A0A3B3U6Y4_9TELE Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A3B3U6Y4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 312 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
1M46.5Very low58.3Low250 Ų250117.9 Ų117.9100%1.23265%0.651SS**  01070-64.1-170.9165.700106.6
2A44Very low60.8Low101 Ų101112.4 Ų112.484%0.83562%0.616SS**  trans-124.6100.4172.700000105.9A4A2-A4 PolarHBondContact O-N 3.08Å
3E46.4Very low63Low190 Ų190103.8 Ų103.889%0.88857%0.568SS**  trans-62.2114.4172.8-164.686.2152.600107.3
4A43.8Very low64.5Low77 Ų77103.1 Ų103.164%0.63656%0.559SS**PPolyproline II helixtrans-65139.9174.100000109.1A2A2-A4 PolarHBondContact O-N 3.08Å
5P52Low65.7Low110 Ų110108.9 Ų108.971%0.71457%0.57SS**PPolyproline II helixtrans-58.4142.9178.823.3-31.8000110.5R7P5-R7 PolarHBondContact O-N 3.07Å; P5-R7 VanDerWaalsContact O-N 3.09Å
6P56.9Low66.9Low128 Ų128104.2 Ų104.283%0.83155%0.548SS*.PPolyproline II helixtrans-61.3118.1-178.625.5-32.9000108.6
7R58.1Low68Low213 Ų213103.6 Ų103.680%0.80456%0.555SS**PPolyproline II helixtrans-62.8137.2175.1-63.6-179.2178.7-170.8-2108P5 S9P5-R7 PolarHBondContact O-N 3.07Å; P5-R7 VanDerWaalsContact O-N 3.09Å; R7-S9 VanDerWaalsContact C-N 3.26Å; R7-S9 PolarHBondContact O-N 3.12Å; R7-S9 PolarHBondContact O-OG 3.3Å
8P58.8Low68.8Low79 Ų7999.1 Ų99.151%0.51353%0.534SS..  trans-69.490.2171.1-10.926.8000108.7R10 E42P8-R10 PolarHBondContact O-N 3.26Å; P8-E42 VanDerWaalsContact CB-OE1 3.24Å; P8-E42 WeakPolarHBondContact CB-OE1 3.39Å; P8-E42 WeakPolarHBondContact CD-OE2 3.09Å; P8-E42 WeakPolarHBondContact CG-OE1 3.22Å; P8-E42 WeakPolarHBondContact O-CG 3.45Å
9S70Confident69.6Low39 Ų39100.5 Ų100.527%0.27354%0.537SS..  trans-73.7108175-60.30000108.5R7 F11 E39R7-S9 VanDerWaalsContact C-N 3.26Å; R7-S9 PolarHBondContact O-N 3.12Å; R7-S9 PolarHBondContact O-OG 3.3Å; S9-F11 WeakPolarHBondContact O-CD2 3.27Å; S9-F11 WeakPolarHBondContact O-CE2 3.22Å; S9-E39 WeakPolarHBondContact CB-OE1 3.46Å; S9-E39 PolarHBondContact OG-OE1 3.13Å
10R80.4Confident70.4Confident75 Ų7596.5 Ų96.528%0.28352%0.515SS..EExtended strand (participates in β ladder)trans-75.9138.6167.946.5160.7-176.9158.3-1.4108.3P8 E19 L40 P41 E43P8-R10 PolarHBondContact O-N 3.26Å; R10-E19 IonicContact NH1-OE1 3.73Å; R10-L40 HydrophobicContact CG-CB 3.74Å; R10-L40 WeakPolarHBondContact CG-O 3.32Å; R10-L40 VanDerWaalsContact NE-CB 3.32Å; R10-L40 PolarHBondContact O-N 3.34Å; R10-P41 VanDerWaalsContact CZ-O 3.3Å; R10-P41 PolarHBondContact NE-O 2.84Å; R10-P41 PolarHBondContact NH2-O 3.5Å; R10-E43 IonicContact NH2-OE1 2.72Å
11F84.6Confident70.9Confident35 Ų3596.6 Ų96.615%0.15452%0.524CS..EExtended strand (participates in β ladder)trans-118.9138-176.4-65.8-86.2000110.9S9 E19 I20 P22 Y27 I37 E38 E39S9-F11 WeakPolarHBondContact O-CD2 3.27Å; S9-F11 WeakPolarHBondContact O-CE2 3.22Å; F11-E19 CarbonylContact O-C 3.51Å; F11-E19 VanDerWaalsContact O-CA 3.32Å; F11-E19 WeakPolarHBondContact O-CA 3.42Å; F11-I20 WeakPolarHBondContact CB-O 3.43Å; F11-I20 PolarHBondContact O-N 3.19Å; F11-I20 VanDerWaalsContact O-O 3.12Å; F11-P22 HydrophobicContact CB-CG 4.45Å; F11-P22 HydrophobicContact CD1-CG 4.28Å; F11-P22 HydrophobicContact CD2-CG 3.65Å; F11-P22 HydrophobicContact CE1-CG 4.46Å; F11-P22 HydrophobicContact CE2-CG 3.85Å; F11-P22 HydrophobicContact CG-CG 3.88Å; F11-P22 HydrophobicContact CZ-CG 4.26Å; F11-Y27 HydrophobicContact CE1-CD1 4.29Å; F11-Y27 HydrophobicContact CE1-CE1 4.27Å; F11-Y27 HydrophobicContact CZ-CD1 4.41Å; F11-Y27 HydrophobicContact CZ-CE1 4.02Å; F11-I37 HydrophobicContact CB-CG2 3.61Å; F11-I37 HydrophobicContact CD1-CG2 4.05Å; F11-I37 HydrophobicContact CG-CG2 4.25Å; F11-E38 CarbonylContact C-O 3.56Å; F11-E38 VanDerWaalsContact CA-O 3.27Å; F11-E38 WeakPolarHBondContact CA-O 3.29Å; F11-E39 HydrophobicContact CD1-CB 4.15Å; F11-E39 HydrophobicContact CE1-CB 3.99Å; F11-E39 HydrophobicContact CE1-CG 4.18Å
12F87.9Confident72.6Confident52 Ų5285.8 Ų85.823%0.22847%0.472CS..EExtended strand (participates in β ladder)trans-118.9128.6-179.8-175.9-94.3000111S17 E19 I37 E38 L40F12-S17 VanDerWaalsContact CE2-C 3.47Å; F12-S17 VanDerWaalsContact CZ-CA 3.48Å; F12-E19 HydrophobicContact CD2-CG 4.05Å; F12-I37 CarbonylContact O-C 3.48Å; F12-I37 VanDerWaalsContact O-CA 3.27Å; F12-I37 WeakPolarHBondContact O-CA 3.15Å; F12-E38 PolarHBondContact N-O 2.92Å; F12-E38 PolarHBondContact O-N 3.29Å; F12-L40 HydrophobicContact CB-CD1 3.86Å; F12-L40 HydrophobicContact CB-CG 4.4Å
13C89.2Confident74.1Confident0 Ų089.2 Ų89.20%046%0.463CS..EExtended strand (participates in β ladder)trans-95.4119175.3-178.50000110.7R15 C16 S17 A18 I20 C29C13-R15 VanDerWaalsContact C-N 3.28Å; C13-R15 PolarHBondContact O-N 2.92Å; C13-C16 HydrophobicContact CB-CB 4.26Å; C13-C16 PolarHBondContact O-N 2.94Å; C13-S17 VanDerWaalsContact O-CA 3.29Å; C13-S17 WeakPolarHBondContact O-CA 3.4Å; C13-S17 PolarHBondContact O-N 3.46Å; C13-A18 PolarHBondContact N-O 3.05Å; C13-A18 PolarHBondContact O-N 3.5Å; C13-I20 HydrophobicContact CB-CD1 3.75Å; C13-I20 HydrophobicContact CB-CG1 3.9Å; C13-I20 HydrophobicContact CB-CG2 4.37Å; C13-C29 HydrophobicContact CB-CB 4.23Å; C13-C29 VanDerWaalsContact SG-SG 3.61Å
14H84.9Confident75.5Confident94 Ų9486.1 Ų86.144%0.43545%0.452SS..THydrogen-bonded Turntrans-68.8-24.7178.2-74.5-77.7000113.7F36 E38H14-F36 HydrophobicContact CB-CD1 3.99Å; H14-F36 PolarHBondContact N-O 3.14Å; H14-E38 IonicContact CD2-OE2 3.65Å; H14-E38 IonicContact CE1-OE2 3.96Å; H14-E38 PolarHBondContact CE1-OE2 3.41Å; H14-E38 VanDerWaalsContact CE1-OE2 3.27Å; H14-E38 IonicContact NE2-OE2 3.27Å; H14-E38 PolarHBondContact NE2-OE2 3.4Å
15R82.5Confident76.8Confident191 Ų19187.3 Ų87.372%0.72145%0.454SS*.THydrogen-bonded Turntrans-78.8-31.5177.9-172.462.766.7-179.23.5112.8C13 C32C13-R15 VanDerWaalsContact C-N 3.28Å; C13-R15 PolarHBondContact O-N 2.92Å; R15-C32 HydrophobicContact CG-CB 4.33Å
16C83.9Confident78Confident33 Ų3388.1 Ų88.122%0.22345%0.452CS..THydrogen-bonded Turntrans-100.1-3.4177-66.10000113.2C13 A18 C32C13-C16 HydrophobicContact CB-CB 4.26Å; C13-C16 PolarHBondContact O-N 2.94Å; C16-A18 HydrophobicContact CB-CB 4.34Å; C16-A18 WeakPolarHBondContact O-CB 3.3Å; C16-A18 PolarHBondContact O-N 2.87Å; C16-A18 VanDerWaalsContact O-N 3.13Å; C16-C32 VanDerWaalsContact SG-CB 3.59Å; C16-C32 PolarHBondContact SG-SG 3.1Å
17S85.9Confident79Confident95 Ų9588.1 Ų88.166%0.66444%0.436SS*.THydrogen-bonded Turntrans42.444.3-17261.70000112.6F12 C13F12-S17 VanDerWaalsContact CE2-C 3.47Å; F12-S17 VanDerWaalsContact CZ-CA 3.48Å; C13-S17 VanDerWaalsContact O-CA 3.29Å; C13-S17 WeakPolarHBondContact O-CA 3.4Å; C13-S17 PolarHBondContact O-N 3.46Å
18A81.8Confident80.3Confident22 Ų2279.9 Ų79.918%0.18241%0.41CS..EExtended strand (participates in β ladder)trans-145.3148-172.300000111.4C13 C16C13-A18 PolarHBondContact N-O 3.05Å; C13-A18 PolarHBondContact O-N 3.5Å; C16-A18 HydrophobicContact CB-CB 4.34Å; C16-A18 WeakPolarHBondContact O-CB 3.3Å; C16-A18 PolarHBondContact O-N 2.87Å; C16-A18 VanDerWaalsContact O-N 3.13Å
19E85.4Confident81.5Confident126 Ų12676.1 Ų76.159%0.58939%0.385SS*.EExtended strand (participates in β ladder)trans-69134.5168.3-64.9-175.7172.500109.9R10 F11 F12R10-E19 IonicContact NH1-OE1 3.73Å; F11-E19 CarbonylContact O-C 3.51Å; F11-E19 VanDerWaalsContact O-CA 3.32Å; F11-E19 WeakPolarHBondContact O-CA 3.42Å; F12-E19 HydrophobicContact CD2-CG 4.05Å
20I84.3Confident82.1Confident19 Ų1977.1 Ų77.110%0.09739%0.391CS..EExtended strand (participates in β ladder)trans-141.5158.2-173.254146.4000110.4F11 C13 C29 I37F11-I20 WeakPolarHBondContact CB-O 3.43Å; F11-I20 PolarHBondContact O-N 3.19Å; F11-I20 VanDerWaalsContact O-O 3.12Å; C13-I20 HydrophobicContact CB-CD1 3.75Å; C13-I20 HydrophobicContact CB-CG1 3.9Å; C13-I20 HydrophobicContact CB-CG2 4.37Å; I20-C29 HydrophobicContact CD1-CB 3.62Å; I20-I37 HydrophobicContact CD1-CD1 3.65Å; I20-I37 HydrophobicContact CD1-CG1 3.9Å; I20-I37 HydrophobicContact CD1-CG2 3.94Å; I20-I37 HydrophobicContact CG1-CG2 4.37Å
21S82.4Confident82.1Confident100 Ų10082.5 Ų82.570%0.69941%0.411SS*.  trans-100.1116.6164.3-52.90000108.2P30S21-P30 WeakPolarHBondContact O-CD 3.31Å; S21-P30 WeakPolarHBondContact O-CG 3.41Å
22P81.4Confident82.1Confident22 Ų2283 Ų8314%0.14342%0.419CS..  trans-66151.6-176.926.8-33.6000111.3F11 L24 Y27 T28 I37F11-P22 HydrophobicContact CB-CG 4.45Å; F11-P22 HydrophobicContact CD1-CG 4.28Å; F11-P22 HydrophobicContact CD2-CG 3.65Å; F11-P22 HydrophobicContact CE1-CG 4.46Å; F11-P22 HydrophobicContact CE2-CG 3.85Å; F11-P22 HydrophobicContact CG-CG 3.88Å; F11-P22 HydrophobicContact CZ-CG 4.26Å; P22-L24 PolarHBondContact O-N 3.37Å; P22-Y27 HydrophobicContact CB-CD1 4.22Å; P22-Y27 HydrophobicContact CG-CD1 3.98Å; P22-Y27 HydrophobicContact CG-CE1 4.48Å; P22-T28 WeakPolarHBondContact CA-O 3.07Å; P22-I37 HydrophobicContact CB-CD1 4.05Å
23R75.8Confident81.8Confident173 Ų17388.5 Ų88.565%0.65345%0.445SS*.BIsolated β-bridgetrans-78.5114.4168.7-69.2-71.7-176.3141.4-0108.6D26 Y27 T28 P30R23-D26 PolarHBondContact O-N 3.26Å; R23-Y27 PolarHBondContact O-N 3.2Å; R23-Y27 VanDerWaalsContact O-N 3.09Å; R23-T28 PolarHBondContact N-O 3.49Å; R23-P30 HydrophobicContact CG-CB 4.31Å
24L75.6Confident81.3Confident125 Ų12589.8 Ų89.865%0.65445%0.454SS*.THydrogen-bonded Turntrans-76.8143.7170.8-64.3171.9000109.5P22 Y27P22-L24 PolarHBondContact O-N 3.37Å; L24-Y27 HydrophobicContact CD2-CD1 4.21Å; L24-Y27 HydrophobicContact CD2-CD2 4.31Å; L24-Y27 HydrophobicContact CD2-CE1 3.7Å; L24-Y27 HydrophobicContact CD2-CE2 3.83Å; L24-Y27 HydrophobicContact CD2-CG 4.5Å; L24-Y27 VanDerWaalsContact CD2-CZ 3.5Å
25P71.5Confident81Confident103 Ų10388.2 Ų88.267%0.66946%0.463SS*.THydrogen-bonded Turncis-90.7-99.734.6-34.8000115.7Y27P25-Y27 VanDerWaalsContact C-N 3.33Å; P25-Y27 WeakPolarHBondContact O-CD2 3.21Å; P25-Y27 PolarHBondContact O-N 3.42Å
26D76.1Confident81.1Confident127 Ų12786 Ų8668%0.67946%0.459SS*.THydrogen-bonded Turntrans-86.10.9-166-58.1-38000114.7R23 T28R23-D26 PolarHBondContact O-N 3.26Å; D26-T28 VanDerWaalsContact C-N 3.32Å; D26-T28 HydrophobicContact CB-CG2 4.08Å; D26-T28 PolarHBondContact O-N 3.22Å
27Y78.5Confident81.3Confident127 Ų12786.1 Ų86.150%0.49846%0.457SS..THydrogen-bonded Turntrans46.952.2-176.9-70.7-90000112.8F11 P22 R23 L24 P25 I37F11-Y27 HydrophobicContact CE1-CD1 4.29Å; F11-Y27 HydrophobicContact CE1-CE1 4.27Å; F11-Y27 HydrophobicContact CZ-CD1 4.41Å; F11-Y27 HydrophobicContact CZ-CE1 4.02Å; P22-Y27 HydrophobicContact CB-CD1 4.22Å; P22-Y27 HydrophobicContact CG-CD1 3.98Å; P22-Y27 HydrophobicContact CG-CE1 4.48Å; R23-Y27 PolarHBondContact O-N 3.2Å; R23-Y27 VanDerWaalsContact O-N 3.09Å; L24-Y27 HydrophobicContact CD2-CD1 4.21Å; L24-Y27 HydrophobicContact CD2-CD2 4.31Å; L24-Y27 HydrophobicContact CD2-CE1 3.7Å; L24-Y27 HydrophobicContact CD2-CE2 3.83Å; L24-Y27 HydrophobicContact CD2-CG 4.5Å; L24-Y27 VanDerWaalsContact CD2-CZ 3.5Å; P25-Y27 VanDerWaalsContact C-N 3.33Å; P25-Y27 WeakPolarHBondContact O-CD2 3.21Å; P25-Y27 PolarHBondContact O-N 3.42Å; Y27-I37 WeakPolarHBondContact O-CD1 3.5Å
28T84.4Confident81.3Confident40 Ų4086 Ų8625%0.24545%0.446CS..BIsolated β-bridgetrans-108.3149.518052.50000112.3P22 R23 D26P22-T28 WeakPolarHBondContact CA-O 3.07Å; R23-T28 PolarHBondContact N-O 3.49Å; D26-T28 VanDerWaalsContact C-N 3.32Å; D26-T28 HydrophobicContact CB-CG2 4.08Å; D26-T28 PolarHBondContact O-N 3.22Å
