X6RLY7_HUMAN Loading...

Calcium voltage-gated channel auxiliary subunit alpha2delta 4

AlphaFold DB , UniProt , Accession X6RLY7, Species HUMAN (Homo sapiens, Human), Gene CACNA2D4, Length 282 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
1M62.8Low85.4Confident214 Ų214109.7 Ų109.7100%1.05450%0.495SS*.  0139.80-100.3176.6-169.200108.8L6M1-L6 HydrophobicContact SD-CD1 3.75Å
2K85.4Confident85.6Confident175 Ų175103.3 Ų103.376%0.76148%0.477SS*.  trans-87.3128.2173.5-71.1-176.1176.7-178.20109.3E4 F5 L6K2-E4 PolarHBondContact O-N 3.21Å; K2-F5 WeakPolarHBondContact O-CB 3.4Å; K2-F5 PolarHBondContact O-N 3.04Å; K2-L6 PolarHBondContact O-N 3.32Å
3L85Confident85.6Confident86 Ų8699.5 Ų99.545%0.4547%0.474SS..Hα-helixtrans-51.9-42.8180-179.368.5000112.1F5 L6 Q7 T53L3-F5 VanDerWaalsContact C-N 3.28Å; L3-F5 PolarHBondContact O-N 3.09Å; L3-L6 WeakPolarHBondContact O-CB 3.49Å; L3-L6 PolarHBondContact O-N 3.47Å; L3-L6 VanDerWaalsContact O-N 3.13Å; L3-Q7 HydrophobicContact CG-CG 4.44Å; L3-Q7 PolarHBondContact O-N 3.45Å; L3-T53 HydrophobicContact CD2-CG2 4.17Å
4E86.5Confident85.5Confident118 Ų11894.5 Ų94.555%0.55145%0.453SS*.Hα-helixtrans-59.6-36.1180-62.9-167.2-179.600113.6K2 R8K2-E4 PolarHBondContact O-N 3.21Å; E4-R8 WeakPolarHBondContact O-CB 3.24Å; E4-R8 VanDerWaalsContact O-CG 3.24Å; E4-R8 WeakPolarHBondContact O-CG 2.96Å; E4-R8 PolarHBondContact O-N 2.91Å; E4-R8 IonicContact OE2-NH2 3.61Å
5F89.1Confident85.1Confident129 Ų12997.7 Ų97.757%0.56646%0.459SS*.Hα-helixtrans-68.4-41.2178.7178.7-96.9000110.9K2 L3 R8 K9K2-F5 WeakPolarHBondContact O-CB 3.4Å; K2-F5 PolarHBondContact O-N 3.04Å; L3-F5 VanDerWaalsContact C-N 3.28Å; L3-F5 PolarHBondContact O-N 3.09Å; F5-R8 PolarHBondContact O-N 3Å; F5-K9 HydrophobicContact CD1-CG 4.33Å; F5-K9 HydrophobicContact CE1-CG 3.92Å; F5-K9 HydrophobicContact CE2-CG 4.38Å; F5-K9 HydrophobicContact CZ-CD 4.39Å; F5-K9 HydrophobicContact CZ-CG 3.95Å; F5-K9 WeakPolarHBondContact O-CG 2.98Å; F5-K9 PolarHBondContact O-N 2.63Å
6L87Confident84.5Confident74 Ų74101.3 Ų101.339%0.38748%0.475SS..Hα-helixtrans-64.1-47.1177.4-118.3157.2000111M1 K2 L3 R8 K9 F10 I46M1-L6 HydrophobicContact SD-CD1 3.75Å; K2-L6 PolarHBondContact O-N 3.32Å; L3-L6 WeakPolarHBondContact O-CB 3.49Å; L3-L6 PolarHBondContact O-N 3.47Å; L3-L6 VanDerWaalsContact O-N 3.13Å; L6-R8 PolarHBondContact O-N 1.98Å; L6-K9 PolarHBondContact O-N 3.24Å; L6-F10 WeakPolarHBondContact O-CB 3.34Å; L6-F10 PolarHBondContact O-N 3.24Å; L6-I46 HydrophobicContact CD2-CD1 4.15Å
7Q88.3Confident83.8Confident39 Ų3998.4 Ų98.418%0.18247%0.468CS..Hα-helixtrans-56.4-50.7173.9-77.6177.3-22.200111.6L3 K9 F10 W11 I46L3-Q7 HydrophobicContact CG-CG 4.44Å; L3-Q7 PolarHBondContact O-N 3.45Å; Q7-K9 VanDerWaalsContact C-N 3.3Å; Q7-K9 PolarHBondContact O-N 3.36Å; Q7-F10 WeakPolarHBondContact O-CB 3.46Å; Q7-F10 PolarHBondContact O-N 3.13Å; Q7-F10 VanDerWaalsContact O-N 3.17Å; Q7-W11 VanDerWaalsContact O-CG 3.26Å; Q7-W11 PolarHBondContact O-N 3.49Å; Q7-I46 HydrophobicContact CG-CG2 4.12Å
8R88.9Confident82.8Confident170 Ų17095.8 Ų95.864%0.64246%0.463SS*.Hα-helixtrans-59.2-40.6178.7-73.6176.3-166.5-169.97.6112.6E4 F5 L6 A12E4-R8 WeakPolarHBondContact O-CB 3.24Å; E4-R8 VanDerWaalsContact O-CG 3.24Å; E4-R8 WeakPolarHBondContact O-CG 2.96Å; E4-R8 PolarHBondContact O-N 2.91Å; E4-R8 IonicContact OE2-NH2 3.61Å; F5-R8 PolarHBondContact O-N 3Å; L6-R8 PolarHBondContact O-N 1.98Å; R8-A12 WeakPolarHBondContact O-CB 3.44Å; R8-A12 PolarHBondContact O-N 2.97Å; R8-A12 VanDerWaalsContact O-N 3.09Å
9K89.3Confident81.6Confident128 Ų12898.6 Ų98.656%0.55749%0.486SS*.Hα-helixtrans-68.5-40176.8-75-66.4-172.9179.80112F5 L6 Q7 A12 A13F5-K9 HydrophobicContact CD1-CG 4.33Å; F5-K9 HydrophobicContact CE1-CG 3.92Å; F5-K9 HydrophobicContact CE2-CG 4.38Å; F5-K9 HydrophobicContact CZ-CD 4.39Å; F5-K9 HydrophobicContact CZ-CG 3.95Å; F5-K9 WeakPolarHBondContact O-CG 2.98Å; F5-K9 PolarHBondContact O-N 2.63Å; L6-K9 PolarHBondContact O-N 3.24Å; Q7-K9 VanDerWaalsContact C-N 3.3Å; Q7-K9 PolarHBondContact O-N 3.36Å; K9-A12 PolarHBondContact O-N 2.95Å; K9-A13 WeakPolarHBondContact O-CB 3.49Å; K9-A13 PolarHBondContact O-N 2.95Å
10F88.8Confident80.7Confident29 Ų2999.9 Ų99.913%0.12750%0.499CS..Hα-helixtrans-60.4-53.2175.3177.7-104.2000111.4L6 Q7 A12 A13 T14 V37 I46 L197L6-F10 WeakPolarHBondContact O-CB 3.34Å; L6-F10 PolarHBondContact O-N 3.24Å; Q7-F10 WeakPolarHBondContact O-CB 3.46Å; Q7-F10 PolarHBondContact O-N 3.13Å; Q7-F10 VanDerWaalsContact O-N 3.17Å; F10-A12 PolarHBondContact O-N 3.24Å; F10-A13 WeakPolarHBondContact O-CA 3.43Å; F10-A13 WeakPolarHBondContact O-CB 3.46Å; F10-A13 PolarHBondContact O-N 2.94Å; F10-T14 HydrophobicContact CD1-CG2 4.36Å; F10-T14 HydrophobicContact CD2-CG2 4.38Å; F10-T14 HydrophobicContact CE1-CG2 3.96Å; F10-T14 HydrophobicContact CE2-CG2 3.97Å; F10-T14 HydrophobicContact CZ-CG2 3.75Å; F10-T14 WeakPolarHBondContact O-CG2 3.49Å; F10-T14 PolarHBondContact O-N 2.85Å; F10-T14 PolarHBondContact O-OG1 3.26Å; F10-V37 HydrophobicContact CD2-CG2 3.87Å; F10-V37 HydrophobicContact CE1-CG2 4.37Å; F10-V37 HydrophobicContact CE2-CG2 3.46Å; F10-V37 VanDerWaalsContact CE2-CG2 3.46Å; F10-V37 HydrophobicContact CG-CG2 4.5Å; F10-V37 HydrophobicContact CZ-CG2 3.74Å; F10-I46 HydrophobicContact CB-CD1 4.15Å; F10-I46 HydrophobicContact CD1-CG2 3.86Å; F10-I46 HydrophobicContact CE1-CG2 4.19Å; F10-I46 HydrophobicContact CG-CD1 4.29Å; F10-I46 HydrophobicContact CG-CG2 4.41Å; F10-L197 HydrophobicContact CE2-CD1 3.9Å; F10-L197 HydrophobicContact CZ-CD1 3.61Å
11W88.2Confident79.8Confident45 Ų45101.6 Ų101.617%0.1751%0.51CS..Hα-helixtrans-64.4-26.3178.1-54.6131.2000113.8Q7 T14 R15 C28 C35 I46 K48Q7-W11 VanDerWaalsContact O-CG 3.26Å; Q7-W11 PolarHBondContact O-N 3.49Å; W11-T14 WeakPolarHBondContact CA-OG1 3.34Å; W11-T14 PolarHBondContact O-OG1 3.13Å; W11-R15 PolarHBondContact O-NE 3.01Å; W11-C28 HydrophobicContact CE3-CB 4.14Å; W11-C28 HydrophobicContact CZ3-CB 3.74Å; W11-C35 HydrophobicContact CZ3-CB 4.44Å; W11-I46 HydrophobicContact CZ2-CG2 4.16Å; W11-K48 HydrophobicContact CH2-CB 4.31Å
12A88.2Confident80Confident33 Ų3393.2 Ų93.227%0.27348%0.479SS..Hα-helixtrans-73.6-36.1171.400000112R8 K9 F10R8-A12 WeakPolarHBondContact O-CB 3.44Å; R8-A12 PolarHBondContact O-N 2.97Å; R8-A12 VanDerWaalsContact O-N 3.09Å; K9-A12 PolarHBondContact O-N 2.95Å; F10-A12 PolarHBondContact O-N 3.24Å
13A85.7Confident79.1Confident54 Ų5490.8 Ų90.845%0.44648%0.481SS..Hα-helixtrans-73.2-39.3178.400000112.3K9 F10 R15 Q16K9-A13 WeakPolarHBondContact O-CB 3.49Å; K9-A13 PolarHBondContact O-N 2.95Å; F10-A13 WeakPolarHBondContact O-CA 3.43Å; F10-A13 WeakPolarHBondContact O-CB 3.46Å; F10-A13 PolarHBondContact O-N 2.94Å; A13-R15 PolarHBondContact O-N 3.46Å; A13-R15 VanDerWaalsContact O-N 3.13Å; A13-Q16 PolarHBondContact O-N 3.44Å
14T83.3Confident78.4Confident29 Ų2990.3 Ų90.318%0.17848%0.484CS..THydrogen-bonded Turntrans-65.2-15.2177.556.80000113.6F10 W11 C28F10-T14 HydrophobicContact CD1-CG2 4.36Å; F10-T14 HydrophobicContact CD2-CG2 4.38Å; F10-T14 HydrophobicContact CE1-CG2 3.96Å; F10-T14 HydrophobicContact CE2-CG2 3.97Å; F10-T14 HydrophobicContact CZ-CG2 3.75Å; F10-T14 WeakPolarHBondContact O-CG2 3.49Å; F10-T14 PolarHBondContact O-N 2.85Å; F10-T14 PolarHBondContact O-OG1 3.26Å; W11-T14 WeakPolarHBondContact CA-OG1 3.34Å; W11-T14 PolarHBondContact O-OG1 3.13Å; T14-C28 HydrophobicContact CG2-CB 4.11Å
15R80.1Confident77.6Confident143 Ų14391 Ų9154%0.5450%0.497SS..THydrogen-bonded Turntrans-83.5-19.9172-75.5-178.2-83.4-177.6-13.9113.5W11 A13 E29W11-R15 PolarHBondContact O-NE 3.01Å; A13-R15 PolarHBondContact O-N 3.46Å; A13-R15 VanDerWaalsContact O-N 3.13Å; R15-E29 IonicContact CZ-OE2 3.79Å; R15-E29 IonicContact NE-OE2 3.65Å
16Q76.1Confident77.1Confident154 Ų15490 Ų9072%0.7249%0.494SS*.  trans-88.7116.8-176.5-67.81764.500108.8A13A13-Q16 PolarHBondContact O-N 3.44Å
17C72.2Confident76.9Confident52 Ų5287.4 Ų87.435%0.35148%0.481SS..  trans-112.4153.3177.6-63.10000110.9C24C17-C24 HydrophobicContact CB-CB 3.91Å; C17-C24 WeakPolarHBondContact CB-SG 3.46Å; C17-C24 WeakPolarHBondContact SG-CB 3.45Å; C17-C24 CovalentContact SG-SG 1.98Å; C17-C24 PolarHBondContact SG-SG 3.25Å
18S66.1Low76.8Confident53 Ų5386.1 Ų86.137%0.37148%0.477SS..  trans-60.3141.2178.5101.50000108.8V20 D21S18-V20 PolarHBondContact O-N 3.32Å; S18-V20 PolarHBondContact OG-N 2.98Å; S18-D21 PolarHBondContact O-N 2.91Å; S18-D21 PolarHBondContact OG-N 3.17Å; S18-D21 PolarHBondContact OG-OD2 3.31Å
19T58.9Low76.4Confident148 Ų14883 Ų8391%0.90847%0.469SS*.THydrogen-bonded Turntrans-66.9-3.6175.4520000113
20V63.8Low76.1Confident124 Ų12480 Ų8075%0.75246%0.46SS*.THydrogen-bonded Turntrans-94.3-29.4-174.4-174.70000111.5S18S18-V20 PolarHBondContact O-N 3.32Å; S18-V20 PolarHBondContact OG-N 2.98Å
21D62.4Low75.8Confident137 Ų13783 Ų8373%0.73348%0.484SS*.SBendtrans-99.14.4-171.9-57-52.3000114.1S18S18-D21 PolarHBondContact O-N 2.91Å; S18-D21 PolarHBondContact OG-N 3.17Å; S18-D21 PolarHBondContact OG-OD2 3.31Å
22G65.9Low75.7Confident38 Ų3884.9 Ų84.939%0.39250%0.497SS..  trans84-177.9-177.700000113.9
23P67.1Low75.8Confident123 Ų12384.7 Ų84.780%0.79949%0.491SS*.SBendtrans-67133.3177.927.3-32.2000110.6T25P23-T25 PolarHBondContact O-N 3.07Å
24C69.8Low76.1Confident76 Ų7682.8 Ų82.851%0.51447%0.474SS..  trans-67.3118.6175.9-92.10000111.6C17C17-C24 HydrophobicContact CB-CB 3.91Å; C17-C24 WeakPolarHBondContact CB-SG 3.46Å; C17-C24 WeakPolarHBondContact SG-CB 3.45Å; C17-C24 CovalentContact SG-SG 1.98Å; C17-C24 PolarHBondContact SG-SG 3.25Å
25T71.6Confident76.6Confident134 Ų13481.5 Ų81.582%0.82247%0.466SS*.SBendtrans-82-21.417951.10000112.7P23P23-T25 PolarHBondContact O-N 3.07Å
26Q77.1Confident77.3Confident108 Ų10874.9 Ų74.951%0.50544%0.441SS..  trans-137.1134.8-179.9-68.4-177.8-1600110.9L33Q26-L33 HydrophobicContact CB-CD1 3.95Å
27S83.9Confident78.3Confident18 Ų1867.8 Ų67.813%0.12641%0.408CS..  trans-122.7152.4177.21740000110.3E29 D30S27-E29 PolarHBondContact O-N 2.88Å; S27-E29 PolarHBondContact OG-N 3.28Å; S27-D30 PolarHBondContact N-OD2 3.27Å; S27-D30 VanDerWaalsContact O-CB 3.31Å; S27-D30 WeakPolarHBondContact O-CB 3.04Å; S27-D30 PolarHBondContact O-N 2.74Å
28C84.9Confident79.4Confident13 Ų1365.3 Ų65.39%0.08839%0.391CS..THydrogen-bonded Turntrans-63.8-8.1172.6-69.50000114.7W11 T14 C35W11-C28 HydrophobicContact CE3-CB 4.14Å; W11-C28 HydrophobicContact CZ3-CB 3.74Å; T14-C28 HydrophobicContact CG2-CB 4.11Å; C28-C35 VanDerWaalsContact CA-SG 3.54Å; C28-C35 HydrophobicContact CB-CB 3.54Å; C28-C35 WeakPolarHBondContact CB-SG 3.31Å; C28-C35 WeakPolarHBondContact SG-CB 3.35Å; C28-C35 CovalentContact SG-SG 2.03Å; C28-C35 PolarHBondContact SG-SG 3.21Å
29E81.9Confident80.8Confident103 Ų10364.4 Ų64.448%0.48138%0.383SS..THydrogen-bonded Turntrans-78.6-27.7171.5-168.3164.2-164.500111.6R15 S27 K48R15-E29 IonicContact CZ-OE2 3.79Å; R15-E29 IonicContact NE-OE2 3.65Å; S27-E29 PolarHBondContact O-N 2.88Å; S27-E29 PolarHBondContact OG-N 3.28Å; E29-K48 PolarHBondContact O-NZ 2.78Å
30D81.4Confident82.5Confident67 Ų6759.4 Ų59.436%0.35835%0.35SS..SBendtrans-66.7157.2-178.9-59.1-38.9000111.3S27 D32 K48S27-D30 PolarHBondContact N-OD2 3.27Å; S27-D30 VanDerWaalsContact O-CB 3.31Å; S27-D30 WeakPolarHBondContact O-CB 3.04Å; S27-D30 PolarHBondContact O-N 2.74Å; D30-D32 PolarHBondContact O-N 3.17Å; D30-K48 VanDerWaalsContact C-NZ 3.31Å; D30-K48 PolarHBondContact O-NZ 2.03Å
31S82.4Confident84Confident90 Ų9055.8 Ų55.863%0.62933%0.327SS*.THydrogen-bonded Turntrans-69.8-13.8176.845.20000113.8L33 P202S31-L33 VanDerWaalsContact C-N 3.33Å; S31-P202 WeakPolarHBondContact O-CG 3.41Å
32D87.1Confident85.6Confident85 Ų8549.3 Ų49.346%0.45529%0.292SS..THydrogen-bonded Turntrans-85.9-11.3-167.5-55.3-10.1000112.1D30 P202D30-D32 PolarHBondContact O-N 3.17Å; D32-P202 WeakPolarHBondContact O-CD 3.34Å
33L90.3Very high87Confident29 Ų2951 Ų5115%0.15229%0.289CS..  trans-134.7136.5-179.8-62.9174.9000110.6Q26 S31 V199Q26-L33 HydrophobicContact CB-CD1 3.95Å; S31-L33 VanDerWaalsContact C-N 3.33Å; L33-V199 HydrophobicContact CB-CG1 4.31Å; L33-V199 HydrophobicContact CD1-CG1 4.27Å; L33-V199 HydrophobicContact CD2-CG1 4.09Å; L33-V199 HydrophobicContact CG-CG1 4.47Å
34D92.4Very high88.4Confident14 Ų1445.2 Ų45.28%0.07525%0.251CS..EExtended strand (participates in β ladder)trans-101.5115.9166.9-88.6-22.7000109F36 R49 V199 T200D34-F36 HydrophobicContact CB-CE2 3.85Å; D34-F36 HydrophobicContact CB-CZ 4Å; D34-R49 IonicContact OD1-NH2 2.7Å; D34-R49 IonicContact OD2-CZ 3.74Å; D34-R49 IonicContact OD2-NH2 3.93Å; D34-R49 PolarHBondContact OD2-NH2 2.95Å; D34-V199 WeakPolarHBondContact O-CA 3.36Å; D34-T200 WeakPolarHBondContact CB-OG1 3.37Å; D34-T200 PolarHBondContact N-O 2.85Å; D34-T200 PolarHBondContact O-N 2.86Å; D34-T200 PolarHBondContact O-OG1 3.33Å
35C93.8Very high89.6Confident2 Ų244.7 Ų44.71%0.01424%0.243CC..EExtended strand (participates in β ladder)trans-111.4130.9179.9-60.70000111.5W11 C28 L198W11-C35 HydrophobicContact CZ3-CB 4.44Å; C28-C35 VanDerWaalsContact CA-SG 3.54Å; C28-C35 HydrophobicContact CB-CB 3.54Å; C28-C35 WeakPolarHBondContact CB-SG 3.31Å; C28-C35 WeakPolarHBondContact SG-CB 3.35Å; C28-C35 CovalentContact SG-SG 2.03Å; C28-C35 PolarHBondContact SG-SG 3.21Å; C35-L198 CarbonylContact C-O 3.58Å; C35-L198 WeakPolarHBondContact CA-O 3.42Å
36F95.3Very high90.6Very high4 Ų438.7 Ų38.72%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-123.8139.1-179.4-53.8-80.8000110.5D34 I38 I44 I46 E52 L198D34-F36 HydrophobicContact CB-CE2 3.85Å; D34-F36 HydrophobicContact CB-CZ 4Å; F36-I38 HydrophobicContact CB-CG2 3.97Å; F36-I44 HydrophobicContact CD1-CD1 4.17Å; F36-I44 HydrophobicContact CD1-CG1 4.47Å; F36-I44 HydrophobicContact CD1-CG2 3.99Å; F36-I44 HydrophobicContact CE1-CD1 4.41Å; F36-I46 CarbonylContact C-O 3.6Å; F36-I46 VanDerWaalsContact CA-O 3.29Å; F36-I46 WeakPolarHBondContact CA-O 3.48Å; F36-E52 WeakPolarHBondContact CE1-OE2 3.43Å; F36-L198 HydrophobicContact CB-CB 4.25Å; F36-L198 HydrophobicContact CD2-CD2 4.05Å; F36-L198 HydrophobicContact CD2-CG 4.21Å; F36-L198 PolarHBondContact N-O 3.12Å; F36-L198 PolarHBondContact O-N 3.05Å
