X2LAK0_DROME Loading...

Even-skipped

AlphaFold DB , UniProt , Accession X2LAK0, Species DROME (Drosophila melanogaster, Fruit fly), Gene eve, Length 280 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
1R60.7Low77Confident272 Ų272109.4 Ų109.4100%1.02653%0.527SS*.  0-390-71.1-179.4179-112.53.2114.3R3 R4R1-R3 PolarHBondContact O-N 3.45Å; R1-R4 PolarHBondContact O-N 3.26Å
2P67.1Low77.6Confident95 Ų95113 Ų11362%0.61755%0.551SS**THydrogen-bonded Turntrans-63.5-33.9-17220.3-30.1000115.5R4 C5 E6P2-R4 PolarHBondContact O-N 3.2Å; P2-C5 PolarHBondContact O-N 3.02Å; P2-C5 VanDerWaalsContact O-N 3.12Å; P2-E6 PolarHBondContact O-N 3.12Å
3R77.6Confident78.4Confident200 Ų200110.4 Ų110.476%0.75554%0.541SS*.Hα-helixtrans-56-24.6177.6-92-163.6-177.7-154.73.2115.7R1 L7R1-R3 PolarHBondContact O-N 3.45Å; R3-L7 WeakPolarHBondContact O-CB 3.49Å; R3-L7 WeakPolarHBondContact O-CD1 3.47Å; R3-L7 PolarHBondContact O-N 2.96Å
4R76.1Confident79.3Confident84 Ų84107.9 Ų107.932%0.31754%0.537SS..Hα-helixtrans-77.3-30.2-179-79.3-177.962.6-149.3-22112.7R1 P2 A8 E15 I18 F22R1-R4 PolarHBondContact O-N 3.26Å; P2-R4 PolarHBondContact O-N 3.2Å; R4-A8 VanDerWaalsContact O-CB 3.32Å; R4-A8 WeakPolarHBondContact O-CB 3.48Å; R4-A8 PolarHBondContact O-N 3.01Å; R4-E15 PolarHBondContact NH2-O 3.35Å; R4-I18 HydrophobicContact CB-CG2 4.29Å; R4-I18 HydrophobicContact CG-CG2 4.05Å; R4-F22 HydrophobicContact CG-CD2 4.48Å; R4-F22 HydrophobicContact CG-CE2 4.26Å
5C73.1Confident80Confident56 Ų56107.8 Ų107.838%0.37853%0.534SS..Hα-helixtrans-73.3-41.3176.5-54.80000110.2P2 L7 A8 A9 E15P2-C5 PolarHBondContact O-N 3.02Å; P2-C5 VanDerWaalsContact O-N 3.12Å; C5-L7 PolarHBondContact O-N 3.5Å; C5-A8 WeakPolarHBondContact O-CB 3.45Å; C5-A8 PolarHBondContact O-N 3.32Å; C5-A9 PolarHBondContact O-N 3.32Å; C5-E15 PolarHBondContact SG-OE1 3.11Å
6E78.8Confident80.6Confident105 Ų105105.9 Ų105.949%0.49154%0.535SS..Hα-helixtrans-60.6-45.6174-68164.6-169.800111.8P2 A9 Q10P2-E6 PolarHBondContact O-N 3.12Å; E6-A9 PolarHBondContact O-N 3.36Å; E6-Q10 WeakPolarHBondContact O-CB 3.22Å; E6-Q10 VanDerWaalsContact O-CG 3.28Å; E6-Q10 WeakPolarHBondContact O-CG 3.36Å; E6-Q10 PolarHBondContact O-N 3.35Å
7L80.9Confident81.3Confident57 Ų57103.2 Ų103.230%0.29853%0.525SS..Hα-helixtrans-64.8-38175.5-85.2162.4000112.7R3 C5 L11 I18 F22R3-L7 WeakPolarHBondContact O-CB 3.49Å; R3-L7 WeakPolarHBondContact O-CD1 3.47Å; R3-L7 PolarHBondContact O-N 2.96Å; C5-L7 PolarHBondContact O-N 3.5Å; L7-L11 HydrophobicContact CD2-CD1 4.26Å; L7-L11 VanDerWaalsContact O-CB 3.27Å; L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3.35Å; L7-I18 HydrophobicContact CB-CD1 4.36Å; L7-F22 HydrophobicContact CD1-CE2 4.15Å; L7-F22 HydrophobicContact CD1-CZ 3.96Å
8A84.1Confident81.8Confident10 Ų1097.8 Ų97.88%0.08350%0.498CS..Hα-helixtrans-61.9-44.7175.300000111.3R4 C5 N12 L13 E15 I18R4-A8 VanDerWaalsContact O-CB 3.32Å; R4-A8 WeakPolarHBondContact O-CB 3.48Å; R4-A8 PolarHBondContact O-N 3.01Å; C5-A8 WeakPolarHBondContact O-CB 3.45Å; C5-A8 PolarHBondContact O-N 3.32Å; A8-N12 WeakPolarHBondContact O-CA 3.27Å; A8-N12 PolarHBondContact O-N 3.27Å; A8-L13 WeakPolarHBondContact CA-O 3.28Å; A8-L13 WeakPolarHBondContact CB-O 3.32Å; A8-L13 PolarHBondContact O-N 3.47Å; A8-E15 HydrophobicContact CB-CG 3.92Å; A8-I18 HydrophobicContact CB-CG1 4Å
9A77.9Confident82.3Confident73 Ų7398.6 Ų98.660%0.60350%0.497SS*.Hα-helixtrans-66.7-44.9178.300000112.5C5 E6 L11 N12C5-A9 PolarHBondContact O-N 3.32Å; E6-A9 PolarHBondContact O-N 3.36Å; A9-L11 VanDerWaalsContact C-N 3.35Å; A9-L11 PolarHBondContact O-N 3.02Å; A9-N12 PolarHBondContact O-N 2.94Å
10Q87.1Confident83Confident151 Ų15197.8 Ų97.871%0.70650%0.497SS*.Hα-helixtrans-64.8-37.5178.3-72.1172.221.300112.7E6E6-Q10 WeakPolarHBondContact O-CB 3.22Å; E6-Q10 VanDerWaalsContact O-CG 3.28Å; E6-Q10 WeakPolarHBondContact O-CG 3.36Å; E6-Q10 PolarHBondContact O-N 3.35Å
11L83.9Confident83.5Confident100 Ų100100.2 Ų100.252%0.52450%0.5SS..Hα-helixtrans-91.2-2.1-179-63170.6000113L7 A9 L13 I18L7-L11 HydrophobicContact CD2-CD1 4.26Å; L7-L11 VanDerWaalsContact O-CB 3.27Å; L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3.35Å; A9-L11 VanDerWaalsContact C-N 3.35Å; A9-L11 PolarHBondContact O-N 3.02Å; L11-L13 HydrophobicContact CB-CB 4.44Å; L11-L13 HydrophobicContact CB-CD1 4.05Å; L11-L13 HydrophobicContact CB-CG 4.26Å; L11-L13 WeakPolarHBondContact O-CG 3.33Å; L11-L13 PolarHBondContact O-N 3.02Å; L11-I18 HydrophobicContact CD1-CD1 3.85Å
12N83.7Confident85Confident153 Ų15390.4 Ų90.482%0.81847%0.465SS*.THydrogen-bonded Turntrans50.536.2-174.3-125.5-57.6000113.1A8 A9A8-N12 WeakPolarHBondContact O-CA 3.27Å; A8-N12 PolarHBondContact O-N 3.27Å; A9-N12 PolarHBondContact O-N 2.94Å