29C85.4Confident81.5Confident0 Ų090.5 Ų90.50%046%0.464CS..  trans-72.2127.4-179.2174.10000109.9C13 I20 R31 C32 E33 S34 I37C13-C29 HydrophobicContact CB-CB 4.23Å; C13-C29 VanDerWaalsContact SG-SG 3.61Å; I20-C29 HydrophobicContact CD1-CB 3.62Å; C29-R31 PolarHBondContact O-N 2.69Å; C29-R31 VanDerWaalsContact O-N 3.11Å; C29-R31 PolarHBondContact SG-N 2.87Å; C29-R31 VanDerWaalsContact SG-N 3.41Å; C29-C32 VanDerWaalsContact CB-SG 3.56Å; C29-C32 PolarHBondContact SG-SG 3.48Å; C29-E33 WeakPolarHBondContact O-CA 3.46Å; C29-E33 PolarHBondContact O-N 3.21Å; C29-S34 WeakPolarHBondContact CB-O 3.06Å; C29-S34 PolarHBondContact N-O 3.4Å; C29-I37 HydrophobicContact CB-CD1 4.15Å; C29-I37 HydrophobicContact CB-CG1 4.33Å; C29-I37 VanDerWaalsContact N-CD1 3.31Å
30P82.2Confident81.2Confident61 Ų6186.5 Ų86.540%0.39645%0.446SS..THydrogen-bonded Turntrans-69.8-9.2-179.829.5-36.5000113.9S21 R23S21-P30 WeakPolarHBondContact O-CD 3.31Å; S21-P30 WeakPolarHBondContact O-CG 3.41Å; R23-P30 HydrophobicContact CG-CB 4.31Å
31R80.8Confident80.6Confident188 Ų18890.5 Ų90.571%0.70947%0.473SS*.THydrogen-bonded Turntrans-102.4-29.6-177.2-60.8-174.677175.73.2113.8C29C29-R31 PolarHBondContact O-N 2.69Å; C29-R31 VanDerWaalsContact O-N 3.11Å; C29-R31 PolarHBondContact SG-N 2.87Å; C29-R31 VanDerWaalsContact SG-N 3.41Å
32C84.6Confident80Confident45 Ų4591.4 Ų91.430%0.30447%0.466SS..THydrogen-bonded Turntrans-1334.5-177.563.70000113.7R15 C16 C29 S34R15-C32 HydrophobicContact CG-CB 4.33Å; C16-C32 VanDerWaalsContact SG-CB 3.59Å; C16-C32 PolarHBondContact SG-SG 3.1Å; C29-C32 VanDerWaalsContact CB-SG 3.56Å; C29-C32 PolarHBondContact SG-SG 3.48Å; C32-S34 PolarHBondContact O-N 3.08Å; C32-S34 PolarHBondContact SG-OG 3.33Å
33E82.1Confident78.7Confident167 Ų16797.9 Ų97.978%0.7849%0.494SS*.  trans56.911.2-180-59.2177178.900114.2C29C29-E33 WeakPolarHBondContact O-CA 3.46Å; C29-E33 PolarHBondContact O-N 3.21Å
34S77.4Confident77.1Confident28 Ų2895.8 Ų95.820%0.19650%0.501CS..  trans-82.6143.9-179.777.90000111.6C29 C32 F36C29-S34 WeakPolarHBondContact CB-O 3.06Å; C29-S34 PolarHBondContact N-O 3.4Å; C32-S34 PolarHBondContact O-N 3.08Å; C32-S34 PolarHBondContact SG-OG 3.33Å; S34-F36 PolarHBondContact O-N 3.43Å
35G79.9Confident75.8Confident61 Ų6194.9 Ų94.963%0.62951%0.506SS*.SBendtrans-82.914.9169.100000113.7I37G35-I37 VanDerWaalsContact C-N 3.31Å; G35-I37 PolarHBondContact O-N 3.44Å; G35-I37 VanDerWaalsContact O-N 3.15Å
36F84.6Confident74.3Confident144 Ų14495.3 Ų95.363%0.63251%0.511SS*.  trans-90.470.9-179-128.9-88.5000109.9H14 S34H14-F36 HydrophobicContact CB-CD1 3.99Å; H14-F36 PolarHBondContact N-O 3.14Å; S34-F36 PolarHBondContact O-N 3.43Å
37I86.8Confident73.2Confident36 Ų3697.3 Ų97.319%0.18552%0.516CS..EExtended strand (participates in β ladder)trans-125.4133.3-173.3-48.7172.4000108.9F11 F12 I20 P22 Y27 C29 G35F11-I37 HydrophobicContact CB-CG2 3.61Å; F11-I37 HydrophobicContact CD1-CG2 4.05Å; F11-I37 HydrophobicContact CG-CG2 4.25Å; F12-I37 CarbonylContact O-C 3.48Å; F12-I37 VanDerWaalsContact O-CA 3.27Å; F12-I37 WeakPolarHBondContact O-CA 3.15Å; I20-I37 HydrophobicContact CD1-CD1 3.65Å; I20-I37 HydrophobicContact CD1-CG1 3.9Å; I20-I37 HydrophobicContact CD1-CG2 3.94Å; I20-I37 HydrophobicContact CG1-CG2 4.37Å; P22-I37 HydrophobicContact CB-CD1 4.05Å; Y27-I37 WeakPolarHBondContact O-CD1 3.5Å; C29-I37 HydrophobicContact CB-CD1 4.15Å; C29-I37 HydrophobicContact CB-CG1 4.33Å; C29-I37 VanDerWaalsContact N-CD1 3.31Å; G35-I37 VanDerWaalsContact C-N 3.31Å; G35-I37 PolarHBondContact O-N 3.44Å; G35-I37 VanDerWaalsContact O-N 3.15Å
38E85.6Confident71.4Confident93 Ų9399.2 Ų99.244%0.43554%0.535SS..EExtended strand (participates in β ladder)trans-108.4140.8177.5-178.1173.117800110.4F11 F12 H14F11-E38 CarbonylContact C-O 3.56Å; F11-E38 VanDerWaalsContact CA-O 3.27Å; F11-E38 WeakPolarHBondContact CA-O 3.29Å; F12-E38 PolarHBondContact N-O 2.92Å; F12-E38 PolarHBondContact O-N 3.29Å; H14-E38 IonicContact CD2-OE2 3.65Å; H14-E38 IonicContact CE1-OE2 3.96Å; H14-E38 PolarHBondContact CE1-OE2 3.41Å; H14-E38 VanDerWaalsContact CE1-OE2 3.27Å; H14-E38 IonicContact NE2-OE2 3.27Å; H14-E38 PolarHBondContact NE2-OE2 3.4Å
39E85.9Confident68.9Low116 Ų116101 Ų10154%0.54256%0.561SS.*EExtended strand (participates in β ladder)trans-90.1119.9174.2-179.9174.7177.500109.6S9 F11S9-E39 WeakPolarHBondContact CB-OE1 3.46Å; S9-E39 PolarHBondContact OG-OE1 3.13Å; F11-E39 HydrophobicContact CD1-CB 4.15Å; F11-E39 HydrophobicContact CE1-CB 3.99Å; F11-E39 HydrophobicContact CE1-CG 4.18Å
40L80.1Confident66.4Low41 Ų41107 Ų10722%0.21560%0.602CS.*EExtended strand (participates in β ladder)trans-99.6132.5177.2-66169.3000109.8R10 F12R10-L40 HydrophobicContact CG-CB 3.74Å; R10-L40 WeakPolarHBondContact CG-O 3.32Å; R10-L40 VanDerWaalsContact NE-CB 3.32Å; R10-L40 PolarHBondContact O-N 3.34Å; F12-L40 HydrophobicContact CB-CD1 3.86Å; F12-L40 HydrophobicContact CB-CG 4.4Å
41P72.5Confident64.9Low103 Ų103109 Ų10967%0.66961%0.614SS**PPolyproline II helixtrans-70.2151174.727.5-32.4000111.4R10R10-P41 VanDerWaalsContact CZ-O 3.3Å; R10-P41 PolarHBondContact NE-O 2.84Å; R10-P41 PolarHBondContact NH2-O 3.5Å
42E69.9Low62.6Low119 Ų119105.2 Ų105.256%0.55662%0.617SS**PPolyproline II helixtrans-66.2133.1176.5-70.3-174.7133.500111.9P8 T44P8-E42 VanDerWaalsContact CB-OE1 3.24Å; P8-E42 WeakPolarHBondContact CB-OE1 3.39Å; P8-E42 WeakPolarHBondContact CD-OE2 3.09Å; P8-E42 WeakPolarHBondContact CG-OE1 3.22Å; P8-E42 WeakPolarHBondContact O-CG 3.45Å; E42-T44 PolarHBondContact O-N 3.37Å
43E52.6Low60Low158 Ų158109 Ų10974%0.73864%0.639SS**  trans-72.2110169.6-60.5-91.3136.100108.4R10 S45R10-E43 IonicContact NH2-OE1 2.72Å; E43-S45 PolarHBondContact O-N 3.37Å
44T42.8Very low57.7Low129 Ų129106 Ų10679%0.79164%0.636SS**  trans-70.297.1177.358.70000110.2E42 S46E42-T44 PolarHBondContact O-N 3.37Å; T44-S46 PolarHBondContact O-N 3.43Å
45S48.9Very low55.5Low107 Ų107109.9 Ų109.975%0.74866%0.663SS**  trans-73.5104.9166.5-58.90000108.7E43E43-S45 PolarHBondContact O-N 3.37Å
46S38.9Very low53.2Low112 Ų112111.2 Ų111.278%0.78367%0.669SS**  trans-107.386.2166.2-68.30000109T44T44-S46 PolarHBondContact O-N 3.43Å
47E52.7Low50.6Low168 Ų168109.5 Ų109.579%0.78568%0.675SS**  trans-89.5134.2161.755.5-179.2125.400109.3
48N41.9Very low47.9Very low168 Ų168114.9 Ų114.990%0.89870%0.704SS**  trans-155.5110.5163.8-87.1-49.3000112
49G31.5Very low45.5Very low76 Ų76118.7 Ų118.778%0.78472%0.721SS**  trans84.2103.4155.100000117.5
50C33.3Very low42.8Very low127 Ų127119.8 Ų119.886%0.85873%0.731SS**  72.9146.450.4-140.90000113.3
51P50.4Low40.5Very low102 Ų102128.6 Ų128.666%0.66276%0.761SS**  cis-147.6166.214.844.6-24.4000119.4
52S33.3Very low38.5Very low110 Ų110127.9 Ų127.977%0.76976%0.759SS**  trans66144.9145.8-55.70000119.4
53T29.3Very low36.4Very low123 Ų123127.1 Ų127.176%0.75577%0.767SS**  cis-162.5145.917.8410000110.4
54S34.7Very low35.1Very low105 Ų105127.9 Ų127.973%0.73477%0.768SS**  trans55.2143.3142.865.30000124.6
55S30Very low34.4Very low109 Ų109128.9 Ų128.976%0.76276%0.764SS**  trans92.4100.114735.40000121.4
56A31.6Very low33.5Very low90 Ų90130 Ų13074%0.74476%0.761SS**  62134.6118.700000122.6
57S30.9Very low33.1Very low108 Ų108131.7 Ų131.776%0.75576%0.759SS**  trans80.4112.5148.822.40000120.6
58D29.3Very low32.3Very low149 Ų149130.3 Ų130.380%0.79776%0.756SS**  36.3114.2114.6-107.7-47.1000118.5
59Q35.4Very low31.9Very low172 Ų172128.7 Ų128.780%0.80474%0.744SS**  160.9128.3117.6-89.2173.468.800112.8
60N28.4Very low32.3Very low139 Ų139133.3 Ų133.374%0.74374%0.744SS**  trans67.1123.9130.1-1514.7000120.1
61R31.4Very low32.5Very low226 Ų226134.1 Ų134.185%0.85374%0.735SS**  125.9135.5123.2-138.2178.7-178.7-143.1-1.3116.6
62S30.6Very low32.1Very low89 Ų89136.3 Ų136.362%0.62274%0.74SS**  trans-66.7163.4-173.153.60000117.9
63S25.9Very low32Very low102 Ų102140.1 Ų140.171%0.71374%0.744SS**  trans99.8127.9136.3-66.50000120.1
64F26Very low32.3Very low175 Ų175140.3 Ų140.377%0.76875%0.745SS**  trans93117.9136-102.7-108.6000121.3
65E28.2Very low32.2Very low150 Ų150143.7 Ų143.770%0.70175%0.747SS**  trans61131.8138-77.9-171.3127.300123.7
66N29.7Very low32.4Very low129 Ų129144.2 Ų144.269%0.6975%0.747SS**  trans70.7115.8145.5-104.6-47.8000119.3
67M29.7Very low33.1Very low149 Ų149146 Ų14673%0.73475%0.754SS**  -179.6111113.8-160.380.467.500108.8Q69M67-Q69 PolarHBondContact O-N 2.91Å; M67-Q69 VanDerWaalsContact O-N 3.08Å
68D36.2Very low33.9Very low138 Ų138143.6 Ų143.674%0.73875%0.746SS**  trans-58.5107.1162.1-81.1-74.4000109.6
69Q35Very low34.4Very low135 Ų135148 Ų14863%0.63175%0.753SS**  trans-117.691.1171-147.885.376.700108.1M67 H71M67-Q69 PolarHBondContact O-N 2.91Å; M67-Q69 VanDerWaalsContact O-N 3.08Å; Q69-H71 VanDerWaalsContact CG-NE2 3.27Å; Q69-H71 WeakPolarHBondContact CG-NE2 3.34Å; Q69-H71 PolarHBondContact O-CD2 3.41Å; Q69-H71 PolarHBondContact O-N 3.11Å
70H38.8Very low34.7Very low172 Ų172142.5 Ų142.580%0.79674%0.744SS**  trans-56.5106.2167.7-79.6-100.1000110.1
71H37.9Very low35.4Very low145 Ų145142 Ų14267%0.67175%0.748SS**  trans-10494.9170.1-67.5-74.5000110.3Q69Q69-H71 VanDerWaalsContact CG-NE2 3.27Å; Q69-H71 WeakPolarHBondContact CG-NE2 3.34Å; Q69-H71 PolarHBondContact O-CD2 3.41Å; Q69-H71 PolarHBondContact O-N 3.11Å
72L42.8Very low35.4Very low147 Ų147141.2 Ų141.277%0.7775%0.751SS**  trans27.998.6131.4-63.6165.8000116.9
73F30Very low35.7Very low191 Ų191141.7 Ų141.784%0.83876%0.76SS**  trans-118.899.2142.5-87.9-81.8000109.4F75F73-F75 PolarHBondContact O-N 2.77Å
74T36.3Very low36.3Very low126 Ų126145.3 Ų145.377%0.77377%0.771SS**  trans-62.6115.9165.2-65.10000108.9
75F32.3Very low36.6Very low177 Ų177140.5 Ų140.578%0.77677%0.77SS**PPolyproline II helixtrans-85.7140.4166.4-75.4-81.4000110.5F73F73-F75 PolarHBondContact O-N 2.77Å
76P34.7Very low36.7Very low119 Ų119140.2 Ų140.277%0.77377%0.772SS**PPolyproline II helixtrans-61.5135172.3-19.531.4000111.7G78P76-G78 PolarHBondContact O-N 3.23Å
77S46.7Very low36.8Very low128 Ų128143.2 Ų143.290%0.89578%0.779SS**SBendtrans-55125.9177.4-540000112
78G45.8Very low36.7Very low57 Ų57143.8 Ų143.859%0.58879%0.785SS**  trans173.4-11.8167.300000120.4P76P76-G78 PolarHBondContact O-N 3.23Å
79Y39.8Very low36.9Very low241 Ų241146.1 Ų146.195%0.94579%0.792SS**  trans-150.7139174.7-80-83.3000110.6
80G42.3Very low36.8Very low58 Ų58147.2 Ų147.260%0.59880%0.802SS**  trans-66.8163-176.200000114F82G80-F82 PolarHBondContact O-N 3.28Å
81P43.3Very low36.5Very low128 Ų128146.3 Ų146.383%0.83180%0.796SS**  trans-77.3121.9-172.729.5-32.2000112.2
82F31.2Very low36.2Very low210 Ų210147.2 Ų147.292%0.92181%0.806SS**  trans-91.9102.8152.3-65-81.1000107.2G80G80-F82 PolarHBondContact O-N 3.28Å
83A36.5Very low35.9Very low98 Ų98146.4 Ų146.481%0.8180%0.801SS**  trans-90.1103.6173.600000109.5G85A83-G85 PolarHBondContact O-N 2.97Å
84L38.4Very low36.4Very low179 Ų179148.4 Ų148.494%0.93780%0.803SS**  trans-80.597.5156.7-91.3161.3000107.2
85G32.1Very low36.3Very low74 Ų74148 Ų14876%0.76381%0.806SS**  trans-100.8114.9171.700000110.4A83A83-G85 PolarHBondContact O-N 2.97Å
86I31.9Very low36.9Very low143 Ų143151.2 Ų151.273%0.73381%0.812SS**  trans-106.3122.5161.7-77.1-165.2000107.1
87F31.7Very low37.2Very low193 Ų193153.2 Ų153.285%0.84682%0.815SS**  trans41.3118.9168.3-52.2-64.6000120.2
88D27.9Very low37.2Very low161 Ų161152.5 Ų152.586%0.86181%0.81SS**  -154.9135.5117.4-149.1-115.4000111N90D88-N90 PolarHBondContact O-N 2.84Å
89E40.3Very low37.4Very low186 Ų186154.5 Ų154.587%0.86981%0.811SS**  trans-72.6116.7172-77.4-157.2100.200110
90N32.5Very low37.8Very low159 Ų159150.8 Ų150.885%0.8580%0.803SS**  trans-151.9140.3139.2-145.818.1000113.3D88D88-N90 PolarHBondContact O-N 2.84Å
