å; S104-R107 CarbonylContact O-C 3.5Å; S104-R107 WeakPolarHBondContact O-CB 3.2Å; S104-R107 PolarHBondContact O-N 3.23Å; S104-R107 VanDerWaalsContact O-N 3.08Å; S104-E108 WeakPolarHBondContact O-CB 3.44Å; S104-E108 VanDerWaalsContact O-CG 3.3Å; S104-E108 WeakPolarHBondContact O-CG 3.24Å; S104-E108 PolarHBondContact O-N 3.49Å
105T71.3Confident72.4Confident63 Ų63113.2 Ų113.239%0.38753%0.528SS..Hα-helixtrans-59.3-44.7174.444.70000112.3T101 K102 W103 R107 E108 E109T101-T105 WeakPolarHBondContact O-CB 3.41Å; T101-T105 WeakPolarHBondContact O-CG2 3.13Å; T101-T105 PolarHBondContact O-N 3.37Å; T101-T105 PolarHBondContact O-OG1 2.87Å; K102-T105 VanDerWaalsContact CA-OG1 3.31Å; K102-T105 WeakPolarHBondContact CA-OG1 3.48Å; K102-T105 PolarHBondContact O-OG1 3.11Å; W103-T105 PolarHBondContact O-N 2.82Å; T105-R107 VanDerWaalsContact C-N 3.3Å; T105-R107 PolarHBondContact O-N 2.97Å; T105-E108 PolarHBondContact O-N 2.82Å; T105-E109 WeakPolarHBondContact O-CG 3.49Å; T105-E109 PolarHBondContact O-N 2.82Å
106R67.9Low71Confident185 Ų185111.8 Ų111.870%0.69853%0.528SS*.Hα-helixtrans-61.1-36.8172.8-72.8174.8-176.3169.5-2.2113.1K102 W103 S104K102-R106 VanDerWaalsContact O-CG 3.32Å; K102-R106 WeakPolarHBondContact O-CG 3.46Å; K102-R106 PolarHBondContact O-N 3.33Å; W103-R106 PolarHBondContact O-N 3.38Å; S104-R106 PolarHBondContact O-N 3.06Å
107R62.6Low69.2Low154 Ų154116.1 Ų116.158%0.58154%0.538SS*.Hα-helixtrans-71.6-32.2177.8-168.1-179.5178.9174.1-0.9112.2W103 S104 T105 R110W103-R107 PolarHBondContact O-N 3.33Å; S104-R107 CarbonylContact O-C 3.5Å; S104-R107 WeakPolarHBondContact O-CB 3.2Å; S104-R107 PolarHBondContact O-N 3.23Å; S104-R107 VanDerWaalsContact O-N 3.08Å; T105-R107 VanDerWaalsContact C-N 3.3Å; T105-R107 PolarHBondContact O-N 2.97Å; R107-R110 WeakPolarHBondContact O-CB 3.46Å; R107-R110 WeakPolarHBondContact O-CG 3.29Å; R107-R110 PolarHBondContact O-NE 2.87Å
108E63.5Low67.8Low141 Ų141119.4 Ų119.466%0.65954%0.543SS*.Hα-helixtrans-76.6-30.2176.6-73.5166.6-159.400111.9S104 T105 R110S104-E108 WeakPolarHBondContact O-CB 3.44Å; S104-E108 VanDerWaalsContact O-CG 3.3Å; S104-E108 WeakPolarHBondContact O-CG 3.24Å; S104-E108 PolarHBondContact O-N 3.49Å; T105-E108 PolarHBondContact O-N 2.82Å; E108-R110 PolarHBondContact O-N 2.72Å
109E61.2Low65.9Low155 Ų155119.3 Ų119.372%0.72455%0.547SS*.THydrogen-bonded Turntrans-74.3-3.5174-73.8179.8177.100114.4T105 Y111T105-E109 WeakPolarHBondContact O-CG 3.49Å; T105-E109 PolarHBondContact O-N 2.82Å; E109-Y111 PolarHBondContact O-N 3.39Å; E109-Y111 VanDerWaalsContact O-N 3.07Å
110R63.4Low64.3Low84 Ų84113 Ų11332%0.31754%0.544SS..THydrogen-bonded Turntrans-62.7-13.6178.1-70.9-172.8-61.2155.86.6114.7R107 E108 Q159R107-R110 WeakPolarHBondContact O-CB 3.46Å; R107-R110 WeakPolarHBondContact O-CG 3.29Å; R107-R110 PolarHBondContact O-NE 2.87Å; E108-R110 PolarHBondContact O-N 2.72Å; R110-Q159 WeakPolarHBondContact O-CA 3.45Å
111Y63.9Low62.6Low110 Ų110117.8 Ų117.843%0.43156%0.563SS.*EExtended strand (participates in β ladder)trans-122.4112.4177.5-59.1-80.1000109.8E109 L157 Q159E109-Y111 PolarHBondContact O-N 3.39Å; E109-Y111 VanDerWaalsContact O-N 3.07Å; Y111-L157 HydrophobicContact CD1-CB 4.38Å; Y111-L157 HydrophobicContact CD1-CD2 4.36Å; Y111-L157 HydrophobicContact CG-CD2 4.43Å; Y111-Q159 HydrophobicContact CD1-CB 4.23Å; Y111-Q159 HydrophobicContact CE1-CB 3.79Å; Y111-Q159 HydrophobicContact CE1-CG 4.12Å; Y111-Q159 PolarHBondContact OH-OE1 3.45Å
112R65.4Low60.8Low190 Ų190122.7 Ų122.772%0.71759%0.586SS**EExtended strand (participates in β ladder)trans-98.8128.5169.9-166.4173.3179.1141.20.1109.4L114R112-L114 PolarHBondContact O-N 3.31Å
113I63.3Low58.7Low116 Ų116127 Ų12760%0.59560%0.599SS**EExtended strand (participates in β ladder)trans-68.4115.4173.5-61.4172000107.7V155I113-V155 HydrophobicContact CG2-CG1 3.81Å
114L60.4Low57.4Low109 Ų109124 Ų12457%0.57160%0.604SS**EExtended strand (participates in β ladder)trans-85.9-33.3-179.1-66.8-178.8000112.6R112 D156 V158R112-L114 PolarHBondContact O-N 3.31Å; L114-D156 PolarHBondContact N-O 3.23Å; L114-V158 HydrophobicContact CD1-CB 3.88Å; L114-V158 HydrophobicContact CD1-CG2 3.38Å; L114-V158 HydrophobicContact CG-CG2 4.46Å
115S57.3Low55.5Low43 Ų43125.5 Ų125.530%0.30162%0.62SS.*EExtended strand (participates in β ladder)trans-156.8116-178.3177.60000111
116S54.2Low53.8Low67 Ų67131.6 Ų131.647%0.46964%0.644SS.*EExtended strand (participates in β ladder)trans-92.1124163.955.40000108.1
117H48.2Very low52.4Low128 Ų128131.9 Ų131.959%0.59365%0.653SS**EExtended strand (participates in β ladder)trans95.180.6175.5-41-65.3000116.1Q153H117-Q153 PolarHBondContact CE1-NE2 3.21Å; H117-Q153 PolarHBondContact ND1-NE2 3.24Å
118R56Low50.9Low157 Ų157133.8 Ų133.859%0.59267%0.668SS**EExtended strand (participates in β ladder)trans-106101.8145.8-63.8-177.1-170.7-106.22.7108.2D156R118-D156 IonicContact CZ-OD2 3.92Å; R118-D156 IonicContact NE-OD2 3.3Å; R118-D156 PolarHBondContact NE-OD2 2.79Å; R118-D156 IonicContact NH2-OD2 3.66Å
119T47.1Very low49.3Very low101 Ų101133.4 Ų133.462%0.6268%0.676SS**  trans-94.3127.8164.441.10000108.3
120G53.2Low48.6Very low65 Ų65131.1 Ų131.167%0.6768%0.675SS**  trans116.267.8172.700000115.1
121L46.2Very low47.1Very low163 Ų163138.7 Ų138.785%0.85370%0.703SS**  trans-99.481.1152.6-73.5176.3000108.3
122L44.7Very low45.4Very low173 Ų173139.1 Ų139.191%0.90672%0.717SS**  trans-84.2124.3161.3-75.3171.1000108.6
123R37.8Very low43.7Very low225 Ų225138 Ų13885%0.84972%0.72SS**  trans-33.7143.4174.1-175.3-179.8-175.6167.91.3114.9A125R123-A125 PolarHBondContact O-N 3.05Å
124P44.3Very low42.1Very low130 Ų130136.4 Ų136.484%0.84472%0.724SS**  trans-76.4115.4168.631.6-28.8000108.6
125A34.5Very low40.7Very low77 Ų77135.7 Ų135.764%0.63673%0.729SS**  trans-136.8101163.900000107.6R123R123-A125 PolarHBondContact O-N 3.05Å
126E34.5Very low39.4Very low191 Ų191142.4 Ų142.489%0.89376%0.755SS**  trans48.5122135.3-64173.5157.300119.3
127Q37.8Very low38.1Very low191 Ų191147.4 Ų147.489%0.89378%0.777SS**  trans-13.9124.4153.5-63.9168.47.500115.3
128E32Very low37.2Very low194 Ų194145.1 Ų145.191%0.90779%0.787SS**  -172.1137.1121.3-101.8-177.1-170.800111.4
129T30.4Very low36Very low133 Ų133146.5 Ų146.582%0.81680%0.801SS**  trans-100.8-179.6173.355.10000110
130P45.9Very low35.4Very low107 Ų107149 Ų14970%0.69581%0.81SS**  -126.9156.1-79.536.5-19.6000112.7
131R31.1Very low34.4Very low243 Ų243151.3 Ų151.392%0.91782%0.816SS**  trans-156117.4157.5-67.8-161.2170.7-177.2-4.4109.4
132T28.7Very low34.5Very low119 Ų119154.7 Ų154.773%0.7382%0.818SS**  68.9112.375.8-57.30000109.3
133E30.2Very low34Very low166 Ų166152.7 Ų152.778%0.77681%0.813SS**  cis-161.6162.920.9-72-75.3158.200110.2
134A29.8Very low34.3Very low83 Ų83146.5 Ų146.569%0.68681%0.81SS**  trans21.3147.6147.300000121.6
135S31.2Very low34.4Very low94 Ų94149.9 Ų149.966%0.65781%0.811SS**  cis-173.7155.828.8-20.70000110