13L87.9Confident86.2Confident79 Ų7991.6 Ų91.641%0.41446%0.463SS..  trans-116.3142.4-178.6-72.1171000109.8A8 L11 T17 I18A8-L13 WeakPolarHBondContact CA-O 3.28Å; A8-L13 WeakPolarHBondContact CB-O 3.32Å; A8-L13 PolarHBondContact O-N 3.47Å; L11-L13 HydrophobicContact CB-CB 4.44Å; L11-L13 HydrophobicContact CB-CD1 4.05Å; L11-L13 HydrophobicContact CB-CG 4.26Å; L11-L13 WeakPolarHBondContact O-CG 3.33Å; L11-L13 PolarHBondContact O-N 3.02Å; L13-T17 HydrophobicContact CD1-CG2 4.5Å; L13-T17 HydrophobicContact CD2-CG2 4.49Å; L13-I18 HydrophobicContact CB-CD1 4.45Å
14P91.5Very high87Confident75 Ų7587.4 Ų87.449%0.48746%0.455SS..  trans-61.5147.1177.812.5-16000111.8S16 T17 I18P14-S16 PolarHBondContact O-N 3.19Å; P14-T17 WeakPolarHBondContact O-CA 3.49Å; P14-T17 VanDerWaalsContact O-CB 3.31Å; P14-T17 WeakPolarHBondContact O-CB 3.37Å; P14-T17 PolarHBondContact O-N 2.93Å; P14-I18 PolarHBondContact O-N 3.16Å
15E89.1Confident87.9Confident107 Ų10790.1 Ų90.150%0.547%0.466SS..Hα-helixtrans-58-27.7-177.7-63.1-175.7175.800113.5R4 C5 A8 T17 I18 K19R4-E15 PolarHBondContact NH2-O 3.35Å; C5-E15 PolarHBondContact SG-OE1 3.11Å; A8-E15 HydrophobicContact CB-CG 3.92Å; E15-T17 VanDerWaalsContact C-N 3.33Å; E15-I18 PolarHBondContact O-N 3.25Å; E15-K19 WeakPolarHBondContact O-CA 3.16Å; E15-K19 WeakPolarHBondContact O-CB 3.42Å; E15-K19 PolarHBondContact O-N 3.48Å
16S90.7Very high88.8Confident77 Ų7796.2 Ų96.254%0.53848%0.481SS..Hα-helixtrans-67.4-29.9174.5610000112.8P14 K19 V20P14-S16 PolarHBondContact O-N 3.19Å; S16-K19 WeakPolarHBondContact O-CA 3.5Å; S16-K19 WeakPolarHBondContact O-CB 3.3Å; S16-V20 PolarHBondContact O-N 3.34Å
17T91.5Very high89.5Confident60 Ų6094.9 Ų94.937%0.36848%0.475SS..Hα-helixtrans-75.2-44.4173.1-57.70000110.2L13 P14 E15 K19 V20 W21L13-T17 HydrophobicContact CD1-CG2 4.5Å; L13-T17 HydrophobicContact CD2-CG2 4.49Å; P14-T17 WeakPolarHBondContact O-CA 3.49Å; P14-T17 VanDerWaalsContact O-CB 3.31Å; P14-T17 WeakPolarHBondContact O-CB 3.37Å; P14-T17 PolarHBondContact O-N 2.93Å; E15-T17 VanDerWaalsContact C-N 3.33Å; T17-K19 CarbonylContact O-C 3.59Å; T17-V20 PolarHBondContact O-N 3.35Å; T17-W21 VanDerWaalsContact O-CB 3.3Å; T17-W21 WeakPolarHBondContact O-CB 3.23Å; T17-W21 PolarHBondContact O-N 3.39Å
18I90.9Very high90Very high7 Ų797.7 Ų97.74%0.03649%0.485CS..Hα-helixtrans-59.7-52176.2-59.7-72.9000111.1R4 L7 A8 L11 L13 P14 E15 W21 F22R4-I18 HydrophobicContact CB-CG2 4.29Å; R4-I18 HydrophobicContact CG-CG2 4.05Å; L7-I18 HydrophobicContact CB-CD1 4.36Å; A8-I18 HydrophobicContact CB-CG1 4Å; L11-I18 HydrophobicContact CD1-CD1 3.85Å; L13-I18 HydrophobicContact CB-CD1 4.45Å; P14-I18 PolarHBondContact O-N 3.16Å; E15-I18 PolarHBondContact O-N 3.25Å; I18-W21 PolarHBondContact O-N 2.95Å; I18-F22 HydrophobicContact CG2-CD2 3.68Å; I18-F22 HydrophobicContact CG2-CE2 3.49Å; I18-F22 VanDerWaalsContact CG2-CE2 3.49Å; I18-F22 VanDerWaalsContact O-CD2 3.23Å; I18-F22 WeakPolarHBondContact O-CD2 3.47Å; I18-F22 PolarHBondContact O-N 2.92Å
19K91.5Very high90.2Very high112 Ų112100.2 Ų100.249%0.48750%0.497SS..Hα-helix29.2-122.2120.6-101.3177.468.3179.90121.8E15 S16 T17 W21 F22 Q23E15-K19 WeakPolarHBondContact O-CA 3.16Å; E15-K19 WeakPolarHBondContact O-CB 3.42Å; E15-K19 PolarHBondContact O-N 3.48Å; S16-K19 WeakPolarHBondContact O-CA 3.5Å; S16-K19 WeakPolarHBondContact O-CB 3.3Å; T17-K19 CarbonylContact O-C 3.59Å; K19-W21 PolarHBondContact O-N 2.96Å; K19-F22 PolarHBondContact O-N 3.42Å; K19-Q23 PolarHBondContact O-N 3.45Å
20V95Very high90.8Very high82 Ų82102.5 Ų102.550%0.49749%0.493SS..Hα-helixtrans-56.1-36.1178.7177.50000109.7S16 T17 F22 Q23 N24S16-V20 PolarHBondContact O-N 3.34Å; T17-V20 PolarHBondContact O-N 3.35Å; V20-F22 PolarHBondContact O-N 2.84Å; V20-Q23 CarbonylContact O-C 3.58Å; V20-Q23 WeakPolarHBondContact O-CB 3.47Å; V20-Q23 PolarHBondContact O-N 3.27Å; V20-Q23 VanDerWaalsContact O-N 3.16Å; V20-N24 VanDerWaalsContact O-CB 3.24Å; V20-N24 WeakPolarHBondContact O-CB 3.31Å; V20-N24 PolarHBondContact O-N 3.07Å
21W93.5Very high90.9Very high149 Ų149103.9 Ų103.956%0.56449%0.492SS*.Hα-helixtrans-59.5-49.1178-172.988.9000112.5T17 I18 K19 Q23 N24 R25T17-W21 VanDerWaalsContact O-CB 3.3Å; T17-W21 WeakPolarHBondContact O-CB 3.23Å; T17-W21 PolarHBondContact O-N 3.39Å; I18-W21 PolarHBondContact O-N 2.95Å; K19-W21 PolarHBondContact O-N 2.96Å; W21-Q23 VanDerWaalsContact C-N 3.28Å; W21-Q23 PolarHBondContact O-N 2.86Å; W21-N24 PolarHBondContact O-N 2.87Å; W21-R25 VanDerWaalsContact O-CB 3.22Å; W21-R25 WeakPolarHBondContact O-CB 3.36Å; W21-R25 PolarHBondContact O-N 3.35Å