37V95.6Very high91.4Very high5 Ų533.7 Ų33.73%0.0318%0.183CC..EExtended strand (participates in β ladder)trans-101.9117160.1-177.70000107.3F10 L45 I46 I190 L195 L196F10-V37 HydrophobicContact CD2-CG2 3.87Å; F10-V37 HydrophobicContact CE1-CG2 4.37Å; F10-V37 HydrophobicContact CE2-CG2 3.46Å; F10-V37 VanDerWaalsContact CE2-CG2 3.46Å; F10-V37 HydrophobicContact CG-CG2 4.5Å; F10-V37 HydrophobicContact CZ-CG2 3.74Å; V37-L45 PolarHBondContact O-N 2.79Å; V37-I46 HydrophobicContact CB-CB 3.85Å; V37-I46 HydrophobicContact CB-CD1 4.33Å; V37-I46 HydrophobicContact CB-CG1 4.18Å; V37-I46 HydrophobicContact CG2-CB 3.93Å; V37-I46 HydrophobicContact CG2-CD1 4.07Å; V37-I46 HydrophobicContact CG2-CG1 4.34Å; V37-I46 PolarHBondContact N-O 2.74Å; V37-I46 PolarHBondContact O-N 2.85Å; V37-I190 HydrophobicContact CG1-CD1 4.03Å; V37-L195 HydrophobicContact CG1-CB 4.04Å; V37-L195 HydrophobicContact CG1-CD1 3.99Å; V37-L195 HydrophobicContact CG1-CG 4.48Å; V37-L196 CarbonylContact C-O 3.55Å; V37-L196 WeakPolarHBondContact CA-O 3.48Å
38I96.4Very high91.7Very high0 Ų037.2 Ų37.20%020%0.196CC..EExtended strand (participates in β ladder)trans-113.5147.6-177.567.2-179.6000110.4F36 F43 I44 L57 F74 L195 L196 L198F36-I38 HydrophobicContact CB-CG2 3.97Å; I38-F43 CarbonylContact C-O 3.44Å; I38-F43 VanDerWaalsContact CA-O 3.25Å; I38-F43 WeakPolarHBondContact CA-O 3.44Å; I38-I44 HydrophobicContact CG2-CG1 4.06Å; I38-L57 HydrophobicContact CD1-CD2 4.08Å; I38-F74 HydrophobicContact CD1-CE2 4.15Å; I38-F74 HydrophobicContact CD1-CZ 4.03Å; I38-L195 WeakPolarHBondContact O-CA 2.99Å; I38-L196 HydrophobicContact CD1-CB 4.11Å; I38-L196 HydrophobicContact CD1-CD1 4.08Å; I38-L196 HydrophobicContact CG1-CB 3.6Å; I38-L196 HydrophobicContact CG1-CD1 4.05Å; I38-L196 HydrophobicContact CG1-CG 4.43Å; I38-L196 PolarHBondContact N-O 2.82Å; I38-L196 PolarHBondContact O-N 2.74Å; I38-L198 HydrophobicContact CD1-CB 4.36Å
39D95.6Very high91.9Very high35 Ų3542.5 Ų42.519%0.18721%0.214CC..  trans-78.6168.8174-16210.5000111.6N41 G42 F43 L45 N194 L195D39-N41 PolarHBondContact O-N 3.48Å; D39-G42 PolarHBondContact O-N 3.31Å; D39-F43 PolarHBondContact N-O 2.97Å; D39-L45 HydrophobicContact CB-CD1 4.4Å; D39-L45 HydrophobicContact CB-CG 4.5Å; D39-N194 PolarHBondContact OD1-ND2 3.12Å; D39-L195 HydrophobicContact CB-CD2 4.46Å
40N94.8Very high92.3Very high42 Ų4242.3 Ų42.323%0.22522%0.224CC..THydrogen-bonded Turntrans-62.6-11.8176.666.4-90.2000113.6Y165 N194N40-Y165 WeakPolarHBondContact O-CB 3.38Å; N40-Y165 PolarHBondContact O-N 3.05Å; N40-N194 HydrophobicContact CB-CB 4.39Å; N40-N194 PolarHBondContact N-O 2.93Å; N40-N194 PolarHBondContact OD1-ND2 3.16Å
41N95.1Very high92.8Very high49 Ų4949.6 Ų49.626%0.26225%0.246SC..THydrogen-bonded Turntrans-99.32.1173.9-66.2102.1000113.8D39 F43 F56 F163D39-N41 PolarHBondContact O-N 3.48Å; N41-F43 HydrophobicContact CB-CD2 4.02Å; N41-F43 HydrophobicContact CB-CE2 4.35Å; N41-F56 WeakPolarHBondContact O-CE2 3.38Å; N41-F163 WeakPolarHBondContact CA-O 3.3Å; N41-F163 PolarHBondContact ND2-O 2.93Å
42G94.8Very high93.4Very high0 Ų045.9 Ų45.90%022%0.219CC..SBendtrans80.219.1178.200000114.9D39 F56 L57D39-G42 PolarHBondContact O-N 3.31Å; G42-F56 WeakPolarHBondContact O-CD2 3.37Å; G42-L57 VanDerWaalsContact O-CB 3.3Å; G42-L57 WeakPolarHBondContact O-CB 3.25Å; G42-L57 PolarHBondContact O-N 2.84Å
43F95.9Very high93.7Very high75 Ų7543.8 Ų43.833%0.32921%0.209SC..BIsolated β-bridgetrans-87.1137.5171.1-74.3-82.4000111.4I38 D39 N41 L45 F56I38-F43 CarbonylContact C-O 3.44Å; I38-F43 VanDerWaalsContact CA-O 3.25Å; I38-F43 WeakPolarHBondContact CA-O 3.44Å; D39-F43 PolarHBondContact N-O 2.97Å; N41-F43 HydrophobicContact CB-CD2 4.02Å; N41-F43 HydrophobicContact CB-CE2 4.35Å; F43-L45 PolarHBondContact O-N 3.31Å; F43-F56 HydrophobicContact CD1-CB 4.39Å; F43-F56 HydrophobicContact CE1-CB 4.13Å
44I96.1Very high93.8Very high0 Ų045 Ų450%023%0.229CC..EExtended strand (participates in β ladder)trans-81.2118.1-179.1-59.9167.5000109.5F36 I38 E52 G54 R55 L57 V60F36-I44 HydrophobicContact CD1-CD1 4.17Å; F36-I44 HydrophobicContact CD1-CG1 4.47Å; F36-I44 HydrophobicContact CD1-CG2 3.99Å; F36-I44 HydrophobicContact CE1-CD1 4.41Å; I38-I44 HydrophobicContact CG2-CG1 4.06Å; I44-E52 HydrophobicContact CD1-CB 4.41Å; I44-G54 PolarHBondContact O-N 2.92Å; I44-R55 PolarHBondContact N-O 3.36Å; I44-L57 HydrophobicContact CD1-CD1 4.36Å; I44-V60 HydrophobicContact CD1-CB 4.1Å; I44-V60 HydrophobicContact CD1-CG1 4.4Å; I44-V60 HydrophobicContact CD1-CG2 3.83Å
45L94.5Very high94Very high65 Ų6548.9 Ų48.934%0.3424%0.243SC..EExtended strand (participates in β ladder)trans-94.9-36.3176.5-58.4-177.1000112.4V37 D39 F43 T53 L195V37-L45 PolarHBondContact O-N 2.79Å; D39-L45 HydrophobicContact CB-CD1 4.4Å; D39-L45 HydrophobicContact CB-CG 4.5Å; F43-L45 PolarHBondContact O-N 3.31Å; L45-T53 WeakPolarHBondContact O-CG2 3.42Å; L45-L195 HydrophobicContact CD1-CD1 4.3Å; L45-L195 HydrophobicContact CD1-CD2 3.4Å; L45-L195 VanDerWaalsContact CD1-CD2 3.4Å; L45-L195 HydrophobicContact CD1-CG 4.49Å
46I93.8Very high94.1Very high9 Ų949.3 Ų49.35%0.04624%0.244CC..EExtended strand (participates in β ladder)trans-131.8126.2178.6-59.6-179.6000107.6L6 Q7 F10 W11 F36 V37L6-I46 HydrophobicContact CD2-CD1 4.15Å; Q7-I46 HydrophobicContact CG-CG2 4.12Å; F10-I46 HydrophobicContact CB-CD1 4.15Å; F10-I46 HydrophobicContact CD1-CG2 3.86Å; F10-I46 HydrophobicContact CE1-CG2 4.19Å; F10-I46 HydrophobicContact CG-CD1 4.29Å; F10-I46 HydrophobicContact CG-CG2 4.41Å; W11-I46 HydrophobicContact CZ2-CG2 4.16Å; F36-I46 CarbonylContact C-O 3.6Å; F36-I46 VanDerWaalsContact CA-O 3.29Å; F36-I46 WeakPolarHBondContact CA-O 3.48Å; V37-I46 HydrophobicContact CB-CB 3.85Å; V37-I46 HydrophobicContact CB-CD1 4.33Å; V37-I46 HydrophobicContact CB-CG1 4.18Å; V37-I46 HydrophobicContact CG2-CB 3.93Å; V37-I46 HydrophobicContact CG2-CD1 4.07Å; V37-I46 HydrophobicContact CG2-CG1 4.34Å; V37-I46 PolarHBondContact N-O 2.74Å; V37-I46 PolarHBondContact O-N 2.85Å
47S93.3Very high94.1Very high3 Ų349.1 Ų49.12%0.02124%0.243CC..  trans-137158.5167.3169.80000108.6R49 E52S47-R49 PolarHBondContact O-N 2.91Å; S47-R49 PolarHBondContact OG-N 2.86Å; S47-R49 PolarHBondContact OG-O 2.89Å; S47-E52 PolarHBondContact OG-OE2 2.87Å
48K89.4Confident94Very high92 Ų9248.9 Ų48.940%0.424%0.242SC..SBendtrans-59.3-35.9166.5-170.8172.7-169.6166.10111.7W11 E29 D30W11-K48 HydrophobicContact CH2-CB 4.31Å; E29-K48 PolarHBondContact O-NZ 2.78Å; D30-K48 VanDerWaalsContact C-NZ 3.31Å; D30-K48 PolarHBondContact O-NZ 2.03Å
49R90.5Very high93.9Very high123 Ų12352.6 Ų52.646%0.46426%0.26SS..SBendtrans-99.4119.4-179.3-66.1177-104.1162.3-11110.1D34 S47 R51 E52D34-R49 IonicContact OD1-NH2 2.7Å; D34-R49 IonicContact OD2-CZ 3.74Å; D34-R49 IonicContact OD2-NH2 3.93Å; D34-R49 PolarHBondContact OD2-NH2 2.95Å; S47-R49 PolarHBondContact O-N 2.91Å; S47-R49 PolarHBondContact OG-N 2.86Å; S47-R49 PolarHBondContact OG-O 2.89Å; R49-R51 PolarHBondContact O-N 2.77Å; R49-R51 VanDerWaalsContact O-N 3.15Å; R49-E52 HydrophobicContact CB-CG 4.35Å; R49-E52 VanDerWaalsContact CD-OE1 3.3Å; R49-E52 WeakPolarHBondContact CD-OE1 2.92Å; R49-E52 IonicContact CZ-OE1 3.04Å; R49-E52 IonicContact NE-OE1 3.44Å; R49-E52 PolarHBondContact NE-OE1 2.78Å; R49-E52 VanDerWaalsContact NE-OE1 3.15Å; R49-E52 IonicContact NE-OE2 2.63Å; R49-E52 IonicContact NH1-OE1 3.58Å; R49-E52 PolarHBondContact NH1-OE1 3.48Å; R49-E52 IonicContact NH2-OE1 3.68Å; R49-E52 PolarHBondContact O-N 2.84Å; R49-E52 VanDerWaalsContact O-N 3.16Å
50S88.8Confident93.8Very high99 Ų9953 Ų5369%0.69226%0.263SS*.G310 helixtrans-61.7-26.9-176.457.80000114.2E52 T53S50-E52 PolarHBondContact O-N 3.29Å; S50-T53 PolarHBondContact O-N 2.78Å
51R93.4Very high93.8Very high221 Ų22151.7 Ų51.783%0.83426%0.256SS*.G310 helixtrans-69.8-16.1179.4-65.9-175.5176.9-178.8-0.6114.4R49 R55R49-R51 PolarHBondContact O-N 2.77Å; R49-R51 VanDerWaalsContact O-N 3.15Å; R51-R55 VanDerWaalsContact O-CD 3.25Å; R51-R55 WeakPolarHBondContact O-CD 3.11Å
52E93.4Very high93.7Very high12 Ų1249.7 Ų49.76%0.05625%0.247CC..G310 helixtrans-93.8-18.9-179.7-68.6160.2-169.400112.2F36 I44 S47 R49 S50 G54 R55 V60F36-E52 WeakPolarHBondContact CE1-OE2 3.43Å; I44-E52 HydrophobicContact CD1-CB 4.41Å; S47-E52 PolarHBondContact OG-OE2 2.87Å; R49-E52 HydrophobicContact CB-CG 4.35Å; R49-E52 VanDerWaalsContact CD-OE1 3.3Å; R49-E52 WeakPolarHBondContact CD-OE1 2.92Å; R49-E52 IonicContact CZ-OE1 3.04Å; R49-E52 IonicContact NE-OE1 3.44Å; R49-E52 PolarHBondContact NE-OE1 2.78Å; R49-E52 VanDerWaalsContact NE-OE1 3.15Å; R49-E52 IonicContact NE-OE2 2.63Å; R49-E52 IonicContact NH1-OE1 3.58Å; R49-E52 PolarHBondContact NH1-OE1 3.48Å; R49-E52 IonicContact NH2-OE1 3.68Å; R49-E52 PolarHBondContact O-N 2.84Å; R49-E52 VanDerWaalsContact O-N 3.16Å; S50-E52 PolarHBondContact O-N 3.29Å; E52-G54 PolarHBondContact O-N 3.35Å; E52-R55 WeakPolarHBondContact O-CB 3.29Å; E52-R55 PolarHBondContact O-N 2.84Å; E52-R55 VanDerWaalsContact O-N 3.08Å; E52-V60 HydrophobicContact CB-CG2 4.42Å; E52-V60 HydrophobicContact CG-CG1 3.95Å; E52-V60 HydrophobicContact CG-CG2 4.2Å
53T93.6Very high93.7Very high40 Ų4049.9 Ų49.925%0.24525%0.248CC..THydrogen-bonded Turntrans-64.9129.5178.8-56.90000109.9L3 L45 S50 R55L3-T53 HydrophobicContact CD2-CG2 4.17Å; L45-T53 WeakPolarHBondContact O-CG2 3.42Å; S50-T53 PolarHBondContact O-N 2.78Å; T53-R55 VanDerWaalsContact C-N 3.29Å
54G93.5Very high93.7Very high56 Ų5646.3 Ų46.358%0.57723%0.233SC*.THydrogen-bonded Turntrans83.9-5-17600000114.7I44 E52I44-G54 PolarHBondContact O-N 2.92Å; E52-G54 PolarHBondContact O-N 3.35Å
55R95.4Very high93.6Very high95 Ų9546.3 Ų46.336%0.35823%0.233SC..SBendtrans-86.3158.9174-64.9-177.473.9-168.58.3111.1I44 R51 E52 T53 E59 V60I44-R55 PolarHBondContact N-O 3.36Å; R51-R55 VanDerWaalsContact O-CD 3.25Å; R51-R55 WeakPolarHBondContact O-CD 3.11Å; E52-R55 WeakPolarHBondContact O-CB 3.29Å; E52-R55 PolarHBondContact O-N 2.84Å; E52-R55 VanDerWaalsContact O-N 3.08Å; T53-R55 VanDerWaalsContact C-N 3.29Å; R55-E59 IonicContact CZ-OE1 2.93Å; R55-E59 IonicContact CZ-OE2 2.67Å; R55-E59 IonicContact NE-OE1 3.69Å; R55-E59 PolarHBondContact NE-OE1 3.45Å; R55-E59 IonicContact NE-OE2 3.45Å; R55-E59 PolarHBondContact NE-OE2 3Å; R55-E59 IonicContact NH2-OE1 3.55Å; R55-E59 PolarHBondContact NH2-OE1 3.25Å; R55-E59 IonicContact NH2-OE2 2.94Å; R55-V60 HydrophobicContact CB-CG2 4Å
56F96.4Very high93.6Very high10 Ų1045.7 Ų45.74%0.04423%0.232CC..BIsolated β-bridgetrans-77.2137.8175.1-179.6-122.9000110.4N41 G42 F43 G58 E59 V60 L65 F163 V212 Q214N41-F56 WeakPolarHBondContact O-CE2 3.38Å; G42-F56 WeakPolarHBondContact O-CD2 3.37Å; F43-F56 HydrophobicContact CD1-CB 4.39Å; F43-F56 HydrophobicContact CE1-CB 4.13Å; F56-G58 PolarHBondContact O-N 3.15Å; F56-E59 HydrophobicContact CB-CB 4.49Å; F56-E59 WeakPolarHBondContact O-CB 3.43Å; F56-E59 PolarHBondContact O-N 3.04Å; F56-V60 PolarHBondContact O-N 3.4Å; F56-L65 HydrophobicContact CE1-CD2 3.43Å; F56-L65 VanDerWaalsContact CE1-CD2 3.43Å; F56-L65 HydrophobicContact CE2-CD2 4.38Å; F56-L65 HydrophobicContact CZ-CD2 3.31Å; F56-F163 AromaticContact CE1-CD2 3.79Å; F56-F163 HydrophobicContact CE1-CD2 3.79Å; F56-F163 AromaticContact CE1-CE2 3.66Å; F56-F163 HydrophobicContact CE1-CE2 3.66Å; F56-F163 HydrophobicContact CE1-CZ 4.46Å; F56-F163 HydrophobicContact CE2-CB 4.34Å; F56-F163 AromaticContact CE2-CD2 3.8Å; F56-F163 HydrophobicContact CE2-CD2 3.8Å; F56-F163 HydrophobicContact CE2-CG 4.27Å; F56-F163 HydrophobicContact CZ-CB 4.23Å; F56-F163 AromaticContact CZ-CD2 3.11Å; F56-F163 HydrophobicContact CZ-CD2 3.11Å; F56-F163 AromaticContact CZ-CE2 3.48Å; F56-F163 HydrophobicContact CZ-CE2 3.48Å; F56-F163 VanDerWaalsContact CZ-CE2 3.48Å; F56-F163 AromaticContact CZ-CG 3.69Å; F56-F163 HydrophobicContact CZ-CG 3.69Å; F56-F163 HydrophobicContact CZ-CZ 4.33Å; F56-V212 VanDerWaalsContact CD1-O 3.31Å; F56-V212 WeakPolarHBondContact CD1-O 3.47Å; F56-V212 HydrophobicContact CE1-CG1 4.33Å; F56-V212 VanDerWaalsContact CE1-O 3.32Å; F56-V212 WeakPolarHBondContact CE1-O 3.31Å; F56-Q214 HydrophobicContact CD1-CG 4.03Å; F56-Q214 HydrophobicContact CE1-CG 4.08Å; F56-Q214 HydrophobicContact CG-CG 4.31Å; F56-Q214 VanDerWaalsContact CG-NE2 3.35Å; F56-Q214 HydrophobicContact CZ-CG 4.43Å
57L95.7Very high93.7Very high0 Ų048.3 Ų48.30%024%0.244CC..Hα-helixtrans-55.7-40.5-179.1179.764.3000111.9I38 G42 I44 E59 V60 D61 L65 L68 L198I38-L57 HydrophobicContact CD1-CD2 4.08Å; G42-L57 VanDerWaalsContact O-CB 3.3Å; G42-L57 WeakPolarHBondContact O-CB 3.25Å; G42-L57 PolarHBondContact O-N 2.84Å; I44-L57 HydrophobicContact CD1-CD1 4.36Å; L57-E59 PolarHBondContact O-N 2.63Å; L57-V60 PolarHBondContact O-N 3.45Å; L57-V60 VanDerWaalsContact O-N 3.1Å; L57-D61 HydrophobicContact CD1-CB 4.45Å; L57-D61 CarbonylContact O-C 3.59Å; L57-D61 PolarHBondContact O-N 2.57Å; L57-L65 HydrophobicContact CD2-CD1 4.46Å; L57-L68 HydrophobicContact CD2-CD1 4.21Å; L57-L198 HydrophobicContact CD1-CD2 3.7Å; L57-L198 HydrophobicContact CD2-CD2 3.74Å; L57-L198 HydrophobicContact CG-CD2 4.39Å
58G94.5Very high93.8Very high0 Ų048.1 Ų48.10%024%0.243CC..Hα-helixtrans-64.4-22.8179.200000114.9F56 G62 P211 V212F56-G58 PolarHBondContact O-N 3.15Å; G58-G62 WeakPolarHBondContact O-CA 3.37Å; G58-G62 PolarHBondContact O-N 3.16Å; G58-P211 CarbonylContact O-C 3.57Å; G58-P211 WeakPolarHBondContact O-CA 3.42Å; G58-V212 CarbonylContact C-O 3.56Å; G58-V212 VanDerWaalsContact C-O 3.24Å; G58-V212 WeakPolarHBondContact CA-O 3.45Å; G58-V212 PolarHBondContact O-N 3.18Å
59E94.1Very high94.1Very high79 Ų7945.8 Ų45.837%0.36923%0.234SC..Hα-helixtrans-81.4-29.5175.8-164-167.4174.700111.8R55 F56 L57 L213R55-E59 IonicContact CZ-OE1 2.93Å; R55-E59 IonicContact CZ-OE2 2.67Å; R55-E59 IonicContact NE-OE1 3.69Å; R55-E59 PolarHBondContact NE-OE1 3.45Å; R55-E59 IonicContact NE-OE2 3.45Å; R55-E59 PolarHBondContact NE-OE2 3Å; R55-E59 IonicContact NH2-OE1 3.55Å; R55-E59 PolarHBondContact NH2-OE1 3.25Å; R55-E59 IonicContact NH2-OE2 2.94Å; F56-E59 HydrophobicContact CB-CB 4.49Å; F56-E59 WeakPolarHBondContact O-CB 3.43Å; F56-E59 PolarHBondContact O-N 3.04Å; L57-E59 PolarHBondContact O-N 2.63Å; E59-L213 HydrophobicContact CB-CD2 4.33Å; E59-L213 HydrophobicContact CG-CD2 3.92Å
60V93.6Very high94.3Very high42 Ų4243.9 Ų43.926%0.25524%0.24SC..Hα-helixtrans-89.3-46.9-179.9179.40000111.1I44 E52 R55 F56 L57I44-V60 HydrophobicContact CD1-CB 4.1Å; I44-V60 HydrophobicContact CD1-CG1 4.4Å; I44-V60 HydrophobicContact CD1-CG2 3.83Å; E52-V60 HydrophobicContact CB-CG2 4.42Å; E52-V60 HydrophobicContact CG-CG1 3.95Å; E52-V60 HydrophobicContact CG-CG2 4.2Å; R55-V60 HydrophobicContact CB-CG2 4Å; F56-V60 PolarHBondContact O-N 3.4Å; L57-V60 PolarHBondContact O-N 3.45Å; L57-V60 VanDerWaalsContact O-N 3.1Å