136E29.1Very low34.3Very low183 Ų183157.1 Ų157.186%0.85582%0.822SS**  trans75.3113.8138.1-65.1171.3-170.200123.8
137D28.3Very low34.6Very low173 Ų173154.3 Ų154.393%0.92582%0.822SS**  trans25.2135.9138.3-67.5-21000123.2
138G27.5Very low34.7Very low79 Ų79150.1 Ų150.181%0.81481%0.814SS**  trans172.5119.4159.600000113.7
139E31.6Very low35.5Very low187 Ų187148.9 Ų148.987%0.87481%0.812SS**  trans-68.2155.1-170.6-67.4168.5117.300117.1
140D34.8Very low36.3Very low153 Ų153145.4 Ų145.482%0.81880%0.803SS**  trans40.3114.4147.9-78.7-18.9000121.8
141S32Very low36.9Very low114 Ų114148.8 Ų148.880%0.79781%0.81SS**  trans-151.6109.9147.5-175.10000111.5T143S141-T143 PolarHBondContact O-N 3.03Å
142R47.7Very low38.2Very low234 Ų234143.7 Ų143.788%0.88380%0.799SS**  trans-72.7113.7173.8-66.2173.4178.9172.1-0.7110.1
143T34.9Very low39.3Very low131 Ų131143.6 Ų143.680%0.80479%0.791SS**  trans-150.6122147.144.70000110.7S141S141-T143 PolarHBondContact O-N 3.03Å
144A45Very low40.9Very low95 Ų95138 Ų13879%0.78577%0.768SS**  trans-56.6135179.700000112.8
145K45.9Very low42.4Very low201 Ų201136.8 Ų136.887%0.87475%0.751SS**  trans169.298.6134.4-93.9162.6-174.6-179.60111.2
146R32.8Very low44Very low228 Ų228135.3 Ų135.386%0.8674%0.736SS**  173112.2123.8-93.4167.295.8176.54.6104.6S148R146-S148 PolarHBondContact O-N 3.12Å
147C39.8Very low45.6Very low133 Ų133131.7 Ų131.790%0.89972%0.722SS**  trans-58.599.3156.8-66.20000104.7L149C147-L149 PolarHBondContact O-N 2.78Å
148S40.7Very low47Very low102 Ų102126.6 Ų126.671%0.71370%0.697SS**  trans-51.7125.6172.542.10000106.2R146 G150R146-S148 PolarHBondContact O-N 3.12Å; S148-G150 PolarHBondContact O-N 3.43Å
149L47.6Very low48.5Very low168 Ų168126.8 Ų126.888%0.8868%0.677SS**SBendtrans-41.5127.2-178.9-92.486.6000109.5C147C147-L149 PolarHBondContact O-N 2.78Å
150G48.4Very low49.8Very low61 Ų61125.1 Ų125.163%0.62967%0.669SS**  trans-50.9142.4-157.800000114.4S148 I152S148-G150 PolarHBondContact O-N 3.43Å; G150-I152 PolarHBondContact O-N 2.95Å
151E58Low50.6Low177 Ų177123.3 Ų123.383%0.82766%0.659SS**  trans-51.9112.6169.3-65.8171.715300108.7Q153E151-Q153 PolarHBondContact O-N 3.48Å
152I57.4Low51.6Low136 Ų136127.1 Ų127.170%0.69767%0.665SS**  trans-72.7113.2178.7-59170.9000107.2G150 V154G150-I152 PolarHBondContact O-N 2.95Å; I152-V154 HydrophobicContact CG2-CG2 4.06Å
153Q53.5Low51.7Low117 Ų117125 Ų12555%0.54767%0.665SS.*  trans-89.8110.4174.1-173.6177.118.500109.1H117 E151 V155H117-Q153 PolarHBondContact CE1-NE2 3.21Å; H117-Q153 PolarHBondContact ND1-NE2 3.24Å; E151-Q153 PolarHBondContact O-N 3.48Å; Q153-V155 HydrophobicContact CG-CG2 4.5Å
154V62.5Low52.4Low50 Ų50125.9 Ų125.930%0.30367%0.665SS.*EExtended strand (participates in β ladder)trans-95.8134.5174.3-173.80000109.3I152I152-V154 HydrophobicContact CG2-CG2 4.06Å
155V60.9Low52.5Low56 Ų56126.9 Ų126.934%0.33966%0.663SS.*EExtended strand (participates in β ladder)trans-126.1127.4175.8-177.10000108.2I113 Q153 L157I113-V155 HydrophobicContact CG2-CG1 3.81Å; Q153-V155 HydrophobicContact CG-CG2 4.5Å; V155-L157 HydrophobicContact CB-CD1 4.48Å; V155-L157 HydrophobicContact CG1-CD1 4.14Å
156D64.9Low52.3Low63 Ų63124 Ų12434%0.33766%0.657SS.*EExtended strand (participates in β ladder)trans-93.3124.3178.6-60.1-38.7000109.3L114 R118L114-D156 PolarHBondContact N-O 3.23Å; R118-D156 IonicContact CZ-OD2 3.92Å; R118-D156 IonicContact NE-OD2 3.3Å; R118-D156 PolarHBondContact NE-OD2 2.79Å; R118-D156 IonicContact NH2-OD2 3.66Å
157L64.1Low52.9Low107 Ų107122.8 Ų122.856%0.5666%0.658SS**EExtended strand (participates in β ladder)trans-113.6133.5177.7-6683.2000109.3Y111 V155Y111-L157 HydrophobicContact CD1-CB 4.38Å; Y111-L157 HydrophobicContact CD1-CD2 4.36Å; Y111-L157 HydrophobicContact CG-CD2 4.43Å; V155-L157 HydrophobicContact CB-CD1 4.48Å; V155-L157 HydrophobicContact CG1-CD1 4.14Å
158V58.1Low52.9Low67 Ų67122.4 Ų122.441%0.40665%0.654SS.*EExtended strand (participates in β ladder)trans-111.2131.4169.6161.90000109.1L114 E160L114-V158 HydrophobicContact CD1-CB 3.88Å; L114-V158 HydrophobicContact CD1-CG2 3.38Å; L114-V158 HydrophobicContact CG-CG2 4.46Å; V158-E160 HydrophobicContact CG1-CG 4.17Å
159Q58.2Low52.9Low82 Ų82124.2 Ų124.238%0.38366%0.655SS.*EExtended strand (participates in β ladder)trans-90.2111.3168.2-173.4177.3-23.500107.7R110 Y111 D161R110-Q159 WeakPolarHBondContact O-CA 3.45Å; Y111-Q159 HydrophobicContact CD1-CB 4.23Å; Y111-Q159 HydrophobicContact CE1-CB 3.79Å; Y111-Q159 HydrophobicContact CE1-CG 4.12Å; Y111-Q159 PolarHBondContact OH-OE1 3.45Å; Q159-D161 PolarHBondContact NE2-OD1 3.33Å; Q159-D161 PolarHBondContact NE2-OD2 3.08Å; Q159-D161 PolarHBondContact O-N 3.23Å
160E58.2Low52.8Low152 Ų152127.8 Ų127.871%0.7166%0.657SS**  trans-85.1104.4169-70-177.8173.800107.5V158V158-E160 HydrophobicContact CG1-CG 4.17Å
161D51.9Low52.4Low115 Ų115133.3 Ų133.362%0.61566%0.663SS**PPolyproline II helixtrans-88.6126.4163-66.2-37.3000106.9Q159 E163Q159-D161 PolarHBondContact NE2-OD1 3.33Å; Q159-D161 PolarHBondContact NE2-OD2 3.08Å; Q159-D161 PolarHBondContact O-N 3.23Å; D161-E163 PolarHBondContact O-N 3.12Å
162E53.7Low51.7Low195 Ų195131.5 Ų131.591%0.91167%0.665SS**PPolyproline II helixtrans-55.4130.5175.2-72.2-170143.200109.7D164E162-D164 PolarHBondContact O-N 3.4Å
163E49.6Very low51.5Low190 Ų190131.1 Ų131.189%0.88866%0.663SS**PPolyproline II helixtrans-55.6120172.8-86.7178.7148.900110.5D161D161-E163 PolarHBondContact O-N 3.12Å
164D48.7Very low51Low148 Ų148131 Ų13179%0.79167%0.673SS**PPolyproline II helixtrans-61.1129.1170.8-109.7-32.9000110.4E162 D166E162-D164 PolarHBondContact O-N 3.4Å; D164-D166 VanDerWaalsContact C-N 3.25Å; D164-D166 PolarHBondContact O-N 3.17Å
165P47.6Very low50.8Low116 Ų116134 Ų13475%0.75370%0.696SS**  trans-78.610.3-175.430.4-34.6000115.7
166D41.1Very low50.7Low140 Ų140134.7 Ų134.775%0.74970%0.698SS**  trans-106.285.6-165.6-71-33.1000114.6D164D164-D166 VanDerWaalsContact C-N 3.25Å; D164-D166 PolarHBondContact O-N 3.17Å
167K45.5Very low50.6Low203 Ų203137.2 Ų137.288%0.88372%0.718SS**  trans-138.4106.4164.6-153.5170-168.3172.60112.1L169K167-L169 PolarHBondContact O-N 3.46Å
168P40.1Very low50.5Low125 Ų125136 Ų13681%0.81271%0.709SS**  trans-90.5112.9-175.632.1-30.8000112.8
169L41.1Very low50.9Low141 Ų141135.5 Ų135.574%0.73871%0.706SS**  trans-79.3110.6167.1-175.968.3000109.8K167 K171K167-L169 PolarHBondContact O-N 3.46Å; L169-K171 HydrophobicContact CD2-CD 4.36Å; L169-K171 HydrophobicContact CG-CG 4.48Å; L169-K171 PolarHBondContact O-N 3.02Å
170R45.2Very low51.6Low242 Ų242135.6 Ų135.691%0.91371%0.709SS**  trans-70.3119.6171.6-69-167174-149.8-0.3110.4
171K40.2Very low52.7Low177 Ų177133.5 Ų133.577%0.7770%0.701SS**  trans-136.1136.3161.2-70.8-176.7-179.41720111.1L169L169-K171 HydrophobicContact CD2-CD 4.36Å; L169-K171 HydrophobicContact CG-CG 4.48Å; L169-K171 PolarHBondContact O-N 3.02Å
172T43.8Very low53.9Low139 Ų139131 Ų13185%0.85369%0.692SS**  trans-68.1150.1-172-21.60000112.4