22F93.1Very high90.9Very high67 Ų67103.8 Ų103.829%0.29449%0.489SS..Hα-helixtrans-64.8-34.8175.9-83-64.1000112.3R4 L7 I18 K19 V20 R26R4-F22 HydrophobicContact CG-CD2 4.48Å; R4-F22 HydrophobicContact CG-CE2 4.26Å; L7-F22 HydrophobicContact CD1-CE2 4.15Å; L7-F22 HydrophobicContact CD1-CZ 3.96Å; I18-F22 HydrophobicContact CG2-CD2 3.68Å; I18-F22 HydrophobicContact CG2-CE2 3.49Å; I18-F22 VanDerWaalsContact CG2-CE2 3.49Å; I18-F22 VanDerWaalsContact O-CD2 3.23Å; I18-F22 WeakPolarHBondContact O-CD2 3.47Å; I18-F22 PolarHBondContact O-N 2.92Å; K19-F22 PolarHBondContact O-N 3.42Å; V20-F22 PolarHBondContact O-N 2.84Å; F22-R26 WeakPolarHBondContact O-CB 3.36Å; F22-R26 WeakPolarHBondContact O-CG 3.35Å; F22-R26 PolarHBondContact O-N 3.21Å
23Q93.2Very high90.7Very high119 Ų119104.7 Ų104.756%0.55648%0.481SS*.Hα-helixtrans-67.4-45.1176.5-165.5163.328.300111.4K19 V20 W21 R25 R26 M27K19-Q23 PolarHBondContact O-N 3.45Å; V20-Q23 CarbonylContact O-C 3.58Å; V20-Q23 WeakPolarHBondContact O-CB 3.47Å; V20-Q23 PolarHBondContact O-N 3.27Å; V20-Q23 VanDerWaalsContact O-N 3.16Å; W21-Q23 VanDerWaalsContact C-N 3.28Å; W21-Q23 PolarHBondContact O-N 2.86Å; Q23-R25 VanDerWaalsContact C-N 3.34Å; Q23-R26 PolarHBondContact O-N 3Å; Q23-M27 WeakPolarHBondContact O-CB 3.24Å; Q23-M27 WeakPolarHBondContact O-CG 3.48Å; Q23-M27 PolarHBondContact O-N 3.19Å
24N93.9Very high89.9Confident113 Ų113105.4 Ų105.460%0.60448%0.484SS*.Hα-helixtrans-67.9-37.5178.7-143.9-3.1000110.6V20 W21 M27 K28V20-N24 VanDerWaalsContact O-CB 3.24Å; V20-N24 WeakPolarHBondContact O-CB 3.31Å; V20-N24 PolarHBondContact O-N 3.07Å; W21-N24 PolarHBondContact O-N 2.87Å; N24-M27 PolarHBondContact O-N 3.21Å; N24-K28 WeakPolarHBondContact O-CB 3.18Å; N24-K28 PolarHBondContact O-N 3.14Å
25R94.7Very high88.6Confident141 Ų141104.3 Ų104.353%0.53248%0.482SS..Hα-helixtrans-63.1-47.8173.4-174.564.7-175.9-1804.4111.9W21 Q23 M27 K28 D29W21-R25 VanDerWaalsContact O-CB 3.22Å; W21-R25 WeakPolarHBondContact O-CB 3.36Å; W21-R25 PolarHBondContact O-N 3.35Å; Q23-R25 VanDerWaalsContact C-N 3.34Å; R25-M27 VanDerWaalsContact C-N 3.35Å; R25-K28 PolarHBondContact O-N 3.21Å; R25-D29 PolarHBondContact O-N 3.3Å
26R92.3Very high87.4Confident183 Ų183104.8 Ų104.869%0.69149%0.492SS*.Hα-helixtrans-64.5-38.8175.2-76.2-168.2-144147.22.3112.3F22 Q23 K28 D29 K30F22-R26 WeakPolarHBondContact O-CB 3.36Å; F22-R26 WeakPolarHBondContact O-CG 3.35Å; F22-R26 PolarHBondContact O-N 3.21Å; Q23-R26 PolarHBondContact O-N 3Å; R26-K28 VanDerWaalsContact C-N 3.32Å; R26-D29 PolarHBondContact O-N 2.94Å; R26-K30 WeakPolarHBondContact O-CB 3.22Å; R26-K30 PolarHBondContact O-N 3.43Å
27M93.3Very high86Confident77 Ų77105 Ų10538%0.37950%0.498SS..Hα-helixtrans-64.7-39.3175.9-78.6-50.1-45.100111.8Q23 N24 R25 K30 R31Q23-M27 WeakPolarHBondContact O-CB 3.24Å; Q23-M27 WeakPolarHBondContact O-CG 3.48Å; Q23-M27 PolarHBondContact O-N 3.19Å; N24-M27 PolarHBondContact O-N 3.21Å; R25-M27 VanDerWaalsContact C-N 3.35Å; M27-K30 HydrophobicContact CE-CD 4.27Å; M27-K30 PolarHBondContact O-N 2.86Å; M27-R31 WeakPolarHBondContact O-CB 3.36Å; M27-R31 VanDerWaalsContact O-CG 3.27Å; M27-R31 WeakPolarHBondContact O-CG 3.21Å; M27-R31 PolarHBondContact O-N 2.96Å
28K92.1Very high84Confident116 Ų116109.2 Ų109.250%0.50451%0.507SS..Hα-helixtrans-63.8-46.7174.4-168.1173.1-169.7176.10111.5N24 R25 R26 K30 R31 Q32N24-K28 WeakPolarHBondContact O-CB 3.18Å; N24-K28 PolarHBondContact O-N 3.14Å; R25-K28 PolarHBondContact O-N 3.21Å; R26-K28 VanDerWaalsContact C-N 3.32Å; K28-K30 PolarHBondContact O-N 3.42Å; K28-R31 PolarHBondContact O-N 3.31Å; K28-Q32 HydrophobicContact CG-CG 4.47Å; K28-Q32 WeakPolarHBondContact O-CB 3.44Å; K28-Q32 VanDerWaalsContact O-CG 3.27Å; K28-Q32 WeakPolarHBondContact O-CG 3.27Å; K28-Q32 PolarHBondContact O-N 2.85Å
29D88.3Confident82.6Confident63 Ų63113.2 Ų113.234%0.33753%0.534SS..Hα-helixtrans-60-46.2176177.575.5000111.6R25 R26 R31 Q32 R33R25-D29 PolarHBondContact O-N 3.3Å; R26-D29 PolarHBondContact O-N 2.94Å; D29-R31 PolarHBondContact O-N 3.49Å; D29-Q32 PolarHBondContact O-N 3.49Å; D29-R33 WeakPolarHBondContact O-CG 3.41Å; D29-R33 PolarHBondContact O-N 2.88Å; D29-R33 IonicContact OD1-CZ 2.94Å; D29-R33 IonicContact OD1-NE 3.88Å; D29-R33 PolarHBondContact OD1-NE 3.21Å; D29-R33 IonicContact OD1-NH2 3.3Å; D29-R33 IonicContact OD2-CZ 3.28Å; D29-R33 VanDerWaalsContact OD2-CZ 3.28Å; D29-R33 IonicContact OD2-NE 3.6Å; D29-R33 PolarHBondContact OD2-NE 3.39Å; D29-R33 IonicContact OD2-NH2 3.35Å; D29-R33 PolarHBondContact OD2-NH2 3.33Å