61D93.9Very high94.6Very high16 Ų1642.4 Ų42.49%0.08622%0.223CC..  trans-139.283.4179.7-163.7-27.5000110.7L57 A63 V64 L65 K183L57-D61 HydrophobicContact CD1-CB 4.45Å; L57-D61 CarbonylContact O-C 3.59Å; L57-D61 PolarHBondContact O-N 2.57Å; D61-A63 PolarHBondContact O-N 2.92Å; D61-A63 WeakPolarHBondContact OD1-CB 3.41Å; D61-A63 PolarHBondContact OD1-N 2.76Å; D61-V64 HydrophobicContact CB-CB 4.46Å; D61-V64 PolarHBondContact OD1-N 2.86Å; D61-V64 WeakPolarHBondContact OD2-CG2 3.2Å; D61-L65 PolarHBondContact O-N 2.89Å; D61-K183 WeakPolarHBondContact OD2-CE 3.35Å; D61-K183 IonicContact OD2-NZ 2.99Å; D61-K183 PolarHBondContact OD2-NZ 3.02Å
62G93.8Very high94.6Very high7 Ų732.8 Ų32.87%0.07219%0.193CC..Hα-helixtrans-64.7-27176.700000113.3G58 T66G58-G62 WeakPolarHBondContact O-CA 3.37Å; G58-G62 PolarHBondContact O-N 3.16Å; G62-T66 VanDerWaalsContact O-CB 3.29Å; G62-T66 WeakPolarHBondContact O-CB 3.36Å; G62-T66 PolarHBondContact O-N 3.01Å; G62-T66 PolarHBondContact O-OG1 3.19Å
63A94.4Very high94.7Very high3 Ų332.3 Ų32.33%0.02519%0.19CC..Hα-helixtrans-67.9-49.9-178.700000110.9D61 T66 Q67 V176 C206 F209D61-A63 PolarHBondContact O-N 2.92Å; D61-A63 WeakPolarHBondContact OD1-CB 3.41Å; D61-A63 PolarHBondContact OD1-N 2.76Å; A63-T66 PolarHBondContact O-N 2.95Å; A63-Q67 PolarHBondContact O-N 2.88Å; A63-Q67 VanDerWaalsContact O-N 3.15Å; A63-V176 HydrophobicContact CB-CG1 4.13Å; A63-C206 HydrophobicContact CB-CB 3.63Å; A63-F209 HydrophobicContact CB-CB 3.83Å; A63-F209 HydrophobicContact CB-CD2 3.51Å; A63-F209 HydrophobicContact CB-CE2 4.23Å; A63-F209 HydrophobicContact CB-CG 3.73Å
64V95Very high94.8Very high0 Ų030.5 Ų30.50%018%0.179CC..Hα-helixtrans-64.7-44.7177.4173.70000111D61 T66 Q67 L68 F185 L198 T200D61-V64 HydrophobicContact CB-CB 4.46Å; D61-V64 PolarHBondContact OD1-N 2.86Å; D61-V64 WeakPolarHBondContact OD2-CG2 3.2Å; V64-T66 VanDerWaalsContact C-N 3.35Å; V64-T66 PolarHBondContact O-N 2.83Å; V64-Q67 PolarHBondContact O-N 3.01Å; V64-L68 HydrophobicContact CG1-CD1 3.9Å; V64-L68 HydrophobicContact CG1-CG 4.26Å; V64-L68 VanDerWaalsContact O-CG 3.32Å; V64-L68 WeakPolarHBondContact O-CG 3.3Å; V64-L68 PolarHBondContact O-N 3.18Å; V64-F185 HydrophobicContact CG1-CB 4.44Å; V64-F185 HydrophobicContact CG1-CD2 4.32Å; V64-F185 HydrophobicContact CG1-CG 4.2Å; V64-F185 HydrophobicContact CG2-CB 4.49Å; V64-L198 HydrophobicContact CG1-CD1 3.95Å; V64-L198 HydrophobicContact CG1-CD2 4.1Å; V64-T200 HydrophobicContact CG1-CG2 4.49Å; V64-T200 HydrophobicContact CG2-CG2 3.98Å
65L95.2Very high94.9Very high0 Ų029.4 Ų29.40%016%0.163CC..Hα-helixtrans-63.1-40.8179.2-177.667.1000112.2F56 L57 D61 Q67 L68 L69 F74 V212F56-L65 HydrophobicContact CE1-CD2 3.43Å; F56-L65 VanDerWaalsContact CE1-CD2 3.43Å; F56-L65 HydrophobicContact CE2-CD2 4.38Å; F56-L65 HydrophobicContact CZ-CD2 3.31Å; L57-L65 HydrophobicContact CD2-CD1 4.46Å; D61-L65 PolarHBondContact O-N 2.89Å; L65-Q67 VanDerWaalsContact C-N 3.26Å; L65-Q67 PolarHBondContact O-N 2.85Å; L65-L68 PolarHBondContact O-N 3.09Å; L65-L69 HydrophobicContact CG-CD1 4.34Å; L65-L69 WeakPolarHBondContact O-CG 3.39Å; L65-L69 PolarHBondContact O-N 3Å; L65-F74 HydrophobicContact CD1-CD2 4.31Å; L65-F74 HydrophobicContact CD1-CG 4.39Å; L65-V212 HydrophobicContact CD2-CB 3.86Å; L65-V212 HydrophobicContact CD2-CG1 3.84Å; L65-V212 HydrophobicContact CD2-CG2 4.35Å
66T94.8Very high94.9Very high53 Ų5330.4 Ų30.433%0.32517%0.172SC..Hα-helixtrans-60.1-40.1176.9-59.30000111.2G62 A63 V64 L69 S70G62-T66 VanDerWaalsContact O-CB 3.29Å; G62-T66 WeakPolarHBondContact O-CB 3.36Å; G62-T66 PolarHBondContact O-N 3.01Å; G62-T66 PolarHBondContact O-OG1 3.19Å; A63-T66 PolarHBondContact O-N 2.95Å; V64-T66 VanDerWaalsContact C-N 3.35Å; V64-T66 PolarHBondContact O-N 2.83Å; T66-L69 WeakPolarHBondContact O-CB 3.17Å; T66-L69 PolarHBondContact O-N 2.87Å; T66-S70 PolarHBondContact O-N 3.33Å
67Q95.2Very high94.8Very high63 Ų6333.2 Ų33.229%0.29419%0.189SC..Hα-helixtrans-70.4-37.7175.6-170.864.12.500112.6A63 V64 L65 L69 S70 M71 V176 F185A63-Q67 PolarHBondContact O-N 2.88Å; A63-Q67 VanDerWaalsContact O-N 3.15Å; V64-Q67 PolarHBondContact O-N 3.01Å; L65-Q67 VanDerWaalsContact C-N 3.26Å; L65-Q67 PolarHBondContact O-N 2.85Å; Q67-L69 VanDerWaalsContact C-N 3.26Å; Q67-L69 PolarHBondContact O-N 2.84Å; Q67-S70 PolarHBondContact O-N 2.69Å; Q67-S70 PolarHBondContact O-OG 3.15Å; Q67-S70 PolarHBondContact OE1-OG 2.7Å; Q67-S70 VanDerWaalsContact OE1-OG 3.06Å; Q67-M71 HydrophobicContact CG-SD 4.12Å; Q67-M71 WeakPolarHBondContact O-CB 3.48Å; Q67-M71 VanDerWaalsContact O-CG 3.26Å; Q67-M71 WeakPolarHBondContact O-CG 3.4Å; Q67-M71 PolarHBondContact O-N 3.04Å; Q67-V176 HydrophobicContact CB-CG2 3.92Å; Q67-V176 HydrophobicContact CG-CG2 4.14Å; Q67-F185 HydrophobicContact CB-CE1 4.14Å; Q67-F185 HydrophobicContact CB-CZ 4.18Å; Q67-F185 HydrophobicContact CG-CE1 3.65Å; Q67-F185 HydrophobicContact CG-CZ 3.63Å
68L95.6Very high94.7Very high0 Ų036.8 Ų36.80%021%0.211CC..Hα-helixtrans-64.9-31.6174.6-69.8171.5000112.5L57 V64 L65 G72 V73 F74 F185 V187L57-L68 HydrophobicContact CD2-CD1 4.21Å; V64-L68 HydrophobicContact CG1-CD1 3.9Å; V64-L68 HydrophobicContact CG1-CG 4.26Å; V64-L68 VanDerWaalsContact O-CG 3.32Å; V64-L68 WeakPolarHBondContact O-CG 3.3Å; V64-L68 PolarHBondContact O-N 3.18Å; L65-L68 PolarHBondContact O-N 3.09Å; L68-G72 PolarHBondContact O-N 2.92Å; L68-V73 HydrophobicContact CB-CB 4.31Å; L68-V73 HydrophobicContact CD2-CB 3.99Å; L68-V73 HydrophobicContact CD2-CG1 4.06Å; L68-V73 HydrophobicContact CD2-CG2 4.02Å; L68-V73 PolarHBondContact O-N 2.94Å; L68-F74 HydrophobicContact CB-CD2 4Å; L68-F74 HydrophobicContact CD1-CD2 4.12Å; L68-F74 HydrophobicContact CD1-CE2 4.09Å; L68-F74 PolarHBondContact O-N 2.83Å; L68-F185 HydrophobicContact CD2-CD2 4.3Å; L68-F185 HydrophobicContact CD2-CE2 3.63Å; L68-F185 HydrophobicContact CD2-CZ 4.41Å; L68-F185 HydrophobicContact CG-CE2 4.25Å; L68-V187 HydrophobicContact CD2-CB 4.41Å
69L95.3Very high94.8Very high43 Ų4341 Ų4123%0.22523%0.232CC..Hα-helixtrans-68.9-43.6171.4-70.7168.4000111.6L65 T66 Q67 M71 G72 F74 Q76 F163L65-L69 HydrophobicContact CG-CD1 4.34Å; L65-L69 WeakPolarHBondContact O-CG 3.39Å; L65-L69 PolarHBondContact O-N 3Å; T66-L69 WeakPolarHBondContact O-CB 3.17Å; T66-L69 PolarHBondContact O-N 2.87Å; Q67-L69 VanDerWaalsContact C-N 3.26Å; Q67-L69 PolarHBondContact O-N 2.84Å; L69-M71 VanDerWaalsContact C-N 3.28Å; L69-M71 PolarHBondContact O-N 2.68Å; L69-G72 PolarHBondContact O-N 3.08Å; L69-G72 VanDerWaalsContact O-N 3.08Å; L69-F74 HydrophobicContact CD2-CB 3.87Å; L69-Q76 HydrophobicContact CD2-CB 4.29Å; L69-F163 HydrophobicContact CD1-CD1 4.44Å; L69-F163 HydrophobicContact CD1-CE1 3.81Å; L69-F163 HydrophobicContact CD2-CD1 3.84Å; L69-F163 HydrophobicContact CD2-CE1 3.93Å; L69-F163 HydrophobicContact CG-CE1 4.44Å
70S94.5Very high94.7Very high83 Ų8342.1 Ų42.158%0.5823%0.234SC*.Hα-helixtrans-64.8-33.9178.976.60000112.2T66 Q67 G72T66-S70 PolarHBondContact O-N 3.33Å; Q67-S70 PolarHBondContact O-N 2.69Å; Q67-S70 PolarHBondContact O-OG 3.15Å; Q67-S70 PolarHBondContact OE1-OG 2.7Å; Q67-S70 VanDerWaalsContact OE1-OG 3.06Å; S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 2.93Å
71M94.6Very high94.8Very high67 Ų6743.1 Ų43.133%0.3324%0.238SC..THydrogen-bonded Turntrans-78.3-8.4174.7-66.4175.371.200113.9Q67 L69 V73 A172 N173 F185Q67-M71 HydrophobicContact CG-SD 4.12Å; Q67-M71 WeakPolarHBondContact O-CB 3.48Å; Q67-M71 VanDerWaalsContact O-CG 3.26Å; Q67-M71 WeakPolarHBondContact O-CG 3.4Å; Q67-M71 PolarHBondContact O-N 3.04Å; L69-M71 VanDerWaalsContact C-N 3.28Å; L69-M71 PolarHBondContact O-N 2.68Å; M71-V73 VanDerWaalsContact C-N 3.26Å; M71-V73 HydrophobicContact CB-CG2 4.04Å; M71-V73 PolarHBondContact O-N 3.48Å; M71-A172 HydrophobicContact CE-CB 3.88Å; M71-N173 WeakPolarHBondContact CE-O 3.44Å; M71-F185 HydrophobicContact SD-CE2 4.23Å; M71-F185 HydrophobicContact SD-CZ 3.71Å
72G94.3Very high94.8Very high20 Ų2047.5 Ų47.521%0.20625%0.253CS..THydrogen-bonded Turntrans74.19.7-177.100000114.9L68 L69 S70 F74 Q166L68-G72 PolarHBondContact O-N 2.92Å; L69-G72 PolarHBondContact O-N 3.08Å; L69-G72 VanDerWaalsContact O-N 3.08Å; S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 2.93Å; G72-F74 VanDerWaalsContact C-N 3.3Å; G72-Q166 PolarHBondContact O-NE2 3.39Å; G72-Q166 PolarHBondContact O-OE1 3.49Å
73V95.1Very high94.8Very high1 Ų155.4 Ų55.41%0.00629%0.289CS..SBendtrans-64-41.6175.1-179.80000110.2L68 M71 Y165 Q166 I169 A172 V187L68-V73 HydrophobicContact CB-CB 4.31Å; L68-V73 HydrophobicContact CD2-CB 3.99Å; L68-V73 HydrophobicContact CD2-CG1 4.06Å; L68-V73 HydrophobicContact CD2-CG2 4.02Å; L68-V73 PolarHBondContact O-N 2.94Å; M71-V73 VanDerWaalsContact C-N 3.26Å; M71-V73 HydrophobicContact CB-CG2 4.04Å; M71-V73 PolarHBondContact O-N 3.48Å; V73-Y165 HydrophobicContact CG1-CD2 3.9Å; V73-Y165 HydrophobicContact CG1-CE2 3.88Å; V73-Y165 VanDerWaalsContact O-CD2 3.31Å; V73-Y165 WeakPolarHBondContact O-CD2 3.49Å; V73-Q166 PolarHBondContact O-N 3.38Å; V73-I169 HydrophobicContact CG2-CD1 4.32Å; V73-I169 HydrophobicContact CG2-CG2 4.13Å; V73-A172 HydrophobicContact CG2-CB 3.61Å; V73-V187 HydrophobicContact CG1-CG1 4.1Å
74F95.8Very high94.8Very high3 Ų356 Ų561%0.01329%0.293CS..EExtended strand (participates in β ladder)trans-108.8146.7168.6-79.9-87.7000110.3I38 L65 L68 L69 G72 F163 L196I38-F74 HydrophobicContact CD1-CE2 4.15Å; I38-F74 HydrophobicContact CD1-CZ 4.03Å; L65-F74 HydrophobicContact CD1-CD2 4.31Å; L65-F74 HydrophobicContact CD1-CG 4.39Å; L68-F74 HydrophobicContact CB-CD2 4Å; L68-F74 HydrophobicContact CD1-CD2 4.12Å; L68-F74 HydrophobicContact CD1-CE2 4.09Å; L68-F74 PolarHBondContact O-N 2.83Å; L69-F74 HydrophobicContact CD2-CB 3.87Å; G72-F74 VanDerWaalsContact C-N 3.3Å; F74-F163 HydrophobicContact CD1-CB 4.25Å; F74-L196 HydrophobicContact CE2-CD1 4.2Å; F74-L196 HydrophobicContact CZ-CD1 3.76Å
75S95.6Very high94.6Very high33 Ų3361.9 Ų61.923%0.23132%0.322CS..EExtended strand (participates in β ladder)trans-111.5136.1167.7500000110.3F163 V164S75-F163 WeakPolarHBondContact O-CA 3.18Å; S75-V164 PolarHBondContact N-O 3.13Å; S75-V164 PolarHBondContact O-N 3.14Å; S75-V164 PolarHBondContact OG-O 2.94Å
76Q95.4Very high94.4Very high116 Ų11662.7 Ų62.754%0.54233%0.328SS..EExtended strand (participates in β ladder)trans-89.4125170.2-176.7-179-10.600109.2L69 P161 F163L69-Q76 HydrophobicContact CD2-CB 4.29Å; Q76-P161 HydrophobicContact CG-CB 4.06Å; Q76-F163 HydrophobicContact CB-CD1 4.19Å; Q76-F163 HydrophobicContact CB-CE1 3.88Å; Q76-F163 HydrophobicContact CG-CD1 4.47Å; Q76-F163 HydrophobicContact CG-CE1 3.88Å; Q76-F163 HydrophobicContact CG-CZ 4.3Å
77V94.5Very high94.2Very high68 Ų6866.8 Ų66.841%0.41234%0.341SS..EExtended strand (participates in β ladder)trans-122126.8176.1-178.30000108.2V162V77-V162 PolarHBondContact N-O 3.27Å; V77-V162 PolarHBondContact O-N 3.07Å
78T94.5Very high93.5Very high75 Ų7566 Ų6646%0.4634%0.341SS..EExtended strand (participates in β ladder)trans-81.6123.117549.60000110.1
79M94.8Very high92.5Very high90 Ų9068.8 Ų68.844%0.44336%0.361SS..EExtended strand (participates in β ladder)trans-102.3141.7175.1-73-73.5-83.700109.6E159 Y160 V162M79-E159 CarbonylContact O-C 3.57Å; M79-E159 VanDerWaalsContact O-CA 3.25Å; M79-E159 WeakPolarHBondContact O-CA 3.25Å; M79-Y160 HydrophobicContact CB-CD1 4.45Å; M79-Y160 HydrophobicContact CB-CD2 4.24Å; M79-Y160 HydrophobicContact CB-CE1 4.02Å; M79-Y160 HydrophobicContact CB-CE2 3.79Å; M79-Y160 HydrophobicContact CG-CE2 4.41Å; M79-Y160 PolarHBondContact N-O 3.2Å; M79-Y160 PolarHBondContact O-N 3.29Å; M79-V162 HydrophobicContact CB-CG2 4.01Å; M79-V162 HydrophobicContact CG-CB 4.11Å; M79-V162 HydrophobicContact CG-CG2 3.55Å
80Y93.4Very high90.9Very high102 Ų10271.1 Ų71.140%0.438%0.381SS..EExtended strand (participates in β ladder)trans-114127.4179.1-69.6-85000110.1T158 E159 V219Y80-T158 CarbonylContact C-O 3.5Å; Y80-T158 WeakPolarHBondContact CA-O 3.13Å; Y80-E159 HydrophobicContact CD1-CB 3.8Å; Y80-E159 HydrophobicContact CE1-CB 3.63Å; Y80-E159 HydrophobicContact CE1-CG 4.45Å; Y80-E159 WeakPolarHBondContact CE1-OE2 3.25Å; Y80-E159 VanDerWaalsContact CZ-OE2 3.27Å; Y80-E159 PolarHBondContact OH-OE2 3.42Å; Y80-V219 HydrophobicContact CD1-CG2 4.15Å; Y80-V219 HydrophobicContact CE1-CG2 4.08Å
81D96Very high89Confident63 Ų6373.9 Ų73.934%0.33738%0.384SS..EExtended strand (participates in β ladder)trans-108.2110.6169.9-176.91.4000109.5Q83 A84 D157 T158 Y160D81-Q83 VanDerWaalsContact C-N 3.3Å; D81-Q83 PolarHBondContact OD1-N 2.9Å; D81-A84 HydrophobicContact CB-CB 4.46Å; D81-A84 PolarHBondContact OD1-N 3.01Å; D81-D157 CarbonylContact O-C 3.6Å; D81-D157 WeakPolarHBondContact O-CA 3.4Å; D81-T158 PolarHBondContact N-O 3.43Å; D81-T158 PolarHBondContact O-N 3.03Å; D81-Y160 HydrophobicContact CB-CE1 4.38Å
82Y92.6Very high86.8Confident107 Ų10778.2 Ų78.242%0.4240%0.404SS..EExtended strand (participates in β ladder)trans-884.8179.9-65.4-74.6000113.2D157 Y221 R229Y82-D157 WeakPolarHBondContact CA-OD1 2.94Å; Y82-D157 HydrophobicContact CD1-CB 4.21Å; Y82-D157 VanDerWaalsContact CD1-CG 3.47Å; Y82-D157 WeakPolarHBondContact CD1-OD2 3.44Å; Y82-Y221 WeakPolarHBondContact CE1-OH 3.3Å; Y82-R229 PolarHBondContact OH-NH1 2.97Å
83Q94.4Very high84.7Confident174 Ų17485.2 Ų85.281%0.81343%0.43SS*.EExtended strand (participates in β ladder)trans-125.915.9-176.4-60.9-172.9-43.700112.1D81D81-Q83 VanDerWaalsContact C-N 3.3Å; D81-Q83 PolarHBondContact OD1-N 2.9Å
84A93.9Very high82.6Confident14 Ų1490 Ų9012%0.11646%0.464CS..EExtended strand (participates in β ladder)trans-70.2159.8179.700000111.9D81 P155 C156 T158D81-A84 HydrophobicContact CB-CB 4.46Å; D81-A84 PolarHBondContact OD1-N 3.01Å; A84-P155 WeakPolarHBondContact O-CA 3.13Å; A84-C156 PolarHBondContact N-O 3.22Å; A84-C156 PolarHBondContact O-N 2.85Å; A84-T158 HydrophobicContact CB-CG2 3.62Å; A84-T158 WeakPolarHBondContact CB-OG1 3.04Å
85M92.1Very high80.6Confident125 Ų12594.8 Ų94.862%0.61650%0.504SS*.EExtended strand (participates in β ladder)trans-116.2112.2174.7-61.1-166.587.700109.7L153 Q154M85-L153 HydrophobicContact CB-CB 4.25Å; M85-L153 HydrophobicContact CB-CD1 4.41Å; M85-L153 HydrophobicContact CE-CB 4.06Å; M85-Q154 CarbonylContact C-O 3.58Å; M85-Q154 WeakPolarHBondContact CA-O 3.45Å