173L52Low55.3Low128 Ų128129 Ų12967%0.6769%0.688SS**  trans-44.7147.7-176.4-89.880.5000115.2
174P42.9Very low56.7Low115 Ų115127.2 Ų127.275%0.74768%0.684SS**  -106.5146.810931.6-29.8000109.6D176P174-D176 PolarHBondContact O-N 3.36Å
175S58.8Low58.3Low113 Ų113124.4 Ų124.479%0.7967%0.673SS**  trans-68.899.2177.5-166.70000109.3
176D59.5Low59.9Low71 Ų71125.8 Ų125.838%0.3867%0.667SS.*  trans-78126.8176.7-175.1-6.4000109.9P174 E178 V179P174-D176 PolarHBondContact O-N 3.36Å; D176-E178 PolarHBondContact O-N 3.41Å; D176-E178 PolarHBondContact OD1-N 3.46Å; D176-V179 HydrophobicContact CB-CG2 4.11Å; D176-V179 PolarHBondContact O-N 2.83Å; D176-V179 VanDerWaalsContact O-N 3.13Å
177P62.1Low61.6Low116 Ų116123.1 Ų123.175%0.75365%0.652SS**THydrogen-bonded Turntrans-61.1-7173.926.6-36000114.5
178E62.6Low62.8Low82 Ų82121.1 Ų121.138%0.38365%0.65SS.*THydrogen-bonded Turntrans-89.7-8174.8-63.8-171.5161.600114.6D176 R189 R191D176-E178 PolarHBondContact O-N 3.41Å; D176-E178 PolarHBondContact OD1-N 3.46Å; E178-R189 WeakPolarHBondContact O-CB 3.39Å; E178-R189 PolarHBondContact O-N 3.04Å; E178-R189 VanDerWaalsContact O-N 3.08Å; E178-R191 WeakPolarHBondContact OE1-CD 3.39Å
179V66.1Low64.3Low56 Ų56122.5 Ų122.534%0.33964%0.639SS.*EExtended strand (participates in β ladder)trans-101.5110.4-180-178.40000110.2D176 K186D176-V179 HydrophobicContact CB-CG2 4.11Å; D176-V179 PolarHBondContact O-N 2.83Å; D176-V179 VanDerWaalsContact O-N 3.13Å; V179-K186 HydrophobicContact CG1-CB 4.09Å; V179-K186 HydrophobicContact CG1-CD 4.44Å; V179-K186 HydrophobicContact CG1-CG 4.02Å
180I73.3Confident65.8Low84 Ų84123.8 Ų123.843%0.43164%0.642SS.*EExtended strand (participates in β ladder)trans-95.3121.3172.7-60.1173.9000107.5L187 R189I180-L187 PolarHBondContact N-O 2.87Å; I180-L187 VanDerWaalsContact N-O 3.12Å; I180-L187 WeakPolarHBondContact O-CA 3.49Å; I180-L187 WeakPolarHBondContact O-CB 3.37Å; I180-L187 PolarHBondContact O-N 2.76Å; I180-R189 HydrophobicContact CD1-CB 4.26Å; I180-R189 HydrophobicContact CD1-CG 4.17Å
181L81.9Confident66.8Low107 Ų107121.4 Ų121.456%0.5663%0.633SS**EExtended strand (participates in β ladder)trans-89.4122.4173.9-67.8168.6000109.4T185 K186L181-T185 WeakPolarHBondContact CA-O 3.42Å; L181-K186 HydrophobicContact CD2-CB 4.33Å; L181-K186 HydrophobicContact CD2-CG 3.54Å
182C75.6Confident67.6Low63 Ų63119.6 Ų119.643%0.42663%0.631SS.*EExtended strand (participates in β ladder)trans-115.2116.5166.6-174.20000108.1N184 T185 L187C182-N184 PolarHBondContact O-N 2.96Å; C182-T185 PolarHBondContact N-O 3.02Å; C182-T185 WeakPolarHBondContact O-CA 3.3Å; C182-T185 VanDerWaalsContact O-CB 3.32Å; C182-T185 WeakPolarHBondContact O-CB 3.47Å; C182-T185 PolarHBondContact O-N 3.11Å; C182-L187 HydrophobicContact CB-CD1 3.74Å; C182-L187 HydrophobicContact CB-CG 4.33Å
183N83.8Confident67.9Low153 Ų153117.2 Ų117.282%0.81863%0.625SS**THydrogen-bonded Turntrans50.143.1-177.4-59-24.6000113.4T185N183-T185 PolarHBondContact O-N 3.17Å; N183-T185 VanDerWaalsContact O-N 3.11Å
184N78.4Confident68Low152 Ų152116 Ų11681%0.81362%0.623SS**THydrogen-bonded Turntrans64.83.3-176-56.8-6.7000115.7C182C182-N184 PolarHBondContact O-N 2.96Å
185T82.2Confident68.3Low90 Ų90116.3 Ų116.355%0.55263%0.628SS**EExtended strand (participates in β ladder)trans-85.1127.7167.9-55.20000109.3L181 C182 N183 L187L181-T185 WeakPolarHBondContact CA-O 3.42Å; C182-T185 PolarHBondContact N-O 3.02Å; C182-T185 WeakPolarHBondContact O-CA 3.3Å; C182-T185 VanDerWaalsContact O-CB 3.32Å; C182-T185 WeakPolarHBondContact O-CB 3.47Å; C182-T185 PolarHBondContact O-N 3.11Å; N183-T185 PolarHBondContact O-N 3.17Å; N183-T185 VanDerWaalsContact O-N 3.11Å; T185-L187 PolarHBondContact O-N 2.8Å
186K80.8Confident67.8Low144 Ų144112.6 Ų112.663%0.62661%0.607SS**EExtended strand (participates in β ladder)trans-75.6118.7177.9-66.5178.4-176.9-176.60109.9V179 L181V179-K186 HydrophobicContact CG1-CB 4.09Å; V179-K186 HydrophobicContact CG1-CD 4.44Å; V179-K186 HydrophobicContact CG1-CG 4.02Å; L181-K186 HydrophobicContact CD2-CB 4.33Å; L181-K186 HydrophobicContact CD2-CG 3.54Å
187L78Confident67Low85 Ų85117.2 Ų117.245%0.44563%0.627SS.*EExtended strand (participates in β ladder)trans-100.6133.3168.7-55.2179.1000108.6I180 C182 T185I180-L187 PolarHBondContact N-O 2.87Å; I180-L187 VanDerWaalsContact N-O 3.12Å; I180-L187 WeakPolarHBondContact O-CA 3.49Å; I180-L187 WeakPolarHBondContact O-CB 3.37Å; I180-L187 PolarHBondContact O-N 2.76Å; C182-L187 HydrophobicContact CB-CD1 3.74Å; C182-L187 HydrophobicContact CB-CG 4.33Å; T185-L187 PolarHBondContact O-N 2.8Å
188L71.1Confident66.1Low160 Ų160119.8 Ų119.884%0.83863%0.626SS**EExtended strand (participates in β ladder)trans-83.5121.4174-66.3168.7000108.5E190L188-E190 PolarHBondContact O-N 3.15Å
189R70.2Confident65.4Low154 Ų154121.5 Ų121.558%0.58164%0.644SS**  trans-84.891.2173.5-168-176-178.6178.9-3.1108.8E178 I180 R191E178-R189 WeakPolarHBondContact O-CB 3.39Å; E178-R189 PolarHBondContact O-N 3.04Å; E178-R189 VanDerWaalsContact O-N 3.08Å; I180-R189 HydrophobicContact CD1-CB 4.26Å; I180-R189 HydrophobicContact CD1-CG 4.17Å; R189-R191 PolarHBondContact O-N 3.21Å; R189-R191 VanDerWaalsContact O-N 3.09Å
190E72.6Confident64.4Low169 Ų169122.8 Ų122.879%0.7967%0.669SS**  trans-61.2113.5170.6-172.7177.9-17600109.3L188 L192L188-E190 PolarHBondContact O-N 3.15Å; E190-L192 PolarHBondContact O-N 2.99Å; E190-L192 VanDerWaalsContact O-N 3.13Å
191R65.9Low63.2Low191 Ų191121.7 Ų121.772%0.72167%0.673SS**  trans-79.194.7173.7-67.4-176.465.6163.2-0.4108.1E178 R189 A193E178-R191 WeakPolarHBondContact OE1-CD 3.39Å; R189-R191 PolarHBondContact O-N 3.21Å; R189-R191 VanDerWaalsContact O-N 3.09Å; R191-A193 VanDerWaalsContact C-N 3.31Å; R191-A193 PolarHBondContact O-N 3.38Å
192L58Low61.5Low139 Ų139123.4 Ų123.473%0.72868%0.677SS**  trans-64.395.3167.4-139.7113.3000107.9E190 V194E190-L192 PolarHBondContact O-N 2.99Å; E190-L192 VanDerWaalsContact O-N 3.13Å; L192-V194 VanDerWaalsContact C-N 3.3Å; L192-V194 HydrophobicContact CD2-CG2 3.79Å; L192-V194 PolarHBondContact O-N 3.34Å
193A50.7Low60Low89 Ų89128.8 Ų128.874%0.73670%0.696SS**  trans-72.989.2174.100000108.1R191 S195R191-A193 VanDerWaalsContact C-N 3.31Å; R191-A193 PolarHBondContact O-N 3.38Å; A193-S195 PolarHBondContact O-N 2.87Å
194V54.5Low58.5Low103 Ų103132.1 Ų132.162%0.62470%0.697SS**  trans-75.465.3167.4-167.70000107.9L192 G196L192-V194 VanDerWaalsContact C-N 3.3Å; L192-V194 HydrophobicContact CD2-CG2 3.79Å; L192-V194 PolarHBondContact O-N 3.34Å; V194-G196 PolarHBondContact O-N 3.4Å
195S49Very low57.5Low121 Ų121130 Ų13085%0.84668%0.683SS**THydrogen-bonded Turntrans-8080.6165.366.50000107.8A193A193-S195 PolarHBondContact O-N 2.87Å
196G47.5Very low56.8Low35 Ų35131 Ų13136%0.36168%0.681SS.*THydrogen-bonded Turntrans-167.613.7-177.800000114.7V194 K198V194-G196 PolarHBondContact O-N 3.4Å; G196-K198 VanDerWaalsContact C-N 3.33Å; G196-K198 PolarHBondContact O-N 3.43Å