30K90.6Very high80.8Confident121 Ų121116 Ų11653%0.52654%0.542SS..Hα-helixtrans-57.9-48174.1178.3177-74.5-168.70111.7R26 M27 K28 Q32 R33 I34R26-K30 WeakPolarHBondContact O-CB 3.22Å; R26-K30 PolarHBondContact O-N 3.43Å; M27-K30 HydrophobicContact CE-CD 4.27Å; M27-K30 PolarHBondContact O-N 2.86Å; K28-K30 PolarHBondContact O-N 3.42Å; K30-Q32 VanDerWaalsContact C-N 3.32Å; K30-Q32 PolarHBondContact O-N 3.38Å; K30-R33 PolarHBondContact O-N 2.8Å; K30-I34 HydrophobicContact CD-CD1 4.45Å; K30-I34 HydrophobicContact CG-CD1 3.78Å; K30-I34 WeakPolarHBondContact O-CB 3.33Å; K30-I34 VanDerWaalsContact O-CG1 3.26Å; K30-I34 WeakPolarHBondContact O-CG1 3.39Å; K30-I34 PolarHBondContact O-N 2.74Å
31R88.1Confident79Confident181 Ų181114.1 Ų114.168%0.68354%0.536SS*.Hα-helixtrans-62.4-39.6177.8-75.7177.6-177.9-160.51.8111.7M27 K28 D29 I34 A35M27-R31 WeakPolarHBondContact O-CB 3.36Å; M27-R31 VanDerWaalsContact O-CG 3.27Å; M27-R31 WeakPolarHBondContact O-CG 3.21Å; M27-R31 PolarHBondContact O-N 2.96Å; K28-R31 PolarHBondContact O-N 3.31Å; D29-R31 PolarHBondContact O-N 3.49Å; R31-I34 PolarHBondContact O-N 3.39Å; R31-A35 WeakPolarHBondContact O-CB 3.4Å; R31-A35 PolarHBondContact O-N 2.86Å
32Q84.3Confident77.2Confident97 Ų97109.1 Ų109.145%0.45353%0.526SS..Hα-helixtrans-67.6-44.7178.2-75.7177.2-37.500111.7K28 D29 K30 I34 A35 V36K28-Q32 HydrophobicContact CG-CG 4.47Å; K28-Q32 WeakPolarHBondContact O-CB 3.44Å; K28-Q32 VanDerWaalsContact O-CG 3.27Å; K28-Q32 WeakPolarHBondContact O-CG 3.27Å; K28-Q32 PolarHBondContact O-N 2.85Å; D29-Q32 PolarHBondContact O-N 3.49Å; K30-Q32 VanDerWaalsContact C-N 3.32Å; K30-Q32 PolarHBondContact O-N 3.38Å; Q32-I34 VanDerWaalsContact C-N 3.31Å; Q32-I34 PolarHBondContact O-N 3.06Å; Q32-A35 PolarHBondContact O-N 3.37Å; Q32-V36 WeakPolarHBondContact O-CB 3.38Å; Q32-V36 WeakPolarHBondContact O-CG2 3.5Å; Q32-V36 PolarHBondContact O-N 3.26Å
33R78.4Confident75.6Confident173 Ų173108.2 Ų108.265%0.65353%0.526SS*.Hα-helixtrans-61.6-40.6175.3-70177.3-170.8-154.20112.4D29 K30 A37D29-R33 WeakPolarHBondContact O-CG 3.41Å; D29-R33 PolarHBondContact O-N 2.88Å; D29-R33 IonicContact OD1-CZ 2.94Å; D29-R33 IonicContact OD1-NE 3.88Å; D29-R33 PolarHBondContact OD1-NE 3.21Å; D29-R33 IonicContact OD1-NH2 3.3Å; D29-R33 IonicContact OD2-CZ 3.28Å; D29-R33 VanDerWaalsContact OD2-CZ 3.28Å; D29-R33 IonicContact OD2-NE 3.6Å; D29-R33 PolarHBondContact OD2-NE 3.39Å; D29-R33 IonicContact OD2-NH2 3.35Å; D29-R33 PolarHBondContact OD2-NH2 3.33Å; K30-R33 PolarHBondContact O-N 2.8Å; R33-A37 PolarHBondContact O-N 3.36Å
34I72.8Confident73.7Confident93 Ų93112.1 Ų112.148%0.47754%0.537SS..Hα-helixtrans-68.7-48.1175.6-65.1167.9000109.6K30 R31 Q32 V36 A37 W38K30-I34 HydrophobicContact CD-CD1 4.45Å; K30-I34 HydrophobicContact CG-CD1 3.78Å; K30-I34 WeakPolarHBondContact O-CB 3.33Å; K30-I34 VanDerWaalsContact O-CG1 3.26Å; K30-I34 WeakPolarHBondContact O-CG1 3.39Å; K30-I34 PolarHBondContact O-N 2.74Å; R31-I34 PolarHBondContact O-N 3.39Å; Q32-I34 VanDerWaalsContact C-N 3.31Å; Q32-I34 PolarHBondContact O-N 3.06Å; I34-V36 PolarHBondContact O-N 3.42Å; I34-A37 CarbonylContact O-C 3.29Å; I34-A37 VanDerWaalsContact O-C 3.29Å; I34-A37 WeakPolarHBondContact O-CA 3.26Å; I34-A37 WeakPolarHBondContact O-CB 3.49Å; I34-A37 PolarHBondContact O-N 3.21Å; I34-W38 VanDerWaalsContact O-CD1 3.25Å; I34-W38 PolarHBondContact O-N 3.44Å; I34-W38 VanDerWaalsContact O-N 3.08Å
35A64.4Low72.1Confident53 Ų53111.2 Ų111.244%0.43854%0.539SS..Hα-helixtrans-64.6-33.1-17800000114.3R31 Q32 A37 W38R31-A35 WeakPolarHBondContact O-CB 3.4Å; R31-A35 PolarHBondContact O-N 2.86Å; Q32-A35 PolarHBondContact O-N 3.37Å; A35-A37 PolarHBondContact O-N 3.41Å; A35-W38 WeakPolarHBondContact O-CB 3.08Å; A35-W38 PolarHBondContact O-N 3.44Å; A35-W38 VanDerWaalsContact O-N 3.12Å
36V63.3Low70.3Confident117 Ų117108 Ų10871%0.70953%0.533SS*.Hα-helixtrans-66.9-28.6171.2172.60000111Q32 I34Q32-V36 WeakPolarHBondContact O-CB 3.38Å; Q32-V36 WeakPolarHBondContact O-CG2 3.5Å; Q32-V36 PolarHBondContact O-N 3.26Å; I34-V36 PolarHBondContact O-N 3.42Å
37A61.9Low69.1Low80 Ų80104.4 Ų104.466%0.66153%0.533SS*.THydrogen-bonded Turntrans-89.96172.600000113.5R33 I34 A35R33-A37 PolarHBondContact O-N 3.36Å; I34-A37 CarbonylContact O-C 3.29Å; I34-A37 VanDerWaalsContact O-C 3.29Å; I34-A37 WeakPolarHBondContact O-CA 3.26Å; I34-A37 WeakPolarHBondContact O-CB 3.49Å; I34-A37 PolarHBondContact O-N 3.21Å; A35-A37 PolarHBondContact O-N 3.41Å
38W48.2Very low67.9Low150 Ų150103.9 Ų103.957%0.56854%0.541SS*.SBendtrans-69.1136.3174.2-93.355000109.3I34 A35 Y40 A41I34-W38 VanDerWaalsContact O-CD1 3.25Å; I34-W38 PolarHBondContact O-N 3.44Å; I34-W38 VanDerWaalsContact O-N 3.08Å; A35-W38 WeakPolarHBondContact O-CB 3.08Å; A35-W38 PolarHBondContact O-N 3.44Å; A35-W38 VanDerWaalsContact O-N 3.12Å; W38-Y40 HydrophobicContact CE3-CD2 4.39Å; W38-Y40 PolarHBondContact O-N 2.96Å; W38-A41 PolarHBondContact O-N 3.45Å
39P61.8Low66.7Low91 Ų91102.9 Ų102.959%0.59154%0.537SS*.Hα-helixtrans-56.9-20.7-177.719.5-30.3000113.2A42 V43P39-A42 PolarHBondContact O-N 3.29Å; P39-V43 WeakPolarHBondContact O-CG2 3.38Å; P39-V43 PolarHBondContact O-N 2.78Å