91F33Very low38.2Very low152 Ų152154.7 Ų154.767%0.66781%0.81SS**  trans-77.8124.9-170.1-174.7-96.7000111.1I93F91-I93 HydrophobicContact CD1-CD1 4.36Å; F91-I93 HydrophobicContact CD1-CG1 4.27Å; F91-I93 HydrophobicContact CE1-CD1 3.37Å; F91-I93 HydrophobicContact CE1-CG1 3.74Å; F91-I93 HydrophobicContact CE2-CD1 4.03Å; F91-I93 HydrophobicContact CE2-CG1 4.33Å; F91-I93 HydrophobicContact CZ-CD1 3.19Å; F91-I93 HydrophobicContact CZ-CG1 3.81Å
92D30.5Very low38.7Very low164 Ų164153.8 Ų153.888%0.87780%0.798SS**  trans-142.8110.2154.9-103.9-45.1000113.2R94D92-R94 PolarHBondContact O-N 2.93Å
93I36.8Very low39.9Very low130 Ų130152.5 Ų152.567%0.66779%0.787SS**  trans-76.190.2175.1-67177.4000108.3F91F91-I93 HydrophobicContact CD1-CD1 4.36Å; F91-I93 HydrophobicContact CD1-CG1 4.27Å; F91-I93 HydrophobicContact CE1-CD1 3.37Å; F91-I93 HydrophobicContact CE1-CG1 3.74Å; F91-I93 HydrophobicContact CE2-CD1 4.03Å; F91-I93 HydrophobicContact CE2-CG1 4.33Å; F91-I93 HydrophobicContact CZ-CD1 3.19Å; F91-I93 HydrophobicContact CZ-CG1 3.81Å
94R39.6Very low40.9Very low234 Ų234154.7 Ų154.788%0.88378%0.781SS**  trans-171.575.1151.7-137174.3-174.3175.61.5114.7D92D92-R94 PolarHBondContact O-N 2.93Å
95S34.9Very low42.1Very low118 Ų118148.2 Ų148.283%0.82575%0.753SS**  trans-158.89.4159.8-87.20000116.1L97S95-L97 VanDerWaalsContact C-N 3.27Å; S95-L97 PolarHBondContact O-N 3.16Å
96R44.3Very low43.6Very low244 Ų244150.3 Ų150.392%0.92174%0.743SS**  trans-81.852.9179.7-78-156.1178.1-163.53.1114.9
97L42.5Very low45.3Very low160 Ų160148 Ų14884%0.83873%0.732SS**SBendtrans-14671.5167.3-82.9170.2000109.6S95S95-L97 VanDerWaalsContact C-N 3.27Å; S95-L97 PolarHBondContact O-N 3.16Å
98S45.2Very low47Very low113 Ų113147.4 Ų147.479%0.7972%0.724SS**SBendtrans-169.9-3.1162.9-82.40000115.3
99T49.7Very low48.9Very low99 Ų99147.8 Ų147.861%0.60771%0.713SS**SBendtrans-104.71.9-171.5-28.50000115.1
100E48.7Very low50Low163 Ų163144 Ų14476%0.76270%0.696SS**SBendtrans-91.5-36.7-178.8-66.8-175.1129.800112.8N102 R103E100-N102 VanDerWaalsContact C-N 3.31Å; E100-N102 PolarHBondContact O-N 3.1Å; E100-R103 PolarHBondContact O-N 3.34Å
101D50.4Low51.7Low140 Ų140145.9 Ų145.975%0.74969%0.691SS**Hα-helixtrans-64.3-30.3179.8-94.3-47.7000114A105D101-A105 PolarHBondContact O-N 3.12Å
102N54Low53.1Low109 Ų109144.3 Ų144.358%0.58369%0.686SS**Hα-helixtrans-74.4-31.4-175.8-155.5-2.6000112.1E100 E106E100-N102 VanDerWaalsContact C-N 3.31Å; E100-N102 PolarHBondContact O-N 3.1Å; N102-E106 PolarHBondContact O-N 3.49Å
103R56.8Low54.5Low183 Ų183141.4 Ų141.469%0.69167%0.668SS**Hα-helixtrans-73.3-30.2179.3-87.1-174.5162.3112.5-2.8113.4E100 N107E100-R103 PolarHBondContact O-N 3.34Å; R103-N107 PolarHBondContact O-N 3.31Å; R103-N107 PolarHBondContact O-ND2 3.35Å
104E57.3Low55.5Low145 Ų145137 Ų13768%0.67865%0.651SS**Hα-helixtrans-78.2-32.5177.2-82.1-174.5136.800112.7R108E104-R108 WeakPolarHBondContact O-CB 3.33Å; E104-R108 PolarHBondContact O-N 3.47Å; E104-R108 VanDerWaalsContact O-N 3.11Å
105A64.4Low56.3Low42 Ų42128.9 Ų128.935%0.34763%0.63SS.*Hα-helixtrans-65.7-39.8174.100000112.3D101 R109D101-A105 PolarHBondContact O-N 3.12Å; A105-R109 WeakPolarHBondContact O-CG 3.23Å; A105-R109 PolarHBondContact O-N 2.8Å
106E62.7Low57.3Low118 Ų118133.3 Ų133.355%0.55163%0.628SS**Hα-helixtrans-65.4-49.1176.8-15596.5-126.900111.4N102 R108 R109 E110N102-E106 PolarHBondContact O-N 3.49Å; E106-R108 VanDerWaalsContact C-N 3.27Å; E106-R108 PolarHBondContact O-N 2.93Å; E106-R109 PolarHBondContact O-N 2.84Å; E106-R109 VanDerWaalsContact O-N 3.14Å; E106-E110 PolarHBondContact O-N 3Å
107N67.4Low57.7Low95 Ų95128.8 Ų128.851%0.50862%0.618SS.*Hα-helixtrans-61.9-32.2178.4-87.2-62000113.1R103 R111R103-N107 PolarHBondContact O-N 3.31Å; R103-N107 PolarHBondContact O-ND2 3.35Å; N107-R111 WeakPolarHBondContact O-CB 3.43Å; N107-R111 PolarHBondContact O-N 2.75Å; N107-R111 VanDerWaalsContact O-N 3.08Å
108R67.8Low58.1Low181 Ų181130.7 Ų130.768%0.68361%0.614SS**Hα-helixtrans-68.4-41.7175.8-172.9-178.3-75.8-1293.3111.5E104 E106 R111 E112E104-R108 WeakPolarHBondContact O-CB 3.33Å; E104-R108 PolarHBondContact O-N 3.47Å; E104-R108 VanDerWaalsContact O-N 3.11Å; E106-R108 VanDerWaalsContact C-N 3.27Å; E106-R108 PolarHBondContact O-N 2.93Å; R108-R111 PolarHBondContact O-N 3.1Å; R108-E112 PolarHBondContact O-N 2.98Å
109R69Low58Low169 Ų169135.9 Ų135.964%0.63862%0.618SS**Hα-helixtrans-65.4-40.2176.8-68.6172.8-177.5173.12.6111.6A105 E106 E112 M113A105-R109 WeakPolarHBondContact O-CG 3.23Å; A105-R109 PolarHBondContact O-N 2.8Å; E106-R109 PolarHBondContact O-N 2.84Å; E106-R109 VanDerWaalsContact O-N 3.14Å; R109-E112 PolarHBondContact O-N 3.42Å; R109-M113 WeakPolarHBondContact O-CG 3.48Å; R109-M113 PolarHBondContact O-N 3.13Å
110E63.2Low57.9Low106 Ų106135.6 Ų135.650%0.49562%0.62SS.*Hα-helixtrans-63.8-39.9176.2179.7153.6-145.600112.6E106 M113 A114E106-E110 PolarHBondContact O-N 3Å; E110-M113 HydrophobicContact CB-CE 3.97Å; E110-M113 HydrophobicContact CG-CE 3.59Å; E110-M113 WeakPolarHBondContact O-CG 3.38Å; E110-A114 WeakPolarHBondContact O-CB 3.17Å; E110-A114 PolarHBondContact O-N 3.07Å; E110-A114 VanDerWaalsContact O-N 3.08Å
111R68.3Low57.7Low199 Ų199132.4 Ų132.475%0.75162%0.621SS**Hα-helixtrans-70-34.8176.2-164.6171.7-71.5-170.9-0.9112.6N107 R108 S115N107-R111 WeakPolarHBondContact O-CB 3.43Å; N107-R111 PolarHBondContact O-N 2.75Å; N107-R111 VanDerWaalsContact O-N 3.08Å; R108-R111 PolarHBondContact O-N 3.1Å; R111-S115 PolarHBondContact O-N 2.89Å
112E62.1Low57.3Low119 Ų119137.7 Ų137.756%0.55663%0.631SS**Hα-helixtrans-69.1-40.7174.9-78.9178.7172.100112.3R108 R109 S115 R116R108-E112 PolarHBondContact O-N 2.98Å; R109-E112 PolarHBondContact O-N 3.42Å; E112-S115 PolarHBondContact O-N 3.44Å; E112-S115 PolarHBondContact O-OG 2.81Å; E112-R116 PolarHBondContact O-N 2.72Å
113M59Low56.9Low103 Ų103141.4 Ų141.451%0.50765%0.645SS.*Hα-helixtrans-67.8-38.417665.2179.2-163.700112.9R109 E110 S115 R116 Q117R109-M113 WeakPolarHBondContact O-CG 3.48Å; R109-M113 PolarHBondContact O-N 3.13Å; E110-M113 HydrophobicContact CB-CE 3.97Å; E110-M113 HydrophobicContact CG-CE 3.59Å; E110-M113 WeakPolarHBondContact O-CG 3.38Å; M113-S115 VanDerWaalsContact C-N 3.26Å; M113-S115 PolarHBondContact O-N 2.83Å; M113-R116 PolarHBondContact O-N 3.27Å; M113-Q117 PolarHBondContact O-N 3.2Å
114A58.1Low56Low37 Ų37138.8 Ų138.831%0.30665%0.651SS.*Hα-helixtrans-69-22.2176.300000113.4E110E110-A114 WeakPolarHBondContact O-CB 3.17Å; E110-A114 PolarHBondContact O-N 3.07Å; E110-A114 VanDerWaalsContact O-N 3.08Å
115S56Low55.1Low63 Ų63144 Ų14444%0.44167%0.665SS.*Hα-helixtrans-77.7-34.1174.279.40000112.3R111 E112 M113 R118R111-S115 PolarHBondContact O-N 2.89Å; E112-S115 PolarHBondContact O-N 3.44Å; E112-S115 PolarHBondContact O-OG 2.81Å; M113-S115 VanDerWaalsContact C-N 3.26Å; M113-S115 PolarHBondContact O-N 2.83Å; S115-R118 PolarHBondContact O-N 2.79Å
116R56.2Low53.8Low211 Ų211145.1 Ų145.180%0.79668%0.68SS**Hα-helixtrans-72.1-31.6178.9-75.9-179.9155.5-171.4-5.2113E112 M113 R118E112-R116 PolarHBondContact O-N 2.72Å; M113-R116 PolarHBondContact O-N 3.27Å; R116-R118 VanDerWaalsContact C-N 3.31Å; R116-R118 PolarHBondContact O-N 2.83Å
117Q52.2Low52.6Low149 Ų149151.1 Ų151.170%0.69670%0.698SS**G310 helixtrans-74.8-16.3177.3-82.9159.3-20.500114.1M113M113-Q117 PolarHBondContact O-N 3.2Å
118R50.9Low51.1Low201 Ų201155.3 Ų155.376%0.75871%0.714SS**G310 helixtrans-81.7-10.3-178-105.6-178.7-82.5178-9.1115S115 R116S115-R118 PolarHBondContact O-N 2.79Å; R116-R118 VanDerWaalsContact C-N 3.31Å; R116-R118 PolarHBondContact O-N 2.83Å
119Y43.4Very low49.7Very low221 Ų221152.6 Ų152.687%0.86772%0.717SS**G310 helixtrans-105.62.3-177.4-90.2-83.1000115.7
120S48.9Very low48Very low94 Ų94150.3 Ų150.366%0.65772%0.724SS**SBendtrans-121.664.9-179.261.80000113
121A42.9Very low46.5Very low95 Ų95155.8 Ų155.879%0.78574%0.74SS**  trans-161.977.716200000111.9
122R43.4Very low45Very low251 Ų251157.5 Ų157.595%0.94775%0.747SS**  trans-120.3107.1150-76.7-170.3-169.9-1422.9107.7
123Q45.1Very low43.7Very low188 Ų188160.2 Ų160.288%0.87976%0.759SS**  trans-124.9149.3163.9-74.6-166.712.500109.4
124P38.4Very low42.3Very low128 Ų128158.7 Ų158.783%0.83177%0.77SS**  trans-83.2153.6-162.433.1-33.9000113.7G126P124-G126 PolarHBondContact O-N 2.97Å
125R38.3Very low41.4Very low254 Ų254162.2 Ų162.296%0.95879%0.793SS**  trans-69.3115.1177.1-77.5179.8170.2169.1-3.7111.6
126G37Very low40.2Very low65 Ų65170 Ų17067%0.6781%0.812SS**PPolyproline II helixtrans-83.8138.6164.100000111.9P124P124-G126 PolarHBondContact O-N 2.97Å
127R36.5Very low39.3Very low244 Ų244166.4 Ų166.492%0.92181%0.805SS**PPolyproline II helixtrans-82.9118.9-177.5-172.2-178.4-166.2-178.44109.9
128H36.8Very low38.8Very low184 Ų184168.7 Ų168.785%0.85282%0.815SS**PPolyproline II helixtrans-103.9125.7170.9-77.1-76.3000111.4
129V36.9Very low38.2Very low124 Ų124162.5 Ų162.575%0.75281%0.814SS**PPolyproline II helixtrans-81.1138.3170.31760000108.5
130P35.1Very low38.5Very low121 Ų121158.4 Ų158.479%0.78681%0.811SS**PPolyproline II helixtrans-82.6122.3177.531.9-29.4000110.4
131R30.6Very low38.6Very low220 Ų220158.7 Ų158.783%0.8381%0.811SS**PPolyproline II helixtrans-89.3116.2167.3-174.7170.6-179.3170.8-0.7108.5
132R36.2Very low39.3Very low235 Ų235158.8 Ų158.889%0.88780%0.802SS**PPolyproline II helixtrans-72.9128.8168.6-79.6-176.1175.8-167.9-0.9110.4
133Q36.6Very low39.7Very low176 Ų176153 Ų15382%0.82279%0.789SS**  trans173.5130.3153.1-101.8164.27.700103.9
134G29.4Very low40Very low71 Ų71151 Ų15173%0.73278%0.78SS**  cis158124.914.900000102.6R136G134-R136 PolarHBondContact O-N 2.81Å
135S39.2Very low40.8Very low112 Ų112146.5 Ų146.578%0.78376%0.757SS**  trans-42.2121-177.9163.50000113.7
136R30.5Very low41.6Very low225 Ų225139 Ų13985%0.84974%0.735SS**  trans-143.7118.2146.9-73.3-160169.8-173.1-5.1111.4G134G134-R136 PolarHBondContact O-N 2.81Å
137H36.6Very low42.4Very low137 Ų137140.4 Ų140.463%0.63473%0.726SS**  trans-34.5135.3159.123.5-97.3000115.4
138E42.4Very low43.2Very low197 Ų197134.2 Ų134.292%0.92171%0.707SS**  62116.6119.4-142.3169.3-170.800118.8
139G37.7Very low44Very low70 Ų70133.2 Ų133.272%0.72270%0.703SS**  trans176.5103.9168.800000111.1
140V49Very low44.9Very low135 Ų135133 Ų13382%0.81870%0.697SS**PPolyproline II helixtrans-55.8129.8164.61770000107.6T142V140-T142 PolarHBondContact O-N 3.24Å; V140-T142 VanDerWaalsContact O-N 3.1Å
141P51Low45.8Very low101 Ų101130.1 Ų130.166%0.65668%0.677SS**PPolyproline II helixtrans-66.6116.9178.626.3-30.8000108.6
142T57.9Low46.8Very low96 Ų96125.2 Ų125.259%0.58967%0.668SS**PPolyproline II helixtrans-65.6150.417154.50000109.1V140 E144 G145V140-T142 PolarHBondContact O-N 3.24Å; V140-T142 VanDerWaalsContact O-N 3.1Å; T142-E144 PolarHBondContact O-N 2.91Å; T142-G145 PolarHBondContact O-N 3.03Å
143L51.7Low47.5Very low131 Ų131117.4 Ų117.469%0.68666%0.66SS**Hα-helixtrans-49.7-27.3177.6-175.363.7000112.7I146 I147L143-I146 PolarHBondContact O-N 3.37Å; L143-I147 HydrophobicContact CG-CD1 4.44Å; L143-I147 WeakPolarHBondContact O-CG1 3.27Å; L143-I147 PolarHBondContact O-N 3.16Å
144E52.8Low48.2Very low145 Ų145115.2 Ų115.268%0.67865%0.652SS**Hα-helixtrans-71.1-28.7178.3-50.7-161.3-175.500113.2T142 I146 I147 Q148T142-E144 PolarHBondContact O-N 2.91Å; E144-I146 VanDerWaalsContact C-N 3.31Å; E144-I146 PolarHBondContact O-N 3.12Å; E144-I147 PolarHBondContact O-N 3.05Å; E144-Q148 PolarHBondContact O-N 3.29Å