197E42.1Very low56.3Low169 Ų169129 Ų12979%0.7968%0.677SS**  trans-73.189.5176.6-157.8174.3-166.800110.4P199E197-P199 HydrophobicContact CG-CB 4.24Å
198K44.4Very low56.3Low169 Ų169129.8 Ų129.874%0.73568%0.681SS**  trans-90.3108.5134.5-82.6-179.2-179.3165.80106.4G196 G200G196-K198 VanDerWaalsContact C-N 3.33Å; G196-K198 PolarHBondContact O-N 3.43Å; K198-G200 PolarHBondContact O-N 3.12Å
199P47.9Very low57.1Low118 Ų118126.4 Ų126.477%0.76666%0.664SS**THydrogen-bonded Turntrans-72.3103.817830.2-29000107.1E197E197-P199 HydrophobicContact CG-CB 4.24Å
200G45.6Very low58.1Low83 Ų83120.2 Ų120.286%0.85664%0.641SS**THydrogen-bonded Turntrans139.33.317200000118K198K198-G200 PolarHBondContact O-N 3.12Å
201A47Very low59Low62 Ų62112.6 Ų112.651%0.51261%0.606SS.*  trans-131.55.7-177.200000116.3
202E45.9Very low60.3Low142 Ų142104 Ų10466%0.66457%0.574SS**THydrogen-bonded Turntrans-105.744.6-175.8-60.1-168.4157.900113.2
203H45.2Very low61.9Low177 Ų17797.5 Ų97.582%0.81954%0.54SS*.THydrogen-bonded Turntrans-142.228.7156.8-118.585.2000110.5E205H203-E205 VanDerWaalsContact C-N 3.34Å; H203-E205 PolarHBondContact O-N 3.47Å
204R52.6Low63.8Low222 Ų22293.2 Ų93.284%0.83850%0.504SS*.  trans-88.689.8156.3-75-176.6176.6176.5-1.3104.9H206R204-H206 PolarHBondContact O-N 2.94Å
205E57.2Low65.4Low109 Ų10988.5 Ų88.551%0.50948%0.476SS..  trans-46118.3160.7-45.1-177.2163.800105.9H203 D207 Y210H203-E205 VanDerWaalsContact C-N 3.34Å; H203-E205 PolarHBondContact O-N 3.47Å; E205-D207 PolarHBondContact O-N 2.93Å; E205-D207 VanDerWaalsContact O-N 3.12Å; E205-Y210 HydrophobicContact CB-CE2 3.77Å; E205-Y210 VanDerWaalsContact CD-OH 3.28Å; E205-Y210 WeakPolarHBondContact OE2-CE2 3.33Å; E205-Y210 PolarHBondContact OE2-OH 2.93Å
206H65.9Low67.2Low111 Ų11184 Ų8451%0.51444%0.44SS..  trans-63.7122.4-172-156.6-112.1000106.2R204 D208 D209R204-H206 PolarHBondContact O-N 2.94Å; H206-D208 IonicContact CE1-OD2 2.72Å; H206-D208 PolarHBondContact CE1-OD2 2.94Å; H206-D208 VanDerWaalsContact ND1-CB 3.3Å; H206-D208 WeakPolarHBondContact ND1-CB 3.38Å; H206-D208 IonicContact ND1-OD2 3.77Å; H206-D208 PolarHBondContact ND1-OD2 3.07Å; H206-D208 VanDerWaalsContact ND1-OD2 3.16Å; H206-D208 IonicContact NE2-OD2 2.82Å; H206-D208 PolarHBondContact O-N 3.4Å; H206-D209 WeakPolarHBondContact O-CB 3.4Å; H206-D209 PolarHBondContact O-N 2.92Å
207D70.8Confident68.9Low102 Ų10282.6 Ų82.655%0.54542%0.424SS..G310 helixtrans-59.2-19.8-178.7-75.9-44.7000111.4K11 E205 D209 Y210K11-D207 IonicContact NZ-OD1 3.11Å; E205-D207 PolarHBondContact O-N 2.93Å; E205-D207 VanDerWaalsContact O-N 3.12Å; D207-D209 VanDerWaalsContact C-N 3.26Å; D207-D209 PolarHBondContact O-N 3.23Å; D207-Y210 PolarHBondContact O-N 2.87Å
208D78.9Confident70.2Confident100 Ų10078.6 Ų78.654%0.53541%0.405SS..G310 helixtrans-72.2-12.4173.3-53.2-31.8000114R14 H206 Y210R14-D208 WeakPolarHBondContact CD-O 3.38Å; R14-D208 PolarHBondContact NE-O 3.35Å; R14-D208 PolarHBondContact NH2-O 3.45Å; H206-D208 IonicContact CE1-OD2 2.72Å; H206-D208 PolarHBondContact CE1-OD2 2.94Å; H206-D208 VanDerWaalsContact ND1-CB 3.3Å; H206-D208 WeakPolarHBondContact ND1-CB 3.38Å; H206-D208 IonicContact ND1-OD2 3.77Å; H206-D208 PolarHBondContact ND1-OD2 3.07Å; H206-D208 VanDerWaalsContact ND1-OD2 3.16Å; H206-D208 IonicContact NE2-OD2 2.82Å; H206-D208 PolarHBondContact O-N 3.4Å; D208-Y210 PolarHBondContact O-N 2.94Å
209D87.5Confident71.2Confident90 Ų9075 Ų7548%0.48140%0.398SS..G310 helixtrans-78.7-10.5173.8-66.8-26000112.2R14 H206 D207R14-D209 WeakPolarHBondContact CG-O 3.3Å; R14-D209 PolarHBondContact N-O 3.11Å; H206-D209 WeakPolarHBondContact O-CB 3.4Å; H206-D209 PolarHBondContact O-N 2.92Å; D207-D209 VanDerWaalsContact C-N 3.26Å; D207-D209 PolarHBondContact O-N 3.23Å
210Y90.8Very high71.9Confident24 Ų2472 Ų729%0.09438%0.377CS..EExtended strand (participates in β ladder)trans-109.6155.8-175.7-63.6-83.2000112.2K11 R12 K13 R14 E205 D207 D208K11-Y210 HydrophobicContact CD-CD1 4.15Å; K11-Y210 HydrophobicContact CD-CG 4.17Å; K11-Y210 HydrophobicContact CG-CD1 3.78Å; K11-Y210 HydrophobicContact CG-CG 4.02Å; R12-Y210 CarbonylContact O-C 3.53Å; R12-Y210 VanDerWaalsContact O-CA 3.26Å; R12-Y210 WeakPolarHBondContact O-CA 3.32Å; R12-Y210 WeakPolarHBondContact O-CD1 3.31Å; K13-Y210 HydrophobicContact CD-CE1 4.41Å; K13-Y210 WeakPolarHBondContact CE-OH 3.37Å; K13-Y210 HydrophobicContact CG-CD1 3.95Å; K13-Y210 HydrophobicContact CG-CE1 3.46Å; K13-Y210 VanDerWaalsContact CG-CE1 3.46Å; R14-Y210 PolarHBondContact NH2-O 2.87Å; E205-Y210 HydrophobicContact CB-CE2 3.77Å; E205-Y210 VanDerWaalsContact CD-OH 3.28Å; E205-Y210 WeakPolarHBondContact OE2-CE2 3.33Å; E205-Y210 PolarHBondContact OE2-OH 2.93Å; D207-Y210 PolarHBondContact O-N 2.87Å; D208-Y210 PolarHBondContact O-N 2.94Å
211V92.9Very high72.7Confident9 Ų969.8 Ų69.86%0.05535%0.347CS..EExtended strand (participates in β ladder)trans-132.9158166.8-64.20000108.3R12 R14 T59 V60R12-V211 HydrophobicContact CG-CG2 3.53Å; R12-V211 PolarHBondContact N-O 2.75Å; R12-V211 PolarHBondContact O-N 3.38Å; R12-V211 VanDerWaalsContact O-O 3.13Å; R14-V211 HydrophobicContact CG-CG1 3.75Å; T59-V211 HydrophobicContact CG2-CB 3.74Å; T59-V211 HydrophobicContact CG2-CG1 4.45Å; T59-V211 HydrophobicContact CG2-CG2 3.82Å; V60-V211 CarbonylContact O-C 3.25Å; V60-V211 WeakPolarHBondContact O-CA 3.39Å
212Y91.9Very high73.2Confident10 Ų1070.9 Ų70.94%0.03935%0.349CS..EExtended strand (participates in β ladder)trans-119.2118.6-176.9-53-102.9000109.6R9 V10 K11 T59 V60 Q63R9-Y212 HydrophobicContact CG-CD1 4.09Å; R9-Y212 HydrophobicContact CG-CG 4.43Å; V10-Y212 CarbonylContact O-C 3.57Å; V10-Y212 WeakPolarHBondContact O-CA 3.27Å; K11-Y212 HydrophobicContact CB-CD1 3.93Å; K11-Y212 HydrophobicContact CB-CE1 3.89Å; K11-Y212 HydrophobicContact CD-CE1 4.01Å; K11-Y212 HydrophobicContact CG-CD1 4.26Å; K11-Y212 HydrophobicContact CG-CE1 3.86Å; T59-Y212 CarbonylContact C-O 3.55Å; T59-Y212 WeakPolarHBondContact CA-O 3.44Å; V60-Y212 HydrophobicContact CG2-CD2 4.4Å; V60-Y212 HydrophobicContact CG2-CG 4.39Å; V60-Y212 WeakPolarHBondContact CG2-O 3.23Å; V60-Y212 PolarHBondContact N-O 3.2Å; V60-Y212 PolarHBondContact O-N 3.12Å; Q63-Y212 HydrophobicContact CB-CE1 3.9Å; Q63-Y212 HydrophobicContact CB-CE2 4.04Å; Q63-Y212 HydrophobicContact CG-CE1 4.06Å; Q63-Y212 PolarHBondContact OE1-OH 2.91Å
213D91.8Very high74Confident2 Ų265.3 Ų65.31%0.01133%0.33CS..EExtended strand (participates in β ladder)trans-89.4135.6175.4-58.9-48.1000110R9 V10 R12 P18 L56 T59 Y215R9-D213 CarbonylContact C-O 3.56Å; R9-D213 VanDerWaalsContact CA-O 3.31Å; R9-D213 WeakPolarHBondContact CA-O 3.37Å; V10-D213 HydrophobicContact CB-CB 4.45Å; V10-D213 PolarHBondContact N-O 2.87Å; V10-D213 PolarHBondContact O-N 3.45Å; R12-D213 WeakPolarHBondContact CD-OD2 3.42Å; R12-D213 WeakPolarHBondContact CG-OD2 3.21Å; R12-D213 IonicContact CZ-OD1 3.74Å; R12-D213 IonicContact CZ-OD2 3.71Å; R12-D213 VanDerWaalsContact NE-CG 3.31Å; R12-D213 IonicContact NE-OD1 3.43Å; R12-D213 PolarHBondContact NE-OD1 3Å; R12-D213 VanDerWaalsContact NE-OD1 3.11Å; R12-D213 IonicContact NE-OD2 2.75Å; R12-D213 PolarHBondContact NE-OD2 3.41Å; R12-D213 IonicContact NH2-OD1 3.4Å; R12-D213 PolarHBondContact NH2-OD1 3.43Å; P18-D213 WeakPolarHBondContact CB-OD2 3.48Å; L56-D213 HydrophobicContact CD1-CB 3.71Å; T59-D213 WeakPolarHBondContact CB-OD1 3.29Å; T59-D213 VanDerWaalsContact CG2-OD1 3.23Å; T59-D213 WeakPolarHBondContact CG2-OD1 3.33Å; T59-D213 PolarHBondContact OG1-OD1 2.81Å; D213-Y215 HydrophobicContact CB-CD2 4.3Å; D213-Y215 HydrophobicContact CB-CE2 3.58Å