40Y54.6Low65.8Low169 Ų169101.2 Ų101.266%0.66353%0.532SS*.Hα-helixtrans-68.6-29.1174.1-85.9-84.2000114.9W38 Y44W38-Y40 HydrophobicContact CE3-CD2 4.39Å; W38-Y40 PolarHBondContact O-N 2.96Å; Y40-Y44 PolarHBondContact O-N 3.42Å
41A56.6Low64.8Low44 Ų4498.2 Ų98.236%0.36453%0.529SS..Hα-helixtrans-70.8-40174.700000110.8W38 Y44 S45W38-A41 PolarHBondContact O-N 3.45Å; A41-Y44 PolarHBondContact O-N 2.85Å; A41-S45 VanDerWaalsContact O-CB 3.26Å; A41-S45 WeakPolarHBondContact O-CB 3.4Å; A41-S45 PolarHBondContact O-N 3.42Å; A41-S45 PolarHBondContact O-OG 3.49Å
42A56.2Low64.2Low43 Ų4393 Ų9336%0.35552%0.521SS..Hα-helixtrans-67.8-35.7175.700000113P39 Y44 S45 F49P39-A42 PolarHBondContact O-N 3.29Å; A42-Y44 VanDerWaalsContact C-N 3.26Å; A42-Y44 PolarHBondContact O-N 3Å; A42-S45 WeakPolarHBondContact CA-OG 3.26Å; A42-S45 PolarHBondContact O-OG 3.44Å; A42-F49 HydrophobicContact CB-CE1 4.43Å
43V57.8Low63.9Low48 Ų4892.6 Ų92.629%0.29152%0.521SS..Hα-helixtrans-68.7-22.2176.1172.20000112.5P39 F49 A50 I53P39-V43 WeakPolarHBondContact O-CG2 3.38Å; P39-V43 PolarHBondContact O-N 2.78Å; V43-F49 HydrophobicContact CG2-CE1 4.37Å; V43-A50 HydrophobicContact CG1-CB 4.34Å; V43-A50 WeakPolarHBondContact O-CB 3.27Å; V43-I53 HydrophobicContact CG2-CD1 4.36Å
44Y54Low63.8Low201 Ų20190.7 Ų90.779%0.78852%0.523SS*.Hα-helixtrans-105.4-20.4176.6-99.9-87.4000114.5Y40 A41 A42Y40-Y44 PolarHBondContact O-N 3.42Å; A41-Y44 PolarHBondContact O-N 2.85Å; A42-Y44 VanDerWaalsContact C-N 3.26Å; A42-Y44 PolarHBondContact O-N 3Å
45S61.5Low63.8Low95 Ų9591.6 Ų91.666%0.66453%0.525SS*.Hα-helixtrans-77.8-22.1178.860.50000113.3A41 A42A41-S45 VanDerWaalsContact O-CB 3.26Å; A41-S45 WeakPolarHBondContact O-CB 3.4Å; A41-S45 PolarHBondContact O-N 3.42Å; A41-S45 PolarHBondContact O-OG 3.49Å; A42-S45 WeakPolarHBondContact CA-OG 3.26Å; A42-S45 PolarHBondContact O-OG 3.44Å
46D56.8Low64Low73 Ų7391.9 Ų91.939%0.3953%0.527SS..  trans-133.3106.1179-175.82.1000111.5A48 F49 A50D46-A48 PolarHBondContact O-N 3.24Å; D46-A48 WeakPolarHBondContact OD1-CB 3.43Å; D46-A48 PolarHBondContact OD1-N 2.88Å; D46-F49 HydrophobicContact CB-CB 4.01Å; D46-F49 PolarHBondContact O-N 3.38Å; D46-A50 PolarHBondContact O-N 2.81Å
47P65.8Low64.2Low108 Ų10888.7 Ų88.770%0.70151%0.513SS*.Hα-helixtrans-56.4-28.5176-21.230.7000113.8A51P47-A51 WeakPolarHBondContact O-CB 3.44Å; P47-A51 PolarHBondContact O-N 3.46Å; P47-A51 VanDerWaalsContact O-N 3.12Å
48A69.1Low64.4Low66 Ų6687.6 Ų87.655%0.54550%0.504SS..Hα-helixtrans-75.8-39.5-179.100000111.9D46 A51 S52D46-A48 PolarHBondContact O-N 3.24Å; D46-A48 WeakPolarHBondContact OD1-CB 3.43Å; D46-A48 PolarHBondContact OD1-N 2.88Å; A48-A51 PolarHBondContact O-N 3.44Å; A48-S52 PolarHBondContact O-N 3.43Å
49F66.9Low65.4Low94 Ų9486.5 Ų86.541%0.41251%0.51SS..Hα-helixtrans-66.5-39.8175.1-175.4-108.5000111.9A42 V43 D46 S52 I53A42-F49 HydrophobicContact CB-CE1 4.43Å; V43-F49 HydrophobicContact CG2-CE1 4.37Å; D46-F49 HydrophobicContact CB-CB 4.01Å; D46-F49 PolarHBondContact O-N 3.38Å; F49-S52 WeakPolarHBondContact O-CB 3.45Å; F49-S52 PolarHBondContact O-N 3.33Å; F49-I53 HydrophobicContact CD1-CD1 4.37Å; F49-I53 HydrophobicContact CE1-CD1 3.64Å; F49-I53 HydrophobicContact CE1-CG1 4.36Å; F49-I53 HydrophobicContact CZ-CD1 3.76Å; F49-I53 HydrophobicContact CZ-CG1 4.3Å; F49-I53 PolarHBondContact O-N 3.31Å
50A68.3Low65.4Low29 Ų2985.3 Ų85.324%0.2450%0.503CS..Hα-helixtrans-60.3-46.1173.600000112V43 D46 S52 I53 L54V43-A50 HydrophobicContact CG1-CB 4.34Å; V43-A50 WeakPolarHBondContact O-CB 3.27Å; D46-A50 PolarHBondContact O-N 2.81Å; A50-S52 VanDerWaalsContact C-N 3.31Å; A50-S52 PolarHBondContact O-N 2.9Å; A50-I53 PolarHBondContact O-N 3.06Å; A50-L54 WeakPolarHBondContact O-CB 3.35Å; A50-L54 PolarHBondContact O-N 3.48Å
51A69.6Low65.6Low57 Ų5783.5 Ų83.547%0.47151%0.51SS..Hα-helixtrans-62.2-38.5175.300000111.6P47 A48 L54 Q55P47-A51 WeakPolarHBondContact O-CB 3.44Å; P47-A51 PolarHBondContact O-N 3.46Å; P47-A51 VanDerWaalsContact O-N 3.12Å; A48-A51 PolarHBondContact O-N 3.44Å; A51-L54 PolarHBondContact O-N 3.19Å; A51-Q55 WeakPolarHBondContact O-CB 3.45Å; A51-Q55 PolarHBondContact O-N 3.19Å
52S75.6Confident65.6Low73 Ų7384.8 Ų84.851%0.5153%0.528SS..Hα-helixtrans-63.8-42.6176.3-174.70000112.7A48 F49 A50 A56A48-S52 PolarHBondContact O-N 3.43Å; F49-S52 WeakPolarHBondContact O-CB 3.45Å; F49-S52 PolarHBondContact O-N 3.33Å; A50-S52 VanDerWaalsContact C-N 3.31Å; A50-S52 PolarHBondContact O-N 2.9Å; S52-A56 VanDerWaalsContact O-CB 3.25Å; S52-A56 WeakPolarHBondContact O-CB 3.35Å; S52-A56 PolarHBondContact O-N 3.48Å