145G54Low49Very low34 Ų34117.9 Ų117.935%0.35165%0.648SS.*Hα-helixtrans-68.2-29.2173.500000113.4T142 Q149T142-G145 PolarHBondContact O-N 3.03Å; G145-Q149 PolarHBondContact O-N 3.11Å
146I56.3Low49.1Very low97 Ų97116.9 Ų116.950%0.49765%0.647SS.*Hα-helixtrans-76.6-39.1177.4-57.1173.5000110.1L143 E144 L150L143-I146 PolarHBondContact O-N 3.37Å; E144-I146 VanDerWaalsContact C-N 3.31Å; E144-I146 PolarHBondContact O-N 3.12Å; I146-L150 PolarHBondContact O-N 3.45Å
147I53.9Low50.1Low93 Ų93112.2 Ų112.248%0.47765%0.646SS.*Hα-helixtrans-70.1-38.6178.3-62168000111.1L143 E144 Q149 L150 V151L143-I147 HydrophobicContact CG-CD1 4.44Å; L143-I147 WeakPolarHBondContact O-CG1 3.27Å; L143-I147 PolarHBondContact O-N 3.16Å; E144-I147 PolarHBondContact O-N 3.05Å; I147-Q149 VanDerWaalsContact C-N 3.31Å; I147-Q149 PolarHBondContact O-N 3.19Å; I147-L150 WeakPolarHBondContact O-CB 3.43Å; I147-L150 PolarHBondContact O-N 3.4Å; I147-L150 VanDerWaalsContact O-N 3.1Å; I147-V151 HydrophobicContact CG2-CG2 4.35Å; I147-V151 WeakPolarHBondContact O-CG2 3.4Å; I147-V151 PolarHBondContact O-N 3.4Å; I147-V151 VanDerWaalsContact O-N 3.07Å
148Q52.2Low50Low114 Ų114110.3 Ų110.353%0.53365%0.654SS.*Hα-helixtrans-67.9-30.3179.2-137.991.671.300113E144 L150 N152E144-Q148 PolarHBondContact O-N 3.29Å; Q148-L150 VanDerWaalsContact C-N 3.31Å; Q148-N152 WeakPolarHBondContact O-CB 3.42Å; Q148-N152 PolarHBondContact O-N 3.25Å
149Q54.6Low49.6Very low163 Ų163105.3 Ų105.376%0.76265%0.646SS**Hα-helixtrans-70.6-27.8171.9-78.9-178.3-11.200112.6G145 I147G145-Q149 PolarHBondContact O-N 3.11Å; I147-Q149 VanDerWaalsContact C-N 3.31Å; I147-Q149 PolarHBondContact O-N 3.19Å
150L55.2Low49.9Very low121 Ų121110.5 Ų110.563%0.63465%0.654SS**Hα-helixtrans-76.1-40.2176.4-147.3105.2000112.2I146 I147 Q148 I154I146-L150 PolarHBondContact O-N 3.45Å; I147-L150 WeakPolarHBondContact O-CB 3.43Å; I147-L150 PolarHBondContact O-N 3.4Å; I147-L150 VanDerWaalsContact O-N 3.1Å; Q148-L150 VanDerWaalsContact C-N 3.31Å; L150-I154 VanDerWaalsContact O-CD1 3.29Å; L150-I154 WeakPolarHBondContact O-CD1 3.1Å; L150-I154 WeakPolarHBondContact O-CG1 3.47Å
151V53.3Low49.8Very low59 Ų59109.3 Ų109.336%0.35865%0.649SS.*Hα-helixtrans-80.1-36.5-174.8176.50000112.6I147 G153 I154 I155I147-V151 HydrophobicContact CG2-CG2 4.35Å; I147-V151 WeakPolarHBondContact O-CG2 3.4Å; I147-V151 PolarHBondContact O-N 3.4Å; I147-V151 VanDerWaalsContact O-N 3.07Å; V151-G153 VanDerWaalsContact C-N 3.26Å; V151-G153 PolarHBondContact O-N 3.41Å; V151-I154 PolarHBondContact O-N 2.88Å; V151-I154 VanDerWaalsContact O-N 3.14Å; V151-I155 HydrophobicContact CG1-CD1 4.23Å; V151-I155 PolarHBondContact O-N 3.15Å
152N51.7Low49.7Very low118 Ų118111.9 Ų111.963%0.63166%0.657SS**THydrogen-bonded Turntrans-74.6-13.8179.7-70.3-9.3000113.7Q148 I154Q148-N152 WeakPolarHBondContact O-CB 3.42Å; Q148-N152 PolarHBondContact O-N 3.25Å; N152-I154 VanDerWaalsContact C-N 3.34Å
153G51.5Low49Very low70 Ų70113.9 Ų113.972%0.72267%0.669SS**THydrogen-bonded Turntrans-81.2-12.9169.700000114V151V151-G153 VanDerWaalsContact C-N 3.26Å; V151-G153 PolarHBondContact O-N 3.41Å
154I51.1Low48.7Very low130 Ų130111.4 Ų111.467%0.66768%0.675SS**THydrogen-bonded Turntrans-103.5-23.3-173.6-62.8170.9000111.8L150 V151 N152L150-I154 VanDerWaalsContact O-CD1 3.29Å; L150-I154 WeakPolarHBondContact O-CD1 3.1Å; L150-I154 WeakPolarHBondContact O-CG1 3.47Å; V151-I154 PolarHBondContact O-N 2.88Å; V151-I154 VanDerWaalsContact O-N 3.14Å; N152-I154 VanDerWaalsContact C-N 3.34Å
155I47.4Very low48.5Very low127 Ų127112.6 Ų112.665%0.65168%0.683SS**  trans-125.178-172-46.1176.4000111.2V151V151-I155 HydrophobicContact CG1-CD1 4.23Å; V151-I155 PolarHBondContact O-N 3.15Å
156A40.6Very low48.5Very low92 Ų92113.1 Ų113.176%0.7669%0.689SS**  trans-129.6116.4155.600000108.7
157P51.2Low48.3Very low127 Ų127115.3 Ų115.383%0.82571%0.709SS**  trans-92.7119.7-178.233.6-27.4000110
158A35.2Very low48.1Very low96 Ų96121.2 Ų121.279%0.79373%0.725SS**  trans-16296.7156.900000112.5
159A33.4Very low48Very low92 Ų92118.4 Ų118.476%0.7673%0.727SS**  trans52.3110.5135.200000121.8
160M43.6Very low47.8Very low180 Ų180117.8 Ų117.889%0.88773%0.726SS**  trans76.7158.2136.3-61.1-60-16100117.9
161P48Very low47.5Very low109 Ų109118.6 Ų118.671%0.70873%0.73SS**  -119.9166.1-105.920.25000113.9
162N47.8Very low47.4Very low156 Ų156123.4 Ų123.483%0.83475%0.748SS**  trans60.870153.7-16650.1000117.4
163T43.8Very low47.4Very low138 Ų138120.4 Ų120.485%0.84774%0.737SS**  trans-163.8118.9134.4-10.50000108.6M165T163-M165 PolarHBondContact O-N 2.93Å; T163-M165 VanDerWaalsContact O-N 3.08Å
164G45.2Very low47.7Very low78 Ų78123.1 Ų123.180%0.80473%0.734SS**  trans-68.5103.7177.600000111.1
165M49.2Very low47.9Very low170 Ų170122.6 Ų122.684%0.83774%0.74SS**  trans-162.489163.4-147.965.7151.800110.2T163T163-M165 PolarHBondContact O-N 2.93Å; T163-M165 VanDerWaalsContact O-N 3.08Å
166G54.5Low48.2Very low46 Ų46124.8 Ų124.847%0.47475%0.749SS.*  trans-88.3167.5166.600000111.6W168G166-W168 CarbonylContact O-C 3.56Å; G166-W168 PolarHBondContact O-N 3.31Å
167P50.6Low48.8Very low142 Ų142124.9 Ų124.992%0.92274%0.737SS**SBendtrans-64.2-10.7-179.1-19.231.7000114.7
168W50.5Low49.2Very low218 Ų218125.5 Ų125.583%0.82672%0.724SS**SBendtrans-111.2111.1168.2-80.260.8000106.3G166G166-W168 CarbonylContact O-C 3.56Å; G166-W168 PolarHBondContact O-N 3.31Å
169G50.2Low50.1Low55 Ų55123.1 Ų123.157%0.56770%0.704SS**  trans-56.2161.1-177.200000113.3L171G169-L171 PolarHBondContact O-N 2.53Å
170M49.6Very low51.3Low149 Ų149129.4 Ų129.473%0.73471%0.708SS**  trans8.887.2168.4-130.588.1-177.900115.5H172M170-H172 VanDerWaalsContact CB-CE1 3.49Å; M170-H172 WeakPolarHBondContact CB-CE1 3.46Å; M170-H172 PolarHBondContact O-N 3.42Å; M170-H172 VanDerWaalsContact O-N 3.12Å; M170-H172 PolarHBondContact O-ND1 3.39Å
171L49.8Very low52.2Low138 Ų138122 Ų12272%0.72368%0.678SS**  trans-71.1104.2169.9-62.7177000108G169 S173G169-L171 PolarHBondContact O-N 2.53Å; L171-S173 VanDerWaalsContact C-N 3.31Å; L171-S173 PolarHBondContact O-N 3.48Å
172H51.3Low52.5Low161 Ų161121.4 Ų121.475%0.74568%0.682SS**  trans-8312-170.2-81.694.2000115.5M170M170-H172 VanDerWaalsContact CB-CE1 3.49Å; M170-H172 WeakPolarHBondContact CB-CE1 3.46Å; M170-H172 PolarHBondContact O-N 3.42Å; M170-H172 VanDerWaalsContact O-N 3.12Å; M170-H172 PolarHBondContact O-ND1 3.39Å
173S50.8Low53.2Low55 Ų55120.2 Ų120.239%0.38568%0.676SS.*SBendtrans-170162.5173.447.30000113.5L171 Y178L171-S173 VanDerWaalsContact C-N 3.31Å; L171-S173 PolarHBondContact O-N 3.48Å; S173-Y178 PolarHBondContact OG-OH 3.49Å
174N57.4Low54.3Low126 Ų126114.4 Ų114.467%0.67464%0.644SS**  trans-52.2136179.4-76.3-20.7000111.7M176 D177N174-M176 PolarHBondContact O-N 2.86Å; N174-D177 WeakPolarHBondContact O-CB 3.11Å; N174-D177 PolarHBondContact O-N 3.09Å; N174-D177 VanDerWaalsContact O-N 3.07Å
175P56.2Low55.5Low120 Ų120115.1 Ų115.178%0.77963%0.629SS**THydrogen-bonded Turntrans-64.5-9.3-177.926.9-35.5000114.1D177P175-D177 VanDerWaalsContact C-N 3.34Å
176M54.3Low56.4Low173 Ų173111.9 Ų111.985%0.85262%0.615SS**THydrogen-bonded Turntrans-84.6-7177.6-158.4155.1-18000113.3N174N174-M176 PolarHBondContact O-N 2.86Å
177D51.7Low56.9Low94 Ų94112.5 Ų112.550%0.50362%0.615SS.*SBendtrans-96-11-171.5-146.217.6000113.6N174 P175 G181N174-D177 WeakPolarHBondContact O-CB 3.11Å; N174-D177 PolarHBondContact O-N 3.09Å; N174-D177 VanDerWaalsContact O-N 3.07Å; P175-D177 VanDerWaalsContact C-N 3.34Å; D177-G181 PolarHBondContact O-N 2.98Å
178Y60.5Low57.8Low140 Ų140109.3 Ų109.355%0.54959%0.589SS.*THydrogen-bonded Turntrans-78.5-19.9-177.4-68.4-83.8000113.8S173S173-Y178 PolarHBondContact OG-OH 3.49Å
179A54.6Low58.9Low46 Ų46102.9 Ų102.938%0.3857%0.571SS.*THydrogen-bonded Turntrans-89.9-27.5177.200000112.8L185A179-L185 WeakPolarHBondContact O-CD2 3.1Å
180W57.3Low59.8Low224 Ų224104 Ų10485%0.84857%0.566SS**THydrogen-bonded Turntrans-123.28.8-166.5-72.623.1000114
181G62.5Low60.5Low23 Ų23102.7 Ų102.724%0.23756%0.558CS.*SBendtrans-76.1159.4172.100000113.2D177 N183 G184D177-G181 PolarHBondContact O-N 2.98Å; G181-N183 PolarHBondContact O-N 3.49Å; G181-G184 PolarHBondContact O-N 3.38Å
182A54.8Low61.3Low97 Ų97100 Ų10080%0.80254%0.544SS*.THydrogen-bonded Turntrans-55.6-12.6-17300000116.2
183N62Low61.9Low131 Ų13197 Ų9770%0.70153%0.533SS*.THydrogen-bonded Turntrans-124.4-6.5178.1-5877.7000112.9G181 A187G181-N183 PolarHBondContact O-N 3.49Å; N183-A187 PolarHBondContact O-N 3.04Å
184G68.1Low62.6Low17 Ų1798.6 Ų98.618%0.17554%0.537CS..Hα-helixtrans-77-41.1-17800000111.9G181 A187 I188G181-G184 PolarHBondContact O-N 3.38Å; G184-A187 PolarHBondContact O-N 3.35Å; G184-I188 WeakPolarHBondContact O-CD1 3.24Å; G184-I188 VanDerWaalsContact O-CG1 3.23Å; G184-I188 WeakPolarHBondContact O-CG1 3Å; G184-I188 PolarHBondContact O-N 3.37Å
185L70.1Confident62.6Low93 Ų9397.6 Ų97.649%0.48753%0.529SS..Hα-helixtrans-64.8-43175.3-70.8172.2000111.6A179 A187 I188 I189A179-L185 WeakPolarHBondContact O-CD2 3.1Å; L185-A187 VanDerWaalsContact C-N 3.32Å; L185-A187 PolarHBondContact O-N 2.73Å; L185-I188 PolarHBondContact O-N 3.49Å; L185-I189 WeakPolarHBondContact O-CB 3.36Å; L185-I189 WeakPolarHBondContact O-CD1 3.27Å; L185-I189 WeakPolarHBondContact O-CG1 3.23Å; L185-I189 PolarHBondContact O-N 2.77Å
186D66.8Low62.6Low102 Ų10299.8 Ų99.855%0.54553%0.526SS..Hα-helixtrans-63.7-36.6177.8-88-3.5000112.7T190D186-T190 VanDerWaalsContact O-CB 3.24Å; D186-T190 WeakPolarHBondContact O-CB 3.44Å; D186-T190 PolarHBondContact O-N 3.46Å; D186-T190 PolarHBondContact O-OG1 3.11Å
187A65.8Low62.7Low58 Ų5897.9 Ų97.948%0.47952%0.515SS..Hα-helixtrans-67.4-40174.500000111.8N183 G184 L185 Q191N183-A187 PolarHBondContact O-N 3.04Å; G184-A187 PolarHBondContact O-N 3.35Å; L185-A187 VanDerWaalsContact C-N 3.32Å; L185-A187 PolarHBondContact O-N 2.73Å; A187-Q191 VanDerWaalsContact O-CB 3.24Å; A187-Q191 WeakPolarHBondContact O-CB 3.34Å; A187-Q191 PolarHBondContact O-N 3.37Å
188I70.1Confident62.9Low75 Ų7599.5 Ų99.539%0.38552%0.524SS..Hα-helixtrans-67.8-43.1176-66.4163.8000110.6G184 L185 Q191 L192G184-I188 WeakPolarHBondContact O-CD1 3.24Å; G184-I188 VanDerWaalsContact O-CG1 3.23Å; G184-I188 WeakPolarHBondContact O-CG1 3Å; G184-I188 PolarHBondContact O-N 3.37Å; L185-I188 PolarHBondContact O-N 3.49Å; I188-Q191 PolarHBondContact O-N 3.23Å; I188-L192 HydrophobicContact CG2-CD1 3.81Å; I188-L192 HydrophobicContact CG2-CG 4.35Å; I188-L192 WeakPolarHBondContact O-CB 3.37Å; I188-L192 VanDerWaalsContact O-CG 3.26Å; I188-L192 WeakPolarHBondContact O-CG 3.17Å; I188-L192 PolarHBondContact O-N 2.91Å
189I72Confident62.4Low84 Ų8498.2 Ų98.243%0.43153%0.531SS..Hα-helixtrans-63-46.5177.2-69.8163000110.4L185 Q191 L192 L193L185-I189 WeakPolarHBondContact O-CB 3.36Å; L185-I189 WeakPolarHBondContact O-CD1 3.27Å; L185-I189 WeakPolarHBondContact O-CG1 3.23Å; L185-I189 PolarHBondContact O-N 2.77Å; I189-Q191 VanDerWaalsContact C-N 3.28Å; I189-Q191 PolarHBondContact O-N 3.48Å; I189-L192 PolarHBondContact O-N 3.3Å; I189-L193 HydrophobicContact CG2-CD1 3.7Å; I189-L193 HydrophobicContact CG2-CG 4.34Å; I189-L193 WeakPolarHBondContact O-CB 3.1Å; I189-L193 VanDerWaalsContact O-CG 3.28Å; I189-L193 WeakPolarHBondContact O-CG 3.24Å; I189-L193 PolarHBondContact O-N 3.31Å
190T69.7Low62.4Low77 Ų7798.1 Ų98.147%0.47253%0.534SS..Hα-helixtrans-64.8-34.1178.7-56.30000111.8D186 N194D186-T190 VanDerWaalsContact O-CB 3.24Å; D186-T190 WeakPolarHBondContact O-CB 3.44Å; D186-T190 PolarHBondContact O-N 3.46Å; D186-T190 PolarHBondContact O-OG1 3.11Å; T190-N194 WeakPolarHBondContact O-CB 3.49Å; T190-N194 PolarHBondContact O-N 2.86Å; T190-N194 PolarHBondContact O-ND2 2.8Å