214L90.5Very high75Confident0 Ų067.4 Ų67.40%033%0.331CS..EExtended strand (participates in β ladder)trans-105.4119.6-179.7-59.6177000108.8L8 R9 V57 A58 V60 V67L8-L214 CarbonylContact O-C 3.55Å; L8-L214 WeakPolarHBondContact O-CA 3.24Å; R9-L214 HydrophobicContact CB-CD2 4.05Å; R9-L214 HydrophobicContact CG-CD2 3.95Å; V57-L214 PolarHBondContact N-O 3.05Å; A58-L214 HydrophobicContact CB-CD1 4.33Å; A58-L214 PolarHBondContact N-O 3.08Å; A58-L214 PolarHBondContact O-N 3.12Å; V60-L214 HydrophobicContact CG1-CD1 4.04Å; V67-L214 HydrophobicContact CB-CD1 4.47Å; V67-L214 HydrophobicContact CG1-CD1 4.08Å; V67-L214 HydrophobicContact CG1-CD2 4.12Å; V67-L214 HydrophobicContact CG2-CD1 4.4Å; V67-L214 HydrophobicContact CG2-CD2 4.05Å
215Y88.3Confident76Confident4 Ų459.1 Ų59.12%0.01630%0.302CS..EExtended strand (participates in β ladder)trans-112.9137.8176.9-60.5-103.6000111.7I7 L8 V10 A19 L22 K55 L56 D213I7-Y215 CarbonylContact C-O 3.48Å; I7-Y215 VanDerWaalsContact CA-O 3.29Å; I7-Y215 WeakPolarHBondContact CA-O 3.36Å; I7-Y215 WeakPolarHBondContact CG2-O 3.16Å; L8-Y215 PolarHBondContact N-O 3.07Å; L8-Y215 PolarHBondContact O-N 3.12Å; V10-Y215 HydrophobicContact CB-CE2 4.05Å; V10-Y215 HydrophobicContact CG2-CD2 3.87Å; V10-Y215 HydrophobicContact CG2-CE2 3.71Å; A19-Y215 PolarHBondContact N-OH 3.31Å; A19-Y215 WeakPolarHBondContact O-CE1 3.36Å; A19-Y215 VanDerWaalsContact O-CZ 3.3Å; A19-Y215 PolarHBondContact O-OH 2.92Å; L22-Y215 HydrophobicContact CD1-CD1 3.92Å; L22-Y215 HydrophobicContact CD1-CD2 3.66Å; L22-Y215 HydrophobicContact CD1-CE1 3.89Å; L22-Y215 HydrophobicContact CD1-CE2 3.6Å; L22-Y215 HydrophobicContact CD1-CG 3.84Å; L22-Y215 HydrophobicContact CG-CD1 3.89Å; L22-Y215 HydrophobicContact CG-CD2 4.49Å; L22-Y215 HydrophobicContact CG-CE1 3.68Å; L22-Y215 HydrophobicContact CG-CE2 4.27Å; L22-Y215 HydrophobicContact CG-CG 4.32Å; K55-Y215 CarbonylContact O-C 3.58Å; K55-Y215 WeakPolarHBondContact O-CA 3.46Å; L56-Y215 HydrophobicContact CB-CD1 4Å; L56-Y215 HydrophobicContact CB-CE1 3.69Å; L56-Y215 HydrophobicContact CD1-CD1 4.49Å; L56-Y215 HydrophobicContact CD1-CE1 4.06Å; L56-Y215 HydrophobicContact CD1-CE2 4.1Å; L56-Y215 HydrophobicContact CG-CE1 4.45Å; D213-Y215 HydrophobicContact CB-CD2 4.3Å; D213-Y215 HydrophobicContact CB-CE2 3.58Å
216Y86.4Confident76.5Confident27 Ų2757.9 Ų57.911%0.10630%0.296CS..EExtended strand (participates in β ladder)trans-118.3141.4-175.8172.5-90.6000110.8M1 T5 F54 K55 V57 V71 L75M1-Y216 HydrophobicContact SD-CE2 4.36Å; T5-Y216 HydrophobicContact CG2-CD2 3.38Å; T5-Y216 HydrophobicContact CG2-CE2 3.06Å; T5-Y216 HydrophobicContact CG2-CG 4.5Å; F54-Y216 CarbonylContact C-O 3.53Å; F54-Y216 WeakPolarHBondContact CA-O 3.39Å; K55-Y216 PolarHBondContact N-O 2.85Å; K55-Y216 PolarHBondContact O-N 3.22Å; V57-Y216 HydrophobicContact CG2-CG 4.34Å; V71-Y216 HydrophobicContact CG1-CD2 3.79Å; V71-Y216 HydrophobicContact CG1-CE2 4.39Å; V71-Y216 HydrophobicContact CG1-CG 4.49Å; L75-Y216 HydrophobicContact CD1-CD1 4.27Å; L75-Y216 HydrophobicContact CD1-CD2 4.06Å; L75-Y216 HydrophobicContact CD1-CE1 3.94Å; L75-Y216 HydrophobicContact CD1-CE2 3.67Å; L75-Y216 HydrophobicContact CD1-CG 4.36Å; L75-Y216 HydrophobicContact CD2-CD1 4.32Å; L75-Y216 HydrophobicContact CD2-CE1 4.43Å
217Q83Confident77Confident4 Ų457.2 Ų57.22%0.01930%0.297CS..EExtended strand (participates in β ladder)trans-91.8122.3174.1-163.8-178.9-16.600110.7S52 F54 T219 T221S52-Q217 PolarHBondContact OG-NE2 3.46Å; F54-Q217 HydrophobicContact CD1-CB 3.87Å; F54-Q217 HydrophobicContact CE1-CB 3.66Å; F54-Q217 HydrophobicContact CE1-CG 4.34Å; F54-Q217 HydrophobicContact CZ-CB 4.17Å; F54-Q217 HydrophobicContact CZ-CG 4.36Å; Q217-T219 VanDerWaalsContact CG-O 3.24Å; Q217-T219 WeakPolarHBondContact CG-O 3.45Å; Q217-T219 PolarHBondContact NE2-O 3.31Å; Q217-T221 PolarHBondContact NE2-OG1 2.98Å
218E70.4Confident77.6Confident85 Ų8557.3 Ų57.340%0.39730%0.296SS..SBendtrans-71.7-38.1-179.3-171.9163.9-162.300112.9K55 R79K55-E218 IonicContact NZ-OE2 3.51Å; K55-E218 PolarHBondContact NZ-OE2 3.3Å; R79-E218 IonicContact CZ-OE1 3.91Å; R79-E218 IonicContact NH1-OE1 3.46Å; R79-E218 PolarHBondContact NH1-OE1 2.72Å; R79-E218 IonicContact NH2-OE1 3.72Å; R79-E218 PolarHBondContact NH2-OE1 2.97Å
219T65.4Low77.9Confident95 Ų9557 Ų5758%0.58329%0.294SS*.SBendtrans-91113.4174.249.60000109.5Q217 T221Q217-T219 VanDerWaalsContact CG-O 3.24Å; Q217-T219 WeakPolarHBondContact CG-O 3.45Å; Q217-T219 PolarHBondContact NE2-O 3.31Å; T219-T221 PolarHBondContact O-N 3.37Å
220V61.9Low77.7Confident53 Ų5354.2 Ų54.232%0.32128%0.282SS..  trans-75.490.1176.7-179.90000108.4N4N4-V220 HydrophobicContact CB-CG1 3.57Å; N4-V220 WeakPolarHBondContact O-CG1 3.45Å
221T61.8Low77.5Confident37 Ų3757 Ų5723%0.22730%0.301CS..  trans-80.3125.716933.30000109.6R28 E50 Q217 T219R28-T221 PolarHBondContact NH1-OG1 2.97Å; R28-T221 PolarHBondContact NH2-O 3.49Å; E50-T221 WeakPolarHBondContact OE1-CB 3.3Å; E50-T221 WeakPolarHBondContact OE1-CG2 3.44Å; E50-T221 PolarHBondContact OE1-OG1 3.08Å; Q217-T221 PolarHBondContact NE2-OG1 2.98Å; T219-T221 PolarHBondContact O-N 3.37Å
222P58.5Low77.3Confident86 Ų8664.5 Ų64.556%0.55833%0.328SS*.  trans-74.6131.9-173.329-34.5000112.4R28R28-P222 PolarHBondContact NH2-O 3.41Å
223G63.3Low77Confident25 Ų2567.3 Ų67.326%0.25835%0.354SS..SBendtrans128.2167.917700000113.5
224W65.2Low76.3Confident221 Ų22170.4 Ų70.484%0.83737%0.366SS*.  trans-87.2140.1176.1-66.9-1.5000110.2Q226W224-Q226 PolarHBondContact O-N 3.43Å
225I73.7Confident75.1Confident47 Ų4773.4 Ų73.424%0.24139%0.39CS..EExtended strand (participates in β ladder)trans-69120170.3-62.4169.2000107.2T6 L24 C26 F54 I228T6-I225 HydrophobicContact CG2-CD1 3.5Å; T6-I225 HydrophobicContact CG2-CG1 4.42Å; L24-I225 HydrophobicContact CD2-CD1 3.64Å; L24-I225 HydrophobicContact CD2-CG1 4.43Å; L24-I225 HydrophobicContact CD2-CG2 4.06Å; C26-I225 HydrophobicContact CB-CG2 3.9Å; F54-I225 HydrophobicContact CZ-CD1 4.03Å; I225-I228 HydrophobicContact CG2-CD1 4.45Å; I225-I228 HydrophobicContact CG2-CG1 3.85Å
226Q67Low73.6Confident83 Ų8379 Ų7939%0.38842%0.421SS..EExtended strand (participates in β ladder)trans-119.2160.7170.7-164.7161.6-2.100108.2C26 K27 I29 W224 I228C26-Q226 WeakPolarHBondContact CB-O 3.45Å; K27-Q226 PolarHBondContact N-O 2.85Å; K27-Q226 CarbonylContact O-C 3.42Å; K27-Q226 VanDerWaalsContact O-C 3.25Å; I29-Q226 VanDerWaalsContact CD1-OE1 3.29Å; W224-Q226 PolarHBondContact O-N 3.43Å; Q226-I228 PolarHBondContact O-N 2.97Å