53I77.8Confident65.6Low87 Ų8790.2 Ų90.245%0.44655%0.548SS..Hα-helixtrans-67.6-42.4175.7-69.8-170.8000110.6V43 F49 A50 Q55 A56 A57V43-I53 HydrophobicContact CG2-CD1 4.36Å; F49-I53 HydrophobicContact CD1-CD1 4.37Å; F49-I53 HydrophobicContact CE1-CD1 3.64Å; F49-I53 HydrophobicContact CE1-CG1 4.36Å; F49-I53 HydrophobicContact CZ-CD1 3.76Å; F49-I53 HydrophobicContact CZ-CG1 4.3Å; F49-I53 PolarHBondContact O-N 3.31Å; A50-I53 PolarHBondContact O-N 3.06Å; I53-Q55 VanDerWaalsContact C-N 3.34Å; I53-Q55 PolarHBondContact O-N 3.18Å; I53-A56 PolarHBondContact O-N 3.33Å; I53-A57 VanDerWaalsContact O-CB 3.28Å; I53-A57 WeakPolarHBondContact O-CB 3.47Å; I53-A57 PolarHBondContact O-N 3.4Å
54L76.9Confident65.3Low133 Ų13393.2 Ų93.270%0.69657%0.568SS**Hα-helixtrans-65.1-39.1178.6-153.5101.3000111.6A50 A51 A57 A58A50-L54 WeakPolarHBondContact O-CB 3.35Å; A50-L54 PolarHBondContact O-N 3.48Å; A51-L54 PolarHBondContact O-N 3.19Å; L54-A57 PolarHBondContact O-N 3.03Å; L54-A58 VanDerWaalsContact O-CB 3.3Å; L54-A58 WeakPolarHBondContact O-CB 3.16Å; L54-A58 PolarHBondContact O-N 2.86Å
55Q72Confident64.8Low113 Ų11393.9 Ų93.953%0.52857%0.571SS.*Hα-helixtrans-69.3-41.7176.2-172.66647.200111.7A51 I53 A57 A58 N59A51-Q55 WeakPolarHBondContact O-CB 3.45Å; A51-Q55 PolarHBondContact O-N 3.19Å; I53-Q55 VanDerWaalsContact C-N 3.34Å; I53-Q55 PolarHBondContact O-N 3.18Å; Q55-A57 VanDerWaalsContact C-N 3.31Å; Q55-A58 PolarHBondContact O-N 3.35Å; Q55-N59 PolarHBondContact NE2-OD1 3.37Å; Q55-N59 WeakPolarHBondContact O-CB 3.45Å; Q55-N59 VanDerWaalsContact O-CG 3.26Å; Q55-N59 PolarHBondContact O-N 2.91Å
56A69.3Low64.4Low58 Ų5893.8 Ų93.848%0.47957%0.567SS.*Hα-helixtrans-62.9-40.2173.200000111.1S52 I53 N59 S60S52-A56 VanDerWaalsContact O-CB 3.25Å; S52-A56 WeakPolarHBondContact O-CB 3.35Å; S52-A56 PolarHBondContact O-N 3.48Å; I53-A56 PolarHBondContact O-N 3.33Å; A56-N59 PolarHBondContact O-N 3.32Å; A56-S60 WeakPolarHBondContact O-CB 3.13Å; A56-S60 PolarHBondContact O-N 3.28Å; A56-S60 VanDerWaalsContact O-N 3.12Å; A56-S60 PolarHBondContact O-OG 2.93Å
57A67.8Low64.5Low50 Ų5095.4 Ų95.441%0.41358%0.582SS.*Hα-helixtrans-64.6-44.2174.500000111.7I53 L54 Q55 N59 S60 V61I53-A57 VanDerWaalsContact O-CB 3.28Å; I53-A57 WeakPolarHBondContact O-CB 3.47Å; I53-A57 PolarHBondContact O-N 3.4Å; L54-A57 PolarHBondContact O-N 3.03Å; Q55-A57 VanDerWaalsContact C-N 3.31Å; A57-N59 VanDerWaalsContact C-N 3.29Å; A57-N59 PolarHBondContact O-N 3.44Å; A57-S60 WeakPolarHBondContact CA-OG 3.33Å; A57-S60 PolarHBondContact O-N 2.91Å; A57-S60 PolarHBondContact O-OG 3.08Å; A57-V61 PolarHBondContact O-N 3.12Å
58A66.6Low63.7Low57 Ų57101 Ų10147%0.47159%0.591SS.*Hα-helixtrans-63.1-32.5176.300000112.9L54 Q55 S60 V61L54-A58 VanDerWaalsContact O-CB 3.3Å; L54-A58 WeakPolarHBondContact O-CB 3.16Å; L54-A58 PolarHBondContact O-N 2.86Å; Q55-A58 PolarHBondContact O-N 3.35Å; A58-S60 VanDerWaalsContact C-N 3.3Å; A58-V61 WeakPolarHBondContact O-CG2 3.44Å
59N68.4Low62.7Low127 Ų127100.3 Ų100.368%0.67959%0.585SS**Hα-helixtrans-80.3-11.6174.3-69.7-4.4000113.1Q55 A56 A57Q55-N59 PolarHBondContact NE2-OD1 3.37Å; Q55-N59 WeakPolarHBondContact O-CB 3.45Å; Q55-N59 VanDerWaalsContact O-CG 3.26Å; Q55-N59 PolarHBondContact O-N 2.91Å; A56-N59 PolarHBondContact O-N 3.32Å; A57-N59 VanDerWaalsContact C-N 3.29Å; A57-N59 PolarHBondContact O-N 3.44Å
60S62.3Low62.1Low66 Ų66101.7 Ų101.746%0.46260%0.603SS.*THydrogen-bonded Turntrans-102.17-178.3730000114.3A56 A57 A58 G62 M63A56-S60 WeakPolarHBondContact O-CB 3.13Å; A56-S60 PolarHBondContact O-N 3.28Å; A56-S60 VanDerWaalsContact O-N 3.12Å; A56-S60 PolarHBondContact O-OG 2.93Å; A57-S60 WeakPolarHBondContact CA-OG 3.33Å; A57-S60 PolarHBondContact O-N 2.91Å; A57-S60 PolarHBondContact O-OG 3.08Å; A58-S60 VanDerWaalsContact C-N 3.3Å; S60-G62 PolarHBondContact O-N 3.02Å; S60-M63 PolarHBondContact O-N 3.46Å
61V57.7Low61.4Low131 Ų131103.4 Ų103.479%0.79462%0.618SS**THydrogen-bonded Turntrans-6682.5176.6-171.20000109.1A57 A58A57-V61 PolarHBondContact O-N 3.12Å; A58-V61 WeakPolarHBondContact O-CG2 3.44Å
62G57.6Low60.8Low72 Ų72103.5 Ų103.574%0.74262%0.619SS**THydrogen-bonded Turntrans165.7-12.4-175.300000115S60S60-G62 PolarHBondContact O-N 3.02Å
63M56.7Low59.9Low157 Ų157103.4 Ų103.477%0.77362%0.622SS**SBendtrans-97.7130.2177.8-72.1-59-67.400112.7S60 Y65S60-M63 PolarHBondContact O-N 3.46Å; M63-Y65 PolarHBondContact O-N 2.94Å
64P51.2Low58.9Low111 Ų111102.1 Ų102.172%0.72162%0.624SS**PPolyproline II helixtrans-65.3119.717826.3-32.8000110P66P64-P66 WeakPolarHBondContact O-CD 3.41Å
65Y42.3Very low57.9Low215 Ų21598.8 Ų98.884%0.84362%0.616SS**PPolyproline II helixtrans-75.5119-177.7-160.3-92.5000110.4M63M63-Y65 PolarHBondContact O-N 2.94Å