191Q65.6Low62Low122 Ų12292.6 Ų92.657%0.5753%0.527SS*.Hα-helixtrans-75.4-37.5176.6-173.1150.4-200112.4A187 I188 I189 Q195A187-Q191 VanDerWaalsContact O-CB 3.24Å; A187-Q191 WeakPolarHBondContact O-CB 3.34Å; A187-Q191 PolarHBondContact O-N 3.37Å; I188-Q191 PolarHBondContact O-N 3.23Å; I189-Q191 VanDerWaalsContact C-N 3.28Å; I189-Q191 PolarHBondContact O-N 3.48Å; Q191-Q195 VanDerWaalsContact O-CB 3.3Å; Q191-Q195 WeakPolarHBondContact O-CB 3.07Å; Q191-Q195 VanDerWaalsContact O-CG 3.24Å; Q191-Q195 WeakPolarHBondContact O-CG 3.45Å; Q191-Q195 PolarHBondContact O-N 2.93Å
192L64.8Low61.4Low82 Ų8297 Ų9743%0.42955%0.551SS.*Hα-helixtrans-65.9-45.1172.6-73.7168.8000111.1I188 I189 Q195 F196I188-L192 HydrophobicContact CG2-CD1 3.81Å; I188-L192 HydrophobicContact CG2-CG 4.35Å; I188-L192 WeakPolarHBondContact O-CB 3.37Å; I188-L192 VanDerWaalsContact O-CG 3.26Å; I188-L192 WeakPolarHBondContact O-CG 3.17Å; I188-L192 PolarHBondContact O-N 2.91Å; I189-L192 PolarHBondContact O-N 3.3Å; L192-Q195 PolarHBondContact O-N 2.86Å; L192-F196 WeakPolarHBondContact O-CD2 3.49Å; L192-F196 PolarHBondContact O-N 3.33Å
193L65.5Low61.1Low99 Ų9997.2 Ų97.252%0.51855%0.545SS..Hα-helixtrans-61.5-47.2177.2-72.1168.3000111.6I189 Q195 F196 E197I189-L193 HydrophobicContact CG2-CD1 3.7Å; I189-L193 HydrophobicContact CG2-CG 4.34Å; I189-L193 WeakPolarHBondContact O-CB 3.1Å; I189-L193 VanDerWaalsContact O-CG 3.28Å; I189-L193 WeakPolarHBondContact O-CG 3.24Å; I189-L193 PolarHBondContact O-N 3.31Å; L193-Q195 VanDerWaalsContact C-N 3.28Å; L193-Q195 PolarHBondContact O-N 3.36Å; L193-F196 PolarHBondContact O-N 3.29Å; L193-E197 WeakPolarHBondContact O-CB 3.11Å; L193-E197 VanDerWaalsContact O-CG 3.29Å; L193-E197 WeakPolarHBondContact O-CG 3.35Å; L193-E197 PolarHBondContact O-N 2.92Å
194N64.4Low60.4Low87 Ų8792.6 Ų92.647%0.46553%0.525SS..Hα-helixtrans-64.7-29.3176.1-86.5-62.6000113.7T190 N198T190-N194 WeakPolarHBondContact O-CB 3.49Å; T190-N194 PolarHBondContact O-N 2.86Å; T190-N194 PolarHBondContact O-ND2 2.8Å; N194-N198 PolarHBondContact O-ND2 3.48Å
195Q57.7Low59.8Low105 Ų10596.9 Ų96.949%0.49154%0.544SS..Hα-helixtrans-79.4-34176.3-77.9179.9-21.800112.8Q191 L192 L193 T199Q191-Q195 VanDerWaalsContact O-CB 3.3Å; Q191-Q195 WeakPolarHBondContact O-CB 3.07Å; Q191-Q195 VanDerWaalsContact O-CG 3.24Å; Q191-Q195 WeakPolarHBondContact O-CG 3.45Å; Q191-Q195 PolarHBondContact O-N 2.93Å; L192-Q195 PolarHBondContact O-N 2.86Å; L193-Q195 VanDerWaalsContact C-N 3.28Å; L193-Q195 PolarHBondContact O-N 3.36Å; Q195-T199 PolarHBondContact O-N 2.78Å; Q195-T199 PolarHBondContact O-OG1 3Å
196F55.6Low59.3Low167 Ų16797.7 Ų97.773%0.73254%0.543SS*.Hα-helixtrans-73.8-29.1174.7-91.4-88.7000112.7L192 L193 N198L192-F196 WeakPolarHBondContact O-CD2 3.49Å; L192-F196 PolarHBondContact O-N 3.33Å; L193-F196 PolarHBondContact O-N 3.29Å; F196-N198 VanDerWaalsContact C-N 3.34Å; F196-N198 PolarHBondContact O-N 3.24Å
197E56.2Low58.8Low133 Ų133100.6 Ų100.662%0.62155%0.553SS**Hα-helixtrans-73.8-20.8178.3-73.3175.5176.300113.9L193L193-E197 WeakPolarHBondContact O-CB 3.11Å; L193-E197 VanDerWaalsContact O-CG 3.29Å; L193-E197 WeakPolarHBondContact O-CG 3.35Å; L193-E197 PolarHBondContact O-N 2.92Å
198N56.9Low58.4Low127 Ų127104.5 Ų104.568%0.67956%0.556SS**Hα-helixtrans-120.24.8-171.3-66.2-74.1000115.6N194 F196N194-N198 PolarHBondContact O-ND2 3.48Å; F196-N198 VanDerWaalsContact C-N 3.34Å; F196-N198 PolarHBondContact O-N 3.24Å
199T49.4Very low58Low114 Ų114101.1 Ų101.170%0.69954%0.539SS*.  trans-111.840.9179.4-32.90000112.1Q195Q195-T199 PolarHBondContact O-N 2.78Å; Q195-T199 PolarHBondContact O-OG1 3Å
200G54.4Low57.4Low43 Ų43104.4 Ų104.444%0.44355%0.55SS..PPolyproline II helixtrans-80.6137.1165.600000110.3
201P48.7Very low57Low109 Ų109105 Ų10571%0.70856%0.557SS**PPolyproline II helixtrans-50.1153.7162.3-20.130.9000110.2
202P51.5Low57Low115 Ų115100.4 Ų100.475%0.74754%0.536SS*.SBendtrans-49.1143.4-178.722.8-34.3000110.9A204P202-A204 PolarHBondContact O-N 3.36Å
203P47.8Very low57.2Low102 Ų102100.3 Ų100.366%0.66254%0.54SS*.PPolyproline II helixtrans-49.7126.6-171.221.2-34000109.9D205P203-D205 PolarHBondContact O-N 2.93Å
204A48.2Very low57.5Low34 Ų3498.9 Ų98.928%0.28154%0.536SS..PPolyproline II helixtrans-51.4130.5173.500000108.8P202 K206 I209P202-A204 PolarHBondContact O-N 3.36Å; A204-K206 PolarHBondContact O-N 3.09Å; A204-I209 HydrophobicContact CB-CD1 4.34Å
205D54.6Low58Low106 Ų10697.8 Ų97.857%0.56753%0.529SS*.  trans-52.6111.3-178.8-64.5-53.8000109.2P203 E207 R208 I209P203-D205 PolarHBondContact O-N 2.93Å; D205-E207 PolarHBondContact O-N 3.14Å; D205-R208 HydrophobicContact CB-CB 4.46Å; D205-R208 HydrophobicContact CB-CG 4.1Å; D205-R208 WeakPolarHBondContact O-CA 3.31Å; D205-R208 WeakPolarHBondContact O-CB 3.45Å; D205-R208 PolarHBondContact O-N 2.9Å; D205-I209 PolarHBondContact O-N 3.04Å
206K59.8Low58.9Low111 Ų11196.2 Ų96.248%0.48353%0.53SS..Hα-helixtrans-54-23.3179.8-59.9179.6-176.7-112.10111.6A204 I209 K210 E260A204-K206 PolarHBondContact O-N 3.09Å; K206-I209 PolarHBondContact O-N 3.21Å; K206-K210 WeakPolarHBondContact O-CB 3.14Å; K206-K210 VanDerWaalsContact O-CG 3.24Å; K206-K210 WeakPolarHBondContact O-CG 3.44Å; K206-K210 PolarHBondContact O-N 2.8Å; K206-E260 IonicContact NZ-OE1 3.48Å; K206-E260 PolarHBondContact NZ-OE1 3.25Å; K206-E260 IonicContact NZ-OE2 2.73Å
207E55.3Low59.7Low162 Ų16288.5 Ų88.576%0.75750%0.497SS*.Hα-helixtrans-67.8-38.3173.9-56.7-163.4165.300113D205 K210 S211D205-E207 PolarHBondContact O-N 3.14Å; E207-K210 PolarHBondContact O-N 3.34Å; E207-S211 PolarHBondContact O-N 3.28Å; E207-S211 PolarHBondContact O-OG 3.11Å
208R57.3Low60.4Low140 Ų14085.3 Ų85.353%0.52849%0.486SS..Hα-helixtrans-67.6-39.6173.4-67.8-177.969-169.1-3111D205 K210 S211 S273D205-R208 HydrophobicContact CB-CB 4.46Å; D205-R208 HydrophobicContact CB-CG 4.1Å; D205-R208 WeakPolarHBondContact O-CA 3.31Å; D205-R208 WeakPolarHBondContact O-CB 3.45Å; D205-R208 PolarHBondContact O-N 2.9Å; R208-K210 VanDerWaalsContact C-N 3.35Å; R208-K210 PolarHBondContact O-N 3.14Å; R208-S211 PolarHBondContact O-N 3.44Å; R208-S211 PolarHBondContact O-OG 2.96Å; R208-S273 PolarHBondContact NH2-OG 3.45Å
209I61.6Low60.8Low5 Ų585.3 Ų85.33%0.02648%0.482CS..Hα-helixtrans-63.5-41.4175.5-54.8173.5000110.6A204 D205 K206 S211 L212 R242 V256 L259 E260A204-I209 HydrophobicContact CB-CD1 4.34Å; D205-I209 PolarHBondContact O-N 3.04Å; K206-I209 PolarHBondContact O-N 3.21Å; I209-S211 PolarHBondContact O-N 2.93Å; I209-L212 WeakPolarHBondContact O-CB 3.48Å; I209-L212 PolarHBondContact O-N 3.12Å; I209-R242 PolarHBondContact O-NH1 3.33Å; I209-V256 HydrophobicContact CG2-CG2 4.08Å; I209-L259 HydrophobicContact CD1-CB 3.97Å; I209-L259 HydrophobicContact CG1-CB 4.26Å; I209-L259 HydrophobicContact CG2-CB 4.37Å; I209-L259 HydrophobicContact CG2-CD1 4.15Å; I209-E260 HydrophobicContact CD1-CG 4.05Å
210K61.1Low61.7Low152 Ų15287.6 Ų87.666%0.66149%0.485SS*.Hα-helixtrans-66-34176.8-74.6170.8-175-179.40113.3K206 E207 R208 L212K206-K210 WeakPolarHBondContact O-CB 3.14Å; K206-K210 VanDerWaalsContact O-CG 3.24Å; K206-K210 WeakPolarHBondContact O-CG 3.44Å; K206-K210 PolarHBondContact O-N 2.8Å; E207-K210 PolarHBondContact O-N 3.34Å; R208-K210 VanDerWaalsContact C-N 3.35Å; R208-K210 PolarHBondContact O-N 3.14Å; K210-L212 VanDerWaalsContact C-N 3.25Å; K210-L212 PolarHBondContact O-N 3.3Å
211S60Low62.2Low91 Ų9189.1 Ų89.164%0.63648%0.48SS*.THydrogen-bonded Turntrans-75.6-4.9178.869.50000115.2E207 R208 I209E207-S211 PolarHBondContact O-N 3.28Å; E207-S211 PolarHBondContact O-OG 3.11Å; R208-S211 PolarHBondContact O-N 3.44Å; R208-S211 PolarHBondContact O-OG 2.96Å; I209-S211 PolarHBondContact O-N 2.93Å
212L65.6Low62.9Low25 Ų2586.3 Ų86.313%0.13146%0.461CS..SBendtrans-62.3137.4178.7-69.9172.1000110.6I209 K210 T214 L259I209-L212 WeakPolarHBondContact O-CB 3.48Å; I209-L212 PolarHBondContact O-N 3.12Å; K210-L212 VanDerWaalsContact C-N 3.25Å; K210-L212 PolarHBondContact O-N 3.3Å; L212-T214 PolarHBondContact O-N 3.12Å; L212-T214 PolarHBondContact O-OG1 2.96Å; L212-L259 HydrophobicContact CD1-CD1 3.67Å
213P68.4Low63.4Low79 Ų7984.2 Ų84.251%0.51346%0.46SS..PPolyproline II helixtrans-58.9116.5-179.525.1-32.7000108.9Q243P213-Q243 PolarHBondContact O-N 3.24Å; P213-Q243 VanDerWaalsContact O-N 3.12Å
214T72.8Confident64.5Low69 Ų6982.8 Ų82.842%0.42346%0.457SS..EExtended strand (participates in β ladder)trans-95.8121.5174.4-54.30000106.6L212 V241L212-T214 PolarHBondContact O-N 3.12Å; L212-T214 PolarHBondContact O-OG1 2.96Å; T214-V241 CarbonylContact C-O 3.55Å; T214-V241 WeakPolarHBondContact CA-O 3.39Å; T214-V241 WeakPolarHBondContact CG2-O 3.43Å
215I75.2Confident65.6Low64 Ų6483.6 Ų83.633%0.32847%0.469SS..EExtended strand (participates in β ladder)trans-106.6132.7178.4-59.7179.8000106.3V241 Q243I215-V241 HydrophobicContact CB-CG2 4.46Å; I215-V241 PolarHBondContact N-O 3.32Å; I215-V241 WeakPolarHBondContact O-CG2 3.24Å; I215-V241 PolarHBondContact O-N 3.34Å; I215-Q243 HydrophobicContact CD1-CB 3.86Å; I215-Q243 HydrophobicContact CD1-CG 4.36Å; I215-Q243 HydrophobicContact CG1-CB 4.38Å
216S75.5Confident66.7Low72 Ų7281.6 Ų81.650%0.50346%0.458SS..EExtended strand (participates in β ladder)trans-81.4130.8170.350.30000109.4T218S216-T218 PolarHBondContact O-N 3.28Å
217I72.6Confident67.9Low6 Ų681.7 Ų81.73%0.03146%0.46CS..PPolyproline II helixtrans-65.2121.3177.1-67.9139.6000109.7H221 V222 Y235 D238 E239 V241I217-H221 HydrophobicContact CG2-CB 3.92Å; I217-V222 HydrophobicContact CG2-CG2 3.62Å; I217-Y235 VanDerWaalsContact CD1-CB 3.46Å; I217-Y235 HydrophobicContact CD1-CD1 3.5Å; I217-Y235 VanDerWaalsContact CD1-CD1 3.5Å; I217-Y235 HydrophobicContact CD1-CE1 4.42Å; I217-Y235 HydrophobicContact CD1-CG 3.58Å; I217-Y235 HydrophobicContact CG1-CD1 4.48Å; I217-Y235 HydrophobicContact CG1-CG 4.22Å; I217-D238 PolarHBondContact O-N 3.17Å; I217-E239 HydrophobicContact CD1-CB 3.73Å; I217-E239 HydrophobicContact CD1-CG 4.24Å; I217-E239 WeakPolarHBondContact CD1-O 3.38Å; I217-E239 PolarHBondContact N-O 2.79Å; I217-E239 VanDerWaalsContact N-O 3.08Å; I217-V241 HydrophobicContact CD1-CB 4.27Å; I217-V241 HydrophobicContact CD1-CG1 3.31Å; I217-V241 HydrophobicContact CD1-CG2 4.08Å; I217-V241 HydrophobicContact CG1-CB 4.43Å; I217-V241 HydrophobicContact CG1-CG1 3.88Å; I217-V241 HydrophobicContact CG1-CG2 3.72Å
218T72.1Confident69.3Low65 Ų6574 Ų7440%0.39942%0.424SS..PPolyproline II helixtrans-86.1155.9168.661.40000110.3S216 E220 H221S216-T218 PolarHBondContact O-N 3.28Å; T218-E220 PolarHBondContact O-N 2.93Å; T218-H221 WeakPolarHBondContact O-CB 3.49Å; T218-H221 PolarHBondContact O-N 3.41Å; T218-H221 PolarHBondContact OG1-CE1 3.07Å; T218-H221 PolarHBondContact OG1-ND1 3.32Å
219Q65.1Low70.6Confident127 Ų12770.2 Ų70.259%0.59342%0.418SS*.Hα-helixtrans-50-27.6179.8-165.177.555.800114V222 G223 V237Q219-V222 PolarHBondContact O-N 3.39Å; Q219-G223 PolarHBondContact O-N 3.08Å; Q219-G223 VanDerWaalsContact O-N 3.1Å; Q219-V237 VanDerWaalsContact OE1-CG2 3.3Å
220E68.5Low71.6Confident163 Ų16373.1 Ų73.176%0.76244%0.436SS*.Hα-helixtrans-66.4-33.9177.8-60-178.5173.500113.1T218 G223 A224T218-E220 PolarHBondContact O-N 2.93Å; E220-G223 PolarHBondContact O-N 3.31Å; E220-A224 PolarHBondContact O-N 3.29Å