227D77.3Confident72.1Confident98 Ų9884.7 Ų84.752%0.52445%0.453SS..EExtended strand (participates in β ladder)trans42.768.4173.4-57.2-19.8000114.7C26 K27 L229C26-D227 WeakPolarHBondContact CA-O 3.34Å; K27-D227 HydrophobicContact CB-CB 4.12Å; K27-D227 PolarHBondContact N-O 2.91Å; D227-L229 PolarHBondContact O-N 3.45Å; D227-L229 VanDerWaalsContact O-N 3.12Å
228I84.3Confident70.5Confident104 Ų10487.9 Ų87.953%0.53349%0.487SS..EExtended strand (participates in β ladder)trans-62115.2173.1-61.7170.9000108.4L24 I225 Q226 V231L24-I228 HydrophobicContact CD1-CB 4.5Å; L24-I228 HydrophobicContact CD1-CG1 4.25Å; L24-I228 HydrophobicContact CD1-CG2 3.61Å; I225-I228 HydrophobicContact CG2-CD1 4.45Å; I225-I228 HydrophobicContact CG2-CG1 3.85Å; Q226-I228 PolarHBondContact O-N 2.97Å; I228-V231 HydrophobicContact CG2-CG2 4.02Å
229L83.9Confident69.6Low93 Ų9390 Ų9049%0.48750%0.497SS..EExtended strand (participates in β ladder)trans-87.5-48179.7-58.5-179.5000110.9A25 K27 V49 D227A25-L229 HydrophobicContact CB-CB 4.35Å; A25-L229 WeakPolarHBondContact O-CB 3.4Å; A25-L229 PolarHBondContact O-N 2.81Å; K27-L229 HydrophobicContact CG-CD1 4.2Å; V49-L229 HydrophobicContact CB-CD1 4.25Å; V49-L229 HydrophobicContact CG1-CD1 3.68Å; V49-L229 HydrophobicContact CG2-CD1 3.53Å; D227-L229 PolarHBondContact O-N 3.45Å; D227-L229 VanDerWaalsContact O-N 3.12Å
230S82.6Confident68.8Low32 Ų3291.7 Ų91.722%0.22450%0.502CS..EExtended strand (participates in β ladder)trans-155.1150.7176.174.20000113.1A25A25-S230 PolarHBondContact N-O 3.4Å; A25-S230 PolarHBondContact O-N 3.03Å
231V88.1Confident68.1Low83 Ų8394.3 Ų94.350%0.50352%0.518SS..EExtended strand (participates in β ladder)trans-121.8123.9171.4-177.50000107.2L22 L23 L24 I228L22-V231 HydrophobicContact CD1-CG1 4.43Å; L22-V231 HydrophobicContact CD2-CG1 4.33Å; L23-V231 WeakPolarHBondContact O-CA 3.37Å; L24-V231 HydrophobicContact CD1-CG2 3.56Å; I228-V231 HydrophobicContact CG2-CG2 4.02Å
232R87.9Confident67.4Low165 Ų16597.3 Ų97.362%0.62354%0.538SS*.EExtended strand (participates in β ladder)trans-130147.5178.6-55.9-176.9-160.4-173.84110L22 L23 Y234L22-R232 CarbonylContact C-O 3.57Å; L22-R232 VanDerWaalsContact CA-O 3.29Å; L22-R232 WeakPolarHBondContact CA-O 3.28Å; L23-R232 PolarHBondContact N-O 3.24Å; L23-R232 PolarHBondContact O-N 2.84Å; R232-Y234 PolarHBondContact O-N 3.29Å
233A86.4Confident67Low69 Ų69100.9 Ų100.957%0.5755%0.552SS**EExtended strand (participates in β ladder)trans-64.1127.716600000108.2A19 A235A19-A233 HydrophobicContact CB-CB 3.95Å; A233-A235 PolarHBondContact O-N 3.23Å
234Y76.5Confident66.4Low67 Ų67107 Ų10726%0.26358%0.578SS.*  trans-80.9106174.8-173.6-97.6000107.6A21 L23 R232A21-Y234 HydrophobicContact CB-CD1 4.25Å; A21-Y234 HydrophobicContact CB-CG 4.39Å; A21-Y234 PolarHBondContact O-N 2.81Å; L23-Y234 HydrophobicContact CB-CD2 4.27Å; L23-Y234 HydrophobicContact CD1-CD2 3.93Å; L23-Y234 HydrophobicContact CD1-CE2 4.19Å; R232-Y234 PolarHBondContact O-N 3.29Å
235A66.3Low65.3Low63 Ų63102 Ų10252%0.52157%0.572SS.*  trans-91.9131169.600000107.3A233 D237A233-A235 PolarHBondContact O-N 3.23Å; A235-D237 WeakPolarHBondContact CB-OD1 3.41Å; A235-D237 PolarHBondContact O-N 3.36Å
236D55.9Low64Low122 Ų122104.8 Ų104.865%0.65259%0.591SS**THydrogen-bonded Turntrans-66.54.2-176.9-164.235.6000112.9
237D53.9Low62.8Low146 Ų146109.3 Ų109.378%0.78161%0.612SS**THydrogen-bonded Turntrans-95.82.3-157.9-32.711.1000114.4A235A235-D237 WeakPolarHBondContact CB-OD1 3.41Å; A235-D237 PolarHBondContact O-N 3.36Å
238G51.1Low61.5Low72 Ų72112 Ų11274%0.74262%0.621SS**SBendtrans-171.117.3-170.700000121.7
239E51.4Low60.1Low128 Ų128115.5 Ų115.560%0.59864%0.635SS**  trans-142.233-179.3-143.2175.3-155.800113.5V241E239-V241 VanDerWaalsContact C-N 3.29Å; E239-V241 PolarHBondContact O-N 3.34Å
240L48.5Very low58.3Low132 Ų132118 Ų11869%0.69164%0.644SS**  trans-86.371.3165.4-66.5178000109.8
241V46.8Very low57Low108 Ų108122.1 Ų122.166%0.65567%0.668SS**  trans-12794.6151.9-1720000106.8E239 D243E239-V241 VanDerWaalsContact C-N 3.29Å; E239-V241 PolarHBondContact O-N 3.34Å; V241-D243 PolarHBondContact O-N 3.17Å
242P47.9Very low55.3Low99 Ų99127.6 Ų127.664%0.64368%0.681SS**  trans-57.2119.8159.7-19.231.9000108L244P242-L244 PolarHBondContact O-N 3.34Å
243D49.6Very low53.9Low161 Ų161126 Ų12686%0.86169%0.685SS**SBendtrans-6621.3178.1-104.6-2.2000114.2V241V241-D243 PolarHBondContact O-N 3.17Å
244L49.6Very low52.9Low154 Ų154129.6 Ų129.681%0.80669%0.694SS**  trans-114.164.7173.4-73.8156.7000108.5P242 V246P242-L244 PolarHBondContact O-N 3.34Å; L244-V246 PolarHBondContact O-N 3.19Å
245V43.1Very low51.9Low116 Ų116134.4 Ų134.470%0.70372%0.719SS**  trans-69.488.1155.1-177.30000105.9H247V245-H247 PolarHBondContact O-N 3.01Å
246V45.7Very low51.7Low106 Ų106137.1 Ų137.164%0.64273%0.725SS**  trans-55.6119.7153.1174.80000104.5L244 E248L244-V246 PolarHBondContact O-N 3.19Å; V246-E248 HydrophobicContact CG1-CG 4.37Å; V246-E248 PolarHBondContact O-N 3.29Å
247H42.8Very low52Low177 Ų177138.3 Ų138.382%0.81973%0.732SS**  trans-64.883.4176-141.462.3000107.1V245 E249V245-H247 PolarHBondContact O-N 3.01Å; H247-E249 PolarHBondContact O-N 3.41Å
248E48.5Very low52.2Low155 Ų155139.6 Ų139.672%0.72473%0.733SS**  trans-71.5108165.7-67.2-170.2-165.200105.6V246 E250V246-E248 HydrophobicContact CG1-CG 4.37Å; V246-E248 PolarHBondContact O-N 3.29Å; E248-E250 PolarHBondContact O-N 2.95Å
249E54.7Low52.7Low178 Ų178142.3 Ų142.383%0.83273%0.73SS**  trans-60.883.8172-171.7172.6-159.300108.2H247 V251H247-E249 PolarHBondContact O-N 3.41Å; E249-V251 VanDerWaalsContact C-N 3.34Å; E249-V251 PolarHBondContact O-N 2.81Å
250E46.1Very low53Low144 Ų144145.3 Ų145.367%0.67374%0.744SS**  trans-72.495.3168.6-72.4-176.7173.500107.9E248 Y252E248-E250 PolarHBondContact O-N 2.95Å; E250-Y252 WeakPolarHBondContact O-CD2 3.44Å; E250-Y252 PolarHBondContact O-N 3.22Å; E250-Y252 VanDerWaalsContact O-N 3.14Å
251V56.9Low53.4Low119 Ų119147.6 Ų147.672%0.72175%0.751SS**  trans-55.9109159.7168.90000107.1E249 D253E249-V251 VanDerWaalsContact C-N 3.34Å; E249-V251 PolarHBondContact O-N 2.81Å; V251-D253 PolarHBondContact O-N 3.4Å; V251-D253 VanDerWaalsContact O-N 3.1Å
252Y52Low53.9Low199 Ų199148.2 Ų148.278%0.7876%0.761SS**  trans-70.1102167.6-67.8-88.2000107.6E250 D254E250-Y252 WeakPolarHBondContact O-CD2 3.44Å; E250-Y252 PolarHBondContact O-N 3.22Å; E250-Y252 VanDerWaalsContact O-N 3.14Å; Y252-D254 PolarHBondContact O-N 3.3Å
253D59.1Low54.5Low132 Ų132150.1 Ų150.171%0.70677%0.766SS**  trans-71.7109.7162.9-130.5-4.4000106.5V251 E255V251-D253 PolarHBondContact O-N 3.4Å; V251-D253 VanDerWaalsContact O-N 3.1Å; D253-E255 VanDerWaalsContact C-N 3.33Å; D253-E255 PolarHBondContact O-N 3.16Å; D253-E255 VanDerWaalsContact O-N 3.08Å
254D64.3Low54.8Low144 Ų144154.5 Ų154.577%0.7777%0.77SS**  trans-74.876178.552.1-36.9000110.5Y252Y252-D254 PolarHBondContact O-N 3.3Å