86C90.6Very high78.8Confident17 Ų1796.8 Ų96.812%0.11552%0.522CS..EExtended strand (participates in β ladder)trans-102.5152.1-179.6-64.60000110.7Q154 C156C86-Q154 PolarHBondContact N-O 2.82Å; C86-Q154 PolarHBondContact O-N 3.13Å; C86-C156 VanDerWaalsContact CA-SG 3.55Å; C86-C156 HydrophobicContact CB-CB 3.56Å; C86-C156 WeakPolarHBondContact CB-SG 3.17Å; C86-C156 PolarHBondContact N-SG 3.29Å; C86-C156 WeakPolarHBondContact SG-CB 3.41Å; C86-C156 CovalentContact SG-SG 2.01Å; C86-C156 PolarHBondContact SG-SG 3.14Å
87K89.4Confident77Confident138 Ų13899.2 Ų99.260%0.653%0.534SS*.PPolyproline II helixtrans-71.4127.3163.7-65.7-175.8-179.5-168.90107.7S89 D151 L153K87-S89 PolarHBondContact O-N 3.36Å; K87-D151 IonicContact NZ-OD2 3.88Å; K87-L153 HydrophobicContact CG-CD2 3.69Å
88P81.1Confident75.4Confident46 Ų46101.3 Ų101.330%0.29955%0.549SS..PPolyproline II helixtrans-58.6131.5175.723.3-31.2000108.2S90 P152 Q154P88-S90 PolarHBondContact O-N 3.24Å; P88-S90 VanDerWaalsContact O-N 3.14Å; P88-P152 WeakPolarHBondContact CD-O 3.36Å; P88-P152 HydrophobicContact CG-CG 4.35Å; P88-P152 WeakPolarHBondContact CG-O 3.17Å; P88-Q154 HydrophobicContact CB-CG 4.4Å
89S74.4Confident73.9Confident60 Ų60106.1 Ų106.142%0.4257%0.571SS.*PPolyproline II helixtrans-54.3125.316856.60000107.5K87 H91K87-S89 PolarHBondContact O-N 3.36Å; S89-H91 PolarHBondContact O-N 3.1Å; S89-H91 PolarHBondContact OG-CD2 3.39Å
90S62.8Low72.4Confident92 Ų92106.5 Ų106.564%0.64358%0.578SS**  trans-66.976-18057.50000110.2P88 H92P88-S90 PolarHBondContact O-N 3.24Å; P88-S90 VanDerWaalsContact O-N 3.14Å; S90-H92 PolarHBondContact O-N 2.75Å
91H54.3Low71.4Confident140 Ų140104.4 Ų104.465%0.64858%0.578SS**  trans-69.892.3156.5-72.7-65.2000105.2S89 H93S89-H91 PolarHBondContact O-N 3.1Å; S89-H91 PolarHBondContact OG-CD2 3.39Å; H91-H93 PolarHBondContact O-N 2.63Å
92H47.8Very low70.2Confident159 Ų159106.8 Ų106.874%0.73660%0.597SS**  trans-62.482.7165.6-64.4-65.3000107.5S90 S94S90-H92 PolarHBondContact O-N 2.75Å; H92-S94 VanDerWaalsContact C-N 3.29Å; H92-S94 PolarHBondContact O-N 3.24Å
93H51.4Low69.4Low166 Ų166107.3 Ų107.377%0.76961%0.606SS**  trans-65.4104.3152.9-64.1-69.5000104.3H91 A95H91-H93 PolarHBondContact O-N 2.63Å; H93-A95 PolarHBondContact O-N 3.04Å
94S50.1Low68.4Low102 Ų102100.9 Ų100.971%0.71358%0.58SS**  trans-50.9105.1172.5-66.90000107.8H92 A96H92-S94 VanDerWaalsContact C-N 3.29Å; H92-S94 PolarHBondContact O-N 3.24Å; S94-A96 PolarHBondContact O-N 3.35Å
95A54.3Low67.7Low103 Ų103102.7 Ų102.785%0.85160%0.595SS**  trans-71.313165.400000111.2H93 Q97H93-A95 PolarHBondContact O-N 3.04Å; A95-Q97 PolarHBondContact O-N 3.44Å
96A57.3Low67.2Low75 Ų75103.4 Ų103.462%0.6260%0.595SS**  trans-60.4109.2165.700000106.6S94S94-A96 PolarHBondContact O-N 3.35Å
97Q58.4Low66.8Low167 Ų167107.6 Ų107.678%0.7862%0.616SS**  trans-52.7131.8165.8-66.9-178.1-31.500106.8A95 L99A95-Q97 PolarHBondContact O-N 3.44Å; Q97-L99 PolarHBondContact O-N 2.67Å
98P60.3Low66.4Low112 Ų112105.7 Ų105.773%0.72762%0.616SS**  trans-53.2134.2174.423.2-31.7000107.4V100P98-V100 PolarHBondContact O-N 2.94Å
99L61.9Low66.6Low177 Ų177105.8 Ų105.893%0.92762%0.621SS**  trans-52.4104.9177.7-73.8159.2000107.6Q97 S101Q97-L99 PolarHBondContact O-N 2.67Å; L99-S101 PolarHBondContact O-N 2.93Å; L99-S101 VanDerWaalsContact O-N 3.15Å
100V63.8Low66.9Low97 Ų97105 Ų10559%0.58861%0.613SS**  trans-55.7121.9176.9174.10000105.7P98 S104 A105P98-V100 PolarHBondContact O-N 2.94Å; V100-S104 WeakPolarHBondContact CG1-OG 3.32Å; V100-A105 HydrophobicContact CG1-CB 4.5Å
101S72Confident68Low58 Ų58109.3 Ų109.341%0.40662%0.616SS.*  trans-56.8140.2-175.275.90000108.8L99 I103 S104 A105L99-S101 PolarHBondContact O-N 2.93Å; L99-S101 VanDerWaalsContact O-N 3.15Å; S101-I103 PolarHBondContact O-N 3.08Å; S101-S104 PolarHBondContact N-OG 2.96Å; S101-S104 PolarHBondContact O-N 3.49Å; S101-S104 PolarHBondContact O-OG 2.81Å; S101-S104 PolarHBondContact OG-N 3.29Å; S101-S104 PolarHBondContact OG-OG 2.84Å; S101-S104 VanDerWaalsContact OG-OG 3.13Å; S101-A105 PolarHBondContact O-N 3.4Å; S101-A105 VanDerWaalsContact O-N 3.17Å
102P71.4Confident69.7Low113 Ų113109.9 Ų109.973%0.73461%0.612SS**Hα-helixtrans-54.8-27.9-178.518.7-30.6000112.2F106P102-F106 WeakPolarHBondContact O-CB 3.33Å; P102-F106 PolarHBondContact O-N 3.06Å
103I74.9Confident71.7Confident119 Ų119107.5 Ų107.561%0.6160%0.604SS**Hα-helixtrans-67.8-43.3175.3-59.2171.9000111.6S101 F106 L107S101-I103 PolarHBondContact O-N 3.08Å; I103-F106 WeakPolarHBondContact O-CB 3.49Å; I103-F106 PolarHBondContact O-N 3.21Å; I103-L107 HydrophobicContact CG2-CD1 4.15Å; I103-L107 HydrophobicContact CG2-CG 4.46Å; I103-L107 WeakPolarHBondContact O-CG 3.46Å; I103-L107 PolarHBondContact O-N 3.4Å
104S74.8Confident73.3Confident39 Ų39104.8 Ų104.827%0.27360%0.595SS.*Hα-helixtrans-70.6-33.5178.5600000113.2V100 S101 L107 T108V100-S104 WeakPolarHBondContact CG1-OG 3.32Å; S101-S104 PolarHBondContact N-OG 2.96Å; S101-S104 PolarHBondContact O-N 3.49Å; S101-S104 PolarHBondContact O-OG 2.81Å; S101-S104 PolarHBondContact OG-N 3.29Å; S101-S104 PolarHBondContact OG-OG 2.84Å; S101-S104 VanDerWaalsContact OG-OG 3.13Å; S104-L107 PolarHBondContact O-N 2.92Å; S104-T108 WeakPolarHBondContact O-CB 3.32Å; S104-T108 PolarHBondContact O-N 2.88Å; S104-T108 PolarHBondContact O-OG1 3.15Å
105A78.4Confident75Confident52 Ų52105.3 Ų105.343%0.4359%0.586SS.*Hα-helixtrans-63.2-44.1170.200000111V100 S101 T108 A109V100-A105 HydrophobicContact CG1-CB 4.5Å; S101-A105 PolarHBondContact O-N 3.4Å; S101-A105 VanDerWaalsContact O-N 3.17Å; A105-T108 PolarHBondContact O-N 3.38Å; A105-A109 WeakPolarHBondContact O-CB 3.49Å; A105-A109 PolarHBondContact O-N 2.78Å
106F81.2Confident76.5Confident140 Ų140104.4 Ų104.461%0.61456%0.564SS**Hα-helixtrans-61.8-46.2174.7-175.9-98.7000112.2P102 I103 T108 A109 T110P102-F106 WeakPolarHBondContact O-CB 3.33Å; P102-F106 PolarHBondContact O-N 3.06Å; I103-F106 WeakPolarHBondContact O-CB 3.49Å; I103-F106 PolarHBondContact O-N 3.21Å; F106-T108 VanDerWaalsContact C-N 3.31Å; F106-T108 PolarHBondContact O-N 3.21Å; F106-A109 PolarHBondContact O-N 2.79Å; F106-T110 HydrophobicContact CD1-CG2 3.99Å; F106-T110 HydrophobicContact CE1-CG2 3.59Å; F106-T110 HydrophobicContact CE2-CG2 4.25Å; F106-T110 HydrophobicContact CG-CG2 4.47Å; F106-T110 HydrophobicContact CZ-CG2 3.74Å; F106-T110 WeakPolarHBondContact O-CG2 3.33Å; F106-T110 PolarHBondContact O-N 3.03Å; F106-T110 PolarHBondContact O-OG1 3.37Å
107L83.1Confident77.6Confident104 Ų104105.4 Ų105.455%0.54556%0.558SS.*Hα-helixtrans-63.5-35.1177.6-72.5173.1000113.2I103 S104 T110 R111I103-L107 HydrophobicContact CG2-CD1 4.15Å; I103-L107 HydrophobicContact CG2-CG 4.46Å; I103-L107 WeakPolarHBondContact O-CG 3.46Å; I103-L107 PolarHBondContact O-N 3.4Å; S104-L107 PolarHBondContact O-N 2.92Å; L107-T110 WeakPolarHBondContact CA-OG1 3.47Å; L107-T110 PolarHBondContact O-OG1 3.17Å; L107-R111 VanDerWaalsContact O-CB 3.26Å; L107-R111 WeakPolarHBondContact O-CB 3.1Å; L107-R111 PolarHBondContact O-N 2.91Å
108T80.7Confident78.8Confident98 Ų98101.2 Ų101.260%0.60154%0.544SS*.Hα-helixtrans-70.1-40.9176.1-50.80000110.4S104 A105 F106 R111 W112S104-T108 WeakPolarHBondContact O-CB 3.32Å; S104-T108 PolarHBondContact O-N 2.88Å; S104-T108 PolarHBondContact O-OG1 3.15Å; A105-T108 PolarHBondContact O-N 3.38Å; F106-T108 VanDerWaalsContact C-N 3.31Å; F106-T108 PolarHBondContact O-N 3.21Å; T108-R111 PolarHBondContact O-N 2.68Å; T108-W112 WeakPolarHBondContact O-CB 3.31Å; T108-W112 PolarHBondContact O-N 3.38Å
109A86.4Confident79.7Confident48 Ų4899.6 Ų99.640%0.39753%0.529SS..Hα-helixtrans-65.8-41.5175.600000112.3A105 F106 W112 L113A105-A109 WeakPolarHBondContact O-CB 3.49Å; A105-A109 PolarHBondContact O-N 2.78Å; F106-A109 PolarHBondContact O-N 2.79Å; A109-W112 PolarHBondContact O-N 3.02Å; A109-L113 WeakPolarHBondContact O-CB 3.26Å; A109-L113 PolarHBondContact O-N 2.88Å
110T80.1Confident80.5Confident44 Ų4496.2 Ų96.227%0.2751%0.507SS..Hα-helixtrans-67.9-38.2175.957.40000111.8F106 L107 L113 L114F106-T110 HydrophobicContact CD1-CG2 3.99Å; F106-T110 HydrophobicContact CE1-CG2 3.59Å; F106-T110 HydrophobicContact CE2-CG2 4.25Å; F106-T110 HydrophobicContact CG-CG2 4.47Å; F106-T110 HydrophobicContact CZ-CG2 3.74Å; F106-T110 WeakPolarHBondContact O-CG2 3.33Å; F106-T110 PolarHBondContact O-N 3.03Å; F106-T110 PolarHBondContact O-OG1 3.37Å; L107-T110 WeakPolarHBondContact CA-OG1 3.47Å; L107-T110 PolarHBondContact O-OG1 3.17Å; T110-L113 PolarHBondContact O-N 3.48Å; T110-L114 WeakPolarHBondContact O-CB 3.35Å; T110-L114 WeakPolarHBondContact O-CG 3.36Å; T110-L114 PolarHBondContact O-N 3.5Å
111R85.5Confident80.9Confident183 Ų18396.4 Ų96.469%0.69150%0.504SS*.Hα-helixtrans-63.3-43173.3-175.4176.7178.8168.51.1111.7L107 T108 L114 Q115L107-R111 VanDerWaalsContact O-CB 3.26Å; L107-R111 WeakPolarHBondContact O-CB 3.1Å; L107-R111 PolarHBondContact O-N 2.91Å; T108-R111 PolarHBondContact O-N 2.68Å; R111-L114 PolarHBondContact O-N 2.97Å; R111-Q115 WeakPolarHBondContact O-CB 3.33Å; R111-Q115 PolarHBondContact O-N 3.43Å
112W89.3Confident80.9Confident152 Ų15298.2 Ų98.258%0.57651%0.509SS*.Hα-helixtrans-60.5-48.4173.3173.471.8000111.2T108 A109 L114 Q115 E116T108-W112 WeakPolarHBondContact O-CB 3.31Å; T108-W112 PolarHBondContact O-N 3.38Å; A109-W112 PolarHBondContact O-N 3.02Å; W112-L114 VanDerWaalsContact C-N 3.33Å; W112-L114 PolarHBondContact O-N 3.43Å; W112-Q115 WeakPolarHBondContact O-CA 3.39Å; W112-Q115 WeakPolarHBondContact O-CB 3.48Å; W112-Q115 PolarHBondContact O-N 2.95Å; W112-E116 HydrophobicContact CD2-CG 4.09Å; W112-E116 HydrophobicContact CG-CG 4.5Å; W112-E116 HydrophobicContact CH2-CG 4.35Å; W112-E116 HydrophobicContact CZ2-CG 3.68Å; W112-E116 PolarHBondContact NE1-OE1 2.03Å; W112-E116 WeakPolarHBondContact O-CG 3.29Å; W112-E116 PolarHBondContact O-N 2.02Å
113L89.8Confident80.8Confident108 Ų10898.5 Ų98.557%0.56550%0.5SS*.Hα-helixtrans-58-42.1176.5-107.5158.1000112.9A109 T110 Q115 L117A109-L113 WeakPolarHBondContact O-CB 3.26Å; A109-L113 PolarHBondContact O-N 2.88Å; T110-L113 PolarHBondContact O-N 3.48Å; L113-Q115 VanDerWaalsContact C-N 3.31Å; L113-L117 VanDerWaalsContact O-CB 3.31Å; L113-L117 WeakPolarHBondContact O-CB 3.47Å; L113-L117 PolarHBondContact O-N 2.86Å
114L85.8Confident80.2Confident109 Ų109101.5 Ų101.557%0.57150%0.504SS*.Hα-helixtrans-64.1-38.3174.6-81.1161.5000111.5T110 R111 W112 L117 V118T110-L114 WeakPolarHBondContact O-CB 3.35Å; T110-L114 WeakPolarHBondContact O-CG 3.36Å; T110-L114 PolarHBondContact O-N 3.5Å; R111-L114 PolarHBondContact O-N 2.97Å; W112-L114 VanDerWaalsContact C-N 3.33Å; W112-L114 PolarHBondContact O-N 3.43Å; L114-L117 PolarHBondContact O-N 3.11Å; L114-V118 WeakPolarHBondContact O-CB 3.43Å; L114-V118 VanDerWaalsContact O-CG2 3.26Å; L114-V118 WeakPolarHBondContact O-CG2 3.37Å; L114-V118 PolarHBondContact O-N 3.28Å
115Q85.4Confident79.5Confident114 Ų114103.7 Ų103.753%0.53352%0.52SS..Hα-helixtrans-69.7-42178.6-168.6148.8-5.100111.9R111 W112 L113 L117 V118 L119R111-Q115 WeakPolarHBondContact O-CB 3.33Å; R111-Q115 PolarHBondContact O-N 3.43Å; W112-Q115 WeakPolarHBondContact O-CA 3.39Å; W112-Q115 WeakPolarHBondContact O-CB 3.48Å; W112-Q115 PolarHBondContact O-N 2.95Å; L113-Q115 VanDerWaalsContact C-N 3.31Å; Q115-L117 VanDerWaalsContact C-N 3.35Å; Q115-V118 PolarHBondContact O-N 2.61Å; Q115-L119 WeakPolarHBondContact O-CG 3.42Å; Q115-L119 PolarHBondContact O-N 3.17Å
116E85.4Confident78.3Confident84 Ų84106 Ų10639%0.39353%0.528SS..Hα-helixtrans-64.1-38.4171.7-65.2-58.4159.700111.8W112 L119 F120W112-E116 HydrophobicContact CD2-CG 4.09Å; W112-E116 HydrophobicContact CG-CG 4.5Å; W112-E116 HydrophobicContact CH2-CG 4.35Å; W112-E116 HydrophobicContact CZ2-CG 3.68Å; W112-E116 PolarHBondContact NE1-OE1 2.03Å; W112-E116 WeakPolarHBondContact O-CG 3.29Å; W112-E116 PolarHBondContact O-N 2.02Å; E116-L119 PolarHBondContact O-N 3.42Å; E116-F120 WeakPolarHBondContact O-CB 3.02Å; E116-F120 PolarHBondContact O-N 3.09Å
117L82Confident76.8Confident95 Ų95108.8 Ų108.850%0.49753%0.534SS..Hα-helixtrans-63.7-41.5174.7-172.1100.5000111.4L113 L114 Q115 F120 L121L113-L117 VanDerWaalsContact O-CB 3.31Å; L113-L117 WeakPolarHBondContact O-CB 3.47Å; L113-L117 PolarHBondContact O-N 2.86Å; L114-L117 PolarHBondContact O-N 3.11Å; Q115-L117 VanDerWaalsContact C-N 3.35Å; L117-F120 PolarHBondContact O-N 2.97Å; L117-L121 HydrophobicContact CD2-CD1 4.18Å; L117-L121 HydrophobicContact CG-CD1 4.26Å; L117-L121 WeakPolarHBondContact O-CB 3.07Å; L117-L121 VanDerWaalsContact O-CG 3.23Å; L117-L121 WeakPolarHBondContact O-CG 3.47Å; L117-L121 PolarHBondContact O-N 2.87Å
118V82.2Confident75.3Confident80 Ų80107.2 Ų107.249%0.48554%0.543SS..Hα-helixtrans-65.7-43.2176.1168.20000110.9L114 Q115 L121 L122L114-V118 WeakPolarHBondContact O-CB 3.43Å; L114-V118 VanDerWaalsContact O-CG2 3.26Å; L114-V118 WeakPolarHBondContact O-CG2 3.37Å; L114-V118 PolarHBondContact O-N 3.28Å; Q115-V118 PolarHBondContact O-N 2.61Å; V118-L121 PolarHBondContact O-N 3.09Å; V118-L122 HydrophobicContact CG1-CD1 3.98Å; V118-L122 WeakPolarHBondContact O-CB 3.36Å; V118-L122 WeakPolarHBondContact O-CG 3.38Å; V118-L122 PolarHBondContact O-N 3.47Å
119L80.1Confident73.8Confident78 Ų78106 Ų10641%0.40854%0.539SS..Hα-helixtrans-63-42.6174-71.6172.8000111.5Q115 E116 L121 L122 E123Q115-L119 WeakPolarHBondContact O-CG 3.42Å; Q115-L119 PolarHBondContact O-N 3.17Å; E116-L119 PolarHBondContact O-N 3.42Å; L119-L121 PolarHBondContact O-N 3.3Å; L119-L122 CarbonylContact O-C 3.54Å; L119-L122 WeakPolarHBondContact O-CB 3.41Å; L119-L122 PolarHBondContact O-N 3.13Å; L119-E123 WeakPolarHBondContact O-CB 3.06Å; L119-E123 WeakPolarHBondContact O-CG 3.41Å; L119-E123 PolarHBondContact O-N 2.85Å
120F78.2Confident71.6Confident106 Ų106114.6 Ų114.647%0.46556%0.562SS.*Hα-helixtrans-64-40.5176.3-179.4-97.6000112.2E116 L117 E123 W124E116-F120 WeakPolarHBondContact O-CB 3.02Å; E116-F120 PolarHBondContact O-N 3.09Å; L117-F120 PolarHBondContact O-N 2.97Å; F120-E123 PolarHBondContact O-N 3.3Å; F120-W124 AromaticContact CE1-CE3 3.87Å; F120-W124 HydrophobicContact CE1-CE3 3.87Å; F120-W124 HydrophobicContact CE1-CZ3 4.44Å; F120-W124 HydrophobicContact CE2-CE3 4.32Å; F120-W124 AromaticContact CZ-CE3 3.53Å; F120-W124 HydrophobicContact CZ-CE3 3.53Å; F120-W124 AromaticContact CZ-CZ3 3.86Å; F120-W124 HydrophobicContact CZ-CZ3 3.86Å; F120-W124 WeakPolarHBondContact O-CB 3.09Å; F120-W124 PolarHBondContact O-N 2.88Å