221H64.1Low72.7Confident74 Ų7467.8 Ų67.834%0.34342%0.417SS..Hα-helixtrans-74.4-33.3179.1-70.889.2000111.8I217 T218 A224 L226I217-H221 HydrophobicContact CG2-CB 3.92Å; T218-H221 WeakPolarHBondContact O-CB 3.49Å; T218-H221 PolarHBondContact O-N 3.41Å; T218-H221 PolarHBondContact OG1-CE1 3.07Å; T218-H221 PolarHBondContact OG1-ND1 3.32Å; H221-A224 PolarHBondContact O-N 3.01Å; H221-L226 HydrophobicContact CB-CD1 3.88Å
222V63.3Low73.8Confident50 Ų5071 Ų7130%0.30342%0.42SS..Hα-helixtrans-68.4-40.7171.9-174.40000110.3I217 Q219 A224 G225 Y235 V237I217-V222 HydrophobicContact CG2-CG2 3.62Å; Q219-V222 PolarHBondContact O-N 3.39Å; V222-A224 PolarHBondContact O-N 2.99Å; V222-G225 PolarHBondContact O-N 3.07Å; V222-Y235 WeakPolarHBondContact CG2-O 3.48Å; V222-V237 HydrophobicContact CG2-CG2 4.15Å
223G62Low74.6Confident71 Ų7175.6 Ų75.673%0.73244%0.44SS*.Hα-helixtrans-63.8-23.5175.200000114.2Q219 E220 G225Q219-G223 PolarHBondContact O-N 3.08Å; Q219-G223 VanDerWaalsContact O-N 3.1Å; E220-G223 PolarHBondContact O-N 3.31Å; G223-G225 VanDerWaalsContact C-N 3.31Å
224A70.4Confident75.4Confident72 Ų7277.5 Ų77.560%0.59545%0.446SS*.THydrogen-bonded Turntrans-82.6-3.3174.700000113.8E220 H221 V222 L226E220-A224 PolarHBondContact O-N 3.29Å; H221-A224 PolarHBondContact O-N 3.01Å; V222-A224 PolarHBondContact O-N 2.99Å; A224-L226 HydrophobicContact CB-CG 4.34Å
225G72.6Confident75.8Confident52 Ų5274.6 Ų74.654%0.53643%0.427SS..THydrogen-bonded Turntrans66.736.3-179.900000113.2V222 G223 E227V222-G225 PolarHBondContact O-N 3.07Å; G223-G225 VanDerWaalsContact C-N 3.31Å; G225-E227 PolarHBondContact O-N 3.02Å
226L77.8Confident76Confident64 Ų6474.7 Ų74.734%0.33543%0.434SS..  trans-71.2124.2174.9-66.6174000109.4H221 A224 Y235 L249H221-L226 HydrophobicContact CB-CD1 3.88Å; A224-L226 HydrophobicContact CB-CG 4.34Å; L226-Y235 HydrophobicContact CB-CD2 3.75Å; L226-Y235 HydrophobicContact CB-CE2 4.05Å; L226-Y235 WeakPolarHBondContact O-CD2 3.23Å; L226-L249 HydrophobicContact CD1-CD1 4.21Å
227E85.1Confident75.9Confident112 Ų11274.2 Ų74.252%0.52343%0.428SS..BIsolated β-bridgetrans-114.2153.3176.462.6174-173.900110.7G225 P229 E233G225-E227 PolarHBondContact O-N 3.02Å; E227-P229 WeakPolarHBondContact O-CD 3.45Å; E227-E233 WeakPolarHBondContact CA-O 3.29Å
228C85.1Confident75.8Confident0 Ų080.5 Ų80.50%046%0.461CS..  trans-80.5120.5171.2-174.70000110.2V230 C231 K232 E233 Y235 H251C228-V230 PolarHBondContact O-N 3.48Å; C228-V230 VanDerWaalsContact O-N 3.1Å; C228-C231 VanDerWaalsContact CB-SG 3.53Å; C228-K232 WeakPolarHBondContact O-CA 3.41Å; C228-K232 PolarHBondContact O-N 2.69Å; C228-E233 PolarHBondContact N-O 2.84Å; C228-Y235 WeakPolarHBondContact CA-OH 3.01Å; C228-Y235 HydrophobicContact CB-CE1 3.94Å; C228-Y235 WeakPolarHBondContact CB-OH 3.44Å; C228-H251 VanDerWaalsContact CB-CE1 3.41Å; C228-H251 WeakPolarHBondContact CB-CE1 3.18Å; C228-H251 VanDerWaalsContact CB-ND1 3.31Å; C228-H251 WeakPolarHBondContact CB-ND1 3.44Å
229P83.4Confident76.2Confident61 Ų6180.2 Ų80.240%0.39646%0.455SS..THydrogen-bonded Turntrans-71.6-8.8-177.229-36.3000113.9E227 F250 V267E227-P229 WeakPolarHBondContact O-CD 3.45Å; P229-F250 HydrophobicContact CG-CD1 4.01Å; P229-F250 HydrophobicContact CG-CE1 3.43Å; P229-F250 VanDerWaalsContact CG-CE1 3.43Å; P229-F250 HydrophobicContact CG-CZ 4.13Å; P229-V267 HydrophobicContact CB-CG2 4.4Å; P229-V267 HydrophobicContact CG-CG2 3.89Å
230V83.6Confident76.8Confident67 Ų6776.9 Ų76.941%0.40645%0.447SS..THydrogen-bonded Turntrans-87.9-51.9178.3179.50000111.4C228 F250 C254 P266C228-V230 PolarHBondContact O-N 3.48Å; C228-V230 VanDerWaalsContact O-N 3.1Å; V230-F250 HydrophobicContact CG2-CD1 3.74Å; V230-F250 HydrophobicContact CG2-CE1 3.87Å; V230-C254 HydrophobicContact CB-CB 3.96Å; V230-C254 HydrophobicContact CG1-CB 3.86Å; V230-P266 HydrophobicContact CG2-CG 4.39Å
231C83.4Confident77.5Confident39 Ų3969.3 Ų69.326%0.26441%0.411SS..THydrogen-bonded Turntrans-94.8-11.7178.1590000114.1C228 E233 H251C228-C231 VanDerWaalsContact CB-SG 3.53Å; C231-E233 HydrophobicContact CB-CG 4.21Å; C231-E233 PolarHBondContact O-N 2.87Å; C231-E233 PolarHBondContact SG-OE2 3.3Å; C231-E233 VanDerWaalsContact SG-OE2 3.33Å; C231-H251 PolarHBondContact SG-CE1 3.18Å; C231-H251 PolarHBondContact SG-ND1 3.31Å
232K84Confident78.3Confident160 Ų16066.8 Ų66.870%0.69640%0.399SS*.  trans58.634.9-175.5-55.4177.5172.5-67.10113C228C228-K232 WeakPolarHBondContact O-CA 3.41Å; C228-K232 PolarHBondContact O-N 2.69Å
233E82.7Confident79.3Confident120 Ų12066.8 Ų66.856%0.56140%0.395SS*.  trans-111.6146.3179.2-65.8167.3163.900110.1E227 C228 C231E227-E233 WeakPolarHBondContact CA-O 3.29Å; C228-E233 PolarHBondContact N-O 2.84Å; C231-E233 HydrophobicContact CB-CG 4.21Å; C231-E233 PolarHBondContact O-N 2.87Å; C231-E233 PolarHBondContact SG-OE2 3.3Å; C231-E233 VanDerWaalsContact SG-OE2 3.33Å
234D84.9Confident80.3Confident119 Ų11963.6 Ų63.664%0.63636%0.362SS*.BIsolated β-bridgetrans-71.2143.4174-63.6-42.3000110.5
235Y81.4Confident80.8Confident8 Ų864.2 Ų64.23%0.03136%0.36CS..PPolyproline II helixtrans-72.8135178.6-74-53.1000112.6I217 V222 L226 C228 V241 L249 F250 H251I217-Y235 VanDerWaalsContact CD1-CB 3.46Å; I217-Y235 HydrophobicContact CD1-CD1 3.5Å; I217-Y235 VanDerWaalsContact CD1-CD1 3.5Å; I217-Y235 HydrophobicContact CD1-CE1 4.42Å; I217-Y235 HydrophobicContact CD1-CG 3.58Å; I217-Y235 HydrophobicContact CG1-CD1 4.48Å; I217-Y235 HydrophobicContact CG1-CG 4.22Å; V222-Y235 WeakPolarHBondContact CG2-O 3.48Å; L226-Y235 HydrophobicContact CB-CD2 3.75Å; L226-Y235 HydrophobicContact CB-CE2 4.05Å; L226-Y235 WeakPolarHBondContact O-CD2 3.23Å; C228-Y235 WeakPolarHBondContact CA-OH 3.01Å; C228-Y235 HydrophobicContact CB-CE1 3.94Å; C228-Y235 WeakPolarHBondContact CB-OH 3.44Å; Y235-V241 HydrophobicContact CD1-CG1 3.5Å; Y235-V241 HydrophobicContact CE1-CG1 3.23Å; Y235-V241 HydrophobicContact CG-CG1 4.35Å; Y235-L249 VanDerWaalsContact OH-C 3.29Å; Y235-L249 PolarHBondContact OH-O 3.38Å; Y235-F250 WeakPolarHBondContact OH-CA 3.39Å; Y235-F250 PolarHBondContact OH-N 2.87Å; Y235-H251 AromaticContact CD1-CD2 3.59Å; Y235-H251 AromaticContact CD1-CE1 3.86Å; Y235-H251 AromaticContact CD1-NE2 3.07Å; Y235-H251 WeakPolarHBondContact CD1-NE2 3.38Å; Y235-H251 AromaticContact CE1-CD2 3.46Å; Y235-H251 VanDerWaalsContact CE1-CD2 3.46Å; Y235-H251 WeakPolarHBondContact CE1-CD2 3.37Å; Y235-H251 AromaticContact CE1-CE1 3.68Å; Y235-H251 AromaticContact CE1-CG 3.97Å; Y235-H251 AromaticContact CE1-NE2 3.21Å; Y235-H251 WeakPolarHBondContact CE1-NE2 3.38Å
236S77.8Confident81.1Confident67 Ų6762.9 Ų62.947%0.46934%0.341SS..PPolyproline II helixtrans-82.7153.3173.9-30.90000111.5D238 E239S236-D238 PolarHBondContact O-N 2.95Å; S236-E239 WeakPolarHBondContact CB-OE2 3.46Å; S236-E239 PolarHBondContact N-OE2 3.33Å; S236-E239 VanDerWaalsContact O-CB 3.3Å; S236-E239 WeakPolarHBondContact O-CB 3.07Å; S236-E239 PolarHBondContact O-N 2.94Å; S236-E239 PolarHBondContact OG-OE2 3.21Å
237V74.6Confident81.3Confident62 Ų6265.7 Ų65.738%0.37636%0.357SS..THydrogen-bonded Turntrans-64136.5170.8-171.40000109Q219 V222 E239Q219-V237 VanDerWaalsContact OE1-CG2 3.3Å; V222-V237 HydrophobicContact CG2-CG2 4.15Å; V237-E239 PolarHBondContact O-N 2.99Å
238D70.8Confident81.3Confident137 Ų13763 Ų6373%0.73334%0.344SS*.THydrogen-bonded Turntrans66.610.9-175.8-61.7-39.2000115.8I217 S236I217-D238 PolarHBondContact O-N 3.17Å; S236-D238 PolarHBondContact O-N 2.95Å
239E79.1Confident81.3Confident59 Ų5965 Ų6528%0.27635%0.354SS..  trans-75.4143174.7-176163.5-160.500111.8I217 S236 V237 V241 H251I217-E239 HydrophobicContact CD1-CB 3.73Å; I217-E239 HydrophobicContact CD1-CG 4.24Å; I217-E239 WeakPolarHBondContact CD1-O 3.38Å; I217-E239 PolarHBondContact N-O 2.79Å; I217-E239 VanDerWaalsContact N-O 3.08Å; S236-E239 WeakPolarHBondContact CB-OE2 3.46Å; S236-E239 PolarHBondContact N-OE2 3.33Å; S236-E239 VanDerWaalsContact O-CB 3.3Å; S236-E239 WeakPolarHBondContact O-CB 3.07Å; S236-E239 PolarHBondContact O-N 2.94Å; S236-E239 PolarHBondContact OG-OE2 3.21Å; V237-E239 PolarHBondContact O-N 2.99Å; E239-V241 PolarHBondContact O-N 3.18Å; E239-H251 IonicContact OE1-CD2 3.82Å; E239-H251 PolarHBondContact OE1-CD2 3.4Å; E239-H251 IonicContact OE1-NE2 3.71Å; E239-H251 PolarHBondContact OE1-NE2 2.73Å; E239-H251 IonicContact OE2-NE2 3.21Å
240S78.2Confident81.4Confident58 Ų5862 Ų6241%0.40634%0.336SS..EExtended strand (participates in β ladder)trans-86.9104.5-177.564.50000111.1
241V82.9Confident81.5Confident3 Ų359.3 Ų59.32%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-99.2143.1172.1-71.30000111.2T214 I215 I217 Y235 E239 L249 F250T214-V241 CarbonylContact C-O 3.55Å; T214-V241 WeakPolarHBondContact CA-O 3.39Å; T214-V241 WeakPolarHBondContact CG2-O 3.43Å; I215-V241 HydrophobicContact CB-CG2 4.46Å; I215-V241 PolarHBondContact N-O 3.32Å; I215-V241 WeakPolarHBondContact O-CG2 3.24Å; I215-V241 PolarHBondContact O-N 3.34Å; I217-V241 HydrophobicContact CD1-CB 4.27Å; I217-V241 HydrophobicContact CD1-CG1 3.31Å; I217-V241 HydrophobicContact CD1-CG2 4.08Å; I217-V241 HydrophobicContact CG1-CB 4.43Å; I217-V241 HydrophobicContact CG1-CG1 3.88Å; I217-V241 HydrophobicContact CG1-CG2 3.72Å; Y235-V241 HydrophobicContact CD1-CG1 3.5Å; Y235-V241 HydrophobicContact CE1-CG1 3.23Å; Y235-V241 HydrophobicContact CG-CG1 4.35Å; E239-V241 PolarHBondContact O-N 3.18Å; V241-L249 HydrophobicContact CG2-CD2 4.27Å; V241-F250 CarbonylContact C-O 3.57Å; V241-F250 VanDerWaalsContact CA-O 3.23Å; V241-F250 WeakPolarHBondContact CA-O 3.49Å; V241-F250 WeakPolarHBondContact CB-O 3.5Å
242R81.6Confident81.4Confident21 Ų2159.1 Ų59.18%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-92129.4171.1-67.4-175.9-178.6-84.9-2.4108.8I209 F250 N252 I255I209-R242 PolarHBondContact O-NH1 3.33Å; R242-F250 PolarHBondContact N-O 3.08Å; R242-F250 PolarHBondContact O-N 2.84Å; R242-F250 VanDerWaalsContact O-N 3.13Å; R242-N252 VanDerWaalsContact CZ-ND2 3.3Å; R242-N252 VanDerWaalsContact CZ-OD1 3.31Å; R242-N252 PolarHBondContact NE-ND2 3.05Å; R242-N252 PolarHBondContact NE-OD1 2.9Å; R242-N252 PolarHBondContact NH2-ND2 3.41Å; R242-N252 VanDerWaalsContact NH2-ND2 3.16Å; R242-N252 PolarHBondContact NH2-OD1 2.85Å; R242-I255 HydrophobicContact CB-CG2 3.96Å; R242-I255 HydrophobicContact CG-CG2 4.21Å
243Q84.6Confident81.3Confident51 Ų5158 Ų5824%0.23832%0.316CS..EExtended strand (participates in β ladder)trans-96.8124.4170.5-168.817941.500109.4P213 I215 L249P213-Q243 PolarHBondContact O-N 3.24Å; P213-Q243 VanDerWaalsContact O-N 3.12Å; I215-Q243 HydrophobicContact CD1-CB 3.86Å; I215-Q243 HydrophobicContact CD1-CG 4.36Å; I215-Q243 HydrophobicContact CG1-CB 4.38Å; Q243-L249 HydrophobicContact CB-CD2 3.81Å; Q243-L249 HydrophobicContact CG-CD2 3.83Å
244L83.3Confident81.3Confident4 Ų453.7 Ų53.72%0.02130%0.299CS..PPolyproline II helixtrans-80.9159.4173-72.4145.2000110.7C246 N247 H248 F250 I255 L259 C265 L272L244-C246 WeakPolarHBondContact CB-SG 3.28Å; L244-C246 PolarHBondContact O-N 3.22Å; L244-N247 PolarHBondContact O-N 3.02Å; L244-H248 PolarHBondContact N-O 3.48Å; L244-F250 HydrophobicContact CD1-CD2 3.32Å; L244-F250 HydrophobicContact CD1-CE2 3.15Å; L244-F250 HydrophobicContact CD1-CZ 4.24Å; L244-F250 HydrophobicContact CG-CD2 4.48Å; L244-I255 HydrophobicContact CD1-CD1 4.05Å; L244-I255 HydrophobicContact CD1-CG1 4.23Å; L244-L259 HydrophobicContact CD2-CD1 4.2Å; L244-L259 HydrophobicContact CD2-CD2 4.28Å; L244-C265 HydrophobicContact CD1-CB 4.47Å; L244-L272 HydrophobicContact CD2-CD2 3.1Å; L244-L272 HydrophobicContact CD2-CG 4.49Å; L244-L272 HydrophobicContact CG-CD2 4.5Å