255E55.9Low55.1Low167 Ų167157.6 Ų157.678%0.7877%0.771SS**  trans-130.694.8171.3-65.6-165.3177.300112.4D253D253-E255 VanDerWaalsContact C-N 3.33Å; D253-E255 PolarHBondContact O-N 3.16Å; D253-E255 VanDerWaalsContact O-N 3.08Å
256D62.2Low55.7Low121 Ų121158.2 Ų158.265%0.64777%0.771SS**  82.577.7128.6-140.16.8000118.5E258D256-E258 VanDerWaalsContact C-N 3.33Å; D256-E258 WeakPolarHBondContact OD1-CB 3.1Å; D256-E258 WeakPolarHBondContact OD1-CG 3.21Å
257D61.2Low56.5Low147 Ų147159.6 Ų159.679%0.78677%0.774SS**  trans-94.855.8154.159.4-17.7000111.5N259D257-N259 PolarHBondContact O-N 2.94Å
258E58.2Low57.5Low172 Ų172159.9 Ų159.980%0.80477%0.769SS**  trans-62.568.1154.7-86-176-16600110.4D256D256-E258 VanDerWaalsContact C-N 3.33Å; D256-E258 WeakPolarHBondContact OD1-CB 3.1Å; D256-E258 WeakPolarHBondContact OD1-CG 3.21Å
259N61.3Low58.3Low130 Ų130158 Ų15870%0.69577%0.77SS**  trans-122.970.4156.867.6-1.2000110.8D257 E261D257-N259 PolarHBondContact O-N 2.94Å; N259-E261 VanDerWaalsContact C-N 3.32Å; N259-E261 PolarHBondContact O-N 2.82Å
260E59.3Low58.5Low190 Ų190156.6 Ų156.689%0.88877%0.769SS**  trans-52.989.1152.4-71.9-175.7151.100111
261E55.7Low59.1Low180 Ų180159 Ų15984%0.84178%0.78SS**  trans-139.982.2156.4-72.3-157.9164.800112.2N259 N263N259-E261 VanDerWaalsContact C-N 3.32Å; N259-E261 PolarHBondContact O-N 2.82Å; E261-N263 PolarHBondContact O-N 3.43Å
262S58.1Low58.8Low122 Ų122160 Ų16085%0.85378%0.781SS**  48.763.8128.7-58.80000118.8
263N59.3Low58.7Low139 Ų139155.8 Ų155.874%0.74378%0.781SS**  trans-138.133.7162.6-136.2-2.9000115E261E261-N263 PolarHBondContact O-N 3.43Å
264W56Low57.9Low253 Ų253153.2 Ų153.296%0.95879%0.785SS**  trans-103.410.9177.5-6710.1000113.6N266W264-N266 PolarHBondContact O-N 2.92Å
265R56.7Low56.6Low219 Ų219152 Ų15283%0.82679%0.788SS**  trans-93.542.7170.1-81.3-170.3136.61012.6112.3D267R265-D267 PolarHBondContact O-N 3.37Å
266N56.9Low56Low129 Ų129151.3 Ų151.369%0.6979%0.79SS**  trans-73.380.2145.7-98.212.3000106.6W264 Y268W264-N266 PolarHBondContact O-N 2.92Å; N266-Y268 PolarHBondContact O-N 3.39Å
267D62.3Low54.8Low135 Ų135151 Ų15172%0.72280%0.797SS**  trans-66.592.5154.1-75.3-33.6000104.9R265R265-D267 PolarHBondContact O-N 3.37Å
268Y62.8Low54.2Low182 Ų182151.7 Ų151.771%0.71480%0.801SS**  trans-52.7130.1165.4-108.6-98000106.6N266 D270N266-Y268 PolarHBondContact O-N 3.39Å; Y268-D270 VanDerWaalsContact C-N 3.29Å; Y268-D270 PolarHBondContact O-N 3.1Å
269P64.7Low53.5Low115 Ų115155.2 Ų155.275%0.74781%0.807SS**  trans-64.110116925.4-29.6000106.8E271P269-E271 PolarHBondContact O-N 3.14Å; P269-E271 VanDerWaalsContact O-N 3.1Å
270D59.2Low52.5Low149 Ų149156.4 Ų156.480%0.79781%0.808SS**  trans-60.1114.7167.1-72.7-31000106.4Y268 D272Y268-D270 VanDerWaalsContact C-N 3.29Å; Y268-D270 PolarHBondContact O-N 3.1Å; D270-D272 PolarHBondContact O-N 2.93Å
271E59.8Low52.1Low194 Ų194155.2 Ų155.291%0.90780%0.803SS**  trans-60.599.4173.3-65.9-168.2168.900108.4P269P269-E271 PolarHBondContact O-N 3.14Å; P269-E271 VanDerWaalsContact O-N 3.1Å
272D49.9Very low51.7Low141 Ų141157.7 Ų157.775%0.75480%0.804SS**  trans-128.996.8165.3-124.4-17.1000111.3D270D270-D272 PolarHBondContact O-N 2.93Å
273S50Low50.9Low111 Ų111161.6 Ų161.678%0.77680%0.802SS**  44.9107.1126.1-41.20000118.4
274G42.5Very low50.3Low77 Ų77158.6 Ų158.679%0.79480%0.804SS**  trans147.7111.3137.100000119.2
275S36.8Very low49.6Very low118 Ų118152.9 Ų152.983%0.82579%0.792SS**  trans87.6105.2133.9-160.70000119.7
276D43Very low49.1Very low153 Ų153151.3 Ų151.382%0.81879%0.787SS**  trans18.8125.1135.3-80.3-28.2000119.3
277S37.2Very low48.1Very low115 Ų115156.9 Ų156.980%0.80480%0.799SS**  179.4142.995.5600000112.8
278D49.7Very low47Very low161 Ų161159.2 Ų159.286%0.86181%0.805SS**  trans-39.8130.5166.6-80.4-43.8000114.6
279R41.6Very low46.3Very low246 Ų246158.5 Ų158.593%0.92881%0.808SS**  trans-155.7119.3133.1-156.1164.5177.9141.6-0.7113.5
280E42Very low45.5Very low155 Ų155159.3 Ų159.372%0.72480%0.803SS**  trans-53138.6171.6-66.1178.6129.300114.6
281Q50.7Low44.6Very low166 Ų166161.4 Ų161.478%0.77681%0.807SS**  trans47.8100.3137.1-66.8138.352.400118.2
282R47.4Very low43.9Very low231 Ų231156.1 Ų156.187%0.87279%0.792SS**  trans-158.9132.7138.9-141.5174.5-172.5-155.9-0.2110.8
283Y40.3Very low43.7Very low204 Ų204157 Ų15780%0.879%0.785SS**  trans79.472.4179.8-79.8-91.6000116.5
284G46.9Very low43.6Very low76 Ų76158 Ų15878%0.78479%0.791SS**  trans-77.2117.4135.100000108.3
285D42.5Very low44Very low133 Ų133164.8 Ų164.871%0.71179%0.793SS**  trans-174.2138.6148-116-11.8000108.5
286Y44.5Very low44.6Very low187 Ų187167.9 Ų167.973%0.73379%0.786SS**  trans73.693.6-176.3-66-91.6000115.2
287W36.3Very low45.2Very low246 Ų246165.7 Ų165.793%0.93278%0.775SS**  -172.173.6109.1-72.5114.5000107.4
288E40.3Very low46.2Very low183 Ų183168.7 Ų168.786%0.85577%0.768SS**  trans-77.2152.1155.1-101.7-178.7170.700109
289E47.9Very low46.8Very low167 Ų167166.8 Ų166.878%0.7875%0.754SS**  trans69.3111.8177.9-86.9159.6-179.900114
290E46.5Very low47.8Very low133 Ų133163.9 Ų163.962%0.62174%0.743SS**SBend-167.941.775.8-153168.3-155.700114Y293E290-Y293 HydrophobicContact CG-CE2 3.72Å
291H40.2Very low48.9Very low193 Ų193163.3 Ų163.389%0.89474%0.735SS**SBendtrans-134.761.9173.8-64.8-53.1000113.1
292S45Very low49.5Very low83 Ų83160.3 Ų160.358%0.5872%0.722SS**  trans-14731.2171.4-860000115C294S292-C294 VanDerWaalsContact C-N 3.33Å; S292-C294 PolarHBondContact O-N 3.05Å
293Y46.6Very low50.6Low158 Ų158156.6 Ų156.662%0.6271%0.712SS**THydrogen-bonded Turntrans-78.9-0.3-176.3-74.1-68.1000116.8E290E290-Y293 HydrophobicContact CG-CE2 3.72Å
294C47.9Very low52Low133 Ų133151.2 Ų151.290%0.89970%0.697SS**THydrogen-bonded Turntrans-111.3-4.2-172.9-65.60000116.2S292S292-C294 VanDerWaalsContact C-N 3.33Å; S292-C294 PolarHBondContact O-N 3.05Å
295R51.4Low53.2Low220 Ų220149.9 Ų149.983%0.8367%0.673SS**THydrogen-bonded Turntrans-125-19.3-175.2-152.3180-95.3-112.74.8116.5
296R47.9Very low54.5Low183 Ų183147.9 Ų147.969%0.69166%0.662SS**SBendtrans-99.9-10.2-179.8-71.3-171.3176.2115.1-2.5115.2
297N56.7Low55.4Low107 Ų107145.9 Ų145.957%0.57266%0.659SS**Hα-helixtrans-81.4-23.3-177.7-161.818.4000113R300 Y301N297-R300 PolarHBondContact O-N 3.25Å; N297-Y301 WeakPolarHBondContact O-CB 3.27Å; N297-Y301 PolarHBondContact O-N 3.04Å
298W58.3Low56.8Low178 Ų178142.3 Ų142.367%0.67465%0.653SS**Hα-helixtrans-65.9-44.6-178.6-176.8-98.2000112.7Q302W298-Q302 VanDerWaalsContact O-CB 3.27Å; W298-Q302 WeakPolarHBondContact O-CB 3.33Å; W298-Q302 PolarHBondContact O-N 2.84Å
299Q62.1Low57.8Low121 Ų121139.6 Ų139.657%0.56564%0.644SS**Hα-helixtrans-71.8-30.2179.4-61.3101.117.800112.7K303Q299-K303 WeakPolarHBondContact O-CB 3.35Å; Q299-K303 PolarHBondContact O-N 3.31Å; Q299-K303 VanDerWaalsContact O-N 3.09Å