121L72.8Confident69.5Low101 Ų101123 Ų12353%0.52959%0.59SS.*Hα-helixtrans-68.8-36.2175-72.2170.5000111.8L117 V118 L119 S125L117-L121 HydrophobicContact CD2-CD1 4.18Å; L117-L121 HydrophobicContact CG-CD1 4.26Å; L117-L121 WeakPolarHBondContact O-CB 3.07Å; L117-L121 VanDerWaalsContact O-CG 3.23Å; L117-L121 WeakPolarHBondContact O-CG 3.47Å; L117-L121 PolarHBondContact O-N 2.87Å; V118-L121 PolarHBondContact O-N 3.09Å; L119-L121 PolarHBondContact O-N 3.3Å; L121-S125 WeakPolarHBondContact O-CB 3.25Å; L121-S125 PolarHBondContact O-N 2.89Å
122L72.1Confident67.3Low95 Ų95120.3 Ų120.350%0.49759%0.589SS.*Hα-helixtrans-64.8-48171.5-80163.6000110.9V118 L119 W124 S125 V126V118-L122 HydrophobicContact CG1-CD1 3.98Å; V118-L122 WeakPolarHBondContact O-CB 3.36Å; V118-L122 WeakPolarHBondContact O-CG 3.38Å; V118-L122 PolarHBondContact O-N 3.47Å; L119-L122 CarbonylContact O-C 3.54Å; L119-L122 WeakPolarHBondContact O-CB 3.41Å; L119-L122 PolarHBondContact O-N 3.13Å; L122-W124 PolarHBondContact O-N 3.4Å; L122-S125 PolarHBondContact O-N 3.49Å; L122-S125 PolarHBondContact O-OG 2.01Å; L122-V126 WeakPolarHBondContact O-CB 3.38Å; L122-V126 WeakPolarHBondContact O-CG2 3.34Å; L122-V126 PolarHBondContact O-N 2.92Å
123E69.8Low64.9Low119 Ų119124.1 Ų124.156%0.55660%0.603SS**Hα-helixtrans-60.6-43.5175.2-77.4-178.9171.200111.1L119 F120 S125 V126 W127L119-E123 WeakPolarHBondContact O-CB 3.06Å; L119-E123 WeakPolarHBondContact O-CG 3.41Å; L119-E123 PolarHBondContact O-N 2.85Å; F120-E123 PolarHBondContact O-N 3.3Å; E123-S125 VanDerWaalsContact C-N 3.31Å; E123-S125 PolarHBondContact O-N 3.13Å; E123-V126 CarbonylContact O-C 3.44Å; E123-V126 PolarHBondContact O-N 3.42Å; E123-W127 VanDerWaalsContact O-CB 3.3Å; E123-W127 WeakPolarHBondContact O-CB 3.42Å; E123-W127 PolarHBondContact O-N 2.86Å
124W61.8Low62.9Low182 Ų182122.7 Ų122.769%0.68961%0.614SS**Hα-helixtrans-64.9-34.3175.6-166.4-75.3000112.3F120 L122 V126F120-W124 AromaticContact CE1-CE3 3.87Å; F120-W124 HydrophobicContact CE1-CE3 3.87Å; F120-W124 HydrophobicContact CE1-CZ3 4.44Å; F120-W124 HydrophobicContact CE2-CE3 4.32Å; F120-W124 AromaticContact CZ-CE3 3.53Å; F120-W124 HydrophobicContact CZ-CE3 3.53Å; F120-W124 AromaticContact CZ-CZ3 3.86Å; F120-W124 HydrophobicContact CZ-CZ3 3.86Å; F120-W124 WeakPolarHBondContact O-CB 3.09Å; F120-W124 PolarHBondContact O-N 2.88Å; L122-W124 PolarHBondContact O-N 3.4Å; W124-V126 VanDerWaalsContact C-N 3.29Å
125S58.8Low60.6Low86 Ų86122.4 Ų122.460%0.60163%0.628SS**Hα-helixtrans-70.4-26.7172.978.60000112.9L121 L122 E123L121-S125 WeakPolarHBondContact O-CB 3.25Å; L121-S125 PolarHBondContact O-N 2.89Å; L122-S125 PolarHBondContact O-N 3.49Å; L122-S125 PolarHBondContact O-OG 2.01Å; E123-S125 VanDerWaalsContact C-N 3.31Å; E123-S125 PolarHBondContact O-N 3.13Å
126V54.8Low58.5Low99 Ų99125.6 Ų125.660%0.664%0.643SS**Hα-helixtrans-94.9-18.3-179175.70000111.7L122 E123 W124 G128 S129L122-V126 WeakPolarHBondContact O-CB 3.38Å; L122-V126 WeakPolarHBondContact O-CG2 3.34Å; L122-V126 PolarHBondContact O-N 2.92Å; E123-V126 CarbonylContact O-C 3.44Å; E123-V126 PolarHBondContact O-N 3.42Å; W124-V126 VanDerWaalsContact C-N 3.29Å; V126-G128 PolarHBondContact O-N 2.92Å; V126-S129 PolarHBondContact O-N 3.09Å
127W48.5Very low56.3Low199 Ų199126.4 Ų126.475%0.75466%0.664SS**THydrogen-bonded Turntrans-78.332.4176.1-145.2-87.5000113.5E123 S129E123-W127 VanDerWaalsContact O-CB 3.3Å; E123-W127 WeakPolarHBondContact O-CB 3.42Å; E123-W127 PolarHBondContact O-N 2.86Å; W127-S129 VanDerWaalsContact C-N 3.28Å
128G51.8Low54.4Low71 Ų71130.6 Ų130.673%0.73268%0.678SS**THydrogen-bonded Turntrans-84.2-4.2150.300000112.4V126V126-G128 PolarHBondContact O-N 2.92Å
129S48.8Very low52.7Low74 Ų74131.1 Ų131.152%0.51769%0.685SS.*SBendtrans-158.2112.2-167.9-122.70000114.5V126 W127V126-S129 PolarHBondContact O-N 3.09Å; W127-S129 VanDerWaalsContact C-N 3.28Å
130W40.2Very low50.9Low228 Ų228133.2 Ų133.286%0.86470%0.701SS**  trans96.1116153.3-51.192.4000119.2
131Y37Very low49.3Very low220 Ų220136.5 Ų136.586%0.86372%0.716SS**  trans-60.2141.1166.8-90.7-106.9000113.6
132D38.6Very low48Very low126 Ų126140 Ų14067%0.67473%0.729SS**  trans56.6115.4133.9-157.932.2000120.2
133R39.6Very low46.7Very low233 Ų233144.3 Ų144.388%0.87975%0.746SS**  -176.1123.7107-100.9178.3-116.2-154.2-2.4112.3
134G46.4Very low45.7Very low77 Ų77144.1 Ų144.179%0.79476%0.758SS**  trans-70.5153.1177.300000114.5
135A38.5Very low45.3Very low104 Ų104143.2 Ų143.286%0.8676%0.761SS**  trans-140.4106159.600000108.6
136E40.3Very low44.8Very low180 Ų180149.3 Ų149.384%0.84178%0.777SS**  trans-77.7118.3166-81.7-159.6151.600109.3
137A40.8Very low45Very low101 Ų101152.3 Ų152.384%0.83578%0.784SS**  trans-96.1107.3166.300000109.2
138K40.5Very low45.3Very low184 Ų184152 Ų15280%0.879%0.788SS**  trans-80.9114.5169.3-84.8-178.9176.3173.40110V140K138-V140 PolarHBondContact O-N 2.74Å
139S48.2Very low45.7Very low91 Ų91158.4 Ų158.464%0.63680%0.796SS**  trans-80113.516749.40000109.9F141S139-F141 PolarHBondContact O-N 2.81Å
140V40.5Very low46.6Very low121 Ų121163.2 Ų163.273%0.73381%0.81SS**  trans-81.9101.5170.7177.40000107.7K138 H142K138-V140 PolarHBondContact O-N 2.74Å; V140-H142 PolarHBondContact O-N 3.08Å
141F45.2Very low48.3Very low176 Ų176157.2 Ų157.277%0.77280%0.795SS**  trans-77114169.4-79.1-88.8000109.3S139 H143S139-F141 PolarHBondContact O-N 2.81Å; F141-H143 PolarHBondContact O-N 3.38Å
142H45.4Very low50.5Low174 Ų174151.4 Ų151.481%0.80678%0.784SS**  trans-61.1128.2168.9-76.6-86.1000109.8V140 S144V140-H142 PolarHBondContact O-N 3.08Å; H142-S144 PolarHBondContact O-N 3.42Å; H142-S144 VanDerWaalsContact O-N 3.12Å
143H45.9Very low52.9Low185 Ų185149.9 Ų149.986%0.85678%0.775SS**  trans-55.4115.2177-72.7-71.6000111F141 H145F141-H143 PolarHBondContact O-N 3.38Å; H143-H145 PolarHBondContact O-N 3.12Å
144S47.9Very low55.3Low116 Ų116142.7 Ų142.781%0.81175%0.751SS**  trans-64.9125.4174-1760000110.2H142 K146H142-S144 PolarHBondContact O-N 3.42Å; H142-S144 VanDerWaalsContact O-N 3.12Å; S144-K146 PolarHBondContact O-N 3.5Å
145H52.8Low57.5Low163 Ų163144.3 Ų144.376%0.75575%0.748SS**  trans-58.7125.5174.1-75.2-87.7000109.8H143 H147H143-H145 PolarHBondContact O-N 3.12Å; H145-H147 VanDerWaalsContact C-N 3.26Å; H145-H147 PolarHBondContact O-CD2 3.47Å; H145-H147 PolarHBondContact O-N 3.32Å
146K49.6Very low60.1Low213 Ų213139.9 Ų139.993%0.92671%0.71SS**  trans-68.781.7178.2-156.9178.7-170.5179.90109.1S144 K148S144-K146 PolarHBondContact O-N 3.5Å; K146-K148 PolarHBondContact O-N 3.16Å; K146-K148 VanDerWaalsContact O-N 3.17Å
147H57.8Low62.6Low162 Ų162133.5 Ų133.575%0.7568%0.682SS**  trans-58.8119.7170.5-78.7-83000108.5H145 K149H145-H147 VanDerWaalsContact C-N 3.26Å; H145-H147 PolarHBondContact O-CD2 3.47Å; H145-H147 PolarHBondContact O-N 3.32Å; H147-K149 PolarHBondContact O-N 3.38Å; H147-K149 VanDerWaalsContact O-N 3.08Å
148K54.7Low65.1Low192 Ų192129.3 Ų129.384%0.83565%0.646SS**  trans-54116168.7-159175.5-174.6-1790105.8K146 Q150K146-K148 PolarHBondContact O-N 3.16Å; K146-K148 VanDerWaalsContact O-N 3.17Å; K148-Q150 PolarHBondContact O-N 3.25Å
149K61.5Low67.7Low207 Ų207123.4 Ų123.490%0.962%0.622SS**  trans-58.890175.4-86.8-176.7173.6-177.30107.8H147H147-K149 PolarHBondContact O-N 3.38Å; H147-K149 VanDerWaalsContact O-N 3.08Å
150Q67.7Low69.9Low175 Ų175122.5 Ų122.582%0.81861%0.605SS**PPolyproline II helixtrans-71.5133.9158.3-76-179.8-20.500105.8K148K148-Q150 PolarHBondContact O-N 3.25Å
151D74.6Confident72.6Confident102 Ų102118 Ų11855%0.54558%0.578SS.*PPolyproline II helixtrans-54127.1173.9-62.4-34.5000107.7K87 L153K87-D151 IonicContact NZ-OD2 3.88Å; D151-L153 PolarHBondContact O-N 3Å; D151-L153 VanDerWaalsContact O-N 3.09Å
152P84.3Confident74.9Confident97 Ų97110.8 Ų110.863%0.6355%0.548SS*.PPolyproline II helixtrans-62.2118.8-179.925.7-32.6000107.9P88P88-P152 WeakPolarHBondContact CD-O 3.36Å; P88-P152 HydrophobicContact CG-CG 4.35Å; P88-P152 WeakPolarHBondContact CG-O 3.17Å
153L88.9Confident77.3Confident94 Ų94102.6 Ų102.649%0.49251%0.51SS..PPolyproline II helixtrans-83.1141.2171.6-66.7173.4000109.1M85 K87 D151M85-L153 HydrophobicContact CB-CB 4.25Å; M85-L153 HydrophobicContact CB-CD1 4.41Å; M85-L153 HydrophobicContact CE-CB 4.06Å; K87-L153 HydrophobicContact CG-CD2 3.69Å; D151-L153 PolarHBondContact O-N 3Å; D151-L153 VanDerWaalsContact O-N 3.09Å
154Q90.3Very high79.7Confident82 Ų8296.4 Ų96.438%0.38349%0.486SS..EExtended strand (participates in β ladder)trans-120.1147.5176.668-179.11500111M85 C86 P88 C156M85-Q154 CarbonylContact C-O 3.58Å; M85-Q154 WeakPolarHBondContact CA-O 3.45Å; C86-Q154 PolarHBondContact N-O 2.82Å; C86-Q154 PolarHBondContact O-N 3.13Å; P88-Q154 HydrophobicContact CB-CG 4.4Å; Q154-C156 PolarHBondContact O-N 3.42Å
155P93.2Very high81.9Confident112 Ų11291.5 Ų91.573%0.72745%0.449SS*.EExtended strand (participates in β ladder)trans-57.9133.5170.1-21.833.1000110.7A84A84-P155 WeakPolarHBondContact O-CA 3.13Å
156C91.8Very high83.9Confident10 Ų1087.4 Ų87.47%0.06843%0.431CS..EExtended strand (participates in β ladder)trans-146.7162.8179.163.40000109.9A84 C86 Q154 E218A84-C156 PolarHBondContact N-O 3.22Å; A84-C156 PolarHBondContact O-N 2.85Å; C86-C156 VanDerWaalsContact CA-SG 3.55Å; C86-C156 HydrophobicContact CB-CB 3.56Å; C86-C156 WeakPolarHBondContact CB-SG 3.17Å; C86-C156 PolarHBondContact N-SG 3.29Å; C86-C156 WeakPolarHBondContact SG-CB 3.41Å; C86-C156 CovalentContact SG-SG 2.01Å; C86-C156 PolarHBondContact SG-SG 3.14Å; Q154-C156 PolarHBondContact O-N 3.42Å; C156-E218 HydrophobicContact CB-CG 4.32Å
157D93.1Very high85.7Confident46 Ų4681.7 Ų81.725%0.24642%0.415CS..EExtended strand (participates in β ladder)trans-96.4129.2170.6-62.2-15.2000108.2D81 Y82 V219 Y221D81-D157 CarbonylContact O-C 3.6Å; D81-D157 WeakPolarHBondContact O-CA 3.4Å; Y82-D157 WeakPolarHBondContact CA-OD1 2.94Å; Y82-D157 HydrophobicContact CD1-CB 4.21Å; Y82-D157 VanDerWaalsContact CD1-CG 3.47Å; Y82-D157 WeakPolarHBondContact CD1-OD2 3.44Å; D157-V219 HydrophobicContact CB-CB 4.49Å; D157-V219 PolarHBondContact O-N 3.16Å; D157-Y221 HydrophobicContact CB-CE2 3.8Å; D157-Y221 WeakPolarHBondContact CB-OH 3.39Å; D157-Y221 WeakPolarHBondContact OD2-CE2 3.44Å; D157-Y221 PolarHBondContact OD2-OH 3.42Å; D157-Y221 VanDerWaalsContact OD2-OH 3.13Å
158T94.3Very high87.3Confident13 Ų1378.4 Ų78.48%0.0842%0.416CS..EExtended strand (participates in β ladder)trans-117.2150.1175.158.20000111.2Y80 D81 A84 T217Y80-T158 CarbonylContact C-O 3.5Å; Y80-T158 WeakPolarHBondContact CA-O 3.13Å; D81-T158 PolarHBondContact N-O 3.43Å; D81-T158 PolarHBondContact O-N 3.03Å; A84-T158 HydrophobicContact CB-CG2 3.62Å; A84-T158 WeakPolarHBondContact CB-OG1 3.04Å; T158-T217 CarbonylContact C-O 3.6Å; T158-T217 WeakPolarHBondContact CA-O 3.44Å; T158-T217 WeakPolarHBondContact CB-O 3.34Å
159E94.8Very high88.9Confident61 Ų6171.6 Ų71.629%0.28539%0.388SS..EExtended strand (participates in β ladder)trans-118.7145.7168.170.5-173.4-177.300110.1M79 Y80 A216 T217 V219M79-E159 CarbonylContact O-C 3.57Å; M79-E159 VanDerWaalsContact O-CA 3.25Å; M79-E159 WeakPolarHBondContact O-CA 3.25Å; Y80-E159 HydrophobicContact CD1-CB 3.8Å; Y80-E159 HydrophobicContact CE1-CB 3.63Å; Y80-E159 HydrophobicContact CE1-CG 4.45Å; Y80-E159 WeakPolarHBondContact CE1-OE2 3.25Å; Y80-E159 VanDerWaalsContact CZ-OE2 3.27Å; Y80-E159 PolarHBondContact OH-OE2 3.42Å; E159-A216 WeakPolarHBondContact O-CA 3.42Å; E159-T217 PolarHBondContact N-O 2.72Å; E159-T217 PolarHBondContact O-N 3.18Å; E159-T217 PolarHBondContact O-OG1 3.4Å; E159-V219 HydrophobicContact CB-CG2 3.62Å; E159-V219 HydrophobicContact CG-CG2 3.71Å
160Y94.7Very high90.3Very high72 Ų7270.4 Ų70.428%0.28238%0.378SS..EExtended strand (participates in β ladder)trans-145143.3174.657.6-83.2000110.3M79 D81 V162M79-Y160 HydrophobicContact CB-CD1 4.45Å; M79-Y160 HydrophobicContact CB-CD2 4.24Å; M79-Y160 HydrophobicContact CB-CE1 4.02Å; M79-Y160 HydrophobicContact CB-CE2 3.79Å; M79-Y160 HydrophobicContact CG-CE2 4.41Å; M79-Y160 PolarHBondContact N-O 3.2Å; M79-Y160 PolarHBondContact O-N 3.29Å; D81-Y160 HydrophobicContact CB-CE1 4.38Å; Y160-V162 HydrophobicContact CD2-CG2 3.54Å; Y160-V162 HydrophobicContact CE2-CG2 3.33Å
161P95.5Very high91.5Very high25 Ų2568.2 Ų68.216%0.16237%0.368CS..EExtended strand (participates in β ladder)trans-76.813217631.8-33.3000110.3Q76 F163 L213Q76-P161 HydrophobicContact CG-CB 4.06Å; P161-F163 HydrophobicContact CB-CE2 4.32Å; P161-F163 HydrophobicContact CB-CZ 4.28Å; P161-L213 WeakPolarHBondContact CG-O 3.42Å
162V95.3Very high92.4Very high26 Ų2663.7 Ų63.716%0.15834%0.344CS..EExtended strand (participates in β ladder)trans-115.8144.5171.3-179.30000108.9V77 M79 Y160V77-V162 PolarHBondContact N-O 3.27Å; V77-V162 PolarHBondContact O-N 3.07Å; M79-V162 HydrophobicContact CB-CG2 4.01Å; M79-V162 HydrophobicContact CG-CB 4.11Å; M79-V162 HydrophobicContact CG-CG2 3.55Å; Y160-V162 HydrophobicContact CD2-CG2 3.54Å; Y160-V162 HydrophobicContact CE2-CG2 3.33Å
163F95.3Very high93Very high1 Ų164.9 Ų64.90%0.00435%0.345CS..EExtended strand (participates in β ladder)trans-110.6135.6-178-60.7-83.2000110.4N41 F56 L69 F74 S75 Q76 P161 V212 Q214N41-F163 WeakPolarHBondContact CA-O 3.3Å; N41-F163 PolarHBondContact ND2-O 2.93Å; F56-F163 AromaticContact CE1-CD2 3.79Å; F56-F163 HydrophobicContact CE1-CD2 3.79Å; F56-F163 AromaticContact CE1-CE2 3.66Å; F56-F163 HydrophobicContact CE1-CE2 3.66Å; F56-F163 HydrophobicContact CE1-CZ 4.46Å; F56-F163 HydrophobicContact CE2-CB 4.34Å; F56-F163 AromaticContact CE2-CD2 3.8Å; F56-F163 HydrophobicContact CE2-CD2 3.8Å; F56-F163 HydrophobicContact CE2-CG 4.27Å; F56-F163 HydrophobicContact CZ-CB 4.23Å; F56-F163 AromaticContact CZ-CD2 3.11Å; F56-F163 HydrophobicContact CZ-CD2 3.11Å; F56-F163 AromaticContact CZ-CE2 3.48Å; F56-F163 HydrophobicContact CZ-CE2 3.48Å; F56-F163 VanDerWaalsContact CZ-CE2 3.48Å; F56-F163 AromaticContact CZ-CG 3.69Å; F56-F163 HydrophobicContact CZ-CG 3.69Å; F56-F163 HydrophobicContact CZ-CZ 4.33Å; L69-F163 HydrophobicContact CD1-CD1 4.44Å; L69-F163 HydrophobicContact CD1-CE1 3.81Å; L69-F163 HydrophobicContact CD2-CD1 3.84Å; L69-F163 HydrophobicContact CD2-CE1 3.93Å; L69-F163 HydrophobicContact CG-CE1 4.44Å; F74-F163 HydrophobicContact CD1-CB 4.25Å; S75-F163 WeakPolarHBondContact O-CA 3.18Å; Q76-F163 HydrophobicContact CB-CD1 4.19Å; Q76-F163 HydrophobicContact CB-CE1 3.88Å; Q76-F163 HydrophobicContact CG-CD1 4.47Å; Q76-F163 HydrophobicContact CG-CE1 3.88Å; Q76-F163 HydrophobicContact CG-CZ 4.3Å; P161-F163 HydrophobicContact CB-CE2 4.32Å; P161-F163 HydrophobicContact CB-CZ 4.28Å; F163-V212 HydrophobicContact CE1-CG1 4.21Å; F163-V212 HydrophobicContact CE2-CG1 4.02Å; F163-V212 HydrophobicContact CZ-CG1 3.41Å; F163-V212 VanDerWaalsContact CZ-CG1 3.41Å; F163-Q214 HydrophobicContact CD2-CG 4.07Å; F163-Q214 HydrophobicContact CE2-CG 3.93Å