245P79.5Confident81.3Confident85 Ų8548 Ų4855%0.55227%0.269SS*.THydrogen-bonded Turntrans-61-11.5177.325.8-36.1000113.9N247 L272P245-N247 VanDerWaalsContact C-N 3.34Å; P245-L272 HydrophobicContact CG-CD2 4.41Å
246C79.9Confident81.3Confident23 Ų2349.3 Ų49.316%0.15528%0.278CS..THydrogen-bonded Turntrans-89.813.1171.756.70000114.3L244 H248 C268L244-C246 WeakPolarHBondContact CB-SG 3.28Å; L244-C246 PolarHBondContact O-N 3.22Å; C246-H248 PolarHBondContact O-N 2.68Å; C246-H248 PolarHBondContact O-ND1 2.99Å; C246-H248 VanDerWaalsContact O-ND1 3.11Å; C246-H248 PolarHBondContact SG-ND1 3.33Å; C246-C268 WeakPolarHBondContact CB-SG 3.29Å
247N81.9Confident81.7Confident123 Ų12349.9 Ų49.966%0.65828%0.279SS*.SBendtrans61.814.4-178.1-59.1-40.3000115.8L244 P245L244-N247 PolarHBondContact O-N 3.02Å; P245-N247 VanDerWaalsContact C-N 3.34Å
248H85.3Confident82.2Confident56 Ų5651.5 Ų51.526%0.25928%0.279SS..  trans-87.1137.9174.4-66.193.9000110L244 C246 F250 V267L244-H248 PolarHBondContact N-O 3.48Å; C246-H248 PolarHBondContact O-N 2.68Å; C246-H248 PolarHBondContact O-ND1 2.99Å; C246-H248 VanDerWaalsContact O-ND1 3.11Å; C246-H248 PolarHBondContact SG-ND1 3.33Å; H248-F250 HydrophobicContact CB-CD2 4.34Å; H248-F250 HydrophobicContact CB-CE2 3.43Å; H248-F250 VanDerWaalsContact CB-CE2 3.43Å; H248-F250 HydrophobicContact CB-CZ 4.04Å; H248-V267 WeakPolarHBondContact NE2-CG1 3.38Å
249L85Confident82.6Confident41 Ų4145 Ų4522%0.21524%0.244CC..EExtended strand (participates in β ladder)trans-105.8136.9-175.5-61.2168.1000110L226 Y235 V241 Q243L226-L249 HydrophobicContact CD1-CD1 4.21Å; Y235-L249 VanDerWaalsContact OH-C 3.29Å; Y235-L249 PolarHBondContact OH-O 3.38Å; V241-L249 HydrophobicContact CG2-CD2 4.27Å; Q243-L249 HydrophobicContact CB-CD2 3.81Å; Q243-L249 HydrophobicContact CG-CD2 3.83Å
250F85.6Confident82.5Confident0 Ų046 Ų460%025%0.249CC..EExtended strand (participates in β ladder)trans-146.3154.6179-60.3-94.1000111.1P229 V230 Y235 V241 R242 L244 H248 I255 P266 V267P229-F250 HydrophobicContact CG-CD1 4.01Å; P229-F250 HydrophobicContact CG-CE1 3.43Å; P229-F250 VanDerWaalsContact CG-CE1 3.43Å; P229-F250 HydrophobicContact CG-CZ 4.13Å; V230-F250 HydrophobicContact CG2-CD1 3.74Å; V230-F250 HydrophobicContact CG2-CE1 3.87Å; Y235-F250 WeakPolarHBondContact OH-CA 3.39Å; Y235-F250 PolarHBondContact OH-N 2.87Å; V241-F250 CarbonylContact C-O 3.57Å; V241-F250 VanDerWaalsContact CA-O 3.23Å; V241-F250 WeakPolarHBondContact CA-O 3.49Å; V241-F250 WeakPolarHBondContact CB-O 3.5Å; R242-F250 PolarHBondContact N-O 3.08Å; R242-F250 PolarHBondContact O-N 2.84Å; R242-F250 VanDerWaalsContact O-N 3.13Å; L244-F250 HydrophobicContact CD1-CD2 3.32Å; L244-F250 HydrophobicContact CD1-CE2 3.15Å; L244-F250 HydrophobicContact CD1-CZ 4.24Å; L244-F250 HydrophobicContact CG-CD2 4.48Å; H248-F250 HydrophobicContact CB-CD2 4.34Å; H248-F250 HydrophobicContact CB-CE2 3.43Å; H248-F250 VanDerWaalsContact CB-CE2 3.43Å; H248-F250 HydrophobicContact CB-CZ 4.04Å; F250-I255 HydrophobicContact CB-CB 3.74Å; F250-I255 HydrophobicContact CB-CD1 4.49Å; F250-I255 HydrophobicContact CB-CG1 4.18Å; F250-I255 HydrophobicContact CB-CG2 4.22Å; F250-I255 HydrophobicContact CD1-CD1 4.37Å; F250-I255 HydrophobicContact CD2-CD1 4.14Å; F250-I255 HydrophobicContact CD2-CG1 4.33Å; F250-I255 HydrophobicContact CE2-CD1 4.48Å; F250-I255 HydrophobicContact CG-CB 4.27Å; F250-I255 HydrophobicContact CG-CD1 4.09Å; F250-I255 HydrophobicContact CG-CG1 4.26Å; F250-P266 HydrophobicContact CD1-CG 4.41Å; F250-P266 HydrophobicContact CE1-CG 3.4Å; F250-P266 HydrophobicContact CE2-CG 4.47Å; F250-P266 HydrophobicContact CZ-CG 3.47Å; F250-P266 VanDerWaalsContact CZ-CG 3.47Å; F250-V267 HydrophobicContact CE1-CG2 4.32Å; F250-V267 HydrophobicContact CZ-CG2 3.82Å
251H86.1Confident82.3Confident10 Ų1048.9 Ų48.95%0.04626%0.256CS..EExtended strand (participates in β ladder)trans-59.4146.1167-62.7122.7000111.4C228 C231 Y235 E239 D253 C254 I255C228-H251 VanDerWaalsContact CB-CE1 3.41Å; C228-H251 WeakPolarHBondContact CB-CE1 3.18Å; C228-H251 VanDerWaalsContact CB-ND1 3.31Å; C228-H251 WeakPolarHBondContact CB-ND1 3.44Å; C231-H251 PolarHBondContact SG-CE1 3.18Å; C231-H251 PolarHBondContact SG-ND1 3.31Å; Y235-H251 AromaticContact CD1-CD2 3.59Å; Y235-H251 AromaticContact CD1-CE1 3.86Å; Y235-H251 AromaticContact CD1-NE2 3.07Å; Y235-H251 WeakPolarHBondContact CD1-NE2 3.38Å; Y235-H251 AromaticContact CE1-CD2 3.46Å; Y235-H251 VanDerWaalsContact CE1-CD2 3.46Å; Y235-H251 WeakPolarHBondContact CE1-CD2 3.37Å; Y235-H251 AromaticContact CE1-CE1 3.68Å; Y235-H251 AromaticContact CE1-CG 3.97Å; Y235-H251 AromaticContact CE1-NE2 3.21Å; Y235-H251 WeakPolarHBondContact CE1-NE2 3.38Å; E239-H251 IonicContact OE1-CD2 3.82Å; E239-H251 PolarHBondContact OE1-CD2 3.4Å; E239-H251 IonicContact OE1-NE2 3.71Å; E239-H251 PolarHBondContact OE1-NE2 2.73Å; E239-H251 IonicContact OE2-NE2 3.21Å; H251-D253 VanDerWaalsContact C-N 3.26Å; H251-D253 PolarHBondContact O-N 3.46Å; H251-C254 HydrophobicContact CB-CB 4.08Å; H251-C254 PolarHBondContact O-N 3.46Å; H251-I255 WeakPolarHBondContact O-CG2 3.34Å; H251-I255 PolarHBondContact O-N 3.3Å; H251-I255 VanDerWaalsContact O-N 3.12Å
252N81.3Confident82.1Confident34 Ų3452.9 Ų52.918%0.18227%0.274CS..Hα-helixtrans-53.9-46.5175.6-151.4-61.5000111.3R242 C254 V256R242-N252 VanDerWaalsContact CZ-ND2 3.3Å; R242-N252 VanDerWaalsContact CZ-OD1 3.31Å; R242-N252 PolarHBondContact NE-ND2 3.05Å; R242-N252 PolarHBondContact NE-OD1 2.9Å; R242-N252 PolarHBondContact NH2-ND2 3.41Å; R242-N252 VanDerWaalsContact NH2-ND2 3.16Å; R242-N252 PolarHBondContact NH2-OD1 2.85Å; N252-C254 PolarHBondContact O-N 3.34Å; N252-V256 WeakPolarHBondContact O-CB 3.24Å; N252-V256 WeakPolarHBondContact O-CG2 3.3Å; N252-V256 PolarHBondContact O-N 2.64Å; N252-V256 VanDerWaalsContact O-N 3.16Å
253D81.5Confident81.9Confident136 Ų13655.2 Ų55.273%0.72729%0.288SS*.Hα-helixtrans-74.2-27.6-174.2-61-28.8000112.9H251 P257H251-D253 VanDerWaalsContact C-N 3.26Å; H251-D253 PolarHBondContact O-N 3.46Å; D253-P257 WeakPolarHBondContact O-CD 3.42Å; D253-P257 WeakPolarHBondContact O-CG 3.23Å
254C83.3Confident81.8Confident30 Ų3054.3 Ų54.320%0.20329%0.286CS..Hα-helixtrans-80.2-39.4178.7-61.60000112.4V230 H251 N252V230-C254 HydrophobicContact CB-CB 3.96Å; V230-C254 HydrophobicContact CG1-CB 3.86Å; H251-C254 HydrophobicContact CB-CB 4.08Å; H251-C254 PolarHBondContact O-N 3.46Å; N252-C254 PolarHBondContact O-N 3.34Å
255I83.9Confident81.9Confident0 Ų054.2 Ų54.20%029%0.286CS..Hα-helixtrans-87.8-26.7-173-16557.8000113.2R242 L244 F250 H251 W258 L259R242-I255 HydrophobicContact CB-CG2 3.96Å; R242-I255 HydrophobicContact CG-CG2 4.21Å; L244-I255 HydrophobicContact CD1-CD1 4.05Å; L244-I255 HydrophobicContact CD1-CG1 4.23Å; F250-I255 HydrophobicContact CB-CB 3.74Å; F250-I255 HydrophobicContact CB-CD1 4.49Å; F250-I255 HydrophobicContact CB-CG1 4.18Å; F250-I255 HydrophobicContact CB-CG2 4.22Å; F250-I255 HydrophobicContact CD1-CD1 4.37Å; F250-I255 HydrophobicContact CD2-CD1 4.14Å; F250-I255 HydrophobicContact CD2-CG1 4.33Å; F250-I255 HydrophobicContact CE2-CD1 4.48Å; F250-I255 HydrophobicContact CG-CB 4.27Å; F250-I255 HydrophobicContact CG-CD1 4.09Å; F250-I255 HydrophobicContact CG-CG1 4.26Å; H251-I255 WeakPolarHBondContact O-CG2 3.34Å; H251-I255 PolarHBondContact O-N 3.3Å; H251-I255 VanDerWaalsContact O-N 3.12Å; I255-W258 HydrophobicContact CD1-CB 4.39Å; I255-W258 HydrophobicContact CD1-CG 4.47Å; I255-W258 PolarHBondContact O-N 3.12Å; I255-L259 HydrophobicContact CD1-CG 4.16Å; I255-L259 HydrophobicContact CG1-CD1 3.82Å; I255-L259 HydrophobicContact CG1-CG 3.95Å; I255-L259 WeakPolarHBondContact O-CB 3.39Å; I255-L259 VanDerWaalsContact O-CG 3.31Å; I255-L259 WeakPolarHBondContact O-CG 3.24Å; I255-L259 PolarHBondContact O-N 2.79Å
256V82.3Confident82.1Confident36 Ų3652.3 Ų52.322%0.21827%0.274CS..Hα-helixtrans-62.6-52-179.2167.10000111.9I209 N252 W258 L259 E260I209-V256 HydrophobicContact CG2-CG2 4.08Å; N252-V256 WeakPolarHBondContact O-CB 3.24Å; N252-V256 WeakPolarHBondContact O-CG2 3.3Å; N252-V256 PolarHBondContact O-N 2.64Å; N252-V256 VanDerWaalsContact O-N 3.16Å; V256-W258 PolarHBondContact O-N 3.22Å; V256-L259 PolarHBondContact O-N 3.1Å; V256-E260 WeakPolarHBondContact O-CG 3.49Å; V256-E260 PolarHBondContact O-N 2.84Å; V256-E260 VanDerWaalsContact O-N 3.11Å
257P84.8Confident82.3Confident78 Ų7854.9 Ų54.951%0.50629%0.288SS..Hα-helixtrans-61.3-35177.1-21.333.2000112.4D253 E260D253-P257 WeakPolarHBondContact O-CD 3.42Å; D253-P257 WeakPolarHBondContact O-CG 3.23Å; P257-E260 PolarHBondContact O-N 2.95Å
258W84.7Confident82.3Confident96 Ų9651.2 Ų51.236%0.36427%0.272SS..Hα-helixtrans-64.1-47.4176.5-177.8-90.2000111.8I255 V256 E260 Q261 H262 T264 P266I255-W258 HydrophobicContact CD1-CB 4.39Å; I255-W258 HydrophobicContact CD1-CG 4.47Å; I255-W258 PolarHBondContact O-N 3.12Å; V256-W258 PolarHBondContact O-N 3.22Å; W258-E260 VanDerWaalsContact C-N 3.27Å; W258-E260 PolarHBondContact O-N 3.35Å; W258-Q261 PolarHBondContact O-N 3.34Å; W258-Q261 VanDerWaalsContact O-N 3.14Å; W258-H262 HydrophobicContact CZ2-CB 4.48Å; W258-H262 PolarHBondContact O-N 3.07Å; W258-T264 PolarHBondContact NE1-O 2.78Å; W258-P266 HydrophobicContact CZ2-CB 4.06Å
259L79.8Confident82.2Confident1 Ų158 Ų581%0.00530%0.295CS..Hα-helixtrans-69.7-21.2-179.9-70177.5000114I209 L212 L244 I255 V256 Q261 H262 L272I209-L259 HydrophobicContact CD1-CB 3.97Å; I209-L259 HydrophobicContact CG1-CB 4.26Å; I209-L259 HydrophobicContact CG2-CB 4.37Å; I209-L259 HydrophobicContact CG2-CD1 4.15Å; L212-L259 HydrophobicContact CD1-CD1 3.67Å; L244-L259 HydrophobicContact CD2-CD1 4.2Å; L244-L259 HydrophobicContact CD2-CD2 4.28Å; I255-L259 HydrophobicContact CD1-CG 4.16Å; I255-L259 HydrophobicContact CG1-CD1 3.82Å; I255-L259 HydrophobicContact CG1-CG 3.95Å; I255-L259 WeakPolarHBondContact O-CB 3.39Å; I255-L259 VanDerWaalsContact O-CG 3.31Å; I255-L259 WeakPolarHBondContact O-CG 3.24Å; I255-L259 PolarHBondContact O-N 2.79Å; V256-L259 PolarHBondContact O-N 3.1Å; L259-Q261 VanDerWaalsContact C-N 3.32Å; L259-H262 WeakPolarHBondContact CA-O 3.26Å; L259-L272 HydrophobicContact CD1-CD1 4.12Å; L259-L272 HydrophobicContact CD2-CD1 3.77Å; L259-L272 HydrophobicContact CD2-CD2 4.04Å; L259-L272 HydrophobicContact CD2-CG 4.04Å; L259-L272 HydrophobicContact CG-CD1 4.42Å
260E77.4Confident81.9Confident81 Ų8160.2 Ų60.238%0.37930%0.303SS..Hα-helixtrans-69.5-31.9171.2-72-170158.300112K206 I209 V256 P257 W258K206-E260 IonicContact NZ-OE1 3.48Å; K206-E260 PolarHBondContact NZ-OE1 3.25Å; K206-E260 IonicContact NZ-OE2 2.73Å; I209-E260 HydrophobicContact CD1-CG 4.05Å; V256-E260 WeakPolarHBondContact O-CG 3.49Å; V256-E260 PolarHBondContact O-N 2.84Å; V256-E260 VanDerWaalsContact O-N 3.11Å; P257-E260 PolarHBondContact O-N 2.95Å; W258-E260 VanDerWaalsContact C-N 3.27Å; W258-E260 PolarHBondContact O-N 3.35Å
261Q74.8Confident81.5Confident117 Ų11760.5 Ų60.555%0.54731%0.305SS..Hα-helixtrans-96-35.6-179.1-16465.95100112.9W258 L259W258-Q261 PolarHBondContact O-N 3.34Å; W258-Q261 VanDerWaalsContact O-N 3.14Å; L259-Q261 VanDerWaalsContact C-N 3.32Å
262H76.7Confident80.8Confident87 Ų8761.7 Ų61.740%0.40331%0.312SS..  trans-139.2117.5-173.9-61.1-57.8000110.5W258 L259 T264W258-H262 HydrophobicContact CZ2-CB 4.48Å; W258-H262 PolarHBondContact O-N 3.07Å; L259-H262 WeakPolarHBondContact CA-O 3.26Å; H262-T264 PolarHBondContact O-N 3.33Å
263D77.9Confident79.9Confident70 Ų7062.7 Ų62.737%0.37432%0.322SS..SBendtrans-75.119.8178.274.1-41.2000113.7S271 L272D263-S271 CarbonylContact O-C 3.49Å; D263-S271 VanDerWaalsContact O-CA 3.23Å; D263-S271 WeakPolarHBondContact O-CA 3.4Å; D263-S271 PolarHBondContact OD2-OG 3.28Å; D263-L272 PolarHBondContact O-N 2.92Å