300R62.1Low58Low185 Ų185134.5 Ų134.570%0.69864%0.636SS**Hα-helixtrans-72.6-47.1174.5-86.1179.7167175.3-4.2111.6N297 Q302 K303 D304N297-R300 PolarHBondContact O-N 3.25Å; R300-Q302 VanDerWaalsContact C-N 3.29Å; R300-Q302 PolarHBondContact O-N 3.43Å; R300-K303 PolarHBondContact O-N 3.3Å; R300-D304 WeakPolarHBondContact O-CB 3.39Å; R300-D304 PolarHBondContact O-N 3.08Å
301Y66.6Low58.1Low142 Ų142132.4 Ų132.456%0.55764%0.635SS**Hα-helixtrans-56.5-44.2172.5-177.7-103000111.6N297 K303 D304 V305N297-Y301 WeakPolarHBondContact O-CB 3.27Å; N297-Y301 PolarHBondContact O-N 3.04Å; Y301-K303 VanDerWaalsContact C-N 3.31Å; Y301-K303 PolarHBondContact O-N 3.09Å; Y301-D304 PolarHBondContact O-N 3.32Å; Y301-V305 HydrophobicContact CD1-CG2 4.32Å; Y301-V305 HydrophobicContact CD2-CG2 4.48Å; Y301-V305 HydrophobicContact CE1-CG2 4.03Å; Y301-V305 HydrophobicContact CE2-CG2 4.2Å; Y301-V305 WeakPolarHBondContact O-CB 3.13Å; Y301-V305 WeakPolarHBondContact O-CG2 3.46Å; Y301-V305 PolarHBondContact O-N 3.35Å
302Q62.7Low58.3Low104 Ų104127.6 Ų127.649%0.48662%0.623SS.*Hα-helixtrans-62.4-36.9175.4-171.6-178-32.100112.5W298 R300 L306W298-Q302 VanDerWaalsContact O-CB 3.27Å; W298-Q302 WeakPolarHBondContact O-CB 3.33Å; W298-Q302 PolarHBondContact O-N 2.84Å; R300-Q302 VanDerWaalsContact C-N 3.29Å; R300-Q302 PolarHBondContact O-N 3.43Å; Q302-L306 HydrophobicContact CG-CD1 4.38Å; Q302-L306 WeakPolarHBondContact O-CD1 3.16Å; Q302-L306 WeakPolarHBondContact O-CG 3.39Å; Q302-L306 PolarHBondContact O-N 3.33Å; Q302-L306 VanDerWaalsContact O-N 3.16Å
303K69.7Low58.4Low152 Ų152126.9 Ų126.966%0.66163%0.629SS**Hα-helixtrans-74.9-39.8179.2-162.8177-176.5175.50112.3Q299 R300 Y301 L306 Q307Q299-K303 WeakPolarHBondContact O-CB 3.35Å; Q299-K303 PolarHBondContact O-N 3.31Å; Q299-K303 VanDerWaalsContact O-N 3.09Å; R300-K303 PolarHBondContact O-N 3.3Å; Y301-K303 VanDerWaalsContact C-N 3.31Å; Y301-K303 PolarHBondContact O-N 3.09Å; K303-L306 PolarHBondContact O-N 2.94Å; K303-Q307 WeakPolarHBondContact O-CB 3.42Å; K303-Q307 PolarHBondContact O-N 2.83Å
304D70.3Confident58.1Low92 Ų92127 Ų12749%0.49264%0.635SS.*Hα-helixtrans-68-39.1177.4-69-10.9000110.8R300 Y301 Q307 E308R300-D304 WeakPolarHBondContact O-CB 3.39Å; R300-D304 PolarHBondContact O-N 3.08Å; Y301-D304 PolarHBondContact O-N 3.32Å; D304-Q307 PolarHBondContact O-N 3.1Å; D304-E308 WeakPolarHBondContact O-CB 3.48Å; D304-E308 PolarHBondContact O-N 3.2Å
305V72.4Confident57.7Low47 Ų47128.5 Ų128.529%0.28563%0.634SS.*Hα-helixtrans-62-43.2171.91690000111Y301 Q307 E308 L309Y301-V305 HydrophobicContact CD1-CG2 4.32Å; Y301-V305 HydrophobicContact CD2-CG2 4.48Å; Y301-V305 HydrophobicContact CE1-CG2 4.03Å; Y301-V305 HydrophobicContact CE2-CG2 4.2Å; Y301-V305 WeakPolarHBondContact O-CB 3.13Å; Y301-V305 WeakPolarHBondContact O-CG2 3.46Å; Y301-V305 PolarHBondContact O-N 3.35Å; V305-Q307 VanDerWaalsContact C-N 3.28Å; V305-Q307 PolarHBondContact O-N 2.9Å; V305-E308 PolarHBondContact O-N 3.05Å; V305-L309 HydrophobicContact CG1-CD1 3.57Å; V305-L309 WeakPolarHBondContact O-CB 3.16Å; V305-L309 WeakPolarHBondContact O-CD1 3.46Å; V305-L309 PolarHBondContact O-N 2.91Å
306L68.6Low57.2Low92 Ų92124.2 Ų124.248%0.48263%0.628SS.*Hα-helixtrans-66.4-30.6176.5-73.3167.3000112.9Q302 K303 C311Q302-L306 HydrophobicContact CG-CD1 4.38Å; Q302-L306 WeakPolarHBondContact O-CD1 3.16Å; Q302-L306 WeakPolarHBondContact O-CG 3.39Å; Q302-L306 PolarHBondContact O-N 3.33Å; Q302-L306 VanDerWaalsContact O-N 3.16Å; K303-L306 PolarHBondContact O-N 2.94Å; L306-C311 PolarHBondContact O-N 3.05Å
307Q65Low56.8Low144 Ų144122.3 Ų122.367%0.67363%0.631SS**Hα-helixtrans-77.4-37.8176.4-169.3168.718.600112.2K303 D304 V305 G310K303-Q307 WeakPolarHBondContact O-CB 3.42Å; K303-Q307 PolarHBondContact O-N 2.83Å; D304-Q307 PolarHBondContact O-N 3.1Å; V305-Q307 VanDerWaalsContact C-N 3.28Å; V305-Q307 PolarHBondContact O-N 2.9Å; Q307-G310 PolarHBondContact O-N 3.34Å
308E64.1Low56Low172 Ų172125.7 Ų125.780%0.80464%0.643SS**Hα-helixtrans-70.4-30.8176.4-165.2177.8-162.100112.1D304 V305 G310D304-E308 WeakPolarHBondContact O-CB 3.48Å; D304-E308 PolarHBondContact O-N 3.2Å; V305-E308 PolarHBondContact O-N 3.05Å; E308-G310 PolarHBondContact O-N 3.36Å
309L62.1Low55.2Low126 Ų126124 Ų12466%0.6665%0.648SS**THydrogen-bonded Turntrans-76.62.5170.5-87.4115.2000114.4V305 C311V305-L309 HydrophobicContact CG1-CD1 3.57Å; V305-L309 WeakPolarHBondContact O-CB 3.16Å; V305-L309 WeakPolarHBondContact O-CD1 3.46Å; V305-L309 PolarHBondContact O-N 2.91Å; L309-C311 VanDerWaalsContact C-N 3.29Å; L309-C311 PolarHBondContact O-N 2.8Å
310G51.9Low54.6Low60 Ų60127 Ų12762%0.61966%0.659SS**THydrogen-bonded Turntrans68.822.4173.600000114.7Q307 E308 S312Q307-G310 PolarHBondContact O-N 3.34Å; E308-G310 PolarHBondContact O-N 3.36Å; G310-S312 VanDerWaalsContact C-N 3.28Å; G310-S312 PolarHBondContact O-N 3.18Å
311C49.2Very low53.7Low89 Ų89129.2 Ų129.260%0.60167%0.669SS**  trans-88.663174.1-670000110.1L306 L309 G313L306-C311 PolarHBondContact O-N 3.05Å; L309-C311 VanDerWaalsContact C-N 3.29Å; L309-C311 PolarHBondContact O-N 2.8Å; C311-G313 PolarHBondContact O-N 3.32Å
312S44.6Very low52.9Low92 Ų92129.7 Ų129.764%0.64368%0.681SS**  trans-73.3108.2159.165.30000107.2G310 E314G310-S312 VanDerWaalsContact C-N 3.28Å; G310-S312 PolarHBondContact O-N 3.18Å; S312-E314 VanDerWaalsContact C-N 3.28Å; S312-E314 PolarHBondContact O-N 3.22Å
313G46.1Very low52.3Low67 Ų67130.1 Ų130.169%0.69170%0.696SS**  trans-59.4100.6158.700000107.5C311 D315C311-G313 PolarHBondContact O-N 3.32Å; G313-D315 PolarHBondContact O-N 2.81Å
314E40.3Very low51.1Low160 Ų160134.1 Ų134.175%0.74872%0.724SS**  trans-64.191.3157.5-68.2167.4142.900105.9S312 D316S312-E314 VanDerWaalsContact C-N 3.28Å; S312-E314 PolarHBondContact O-N 3.22Å; E314-D316 PolarHBondContact O-N 3.42Å
315D40.8Very low50.1Low165 Ų165136.3 Ų136.388%0.88274%0.736SS**  trans-84.477.6159.4-71.7-30.6000106.6G313G313-D315 PolarHBondContact O-N 2.81Å
316D39.7Very low49Very low131 Ų131140.9 Ų140.970%0.70176%0.76SS**  trans-74.1121.4159.6-89.2-18.8000108.6E314E314-D316 PolarHBondContact O-N 3.42Å
317D40.8Very low47.9Very low143 Ų143143.7 Ų143.777%0.76578%0.775SS**  trans52.3144.4137.4-65.2-36.9000123.4
318E39.3Very low46.9Very low177 Ų177143.6 Ų143.683%0.82778%0.781SS**  trans76117.7161.4-75.4178.815900116.3
319D41.3Very low45.8Very low142 Ų142141.9 Ų141.976%0.75978%0.78SS**  -160.6145.655.6-86.1-50000114.3
320K48.8Very low44.7Very low186 Ų186142.9 Ų142.981%0.80979%0.788SS**  trans-42.5139.6154.8-85.8169.7163.21730112.7
321Y44.3Very low44.2Very low231 Ų231148.9 Ų148.991%0.90680%0.8SS**  trans-148.3128.7130.1-92.3-76.8000110.8
322D49.9Very low43.8Very low152 Ų152153.5 Ų153.581%0.81382%0.815SS**  trans-60.5170.7170.3-82.5-50.2000113.5
323S49.1Very low43.7Very low113 Ų113158.6 Ų158.679%0.7983%0.829SS**  trans107.7122.3170.4-62.60000112.6
324D44.7Very low43.5Very low236 Ų236166.9 Ų166.9100%1.26284%0.842SS**  cis-153.7014.4-123.3-6.1000108.2

Retrieved 324 of 324 residues in 150.9 ms (Link to these results)

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