66P53.2Low57.3Low92 Ų9296.4 Ų96.460%0.59762%0.616SS**PPolyproline II helixtrans-73.7130.4170.226.9-30000110P64 Y68P64-P66 WeakPolarHBondContact O-CD 3.41Å; P66-Y68 PolarHBondContact O-N 3.03Å
67P58.8Low56.9Low107 Ų10796.5 Ų96.570%0.69562%0.617SS**SBendtrans-75.1123.6177.831.7-31000108.6
68Y50Low56.5Low226 Ų22696.9 Ų96.989%0.88662%0.62SS**  trans73102.5176.4-64-94000117.3P66P66-Y68 PolarHBondContact O-N 3.03Å
69A46.7Very low56.1Low52 Ų5297.3 Ų97.343%0.4362%0.623SS.*  -167.5134.6125.400000111.7A71 A72A69-A71 HydrophobicContact CB-CB 3.91Å; A69-A71 PolarHBondContact O-N 3.44Å; A69-A72 PolarHBondContact O-N 2.97Å; A69-A72 VanDerWaalsContact O-N 3.11Å
70P56.3Low55.7Low122 Ų12294 Ų9479%0.79261%0.613SS**Hα-helixtrans-59-7.6163.226.1-33.6000113.3A74P70-A74 PolarHBondContact O-N 3.4Å
71A53.6Low55.4Low66 Ų6693.4 Ų93.455%0.54561%0.612SS.*Hα-helixtrans-75.3-31173.100000113.8A69 A74 A75A69-A71 HydrophobicContact CB-CB 3.91Å; A69-A71 PolarHBondContact O-N 3.44Å; A71-A74 PolarHBondContact O-N 2.91Å; A71-A75 WeakPolarHBondContact O-CB 3.43Å; A71-A75 PolarHBondContact O-N 3.32Å
72A55.6Low55.5Low59 Ų5991.5 Ų91.549%0.48860%0.601SS.*Hα-helixtrans-71.4-36.2178.300000111.7A69 A75 A76A69-A72 PolarHBondContact O-N 2.97Å; A69-A72 VanDerWaalsContact O-N 3.11Å; A72-A75 PolarHBondContact O-N 3.39Å; A72-A76 WeakPolarHBondContact O-CB 3.37Å; A72-A76 PolarHBondContact O-N 3.11Å
73A56.7Low55.6Low70 Ų7092.1 Ų92.158%0.57960%0.599SS**Hα-helixtrans-66.3-36.6171.600000112.1A77A73-A77 WeakPolarHBondContact O-CB 3.25Å; A73-A77 PolarHBondContact O-N 2.98Å
74A57.4Low55.8Low60 Ų6089.6 Ų89.650%0.49659%0.592SS.*Hα-helixtrans-68.9-38.5174.400000112.5P70 A71 A77 A78P70-A74 PolarHBondContact O-N 3.4Å; A71-A74 PolarHBondContact O-N 2.91Å; A74-A77 PolarHBondContact O-N 3.17Å; A74-A78 WeakPolarHBondContact O-CB 3.28Å; A74-A78 PolarHBondContact O-N 2.93Å
75A56.7Low55.9Low63 Ų6389.4 Ų89.452%0.52159%0.585SS.*Hα-helixtrans-68.3-39.6176.200000112.4A71 A72 A78 A79A71-A75 WeakPolarHBondContact O-CB 3.43Å; A71-A75 PolarHBondContact O-N 3.32Å; A72-A75 PolarHBondContact O-N 3.39Å; A75-A78 PolarHBondContact O-N 3.39Å; A75-A79 WeakPolarHBondContact O-CB 3.37Å; A75-A79 PolarHBondContact O-N 3.25Å
76A59.4Low56.7Low63 Ų6384.2 Ų84.252%0.52158%0.578SS.*Hα-helixtrans-66.4-39173.800000112.1A72 A79 A80A72-A76 WeakPolarHBondContact O-CB 3.37Å; A72-A76 PolarHBondContact O-N 3.11Å; A76-A79 PolarHBondContact O-N 2.93Å; A76-A80 WeakPolarHBondContact O-CB 3.34Å; A76-A80 PolarHBondContact O-N 3.19Å
77A60.1Low56.6Low61 Ų6188.3 Ų88.350%0.50459%0.592SS.*Hα-helixtrans-66.6-37.5173.700000112.6A73 A74 A80 A81A73-A77 WeakPolarHBondContact O-CB 3.25Å; A73-A77 PolarHBondContact O-N 2.98Å; A74-A77 PolarHBondContact O-N 3.17Å; A77-A80 PolarHBondContact O-N 3.4Å; A77-A81 PolarHBondContact O-N 3.4Å
78A58.3Low56.5Low58 Ų5891.5 Ų91.548%0.47960%0.599SS.*Hα-helixtrans-67.7-40.1174.900000112.3A74 A75 A81 V82A74-A78 WeakPolarHBondContact O-CB 3.28Å; A74-A78 PolarHBondContact O-N 2.93Å; A75-A78 PolarHBondContact O-N 3.39Å; A78-A81 PolarHBondContact O-N 3.33Å; A78-V82 PolarHBondContact O-N 3.02Å
79A58.5Low56.7Low65 Ų6584.1 Ų84.154%0.53759%0.585SS.*Hα-helixtrans-65.8-38.3175.100000112.3A75 A76 A81 V82 A83A75-A79 WeakPolarHBondContact O-CB 3.37Å; A75-A79 PolarHBondContact O-N 3.25Å; A76-A79 PolarHBondContact O-N 2.93Å; A79-A81 VanDerWaalsContact C-N 3.35Å; A79-V82 PolarHBondContact O-N 3.33Å; A79-A83 PolarHBondContact O-N 3.22Å
80A59.7Low57.1Low57 Ų5788.1 Ų88.147%0.47160%0.604SS.*Hα-helixtrans-67.8-32174.500000113.1A76 A77 A83 T84A76-A80 WeakPolarHBondContact O-CB 3.34Å; A76-A80 PolarHBondContact O-N 3.19Å; A77-A80 PolarHBondContact O-N 3.4Å; A80-A83 PolarHBondContact O-N 3.19Å; A80-T84 PolarHBondContact O-N 3.06Å; A80-T84 PolarHBondContact O-OG1 2.78Å
81A57.7Low56.9Low54 Ų5485.2 Ų85.245%0.44660%0.596SS.*Hα-helixtrans-69.8-32.6174.200000112.9A77 A78 A79 T84 N85A77-A81 PolarHBondContact O-N 3.4Å; A78-A81 PolarHBondContact O-N 3.33Å; A79-A81 VanDerWaalsContact C-N 3.35Å; A81-T84 WeakPolarHBondContact CA-OG1 3.35Å; A81-T84 PolarHBondContact O-OG1 3.5Å; A81-N85 PolarHBondContact O-N 3.45Å
82V58.6Low57Low92 Ų9290.8 Ų90.856%0.55861%0.613SS**Hα-helixtrans-71.3-36.8174.2170.50000111.5A78 A79 T84 N85A78-V82 PolarHBondContact O-N 3.02Å; A79-V82 PolarHBondContact O-N 3.33Å; V82-T84 VanDerWaalsContact C-N 3.27Å; V82-T84 PolarHBondContact O-N 3.12Å; V82-N85 CarbonylContact O-C 3.56Å; V82-N85 PolarHBondContact O-N 3.37Å
83A59.7Low57.3Low84 Ų8492.8 Ų92.869%0.69462%0.621SS**Hα-helixtrans-68.4-24.7177.700000113.7A79 A80A79-A83 PolarHBondContact O-N 3.22Å; A80-A83 PolarHBondContact O-N 3.19Å