264T83.5Confident78.7Confident33 Ų3359 Ų5920%0.20232%0.315CS..BIsolated β-bridgetrans-118.5144.7-172.557.20000111.9W258 H262 K270W258-T264 PolarHBondContact NE1-O 2.78Å; H262-T264 PolarHBondContact O-N 3.33Å; T264-K270 WeakPolarHBondContact CA-O 3.49Å
265C85.8Confident77.1Confident1 Ų163.1 Ų63.11%0.00733%0.332CS..  trans-68.4131.4174.31760000111.2L244 V267 C268 R269 K270L244-C265 HydrophobicContact CD1-CB 4.47Å; C265-V267 PolarHBondContact O-N 3.11Å; C265-V267 PolarHBondContact SG-N 2.99Å; C265-C268 VanDerWaalsContact CB-SG 3.57Å; C265-C268 VanDerWaalsContact SG-SG 3.68Å; C265-R269 WeakPolarHBondContact O-CA 3.49Å; C265-R269 PolarHBondContact O-N 2.97Å; C265-K270 PolarHBondContact N-O 3.12Å
266P83.6Confident75.5Confident46 Ų4666.1 Ų66.130%0.29935%0.348SS..THydrogen-bonded Turntrans-66.6-22.3-179.526.6-34.9000113.5V230 F250 W258V230-P266 HydrophobicContact CG2-CG 4.39Å; F250-P266 HydrophobicContact CD1-CG 4.41Å; F250-P266 HydrophobicContact CE1-CG 3.4Å; F250-P266 HydrophobicContact CE2-CG 4.47Å; F250-P266 HydrophobicContact CZ-CG 3.47Å; F250-P266 VanDerWaalsContact CZ-CG 3.47Å; W258-P266 HydrophobicContact CZ2-CB 4.06Å
267V83.9Confident74.2Confident76 Ų7668.9 Ų68.946%0.46137%0.365SS..THydrogen-bonded Turntrans-87.8-48.4179.6-179.50000111.6P229 H248 F250 C265P229-V267 HydrophobicContact CB-CG2 4.4Å; P229-V267 HydrophobicContact CG-CG2 3.89Å; H248-V267 WeakPolarHBondContact NE2-CG1 3.38Å; F250-V267 HydrophobicContact CE1-CG2 4.32Å; F250-V267 HydrophobicContact CZ-CG2 3.82Å; C265-V267 PolarHBondContact O-N 3.11Å; C265-V267 PolarHBondContact SG-N 2.99Å
268C81.4Confident72.7Confident47 Ų4769.8 Ų69.832%0.31838%0.379SS..THydrogen-bonded Turntrans-113.13.6-171.8740000115C246 C265 K270C246-C268 WeakPolarHBondContact CB-SG 3.29Å; C265-C268 VanDerWaalsContact CB-SG 3.57Å; C265-C268 VanDerWaalsContact SG-SG 3.68Å; C268-K270 PolarHBondContact O-N 3.21Å
269R82.7Confident71.1Confident198 Ų19869.9 Ų69.975%0.74739%0.39SS*.  trans52.820.2178.7-57.3-175.7-178.7-175.1-0.4115.6C265C265-R269 WeakPolarHBondContact O-CA 3.49Å; C265-R269 PolarHBondContact O-N 2.97Å
270K79.4Confident69.6Low87 Ų8774.9 Ų74.938%0.37842%0.417SS..  trans-88.9134.2-178.1-169.6137.653.9-171.60109.7T264 C265 C268 N276T264-K270 WeakPolarHBondContact CA-O 3.49Å; C265-K270 PolarHBondContact N-O 3.12Å; C268-K270 PolarHBondContact O-N 3.21Å; K270-N276 WeakPolarHBondContact CD-OD1 3.4Å
271S77.8Confident68.4Low6 Ų675.3 Ų75.34%0.04243%0.427CS..BIsolated β-bridgetrans-71.7147.4179.1-680000111.8D263 S273 G274 T277D263-S271 CarbonylContact O-C 3.49Å; D263-S271 VanDerWaalsContact O-CA 3.23Å; D263-S271 WeakPolarHBondContact O-CA 3.4Å; D263-S271 PolarHBondContact OD2-OG 3.28Å; S271-S273 PolarHBondContact O-N 3.36Å; S271-S273 VanDerWaalsContact O-N 3.12Å; S271-G274 PolarHBondContact O-N 3.17Å; S271-G274 VanDerWaalsContact O-N 3.12Å; S271-T277 WeakPolarHBondContact OG-CG2 3.47Å
272L70.6Confident67.2Low36 Ų3675.5 Ų75.519%0.18844%0.438CS..THydrogen-bonded Turntrans-56.2-27.1175.9-64.1-175.7000113.6L244 P245 L259 D263 G274L244-L272 HydrophobicContact CD2-CD2 3.1Å; L244-L272 HydrophobicContact CD2-CG 4.49Å; L244-L272 HydrophobicContact CG-CD2 4.5Å; P245-L272 HydrophobicContact CG-CD2 4.41Å; L259-L272 HydrophobicContact CD1-CD1 4.12Å; L259-L272 HydrophobicContact CD2-CD1 3.77Å; L259-L272 HydrophobicContact CD2-CD2 4.04Å; L259-L272 HydrophobicContact CD2-CG 4.04Å; L259-L272 HydrophobicContact CG-CD1 4.42Å; D263-L272 PolarHBondContact O-N 2.92Å; L272-G274 PolarHBondContact O-N 3.1Å
273S62.1Low65.9Low55 Ų5576.1 Ų76.139%0.38545%0.448SS..THydrogen-bonded Turntrans-81.36.7-178.8-58.10000113.9R208 S271 Q275R208-S273 PolarHBondContact NH2-OG 3.45Å; S271-S273 PolarHBondContact O-N 3.36Å; S271-S273 VanDerWaalsContact O-N 3.12Å; S273-Q275 PolarHBondContact O-N 3.41Å
274G56.4Low64.7Low58 Ų5879.6 Ų79.660%0.59847%0.466SS*.SBendtrans72.33.6179.600000114.6S271 L272S271-G274 PolarHBondContact O-N 3.17Å; S271-G274 VanDerWaalsContact O-N 3.12Å; L272-G274 PolarHBondContact O-N 3.1Å
275Q50.2Low63.2Low117 Ų11784.4 Ų84.455%0.54750%0.5SS..  trans-85.8117.1174.2-60.7175.63800108.1S273 T277S273-Q275 PolarHBondContact O-N 3.41Å; Q275-T277 PolarHBondContact O-N 3.07Å; Q275-T277 VanDerWaalsContact O-N 3.17Å
276N50.7Low61.6Low63 Ų6387.7 Ų87.734%0.33754%0.535SS..  trans-73.2104.5171.2-66.3-25.7000107.6K270 A278 T279 D280K270-N276 WeakPolarHBondContact CD-OD1 3.4Å; N276-A278 PolarHBondContact O-N 3.03Å; N276-T279 WeakPolarHBondContact CB-OG1 3.4Å; N276-T279 PolarHBondContact O-N 3.43Å; N276-D280 PolarHBondContact O-N 3.46Å
277T54.1Low60.1Low93 Ų9390.6 Ų90.657%0.57155%0.547SS*.THydrogen-bonded Turntrans-59.6-12.8173.252.90000113.3S271 Q275S271-T277 WeakPolarHBondContact OG-CG2 3.47Å; Q275-T277 PolarHBondContact O-N 3.07Å; Q275-T277 VanDerWaalsContact O-N 3.17Å
278A52.8Low58.5Low98 Ų9893.8 Ų93.881%0.8156%0.561SS**THydrogen-bonded Turntrans-91.7-14.2174.400000114.6N276N276-A278 PolarHBondContact O-N 3.03Å
279T52.5Low56.5Low98 Ų9899.5 Ų99.560%0.60158%0.581SS**THydrogen-bonded Turntrans-123.1-24.5-175-27.30000113.2N276N276-T279 WeakPolarHBondContact CB-OG1 3.4Å; N276-T279 PolarHBondContact O-N 3.43Å
280D48.5Very low54.9Low106 Ų10693.9 Ų93.957%0.56757%0.572SS**  trans-130.1106.6174.3-72.1-53.1000108.9N276N276-D280 PolarHBondContact O-N 3.46Å
281P50.4Low53.6Low90 Ų9094.9 Ų94.958%0.58459%0.588SS**  trans-58.7156159.528-32.8000108.3V283P281-V283 PolarHBondContact O-N 3.3Å
282P50.8Low51.9Low120 Ų120100.6 Ų100.678%0.77962%0.624SS**  trans-63.785.2176.127.5-33.8000109.5L284P282-L284 PolarHBondContact O-N 3.37Å; P282-L284 VanDerWaalsContact O-N 3.12Å
283V48.2Very low50.5Low101 Ų101104.2 Ų104.261%0.61265%0.653SS**  trans-69.2108.3167.2173.20000105P281 S285P281-V283 PolarHBondContact O-N 3.3Å; V283-S285 VanDerWaalsContact C-N 3.33Å; V283-S285 PolarHBondContact O-N 2.98Å; V283-S285 PolarHBondContact O-OG 2.95Å
284L53.7Low49.6Very low143 Ų143107 Ų10775%0.74967%0.672SS**  trans-23.895.5155.7-74.9154.3000110.3P282 G286P282-L284 PolarHBondContact O-N 3.37Å; P282-L284 VanDerWaalsContact O-N 3.12Å; L284-G286 PolarHBondContact O-N 3.05Å
285S52.6Low48.8Very low133 Ų133109.8 Ų109.893%0.9368%0.682SS**THydrogen-bonded Turntrans-72.875.5174.5-61.10000107.4V283V283-S285 VanDerWaalsContact C-N 3.33Å; V283-S285 PolarHBondContact O-N 2.98Å; V283-S285 PolarHBondContact O-OG 2.95Å
286G50.4Low48.5Very low71 Ų71109.1 Ų109.173%0.73269%0.691SS**THydrogen-bonded Turntrans-171.65.9-172.300000116.1L284L284-G286 PolarHBondContact O-N 3.05Å
287I52.8Low48.2Very low107 Ų107111.4 Ų111.455%0.54971%0.711SS.*  trans-125.498.917149.7-176000110.4F289I287-F289 HydrophobicContact CB-CD2 4.42Å; I287-F289 HydrophobicContact CB-CE2 4.06Å; I287-F289 HydrophobicContact CD1-CD2 4.29Å; I287-F289 HydrophobicContact CD1-CE2 3.27Å; I287-F289 HydrophobicContact CD1-CZ 3.69Å; I287-F289 HydrophobicContact CG1-CD2 4.1Å; I287-F289 HydrophobicContact CG1-CE2 3.55Å; I287-F289 HydrophobicContact CG1-CZ 4.28Å; I287-F289 PolarHBondContact O-N 3.34Å
288N50.3Low47.6Very low143 Ų143112.4 Ų112.477%0.76572%0.723SS**  trans-61.894.1165.9176.758000109.1S290N288-S290 VanDerWaalsContact C-N 3.34Å; N288-S290 PolarHBondContact ND2-OG 3.14Å; N288-S290 VanDerWaalsContact ND2-OG 3.11Å; N288-S290 PolarHBondContact O-N 3.21Å
289F40Very low47.3Very low167 Ų167113 Ų11373%0.73272%0.72SS**  trans-82.786.8163.2-70.6-76.3000108.4I287I287-F289 HydrophobicContact CB-CD2 4.42Å; I287-F289 HydrophobicContact CB-CE2 4.06Å; I287-F289 HydrophobicContact CD1-CD2 4.29Å; I287-F289 HydrophobicContact CD1-CE2 3.27Å; I287-F289 HydrophobicContact CD1-CZ 3.69Å; I287-F289 HydrophobicContact CG1-CD2 4.1Å; I287-F289 HydrophobicContact CG1-CE2 3.55Å; I287-F289 HydrophobicContact CG1-CZ 4.28Å; I287-F289 PolarHBondContact O-N 3.34Å
290S49.5Very low47.1Very low80 Ų80114.2 Ų114.256%0.55973%0.73SS**  trans-61.3127.6155.8-57.70000107.6N288N288-S290 VanDerWaalsContact C-N 3.34Å; N288-S290 PolarHBondContact ND2-OG 3.14Å; N288-S290 VanDerWaalsContact ND2-OG 3.11Å; N288-S290 PolarHBondContact O-N 3.21Å
291P51.1Low46.7Very low108 Ų108114.6 Ų114.670%0.70174%0.741SS**  trans-60.8139.8172.625.7-31.8000108.3S293P291-S293 PolarHBondContact O-N 3.45Å
292P43.1Very low46.1Very low125 Ų125116 Ų11681%0.81275%0.753SS**  trans-66.1108.2172.526.9-30.1000107.4S294P292-S294 PolarHBondContact O-N 2.9Å
293S40.6Very low46Very low112 Ų112116 Ų11678%0.78375%0.753SS**  trans-50.3111.4162.6-55.20000107.4P291 S295P291-S293 PolarHBondContact O-N 3.45Å; S293-S295 PolarHBondContact O-N 2.96Å
294S42.3Very low45.7Very low113 Ų113116.9 Ų116.979%0.7976%0.764SS**  trans-54.4102.6169.443.10000108.5P292 S296P292-S294 PolarHBondContact O-N 2.9Å; S294-S296 VanDerWaalsContact C-N 3.3Å; S294-S296 PolarHBondContact O-N 3.08Å
295S40.9Very low45.1Very low117 Ų117117.2 Ų117.282%0.81877%0.766SS**  trans-68.489169.751.20000108.6S293 S297S293-S295 PolarHBondContact O-N 2.96Å; S295-S297 PolarHBondContact O-N 3.12Å; S295-S297 VanDerWaalsContact O-N 3.12Å
296S44.1Very low44.5Very low103 Ų103118.3 Ų118.372%0.7276%0.757SS**  trans-71.297.8161.451.60000108.1S294 S298S294-S296 VanDerWaalsContact C-N 3.3Å; S294-S296 PolarHBondContact O-N 3.08Å; S296-S298 PolarHBondContact O-N 3.46Å; S296-S298 VanDerWaalsContact O-N 3.09Å
297S44.8Very low44Very low111 Ų111122.3 Ų122.378%0.77676%0.761SS**  trans-55.8108.2167.949.90000109.7S295 S299S295-S297 PolarHBondContact O-N 3.12Å; S295-S297 VanDerWaalsContact O-N 3.12Å; S297-S299 PolarHBondContact O-N 3.09Å
298S41.1Very low43.4Very low115 Ų115121.7 Ų121.780%0.80477%0.773SS**  trans-82.2107.8169.5-54.20000107.9S296S296-S298 PolarHBondContact O-N 3.46Å; S296-S298 VanDerWaalsContact O-N 3.09Å
299S46.4Very low42.9Very low109 Ų109118 Ų11876%0.76277%0.768SS**PPolyproline II helixtrans-68.6143.6172.3-61.90000110.7S297S297-S299 PolarHBondContact O-N 3.09Å
300P46.7Very low43.1Very low125 Ų125115.5 Ų115.581%0.81277%0.772SS**PPolyproline II helixtrans-79.3142.1-177.531.4-32.2000112.1
301S40.3Very low42.9Very low113 Ų113119 Ų11979%0.7978%0.784SS**PPolyproline II helixtrans-56.7144.1173.541.40000114.8
302S39.1Very low42.5Very low121 Ų121123.1 Ų123.185%0.84682%0.816SS**  trans-159.1158162.7-850000109.7
303P48.3Very low42.5Very low118 Ų118123.1 Ų123.177%0.76682%0.816SS**  -102.7168.8-111.437-38.6000116
304S41Very low42.6Very low120 Ų120123.6 Ų123.684%0.83982%0.817SS**  trans-40.1132.4169-38.80000114.1
305N41.7Very low42.6Very low150 Ų150124.2 Ų124.280%0.80282%0.819SS**  trans-115.9138.8154-166.433.6000109.5
306E40.3Very low42.7Very low156 Ų156124.6 Ų124.673%0.72982%0.819SS**  trans-85.1151.8-167.758.9-156.394.900113.6
307N38.9Very low42.6Very low155 Ų155126 Ų12683%0.82983%0.825SS**  trans94.9145.6134.4-144.2-0.2000120.9
308A41.4Very low42.5Very low95 Ų95127 Ų12779%0.78583%0.828SS**  trans79.5115.5168.500000116.3
309G39.6Very low42.5Very low66 Ų66127.9 Ų127.968%0.6883%0.83SS**  cis140.2153.71100000109.4
310S44.2Very low42.3Very low114 Ų114129.3 Ų129.380%0.79784%0.835SS**  trans85.998.5164.1-31.80000114.9
311N45.1Very low41.9Very low152 Ų152129.7 Ų129.781%0.81384%0.837SS**  78.3118.376.6-78.8-9.4000113
312S42.7Very low42Very low196 Ų196131.2 Ų131.2100%1.37184%0.842SS**  trans70.50146.2-53.10000119.2

Retrieved 312 of 312 residues in 41 ms (Link to these results)

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