164V95.3Very high93.2Very high56 Ų5661.1 Ų61.134%0.33933%0.33SS..EExtended strand (participates in β ladder)trans-133.9123.4179.9-174.60000109.5S75S75-V164 PolarHBondContact N-O 3.13Å; S75-V164 PolarHBondContact O-N 3.14Å; S75-V164 PolarHBondContact OG-O 2.94Å
165Y95.4Very high93.4Very high12 Ų1261.4 Ų61.45%0.04733%0.333CS..EExtended strand (participates in β ladder)trans-65.7137.8173.5168-112.8000111.5N40 V73 P167 I169 L196N40-Y165 WeakPolarHBondContact O-CB 3.38Å; N40-Y165 PolarHBondContact O-N 3.05Å; V73-Y165 HydrophobicContact CG1-CD2 3.9Å; V73-Y165 HydrophobicContact CG1-CE2 3.88Å; V73-Y165 VanDerWaalsContact O-CD2 3.31Å; V73-Y165 WeakPolarHBondContact O-CD2 3.49Å; Y165-P167 HydrophobicContact CE1-CB 4.47Å; Y165-P167 WeakPolarHBondContact O-CD 3.36Å; Y165-I169 WeakPolarHBondContact CE2-O 3.08Å; Y165-I169 PolarHBondContact OH-O 3.49Å; Y165-L196 HydrophobicContact CD1-CD1 4.25Å; Y165-L196 HydrophobicContact CD1-CD2 4.24Å; Y165-L196 HydrophobicContact CD2-CD1 3.69Å; Y165-L196 HydrophobicContact CD2-CD2 3.94Å; Y165-L196 HydrophobicContact CD2-CG 4.43Å; Y165-L196 HydrophobicContact CE1-CD2 3.87Å; Y165-L196 HydrophobicContact CE2-CD1 4.2Å; Y165-L196 HydrophobicContact CE2-CD2 3.55Å; Y165-L196 HydrophobicContact CE2-CG 4.5Å; Y165-L196 HydrophobicContact CG-CD1 3.73Å; Y165-L196 HydrophobicContact CG-CD2 4.27Å; Y165-L196 HydrophobicContact CG-CG 4.46Å
166Q94.3Very high93.4Very high78 Ų7856.2 Ų56.236%0.36430%0.299SS..  trans-93.6112.7176.5-64.8-173.813.200111.1G72 V73 A168 I169G72-Q166 PolarHBondContact O-NE2 3.39Å; G72-Q166 PolarHBondContact O-OE1 3.49Å; V73-Q166 PolarHBondContact O-N 3.38Å; Q166-A168 PolarHBondContact O-N 3.22Å; Q166-I169 PolarHBondContact O-N 2.93Å
167P87.9Confident93.5Very high93 Ų9362.7 Ų62.760%0.60433%0.328SS*.THydrogen-bonded Turntrans-66.7-8.6-176.2-20.132.4000115.2Y165 I169Y165-P167 HydrophobicContact CE1-CB 4.47Å; Y165-P167 WeakPolarHBondContact O-CD 3.36Å; P167-I169 PolarHBondContact O-N 3.16Å
168A90.1Very high93.4Very high93 Ų9360.6 Ų60.677%0.76932%0.318SS*.THydrogen-bonded Turntrans-66.5-28176.900000112.1Q166Q166-A168 PolarHBondContact O-N 3.22Å
169I89.7Confident93.1Very high48 Ų4863.1 Ų63.125%0.24635%0.346CS..  trans-10792.8-176-56.3167.3000109V73 Y165 Q166 P167 E171 A172V73-I169 HydrophobicContact CG2-CD1 4.32Å; V73-I169 HydrophobicContact CG2-CG2 4.13Å; Y165-I169 WeakPolarHBondContact CE2-O 3.08Å; Y165-I169 PolarHBondContact OH-O 3.49Å; Q166-I169 PolarHBondContact O-N 2.93Å; P167-I169 PolarHBondContact O-N 3.16Å; I169-E171 WeakPolarHBondContact CG2-O 2.83Å; I169-A172 HydrophobicContact CG2-CB 4.13Å
170R90Very high92.7Very high183 Ų18366.4 Ų66.469%0.69137%0.372SS*.SBendtrans-70.8-33.8-177.5-66.3-173.9177.8-178-0.1113.6Q189R170-Q189 PolarHBondContact O-N 3.36Å
171E93.4Very high92.6Very high129 Ų12965 Ų6560%0.60337%0.373SS*.EExtended strand (participates in β ladder)trans-139137.5-176.4-76.9170-159.800108.9I169 V187 Q188I169-E171 WeakPolarHBondContact CG2-O 2.83Å; E171-V187 WeakPolarHBondContact CA-O 3.24Å; E171-Q188 HydrophobicContact CG-CB 4.11Å; E171-Q188 HydrophobicContact CG-CG 3.7Å; E171-Q188 PolarHBondContact OE1-NE2 3.3Å
172A94Very high92.5Very high6 Ų669.3 Ų69.35%0.0539%0.391CS..EExtended strand (participates in β ladder)trans-145.9133.3175.900000109.1M71 V73 I169 V187M71-A172 HydrophobicContact CE-CB 3.88Å; V73-A172 HydrophobicContact CG2-CB 3.61Å; I169-A172 HydrophobicContact CG2-CB 4.13Å; A172-V187 HydrophobicContact CB-CG1 4.19Å; A172-V187 PolarHBondContact N-O 3.41Å; A172-V187 PolarHBondContact O-N 3.48Å
173N95.1Very high92.4Very high122 Ų12268.9 Ų68.965%0.65239%0.387SS*.EExtended strand (participates in β ladder)trans-126.3150.5172.461.1-31000109.2M71 F185 V186M71-N173 WeakPolarHBondContact CE-O 3.44Å; N173-F185 WeakPolarHBondContact CA-O 3.33Å; N173-V186 HydrophobicContact CB-CG2 4.09Å
174G93.9Very high92.3Very high16 Ų1672.1 Ų72.117%0.16541%0.407CS..EExtended strand (participates in β ladder)trans-164167.8-177.100000112.8F185G174-F185 VanDerWaalsContact C-CE1 3.46Å; G174-F185 PolarHBondContact N-O 3.32Å; G174-F185 WeakPolarHBondContact O-CD1 3.48Å; G174-F185 PolarHBondContact O-N 3.34Å
175I94.1Very high92.3Very high87 Ų8769.6 Ų69.645%0.44639%0.391SS..EExtended strand (participates in β ladder)trans-121.9128.8176.1-49.2-178.1000106.5Q182 K183 V184I175-Q182 HydrophobicContact CG2-CB 3.67Å; I175-Q182 HydrophobicContact CG2-CG 4.06Å; I175-K183 CarbonylContact C-O 3.57Å; I175-K183 WeakPolarHBondContact CA-O 3.44Å; I175-V184 HydrophobicContact CG1-CG1 4.2Å; I175-V184 HydrophobicContact CG2-CG1 4.42Å
176V93.8Very high92.3Very high3 Ų372.7 Ų72.72%0.01841%0.411CS..EExtended strand (participates in β ladder)trans-100.8121.5173.8-171.60000108.1A63 Q67 C178 Q182 K183 F185 F209A63-V176 HydrophobicContact CB-CG1 4.13Å; Q67-V176 HydrophobicContact CB-CG2 3.92Å; Q67-V176 HydrophobicContact CG-CG2 4.14Å; V176-C178 PolarHBondContact O-N 3.39Å; V176-Q182 WeakPolarHBondContact O-CA 3.11Å; V176-K183 HydrophobicContact CB-CB 4.41Å; V176-K183 PolarHBondContact N-O 3.02Å; V176-K183 PolarHBondContact O-N 3.5Å; V176-F185 HydrophobicContact CG2-CD1 3.8Å; V176-F185 HydrophobicContact CG2-CE1 3.66Å; V176-F209 HydrophobicContact CG1-CE2 3.8Å; V176-F209 HydrophobicContact CG1-CZ 3.98Å
177E93.3Very high92.3Very high146 Ų14669 Ų6968%0.68239%0.394SS*.EExtended strand (participates in β ladder)trans-81.9107.9175-63.5-172.6167.200109.3G179E177-G179 VanDerWaalsContact C-N 3.35Å
178C90.8Very high92.7Very high3 Ų368.6 Ų68.62%0.0238%0.384CS..  trans-98.516.7-177.7-56.40000112.4V176 P180 C181 C206 I208V176-C178 PolarHBondContact O-N 3.39Å; C178-P180 WeakPolarHBondContact O-CD 3.42Å; C178-C181 PolarHBondContact N-O 2.95Å; C178-C206 HydrophobicContact CB-CB 3.83Å; C178-C206 WeakPolarHBondContact CB-SG 3.43Å; C178-C206 WeakPolarHBondContact SG-CB 3.26Å; C178-C206 CovalentContact SG-SG 2.02Å; C178-C206 PolarHBondContact SG-SG 3.45Å; C178-I208 WeakPolarHBondContact O-CD1 3.37Å
179G88.3Confident92.9Very high66 Ų6666.5 Ų66.568%0.6836%0.358SS*.SBendtrans97.7-95.4-175.100000111.8E177 C181E177-G179 VanDerWaalsContact C-N 3.35Å; G179-C181 VanDerWaalsContact C-N 3.35Å
180P87.9Confident93.1Very high129 Ų12966.7 Ų66.784%0.83836%0.359SS*.SBendtrans-81.5-13-176.333.8-34.4000113.8C178C178-P180 WeakPolarHBondContact O-CD 3.42Å
181C91.8Very high93.1Very high44 Ų4462.9 Ų62.930%0.29736%0.358SS..SBendtrans-136.4161.4178.6560000111.1C178 G179 C204C178-C181 PolarHBondContact N-O 2.95Å; G179-C181 VanDerWaalsContact C-N 3.35Å; C181-C204 VanDerWaalsContact C-SG 3.6Å; C181-C204 HydrophobicContact CB-CB 3.81Å; C181-C204 WeakPolarHBondContact CB-SG 3.43Å; C181-C204 WeakPolarHBondContact SG-CB 3.45Å; C181-C204 CovalentContact SG-SG 2.03Å; C181-C204 PolarHBondContact SG-SG 3.33Å
182Q92.4Very high93Very high114 Ų11465.2 Ų65.253%0.53338%0.375SS..EExtended strand (participates in β ladder)trans-112.8131.4177-71.6-179.3-2.900108.5I175 V176I175-Q182 HydrophobicContact CG2-CB 3.67Å; I175-Q182 HydrophobicContact CG2-CG 4.06Å; V176-Q182 WeakPolarHBondContact O-CA 3.11Å
183K93.6Very high92.9Very high17 Ų1766.6 Ų66.67%0.07438%0.384CS..EExtended strand (participates in β ladder)trans-106118.7175.7-178.6168.5-177.5166.40109.4D61 I175 V176 D201 C204D61-K183 WeakPolarHBondContact OD2-CE 3.35Å; D61-K183 IonicContact OD2-NZ 2.99Å; D61-K183 PolarHBondContact OD2-NZ 3.02Å; I175-K183 CarbonylContact C-O 3.57Å; I175-K183 WeakPolarHBondContact CA-O 3.44Å; V176-K183 HydrophobicContact CB-CB 4.41Å; V176-K183 PolarHBondContact N-O 3.02Å; V176-K183 PolarHBondContact O-N 3.5Å; K183-D201 WeakPolarHBondContact CE-O 3.3Å; K183-C204 HydrophobicContact CB-CB 4.26Å
184V93.6Very high92.7Very high70 Ų7064.7 Ų64.742%0.42437%0.374SS..EExtended strand (participates in β ladder)trans-89.8145.1177.5-58.70000110.4I175 D201I175-V184 HydrophobicContact CG1-CG1 4.2Å; I175-V184 HydrophobicContact CG2-CG1 4.42Å; V184-D201 HydrophobicContact CG2-CB 3.86Å; V184-D201 PolarHBondContact O-N 3.07Å
185F95.1Very high92.8Very high3 Ų365.9 Ų65.91%0.01338%0.376CS..EExtended strand (participates in β ladder)trans-143.2153.4172.670.2-85.2000112.1V64 Q67 L68 M71 N173 G174 V176 L198 V199 T200V64-F185 HydrophobicContact CG1-CB 4.44Å; V64-F185 HydrophobicContact CG1-CD2 4.32Å; V64-F185 HydrophobicContact CG1-CG 4.2Å; V64-F185 HydrophobicContact CG2-CB 4.49Å; Q67-F185 HydrophobicContact CB-CE1 4.14Å; Q67-F185 HydrophobicContact CB-CZ 4.18Å; Q67-F185 HydrophobicContact CG-CE1 3.65Å; Q67-F185 HydrophobicContact CG-CZ 3.63Å; L68-F185 HydrophobicContact CD2-CD2 4.3Å; L68-F185 HydrophobicContact CD2-CE2 3.63Å; L68-F185 HydrophobicContact CD2-CZ 4.41Å; L68-F185 HydrophobicContact CG-CE2 4.25Å; M71-F185 HydrophobicContact SD-CE2 4.23Å; M71-F185 HydrophobicContact SD-CZ 3.71Å; N173-F185 WeakPolarHBondContact CA-O 3.33Å; G174-F185 VanDerWaalsContact C-CE1 3.46Å; G174-F185 PolarHBondContact N-O 3.32Å; G174-F185 WeakPolarHBondContact O-CD1 3.48Å; G174-F185 PolarHBondContact O-N 3.34Å; V176-F185 HydrophobicContact CG2-CD1 3.8Å; V176-F185 HydrophobicContact CG2-CE1 3.66Å; F185-L198 HydrophobicContact CB-CD1 4.23Å; F185-L198 HydrophobicContact CD2-CD1 4.33Å; F185-V199 CarbonylContact C-O 3.6Å; F185-V199 WeakPolarHBondContact CA-O 3.48Å; F185-T200 HydrophobicContact CB-CG2 3.86Å
186V95.1Very high92.8Very high76 Ų7661.8 Ų61.846%0.46136%0.355SS..EExtended strand (participates in β ladder)trans-133.6129.8173.3-177.10000108.2N173 L198 V199N173-V186 HydrophobicContact CB-CG2 4.09Å; V186-L198 CarbonylContact O-C 3.55Å; V186-L198 WeakPolarHBondContact O-CA 3.22Å; V186-V199 PolarHBondContact N-O 3.13Å; V186-V199 PolarHBondContact O-N 3.25Å
187V95.8Very high92.9Very high0 Ų063.3 Ų63.30%036%0.363CS..EExtended strand (participates in β ladder)trans-116.4134.1171.7122.10000109.2L68 V73 E171 A172 L197 L198L68-V187 HydrophobicContact CD2-CB 4.41Å; V73-V187 HydrophobicContact CG1-CG1 4.1Å; E171-V187 WeakPolarHBondContact CA-O 3.24Å; A172-V187 HydrophobicContact CB-CG1 4.19Å; A172-V187 PolarHBondContact N-O 3.41Å; A172-V187 PolarHBondContact O-N 3.48Å; V187-L197 CarbonylContact C-O 3.57Å; V187-L197 VanDerWaalsContact CA-O 3.3Å; V187-L197 WeakPolarHBondContact CA-O 3.21Å; V187-L198 HydrophobicContact CB-CD1 4.46Å; V187-L198 HydrophobicContact CG2-CB 3.78Å; V187-L198 HydrophobicContact CG2-CD1 3.7Å; V187-L198 HydrophobicContact CG2-CG 4.3Å
188Q94.7Very high93Very high85 Ų8556.4 Ų56.440%0.39733%0.331SS..EExtended strand (participates in β ladder)trans-139.6134.1177.1-179172.339.200110.4E171 L196 L197E171-Q188 HydrophobicContact CG-CB 4.11Å; E171-Q188 HydrophobicContact CG-CG 3.7Å; E171-Q188 PolarHBondContact OE1-NE2 3.3Å; Q188-L196 CarbonylContact O-C 3.24Å; Q188-L196 WeakPolarHBondContact O-CA 3.33Å; Q188-L197 PolarHBondContact N-O 3.03Å; Q188-L197 PolarHBondContact O-N 3.05Å
189Q95Very high93.2Very high49 Ų4957.8 Ų57.823%0.22934%0.339CS..EExtended strand (participates in β ladder)trans-69.6130.2173.1-169.9-176.910.300111.1R170 S193 L196R170-Q189 PolarHBondContact O-N 3.36Å; Q189-S193 PolarHBondContact NE2-O 3.18Å; Q189-L196 HydrophobicContact CB-CD2 4.02Å; Q189-L196 HydrophobicContact CG-CD2 4.34Å
190I93.2Very high93.5Very high53 Ų5354.8 Ų54.827%0.27231%0.308SS..PPolyproline II helixtrans-75.8120.9173.4-61.5176.8000108.1V37 S193 L195 L197V37-I190 HydrophobicContact CG1-CD1 4.03Å; I190-S193 WeakPolarHBondContact CB-OG 3.49Å; I190-S193 PolarHBondContact O-N 2.96Å; I190-S193 PolarHBondContact O-OG 2.68Å; I190-L195 HydrophobicContact CB-CB 4.44Å; I190-L195 HydrophobicContact CD1-CB 3.98Å; I190-L195 PolarHBondContact N-O 3.22Å; I190-L197 HydrophobicContact CG1-CB 4.31Å
191P91.5Very high93.7Very high103 Ų10350.2 Ų50.267%0.66928%0.276SS*.THydrogen-bonded Turntrans-59.8142.9-172.824.5-34.4000111.7S193P191-S193 PolarHBondContact O-N 3.35Å
192N91.1Very high93.5Very high177 Ų17750.3 Ų50.395%0.94728%0.276SS*.THydrogen-bonded Turntrans6024.7-178-51.5-49.9000114.5
193S91.6Very high93.3Very high36 Ų3650.4 Ų50.425%0.25229%0.285SS..SBendtrans-141.8167.2175.181.70000111.9Q189 I190 P191 L195Q189-S193 PolarHBondContact NE2-O 3.18Å; I190-S193 WeakPolarHBondContact CB-OG 3.49Å; I190-S193 PolarHBondContact O-N 2.96Å; I190-S193 PolarHBondContact O-OG 2.68Å; P191-S193 PolarHBondContact O-N 3.35Å; S193-L195 VanDerWaalsContact C-N 3.26Å; S193-L195 PolarHBondContact OG-N 3.12Å; S193-L195 VanDerWaalsContact OG-N 3.17Å
194N91.3Very high93.1Very high82 Ų8249.8 Ų49.844%0.43928%0.283SS..SBendtrans-86.94.8170.665.2-39.1000112.9D39 N40D39-N194 PolarHBondContact OD1-ND2 3.12Å; N40-N194 HydrophobicContact CB-CB 4.39Å; N40-N194 PolarHBondContact N-O 2.93Å; N40-N194 PolarHBondContact OD1-ND2 3.16Å
195L94.5Very high92.9Very high41 Ų4152.3 Ų52.322%0.21529%0.294CS..  trans-91.9151.5-175.3-54.6-177.5000111.5V37 I38 D39 L45 I190 S193V37-L195 HydrophobicContact CG1-CB 4.04Å; V37-L195 HydrophobicContact CG1-CD1 3.99Å; V37-L195 HydrophobicContact CG1-CG 4.48Å; I38-L195 WeakPolarHBondContact O-CA 2.99Å; D39-L195 HydrophobicContact CB-CD2 4.46Å; L45-L195 HydrophobicContact CD1-CD1 4.3Å; L45-L195 HydrophobicContact CD1-CD2 3.4Å; L45-L195 VanDerWaalsContact CD1-CD2 3.4Å; L45-L195 HydrophobicContact CD1-CG 4.49Å; I190-L195 HydrophobicContact CB-CB 4.44Å; I190-L195 HydrophobicContact CD1-CB 3.98Å; I190-L195 PolarHBondContact N-O 3.22Å; S193-L195 VanDerWaalsContact C-N 3.26Å; S193-L195 PolarHBondContact OG-N 3.12Å; S193-L195 VanDerWaalsContact OG-N 3.17Å
196L95.7Very high92.7Very high0 Ų052.8 Ų52.80%030%0.297CS..EExtended strand (participates in β ladder)trans-121.8139.1176.6-57.9152.2000108.7V37 I38 F74 Y165 Q188 Q189V37-L196 CarbonylContact C-O 3.55Å; V37-L196 WeakPolarHBondContact CA-O 3.48Å; I38-L196 HydrophobicContact CD1-CB 4.11Å; I38-L196 HydrophobicContact CD1-CD1 4.08Å; I38-L196 HydrophobicContact CG1-CB 3.6Å; I38-L196 HydrophobicContact CG1-CD1 4.05Å; I38-L196 HydrophobicContact CG1-CG 4.43Å; I38-L196 PolarHBondContact N-O 2.82Å; I38-L196 PolarHBondContact O-N 2.74Å; F74-L196 HydrophobicContact CE2-CD1 4.2Å; F74-L196 HydrophobicContact CZ-CD1 3.76Å; Y165-L196 HydrophobicContact CD1-CD1 4.25Å; Y165-L196 HydrophobicContact CD1-CD2 4.24Å; Y165-L196 HydrophobicContact CD2-CD1 3.69Å; Y165-L196 HydrophobicContact CD2-CD2 3.94Å; Y165-L196 HydrophobicContact CD2-CG 4.43Å; Y165-L196 HydrophobicContact CE1-CD2 3.87Å; Y165-L196 HydrophobicContact CE2-CD1 4.2Å; Y165-L196 HydrophobicContact CE2-CD2 3.55Å; Y165-L196 HydrophobicContact CE2-CG 4.5Å; Y165-L196 HydrophobicContact CG-CD1 3.73Å; Y165-L196 HydrophobicContact CG-CD2 4.27Å; Y165-L196 HydrophobicContact CG-CG 4.46Å; Q188-L196 CarbonylContact O-C 3.24Å; Q188-L196 WeakPolarHBondContact O-CA 3.33Å; Q189-L196 HydrophobicContact CB-CD2 4.02Å; Q189-L196 HydrophobicContact CG-CD2 4.34Å
197L95.3Very high92.3Very high36 Ų3653.5 Ų53.519%0.18831%0.306CS..EExtended strand (participates in β ladder)trans-92.5119.9166.9175.560.2000108.1F10 V187 Q188 I190 V199F10-L197 HydrophobicContact CE2-CD1 3.9Å; F10-L197 HydrophobicContact CZ-CD1 3.61Å; V187-L197 CarbonylContact C-O 3.57Å; V187-L197 VanDerWaalsContact CA-O 3.3Å; V187-L197 WeakPolarHBondContact CA-O 3.21Å; Q188-L197 PolarHBondContact N-O 3.03Å; Q188-L197 PolarHBondContact O-N 3.05Å; I190-L197 HydrophobicContact CG1-CB 4.31Å; L197-V199 HydrophobicContact CD1-CG2 4.29Å; L197-V199 HydrophobicContact CG-CG2 4.14Å
198L95.8Very high91.9Very high1 Ų159.4 Ų59.41%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-111.8126.7173.4170.366.7000108.7C35 F36 I38 L57 V64 F185 V186 V187 T200C35-L198 CarbonylContact C-O 3.58Å; C35-L198 WeakPolarHBondContact CA-O 3.42Å; F36-L198 HydrophobicContact CB-CB 4.25Å; F36-L198 HydrophobicContact CD2-CD2 4.05Å; F36-L198 HydrophobicContact CD2-CG 4.21Å; F36-L198 PolarHBondContact N-O 3.12Å; F36-L198 PolarHBondContact O-N 3.05Å; I38-L198 HydrophobicContact CD1-CB 4.36Å; L57-L198 HydrophobicContact CD1-CD2 3.7Å; L57-L198 HydrophobicContact CD2-CD2 3.74Å; L57-L198 HydrophobicContact CG-CD2 4.39Å; V64-L198 HydrophobicContact CG1-CD1 3.95Å; V64-L198 HydrophobicContact CG1-CD2 4.1Å; F185-L198 HydrophobicContact CB-CD1 4.23Å; F185-L198 HydrophobicContact CD2-CD1 4.33Å; V186-L198 CarbonylContact O-C 3.55Å; V186-L198 WeakPolarHBondContact O-CA 3.22Å; V187-L198 HydrophobicContact CB-CD1 4.46Å; V187-L198 HydrophobicContact CG2-CB 3.78Å; V187-L198 HydrophobicContact CG2-CD1 3.7Å; V187-L198 HydrophobicContact CG2-CG 4.3Å; L198-T200 HydrophobicContact CD1-CG2 3.84Å; L198-T200 HydrophobicContact CD2-CG2 4.25Å; L198-T200 HydrophobicContact CG-CG2 3.91Å
199V94.5Very high91.7Very high32 Ų3258.5 Ų58.519%0.19433%0.331CS..EExtended strand (participates in β ladder)trans-119.8129.3175.8-176.60000108.2L33 D34 F185 V186 L197L33-V199 HydrophobicContact CB-CG1 4.31Å; L33-V199 HydrophobicContact CD1-CG1 4.27Å; L33-V199 HydrophobicContact CD2-CG1 4.09Å; L33-V199 HydrophobicContact CG-CG1 4.47Å; D34-V199 WeakPolarHBondContact O-CA 3.36Å; F185-V199 CarbonylContact C-O 3.6Å; F185-V199 WeakPolarHBondContact CA-O 3.48Å; V186-V199 PolarHBondContact N-O 3.13Å; V186-V199 PolarHBondContact O-N 3.25Å; L197-V199 HydrophobicContact CD1-CG2 4.29Å; L197-V199 HydrophobicContact CG-CG2 4.14Å
200T93.9Very high91.6Very high2 Ų260.7 Ų60.71%0.01235%0.349CS..EExtended strand (participates in β ladder)trans-135.5151.3-177.262.60000111.3D34 V64 F185 L198D34-T200 WeakPolarHBondContact CB-OG1 3.37Å; D34-T200 PolarHBondContact N-O 2.85Å; D34-T200 PolarHBondContact O-N 2.86Å; D34-T200 PolarHBondContact O-OG1 3.33Å; V64-T200 HydrophobicContact CG1-CG2 4.49Å; V64-T200 HydrophobicContact CG2-CG2 3.98Å; F185-T200 HydrophobicContact CB-CG2 3.86Å; L198-T200 HydrophobicContact CD1-CG2 3.84Å; L198-T200 HydrophobicContact CD2-CG2 4.25Å; L198-T200 HydrophobicContact CG-CG2 3.91Å
201D91.5Very high91.5Very high34 Ų3462 Ų6218%0.18236%0.361CS..  trans-81.4122172.2-175.7-12.9000111.2K183 V184 T203K183-D201 WeakPolarHBondContact CE-O 3.3Å; V184-D201 HydrophobicContact CG2-CB 3.86Å; V184-D201 PolarHBondContact O-N 3.07Å; D201-T203 VanDerWaalsContact OD1-CB 3.25Å; D201-T203 WeakPolarHBondContact OD1-CB 3.38Å; D201-T203 WeakPolarHBondContact OD1-CG2 3.4Å; D201-T203 PolarHBondContact OD1-N 3.11Å; D201-T203 PolarHBondContact OD1-OG1 3.24Å; D201-T203 PolarHBondContact OD2-OG1 3Å; D201-T203 VanDerWaalsContact OD2-OG1 3.09Å
202P89Confident91.6Very high46 Ų4658.5 Ų58.530%0.29934%0.338SS..SBendtrans-81.7-6.8178.833.6-33.7000114.4S31 D32 C204S31-P202 WeakPolarHBondContact O-CG 3.41Å; D32-P202 WeakPolarHBondContact O-CD 3.34Å; P202-C204 VanDerWaalsContact C-N 3.3Å; P202-C204 PolarHBondContact O-N 3.08Å
203T87.9Confident91.7Very high115 Ų11553.1 Ų53.171%0.70631%0.309SS*.SBendtrans-69.5-24.6-171.960.70000114.1D201D201-T203 VanDerWaalsContact OD1-CB 3.25Å; D201-T203 WeakPolarHBondContact OD1-CB 3.38Å; D201-T203 WeakPolarHBondContact OD1-CG2 3.4Å; D201-T203 PolarHBondContact OD1-N 3.11Å; D201-T203 PolarHBondContact OD1-OG1 3.24Å; D201-T203 PolarHBondContact OD2-OG1 3Å; D201-T203 VanDerWaalsContact OD2-OG1 3.09Å
204C89.4Confident91.7Very high5 Ų554 Ų543%0.03431%0.309CS..SBendtrans-107122-176.5179.70000111.1C181 K183 P202C181-C204 VanDerWaalsContact C-SG 3.6Å; C181-C204 HydrophobicContact CB-CB 3.81Å; C181-C204 WeakPolarHBondContact CB-SG 3.43Å; C181-C204 WeakPolarHBondContact SG-CB 3.45Å; C181-C204 CovalentContact SG-SG 2.03Å; C181-C204 PolarHBondContact SG-SG 3.33Å; K183-C204 HydrophobicContact CB-CB 4.26Å; P202-C204 VanDerWaalsContact C-N 3.3Å; P202-C204 PolarHBondContact O-N 3.08Å
205D88.2Confident91.7Very high122 Ų12256.4 Ų56.465%0.65232%0.317SS*.  trans-82.9114.6173.2-176.13.2000110.3S207D205-S207 WeakPolarHBondContact OD1-CB 3.45Å; D205-S207 PolarHBondContact OD1-N 2.74Å; D205-S207 VanDerWaalsContact OD1-N 3.09Å; D205-S207 PolarHBondContact OD1-OG 3.25Å
206C90.9Very high91.6Very high13 Ų1357.5 Ų57.59%0.08833%0.332CS..  trans-104.930.8-176.7-610000112.9A63 C178 I208 F209A63-C206 HydrophobicContact CB-CB 3.63Å; C178-C206 HydrophobicContact CB-CB 3.83Å; C178-C206 WeakPolarHBondContact CB-SG 3.43Å; C178-C206 WeakPolarHBondContact SG-CB 3.26Å; C178-C206 CovalentContact SG-SG 2.02Å; C178-C206 PolarHBondContact SG-SG 3.45Å; C206-I208 PolarHBondContact O-N 2.79Å; C206-F209 HydrophobicContact CB-CD2 4.41Å; C206-F209 PolarHBondContact O-N 2.95Å; C206-F209 VanDerWaalsContact O-N 3.11Å
207S87Confident91.4Very high92 Ų9261 Ų6164%0.64335%0.354SS*.THydrogen-bonded Turntrans-60.6-5.3179.1-67.10000115.5D205 F209D205-S207 WeakPolarHBondContact OD1-CB 3.45Å; D205-S207 PolarHBondContact OD1-N 2.74Å; D205-S207 VanDerWaalsContact OD1-N 3.09Å; D205-S207 PolarHBondContact OD1-OG 3.25Å; S207-F209 PolarHBondContact O-N 3.5Å
208I88.8Confident91.3Very high124 Ų12463 Ų6364%0.63636%0.362SS*.THydrogen-bonded Turntrans-65.2-31.7171.6-56.3-177.6000110.9C178 C206C178-I208 WeakPolarHBondContact O-CD1 3.37Å; C206-I208 PolarHBondContact O-N 2.79Å
209F90.2Very high91Very high66 Ų6664 Ų6429%0.28937%0.369SS..SBendtrans-80.5124.2175.8-67.7-90000109.5A63 V176 C206 S207A63-F209 HydrophobicContact CB-CB 3.83Å; A63-F209 HydrophobicContact CB-CD2 3.51Å; A63-F209 HydrophobicContact CB-CE2 4.23Å; A63-F209 HydrophobicContact CB-CG 3.73Å; V176-F209 HydrophobicContact CG1-CE2 3.8Å; V176-F209 HydrophobicContact CG1-CZ 3.98Å; C206-F209 HydrophobicContact CB-CD2 4.41Å; C206-F209 PolarHBondContact O-N 2.95Å; C206-F209 VanDerWaalsContact O-N 3.11Å; S207-F209 PolarHBondContact O-N 3.5Å
210P92Very high90.6Very high95 Ų9570.2 Ų70.262%0.61739%0.393SS*.PPolyproline II helixtrans-64.7150.2176.327.8-33.9000110.5V212P210-V212 PolarHBondContact O-N 2.94Å
211P92.5Very high90Very high79 Ų7974.8 Ų74.851%0.51341%0.411SS..PPolyproline II helixtrans-63.1139.5173.727.5-33.8000110.1G58 L213G58-P211 CarbonylContact O-C 3.57Å; G58-P211 WeakPolarHBondContact O-CA 3.42Å; P211-L213 HydrophobicContact CB-CD2 4.14Å
212V93.2Very high89.6Confident30 Ų3078.4 Ų78.418%0.18243%0.43CS..  trans-92.9108.2175.3179.40000107.7F56 G58 L65 F163 P210F56-V212 VanDerWaalsContact CD1-O 3.31Å; F56-V212 WeakPolarHBondContact CD1-O 3.47Å; F56-V212 HydrophobicContact CE1-CG1 4.33Å; F56-V212 VanDerWaalsContact CE1-O 3.32Å; F56-V212 WeakPolarHBondContact CE1-O 3.31Å; G58-V212 CarbonylContact C-O 3.56Å; G58-V212 VanDerWaalsContact C-O 3.24Å; G58-V212 WeakPolarHBondContact CA-O 3.45Å; G58-V212 PolarHBondContact O-N 3.18Å; L65-V212 HydrophobicContact CD2-CB 3.86Å; L65-V212 HydrophobicContact CD2-CG1 3.84Å; L65-V212 HydrophobicContact CD2-CG2 4.35Å; F163-V212 HydrophobicContact CE1-CG1 4.21Å; F163-V212 HydrophobicContact CE2-CG1 4.02Å; F163-V212 HydrophobicContact CZ-CG1 3.41Å; F163-V212 VanDerWaalsContact CZ-CG1 3.41Å; P210-V212 PolarHBondContact O-N 2.94Å
213L93.1Very high89.2Confident65 Ų6580.1 Ų80.134%0.3445%0.448SS..  trans-99.9150.9-174.1-55.8176.7000111.6E59 P161 P211 E215E59-L213 HydrophobicContact CB-CD2 4.33Å; E59-L213 HydrophobicContact CG-CD2 3.92Å; P161-L213 WeakPolarHBondContact CG-O 3.42Å; P211-L213 HydrophobicContact CB-CD2 4.14Å; L213-E215 VanDerWaalsContact C-N 3.33Å; L213-E215 HydrophobicContact CB-CG 4.06Å; L213-E215 HydrophobicContact CD1-CG 4.39Å
214Q91Very high88.9Confident55 Ų5578 Ų7826%0.25744%0.438SS..  trans-99.441.1170.6-63-173.226.200111.1F56 F163F56-Q214 HydrophobicContact CD1-CG 4.03Å; F56-Q214 HydrophobicContact CE1-CG 4.08Å; F56-Q214 HydrophobicContact CG-CG 4.31Å; F56-Q214 VanDerWaalsContact CG-NE2 3.35Å; F56-Q214 HydrophobicContact CZ-CG 4.43Å; F163-Q214 HydrophobicContact CD2-CG 4.07Å; F163-Q214 HydrophobicContact CE2-CG 3.93Å
215E91.3Very high88.5Confident131 Ų13181.2 Ų81.261%0.61246%0.457SS*.  trans-78.1137.3-178.4-74.7-179.6179.700111.4L213L213-E215 VanDerWaalsContact C-N 3.33Å; L213-E215 HydrophobicContact CB-CG 4.06Å; L213-E215 HydrophobicContact CD1-CG 4.39Å
216A92.9Very high88.2Confident64 Ų6482.4 Ų82.453%0.52946%0.457SS..  trans-80.2125.7175.900000110.7E159E159-A216 WeakPolarHBondContact O-CA 3.42Å
217T92.1Very high87.8Confident75 Ų7584.7 Ų84.746%0.4647%0.472SS..EExtended strand (participates in β ladder)trans-110.6141177.755.80000110.1T158 E159 V219T158-T217 CarbonylContact C-O 3.6Å; T158-T217 WeakPolarHBondContact CA-O 3.44Å; T158-T217 WeakPolarHBondContact CB-O 3.34Å; E159-T217 PolarHBondContact N-O 2.72Å; E159-T217 PolarHBondContact O-N 3.18Å; E159-T217 PolarHBondContact O-OG1 3.4Å; T217-V219 PolarHBondContact O-N 3.26Å
218E91.6Very high87.7Confident76 Ų7684.4 Ų84.436%0.35546%0.463SS..EExtended strand (participates in β ladder)trans-68.7125.7175.5-175.8-179-168.600110.2C156 K220C156-E218 HydrophobicContact CB-CG 4.32Å; E218-K220 PolarHBondContact O-N 2.96Å
219V89.7Confident87.3Confident23 Ų2385.4 Ų85.414%0.13946%0.459CS..  trans-80.3117.8179.7-172.90000110Y80 D157 E159 T217 Y221Y80-V219 HydrophobicContact CD1-CG2 4.15Å; Y80-V219 HydrophobicContact CE1-CG2 4.08Å; D157-V219 HydrophobicContact CB-CB 4.49Å; D157-V219 PolarHBondContact O-N 3.16Å; E159-V219 HydrophobicContact CB-CG2 3.62Å; E159-V219 HydrophobicContact CG-CG2 3.71Å; T217-V219 PolarHBondContact O-N 3.26Å; V219-Y221 HydrophobicContact CB-CE2 4.3Å; V219-Y221 HydrophobicContact CG1-CD1 4.04Å; V219-Y221 HydrophobicContact CG1-CE1 3.61Å; V219-Y221 HydrophobicContact CG1-CE2 4.14Å; V219-Y221 HydrophobicContact CG1-CG 4.47Å
220K86.4Confident86.9Confident163 Ų16387.4 Ų87.471%0.70947%0.471SS*.  trans-95.1101.8171.9-64.4-174.3-178-179.30109.8E218 N222E218-K220 PolarHBondContact O-N 2.96Å; K220-N222 PolarHBondContact O-N 2.73Å
221Y81Confident86.4Confident97 Ų9793.1 Ų93.138%0.3848%0.48SS..  trans-70.5119.4178.9-63.5-72.3000112Y82 D157 V219 V225Y82-Y221 WeakPolarHBondContact CE1-OH 3.3Å; D157-Y221 HydrophobicContact CB-CE2 3.8Å; D157-Y221 WeakPolarHBondContact CB-OH 3.39Å; D157-Y221 WeakPolarHBondContact OD2-CE2 3.44Å; D157-Y221 PolarHBondContact OD2-OH 3.42Å; D157-Y221 VanDerWaalsContact OD2-OH 3.13Å; V219-Y221 HydrophobicContact CB-CE2 4.3Å; V219-Y221 HydrophobicContact CG1-CD1 4.04Å; V219-Y221 HydrophobicContact CG1-CE1 3.61Å; V219-Y221 HydrophobicContact CG1-CE2 4.14Å; V219-Y221 HydrophobicContact CG1-CG 4.47Å; Y221-V225 HydrophobicContact CD1-CG1 4.47Å
222N84.3Confident85.8Confident110 Ų11093.6 Ų93.659%0.58849%0.485SS*.  trans-69.5146.6164.2-67.2-26.1000109.9K220 S224 V225K220-N222 PolarHBondContact O-N 2.73Å; N222-S224 PolarHBondContact O-N 3.13Å; N222-S224 VanDerWaalsContact O-N 3.12Å; N222-V225 HydrophobicContact CB-CG2 4.37Å; N222-V225 PolarHBondContact O-N 2.75Å; N222-V225 VanDerWaalsContact O-N 3.13Å
223A79.4Confident85.1Confident82 Ų8298.2 Ų98.268%0.67851%0.505SS*.Hα-helixtrans-55.9-32.1-18000000113C227A223-C227 PolarHBondContact O-N 2.86Å; A223-C227 PolarHBondContact O-SG 3.05Å; A223-C227 VanDerWaalsContact O-SG 3.35Å
224S82.5Confident84.6Confident71 Ų71103.9 Ų103.950%0.49753%0.527SS..Hα-helixtrans-62.7-46.1176.649.70000113.3N222 K226 C227 D228N222-S224 PolarHBondContact O-N 3.13Å; N222-S224 VanDerWaalsContact O-N 3.12Å; S224-K226 VanDerWaalsContact C-N 3.28Å; S224-K226 PolarHBondContact O-N 3.24Å; S224-C227 WeakPolarHBondContact O-CA 3.26Å; S224-C227 WeakPolarHBondContact O-CB 3.5Å; S224-C227 PolarHBondContact O-N 2.98Å; S224-D228 PolarHBondContact O-N 3.45Å
225V81.3Confident84.5Confident72 Ų72109.9 Ų109.944%0.43656%0.559SS.*Hα-helixtrans-62.4-38.1-177.5179.20000111.2Y221 N222 C227 D228 R229Y221-V225 HydrophobicContact CD1-CG1 4.47Å; N222-V225 HydrophobicContact CB-CG2 4.37Å; N222-V225 PolarHBondContact O-N 2.75Å; N222-V225 VanDerWaalsContact O-N 3.13Å; V225-C227 VanDerWaalsContact C-N 3.34Å; V225-C227 PolarHBondContact O-N 3.17Å; V225-D228 PolarHBondContact O-N 3.39Å; V225-R229 PolarHBondContact O-N 2.9Å
226K80.3Confident84.2Confident147 Ų147113.2 Ų113.264%0.63957%0.567SS**Hα-helixtrans-62.4-42.2174.5-173.5174.7-179.7177.20111.3S224 R229 M230S224-K226 VanDerWaalsContact C-N 3.28Å; S224-K226 PolarHBondContact O-N 3.24Å; K226-R229 PolarHBondContact O-N 3.24Å; K226-M230 WeakPolarHBondContact O-CG 3.31Å; K226-M230 PolarHBondContact O-N 3.43Å; K226-M230 VanDerWaalsContact O-N 3.13Å
227C83.7Confident84.2Confident61 Ų61119.8 Ų119.841%0.41258%0.578SS.*Hα-helixtrans-65.4-41.8177-67.30000112.4A223 S224 V225 R229 M230 R231A223-C227 PolarHBondContact O-N 2.86Å; A223-C227 PolarHBondContact O-SG 3.05Å; A223-C227 VanDerWaalsContact O-SG 3.35Å; S224-C227 WeakPolarHBondContact O-CA 3.26Å; S224-C227 WeakPolarHBondContact O-CB 3.5Å; S224-C227 PolarHBondContact O-N 2.98Å; V225-C227 VanDerWaalsContact C-N 3.34Å; V225-C227 PolarHBondContact O-N 3.17Å; C227-R229 PolarHBondContact O-N 3.15Å; C227-M230 WeakPolarHBondContact O-CB 3.48Å; C227-M230 PolarHBondContact O-N 2.97Å; C227-M230 VanDerWaalsContact O-N 3.14Å; C227-R231 PolarHBondContact O-N 2.98Å
228D85.3Confident84.1Confident86 Ų86126.4 Ų126.446%0.4659%0.594SS.*Hα-helixtrans-65.4-39.2178.2-67.5-32.5000111.7S224 V225 M230 R231 S232S224-D228 PolarHBondContact O-N 3.45Å; V225-D228 PolarHBondContact O-N 3.39Å; D228-M230 VanDerWaalsContact C-N 3.28Å; D228-M230 PolarHBondContact O-N 3.22Å; D228-R231 WeakPolarHBondContact O-CB 3.41Å; D228-R231 PolarHBondContact O-N 3.39Å; D228-S232 PolarHBondContact O-N 3.37Å; D228-S232 PolarHBondContact O-OG 2.96Å
229R80Confident84.2Confident145 Ų145128.3 Ų128.355%0.54761%0.613SS.*Hα-helixtrans-63.4-32.2172.5-172.5174.5179.8155.1-0112.9Y82 V225 K226 C227 R231 S232Y82-R229 PolarHBondContact OH-NH1 2.97Å; V225-R229 PolarHBondContact O-N 2.9Å; K226-R229 PolarHBondContact O-N 3.24Å; C227-R229 PolarHBondContact O-N 3.15Å; R229-R231 VanDerWaalsContact C-N 3.29Å; R229-S232 CarbonylContact O-C 3.58Å; R229-S232 PolarHBondContact O-N 3.42Å
230M80.4Confident84.4Confident109 Ų109133.8 Ų133.854%0.53764%0.641SS.*Hα-helixtrans-70.1-25.8173.8-71.1-165.2-59.800112.8K226 C227 D228 Q233K226-M230 WeakPolarHBondContact O-CG 3.31Å; K226-M230 PolarHBondContact O-N 3.43Å; K226-M230 VanDerWaalsContact O-N 3.13Å; C227-M230 WeakPolarHBondContact O-CB 3.48Å; C227-M230 PolarHBondContact O-N 2.97Å; C227-M230 VanDerWaalsContact O-N 3.14Å; D228-M230 VanDerWaalsContact C-N 3.28Å; D228-M230 PolarHBondContact O-N 3.22Å; M230-Q233 WeakPolarHBondContact O-CG 3.4Å; M230-Q233 PolarHBondContact O-NE2 3.01Å
231R81.7Confident84.7Confident215 Ų215129.6 Ų129.681%0.81163%0.633SS**Hα-helixtrans-76.8-33.3174.8-68.5175.7173.5179.2-3.9112.1C227 D228 R229C227-R231 PolarHBondContact O-N 2.98Å; D228-R231 WeakPolarHBondContact O-CB 3.41Å; D228-R231 PolarHBondContact O-N 3.39Å; R229-R231 VanDerWaalsContact C-N 3.29Å
232S81.4Confident85.3Confident89 Ų89130.4 Ų130.462%0.62265%0.652SS**THydrogen-bonded Turntrans-10138.7-179.158.10000113.3D228 R229 K234D228-S232 PolarHBondContact O-N 3.37Å; D228-S232 PolarHBondContact O-OG 2.96Å; R229-S232 CarbonylContact O-C 3.58Å; R229-S232 PolarHBondContact O-N 3.42Å; S232-K234 PolarHBondContact O-N 2.86Å
233Q78.7Confident85.6Confident126 Ų126133.2 Ų133.259%0.58966%0.661SS**PPolyproline II helixtrans-57.8136.3179.5-75-179.921.800111.4M230M230-Q233 WeakPolarHBondContact O-CG 3.4Å; M230-Q233 PolarHBondContact O-NE2 3.01Å
234K81.6Confident86.1Confident185 Ų185133.5 Ų133.580%0.80466%0.663SS**PPolyproline II helixtrans-57.6141.4168-64.1-175.7178.6-173.80108.8S232 R236S232-K234 PolarHBondContact O-N 2.86Å; K234-R236 PolarHBondContact O-N 3.45Å; K234-R236 VanDerWaalsContact O-N 3.13Å
235L87.9Confident86.4Confident180 Ų180137.6 Ų137.694%0.94267%0.672SS**PPolyproline II helixtrans-55.7120.8175-177.266.2000109.4
236R87.1Confident86.8Confident202 Ų202139 Ų13976%0.76267%0.674SS**  trans-115128.3174-68.7-176.6-178.3166.9-0.7108.5K234K234-R236 PolarHBondContact O-N 3.45Å; K234-R236 VanDerWaalsContact O-N 3.13Å
237R91.6Very high87.4Confident202 Ų202137 Ų13776%0.76268%0.676SS**PPolyproline II helixtrans-78.1125.8168.4-176.2172.9175.7-176.7-3108.4D240R237-D240 IonicContact CZ-OD1 3.84Å; R237-D240 IonicContact NE-OD1 3.15Å; R237-D240 IonicContact NH2-OD1 2.69Å; R237-D240 PolarHBondContact NH2-OD1 3.28Å; R237-D240 IonicContact NH2-OD2 3.81Å; R237-D240 PolarHBondContact NH2-OD2 2.83Å
238R90.3Very high87.7Confident214 Ų214142.2 Ų142.281%0.80869%0.694SS**PPolyproline II helixtrans-78.2154.2171.4-70.3-174.6178.9176.1-0.1109.7
239P93.7Very high87.8Confident116 Ų116143.6 Ų143.675%0.75370%0.698SS**PPolyproline II helixtrans-52.8144.2167-23.834.4000111
240D93.1Very high87.9Confident137 Ų137142 Ų14273%0.73370%0.7SS**SBendtrans-73.3-29.5-175-62-32.5000112.1R237R237-D240 IonicContact CZ-OD1 3.84Å; R237-D240 IonicContact NE-OD1 3.15Å; R237-D240 IonicContact NH2-OD1 2.69Å; R237-D240 PolarHBondContact NH2-OD1 3.28Å; R237-D240 IonicContact NH2-OD2 3.81Å; R237-D240 PolarHBondContact NH2-OD2 2.83Å
241S94.2Very high87.9Confident75 Ų75141.3 Ų141.352%0.52471%0.712SS.*  trans-124.6150.5173.769.70000112.4H243S241-H243 PolarHBondContact OG-NE2 3.06Å; S241-H243 VanDerWaalsContact OG-NE2 3.09Å
242C92.4Very high87.9Confident115 Ų115139 Ų13978%0.77771%0.71SS**  trans-130.5114172.2-1780000108.1
243H91.2Very high87.6Confident168 Ų168141.4 Ų141.478%0.77872%0.716SS**  trans-102.177.8178.6-58.9-73.5000108.9S241S241-H243 PolarHBondContact OG-NE2 3.06Å; S241-H243 VanDerWaalsContact OG-NE2 3.09Å
244A89.6Confident87.7Confident88 Ų88141 Ų14173%0.72773%0.726SS**  trans-84-10.3-176.100000114
245F89.3Confident87.1Confident157 Ų157135.6 Ų135.669%0.68972%0.723SS**  trans-142.9134.2-176.2174.8-101.7000109.6P247F245-P247 HydrophobicContact CE1-CB 4.42Å
246H90.1Very high86.2Confident102 Ų102130.7 Ų130.747%0.47272%0.715SS.*  trans-117.3134168.4-167-91.1000109.8E248 E249H246-E248 IonicContact CE1-OE2 3.55Å; H246-E248 WeakPolarHBondContact ND1-CB 3.42Å; H246-E248 PolarHBondContact ND1-N 3.31Å; H246-E248 PolarHBondContact O-N 3.36Å; H246-E248 VanDerWaalsContact O-N 3.16Å; H246-E249 HydrophobicContact CB-CB 4.2Å; H246-E249 PolarHBondContact N-OE2 3.4Å; H246-E249 WeakPolarHBondContact O-CB 3.33Å; H246-E249 PolarHBondContact O-N 2.9Å
247P91.4Very high85.3Confident105 Ų105125.6 Ų125.668%0.68272%0.716SS**THydrogen-bonded Turntrans-63.4-23.1-176.524.8-34.6000114F245 E249F245-P247 HydrophobicContact CE1-CB 4.42Å; P247-E249 VanDerWaalsContact C-N 3.35Å
248E91.1Very high84.1Confident170 Ų170121.1 Ų121.179%0.79472%0.716SS**THydrogen-bonded Turntrans-91.54.1175.4-54.1177.1167.300112.8H246 N250H246-E248 IonicContact CE1-OE2 3.55Å; H246-E248 WeakPolarHBondContact ND1-CB 3.42Å; H246-E248 PolarHBondContact ND1-N 3.31Å; H246-E248 PolarHBondContact O-N 3.36Å; H246-E248 VanDerWaalsContact O-N 3.16Å; E248-N250 PolarHBondContact O-N 3.31Å
249E87.3Confident82.8Confident116 Ų116118.3 Ų118.354%0.54272%0.717SS.*  trans-75.2118.6176.9-170.6178.5178.100110.5H246 P247 A251H246-E249 HydrophobicContact CB-CB 4.2Å; H246-E249 PolarHBondContact N-OE2 3.4Å; H246-E249 WeakPolarHBondContact O-CB 3.33Å; H246-E249 PolarHBondContact O-N 2.9Å; P247-E249 VanDerWaalsContact C-N 3.35Å; E249-A251 PolarHBondContact O-N 2.9Å
250N82.7Confident81.4Confident110 Ų110118.7 Ų118.759%0.58872%0.718SS**  trans-83.394176.1-176.715.2000111E248 Q252E248-N250 PolarHBondContact O-N 3.31Å; N250-Q252 PolarHBondContact O-N 2.93Å; N250-Q252 WeakPolarHBondContact OD1-CB 3.4Å; N250-Q252 PolarHBondContact OD1-N 2.86Å
251A80.4Confident80Confident95 Ų95117.1 Ų117.179%0.78572%0.717SS**THydrogen-bonded Turntrans-75.10.5178.400000114.6E249E249-A251 PolarHBondContact O-N 2.9Å
252Q80.7Confident78.6Confident168 Ų168117.2 Ų117.279%0.78572%0.723SS**THydrogen-bonded Turntrans-91.3-8-178-61.4-155.7-13.100114.2N250 C254N250-Q252 PolarHBondContact O-N 2.93Å; N250-Q252 WeakPolarHBondContact OD1-CB 3.4Å; N250-Q252 PolarHBondContact OD1-N 2.86Å; Q252-C254 PolarHBondContact O-N 3.02Å
253D76.3Confident77.3Confident139 Ų139114 Ų11474%0.74370%0.701SS**  trans-8369.8-178.6-143.9-0.5000110.5G255D253-G255 VanDerWaalsContact C-N 3.32Å; D253-G255 PolarHBondContact O-N 3.41Å; D253-G255 VanDerWaalsContact O-N 3.12Å
254C80.6Confident76.1Confident117 Ų117110.4 Ų110.479%0.79169%0.693SS**  trans-84.572.2177.5620000110.3Q252 G256Q252-C254 PolarHBondContact O-N 3.02Å; C254-G256 PolarHBondContact O-N 2.87Å; C254-G256 VanDerWaalsContact O-N 3.16Å
255G68.2Low74.9Confident72 Ų72110.4 Ų110.474%0.74269%0.685SS**  trans26.276.7168.900000115.4D253 A257D253-G255 VanDerWaalsContact C-N 3.32Å; D253-G255 PolarHBondContact O-N 3.41Å; D253-G255 VanDerWaalsContact O-N 3.12Å; G255-A257 PolarHBondContact O-N 3.36Å
256G69.3Low73.6Confident76 Ų76108.5 Ų108.578%0.78468%0.682SS**  trans-63.5118.618000000111.2C254C254-G256 PolarHBondContact O-N 2.87Å; C254-G256 VanDerWaalsContact O-N 3.16Å
257A67.3Low72.1Confident95 Ų95109.2 Ų109.279%0.78569%0.689SS**  trans-68.7137.3164.700000108.7G255 D259G255-A257 PolarHBondContact O-N 3.36Å; A257-D259 PolarHBondContact O-N 2.88Å
258S66.8Low70.7Confident108 Ų108109.1 Ų109.176%0.75568%0.682SS**  trans-67105.8168.3560000108.4T260S258-T260 PolarHBondContact O-N 2.89Å; S258-T260 VanDerWaalsContact O-N 3.12Å
259D63.5Low69.3Low155 Ų155106.3 Ų106.383%0.82967%0.672SS**  trans-71.9105.6172.2-147.4-1.7000107.2A257 S261A257-D259 PolarHBondContact O-N 2.88Å; D259-S261 PolarHBondContact O-N 3.37Å
260T63.5Low68Low125 Ų125104.3 Ų104.377%0.76767%0.669SS**  trans-70.489.2173.550.90000107.4S258 A262S258-T260 PolarHBondContact O-N 2.89Å; S258-T260 VanDerWaalsContact O-N 3.12Å; T260-A262 PolarHBondContact O-N 2.95Å; T260-A262 VanDerWaalsContact O-N 3.11Å
261S64.9Low67Low103 Ų103103.6 Ų103.672%0.7267%0.668SS**  trans-59.6117.317664.40000109D259 S263D259-S261 PolarHBondContact O-N 3.37Å; S261-S263 PolarHBondContact O-N 3.07Å
262A63.5Low65.9Low78 Ų78102.3 Ų102.365%0.64565%0.653SS**  trans-59.8111172.900000108.3T260 P264 L267T260-A262 PolarHBondContact O-N 2.95Å; T260-A262 VanDerWaalsContact O-N 3.11Å; A262-P264 WeakPolarHBondContact O-CD 3.2Å; A262-L267 HydrophobicContact CB-CD1 4.47Å
263S66.8Low64.8Low46 Ų4697.1 Ų97.132%0.32264%0.639SS.*  trans-64.7117.8179.259.90000108.8S261 P265 L266S261-S263 PolarHBondContact O-N 3.07Å; S263-P265 VanDerWaalsContact C-N 3.27Å; S263-P265 VanDerWaalsContact O-N 3.16Å; S263-L266 PolarHBondContact O-N 3.17Å; S263-L266 VanDerWaalsContact O-N 3.08Å; S263-L266 WeakPolarHBondContact OG-CB 3.23Å; S263-L266 VanDerWaalsContact OG-CD1 3.24Å; S263-L266 WeakPolarHBondContact OG-CD1 3.2Å
264P64.4Low63.8Low93 Ų93101.1 Ų101.160%0.60464%0.643SS**Hα-helixtrans-50.2-35.2176.5-2433000115.3A262 L266 L267 L268A262-P264 WeakPolarHBondContact O-CD 3.2Å; P264-L266 VanDerWaalsContact C-N 3.29Å; P264-L266 PolarHBondContact O-N 2.89Å; P264-L267 PolarHBondContact O-N 3.42Å; P264-L268 PolarHBondContact O-N 2.66Å
265P65.4Low62.5Low88 Ų8897.8 Ų97.857%0.57163%0.629SS**Hα-helixtrans-65.2-29.5179.722.5-34000113.7S263 L268S263-P265 VanDerWaalsContact C-N 3.27Å; S263-P265 VanDerWaalsContact O-N 3.16Å; P265-L268 PolarHBondContact O-N 3.47Å
266L60.7Low61.6Low118 Ų11899.6 Ų99.662%0.61862%0.621SS**Hα-helixtrans-73-27.8178.1-95156.9000112.8S263 P264 L269S263-L266 PolarHBondContact O-N 3.17Å; S263-L266 VanDerWaalsContact O-N 3.08Å; S263-L266 WeakPolarHBondContact OG-CB 3.23Å; S263-L266 VanDerWaalsContact OG-CD1 3.24Å; S263-L266 WeakPolarHBondContact OG-CD1 3.2Å; P264-L266 VanDerWaalsContact C-N 3.29Å; P264-L266 PolarHBondContact O-N 2.89Å; L266-L269 HydrophobicContact CD2-CD1 4.1Å
267L60.5Low60.6Low117 Ų117102 Ų10261%0.61362%0.615SS**Hα-helixtrans-78.2-20.6175.6-74.8168.3000113.2A262 P264 P270A262-L267 HydrophobicContact CB-CD1 4.47Å; P264-L267 PolarHBondContact O-N 3.42Å; L267-P270 WeakPolarHBondContact O-CD 3.32Å; L267-P270 WeakPolarHBondContact O-CG 3.37Å
268L60.5Low59.7Low102 Ų102101.9 Ų101.953%0.53461%0.606SS.*Hα-helixtrans-88.5-20.1-179.8-72168.6000113.7P264 P265 V271 C272P264-L268 PolarHBondContact O-N 2.66Å; P265-L268 PolarHBondContact O-N 3.47Å; L268-V271 PolarHBondContact O-N 2.86Å; L268-V271 VanDerWaalsContact O-N 3.16Å; L268-C272 PolarHBondContact O-N 2.76Å
269L62Low58.9Low112 Ų112104.3 Ų104.359%0.58661%0.606SS**Hα-helixtrans-54.8-44.6175-74168.7000114.3L266 V271 A273L266-L269 HydrophobicContact CD2-CD1 4.1Å; L269-V271 VanDerWaalsContact C-N 3.32Å; L269-V271 PolarHBondContact O-N 3.41Å; L269-A273 WeakPolarHBondContact O-CB 3.43Å; L269-A273 PolarHBondContact O-N 2.75Å
270P60.4Low58.4Low73 Ų73104.3 Ų104.347%0.47461%0.605SS.*Hα-helixtrans-68.6-30176.824.3-32.7000113.1L267 W274L267-P270 WeakPolarHBondContact O-CD 3.32Å; L267-P270 WeakPolarHBondContact O-CG 3.37Å; P270-W274 PolarHBondContact O-N 3.32Å
271V60.7Low57.7Low95 Ų95105.9 Ų105.958%0.57661%0.608SS**Hα-helixtrans-73.9-41.1178.9-176.70000111.1L268 L269 W274 G275L268-V271 PolarHBondContact O-N 2.86Å; L268-V271 VanDerWaalsContact O-N 3.16Å; L269-V271 VanDerWaalsContact C-N 3.32Å; L269-V271 PolarHBondContact O-N 3.41Å; V271-W274 PolarHBondContact O-N 2.95Å; V271-G275 PolarHBondContact O-N 3.35Å
272C58.1Low56.5Low69 Ų69115.3 Ų115.347%0.46663%0.628SS.*Hα-helixtrans-67.7-36.5174.6-70.40000112.1L268 W274 G275 L276L268-C272 PolarHBondContact O-N 2.76Å; C272-W274 VanDerWaalsContact C-N 3.29Å; C272-W274 PolarHBondContact O-N 3.05Å; C272-G275 PolarHBondContact O-N 3.2Å; C272-L276 WeakPolarHBondContact O-CB 3.49Å; C272-L276 PolarHBondContact O-N 3.42Å
273A57.8Low56.2Low59 Ų59117.2 Ų117.249%0.48863%0.627SS.*Hα-helixtrans-62.7-35.6174.700000112.4L269L269-A273 WeakPolarHBondContact O-CB 3.43Å; L269-A273 PolarHBondContact O-N 2.75Å
274W54.8Low55.6Low222 Ų222120.9 Ų120.984%0.84164%0.643SS**Hα-helixtrans-81.4-26.8176.4-74.420000113.5P270 V271 C272 P278P270-W274 PolarHBondContact O-N 3.32Å; V271-W274 PolarHBondContact O-N 2.95Å; C272-W274 VanDerWaalsContact C-N 3.29Å; C272-W274 PolarHBondContact O-N 3.05Å; W274-P278 WeakPolarHBondContact O-CD 3.46Å
275G54.4Low55.2Low48 Ų48122.4 Ų122.450%0.49565%0.645SS.*Hα-helixtrans-82.3-26.4179.100000115.3V271 C272 P278V271-G275 PolarHBondContact O-N 3.35Å; C272-G275 PolarHBondContact O-N 3.2Å; G275-P278 WeakPolarHBondContact O-CD 3.35Å
276L49Very low54.6Low110 Ų110124.5 Ų124.558%0.57665%0.649SS**Hα-helixtrans-91.9-22.3-177.6-77.1159.5000113.8C272 P278 Q279C272-L276 WeakPolarHBondContact O-CB 3.49Å; C272-L276 PolarHBondContact O-N 3.42Å; L276-P278 VanDerWaalsContact C-CD 3.41Å; L276-Q279 PolarHBondContact O-N 3.41Å
277L47.1Very low54.2Low126 Ų126124.9 Ų124.966%0.6665%0.651SS**G310 helixtrans-65.4-30.1178.8-141.676.3000115.2Q279L277-Q279 VanDerWaalsContact C-N 3.31Å; L277-Q279 PolarHBondContact O-N 3.41Å
278P48.9Very low53.8Low92 Ų92125.4 Ų125.460%0.59765%0.654SS**G310 helixtrans-76.1-13.6178.6-12.227.7000114.2W274 G275 L276W274-P278 WeakPolarHBondContact O-CD 3.46Å; G275-P278 WeakPolarHBondContact O-CD 3.35Å; L276-P278 VanDerWaalsContact C-CD 3.41Å
279Q49.9Very low53.3Low159 Ų159127.1 Ų127.174%0.74366%0.663SS**G310 helixtrans-95.2-11.3-175.4-69.6-158.1-16.300114.5L276 L277L276-Q279 PolarHBondContact O-N 3.41Å; L277-Q279 VanDerWaalsContact C-N 3.31Å; L277-Q279 PolarHBondContact O-N 3.41Å
280L52.4Low52.6Low156 Ų156128.2 Ų128.282%0.81767%0.668SS**SBendtrans-99.42.6178.7-85.1156.7000114
281L49.8Very low51.9Low157 Ų157132.8 Ų132.882%0.82269%0.685SS**  trans-115.526.3-179.8-99.2152.3000113.2
282R40.5Very low51.2Low301 Ų301136.3 Ų136.3100%1.13670%0.695SS**  trans-122.70171.1-155.5-178.8-160.7178.75.9111.8

Retrieved 282 of 282 residues in 48 ms (Link to these results)