84T61.4Low57.3Low104 Ų10495.8 Ų95.864%0.63864%0.635SS**Hα-helixtrans-93.3-9.8-179.541.90000113.8A80 A81 V82A80-T84 PolarHBondContact O-N 3.06Å; A80-T84 PolarHBondContact O-OG1 2.78Å; A81-T84 WeakPolarHBondContact CA-OG1 3.35Å; A81-T84 PolarHBondContact O-OG1 3.5Å; V82-T84 VanDerWaalsContact C-N 3.27Å; V82-T84 PolarHBondContact O-N 3.12Å
85N53.7Low57.2Low107 Ų107101.2 Ų101.257%0.57265%0.652SS**  trans-141.284.5176-93-55.7000111.7A81 V82 M87A81-N85 PolarHBondContact O-N 3.45Å; V82-N85 CarbonylContact O-C 3.56Å; V82-N85 PolarHBondContact O-N 3.37Å; N85-M87 PolarHBondContact O-N 2.94Å
86P58.9Low57Low107 Ų107101.4 Ų101.470%0.69566%0.66SS**THydrogen-bonded Turntrans-67.9-6.4-179.226.9-34000114.2
87M51.8Low56.8Low178 Ų178107 Ų10788%0.87768%0.678SS**THydrogen-bonded Turntrans-84.9-12.1-176.8-146.1-169177.200114.6N85N85-M87 PolarHBondContact O-N 2.94Å
88M56.1Low56.4Low173 Ų173109.4 Ų109.485%0.85269%0.688SS**SBendtrans-94.6-6.4176.7-81.9-105.8-164.800113.7T90M88-T90 VanDerWaalsContact C-N 3.3Å; M88-T90 PolarHBondContact O-N 3.4Å
89A53Low56Low72 Ų72115.5 Ų115.560%0.59571%0.707SS**THydrogen-bonded Turntrans-77.2-9.9-174.200000114.4G91A89-G91 VanDerWaalsContact C-N 3.32Å; A89-G91 PolarHBondContact O-N 2.85Å
90T56.2Low55.8Low136 Ų136120 Ų12083%0.83472%0.719SS**THydrogen-bonded Turntrans-88.513.3-171.6-33.60000114.1M88M88-T90 VanDerWaalsContact C-N 3.3Å; M88-T90 PolarHBondContact O-N 3.4Å
91G52.5Low55.4Low60 Ų60123.3 Ų123.362%0.61974%0.735SS**SBendtrans-119.3-7.4-161.300000119.9A89A89-G91 VanDerWaalsContact C-N 3.32Å; A89-G91 PolarHBondContact O-N 2.85Å
92M55.9Low55.1Low183 Ų183126.7 Ų126.790%0.90175%0.75SS**  trans-131.5117.4-174.9-60.9-15093.700113.5
93P60.6Low54.8Low102 Ų102131 Ų13166%0.66277%0.767SS**  trans-72.6147.9171.430.1-33.3000111.1M95P93-M95 PolarHBondContact O-N 2.9Å
94P56.4Low54.3Low133 Ų133134.4 Ų134.486%0.86477%0.768SS**  trans-74.593.7178.131.1-32.9000109.6G96P94-G96 PolarHBondContact O-N 3.4Å
95M56.1Low53.5Low174 Ų174137.7 Ų137.786%0.85778%0.778SS**  trans-73.3113.8169.6-77.7-68.3-76.500109P93P93-M95 PolarHBondContact O-N 2.9Å
96G52.8Low53.4Low67 Ų67137.8 Ų137.869%0.69179%0.785SS**PPolyproline II helixtrans-55.7133.6179.700000113P94P94-G96 PolarHBondContact O-N 3.4Å
97M55.3Low52.7Low181 Ų181135.6 Ų135.689%0.89278%0.782SS**PPolyproline II helixtrans-61.9126.4167.751.7-163142.100111.3
98P52.2Low52.4Low111 Ų111136.5 Ų136.572%0.72178%0.783SS**PPolyproline II helixtrans-77.6124.3166.529.7-28.9000109.5M100P98-M100 PolarHBondContact O-N 2.92Å
99Q49.6Very low52.1Low186 Ų186134 Ų13487%0.86978%0.783SS**PPolyproline II helixtrans-62.6118.8176.3-178-1792.200110.8
100M53.2Low51.8Low159 Ų159133.5 Ų133.578%0.78379%0.785SS**PPolyproline II helixtrans-91.8136167.4-33.6-70.4-90.200108.1P98 T102P98-M100 PolarHBondContact O-N 2.92Å; M100-T102 PolarHBondContact O-N 3.34Å
101P51.1Low51.3Low127 Ų127136.4 Ų136.483%0.82579%0.789SS**PPolyproline II helixtrans-71.3122.8-179-8.823.3000111.3M103P101-M103 PolarHBondContact O-N 3.34Å
102T53.1Low51.1Low124 Ų124138.3 Ų138.376%0.76180%0.799SS**  trans-66.8111.1167.5168.10000109.6M100 Q104M100-T102 PolarHBondContact O-N 3.34Å; T102-Q104 PolarHBondContact O-N 2.79Å
103M51.7Low51Low184 Ų184133 Ų13391%0.90679%0.79SS**  trans-75.7102.4166.1-105.5-168.517200109.2P101 M105P101-M103 PolarHBondContact O-N 3.34Å; M103-M105 PolarHBondContact O-N 3.12Å
104Q49.6Very low50.3Low154 Ų154136.7 Ų136.772%0.7280%0.799SS**PPolyproline II helixtrans-58.4116.1167.8-172.175.223.200110.2T102T102-Q104 PolarHBondContact O-N 2.79Å
105M43.8Very low50.1Low173 Ų173136.2 Ų136.285%0.85280%0.795SS**PPolyproline II helixtrans-101.2121.2163.8-74.6-65.5-84.700109.6M103M103-M105 PolarHBondContact O-N 3.12Å
106P50.8Low49.8Very low109 Ų109132.1 Ų132.171%0.70878%0.784SS**PPolyproline II helixtrans-81.7141.1-174.4-12.128.5000114.2
107G45.4Very low50Low61 Ų61134.7 Ų134.763%0.62979%0.788SS**  trans83.5130.3150.600000115.4
108H45.8Very low49.8Very low197 Ų197135.2 Ų135.291%0.91278%0.782SS**  -17672.3120.4-83.497.7000106.5
109S48.3Very low49.6Very low120 Ų120132.9 Ų132.984%0.83978%0.777SS**  trans-74124.3162.647.20000109.2
110G47Very low49.5Very low62 Ų62131.8 Ų131.864%0.63977%0.772SS**  trans84.3126.2165.900000113.9
111H45.4Very low49.1Very low198 Ų198134.2 Ų134.292%0.91777%0.774SS**  -167.6116119-99.470.9000108.4
112A48.7Very low49Very low100 Ų100138.4 Ų138.483%0.82677%0.774SS**  trans-61.3147.1164.600000110
113G54.4Low48.7Very low70 Ų70141.8 Ų141.872%0.72277%0.774SS**  trans79.386.7157.300000116.5
114H46.6Very low49.3Very low181 Ų181138.4 Ų138.484%0.83876%0.764SS**  trans-154121143.5-123.7-80.9000110.4S116H114-S116 PolarHBondContact O-N 3.37Å
115P51.4Low49.8Very low122 Ų122136 Ų13679%0.79276%0.762SS**  trans-77105171.130.1-29.1000108.4
116S50Low50.2Low89 Ų89137 Ų13762%0.62276%0.757SS**  trans-77.8128.2170.8-171.20000109.7H114 Y118H114-S116 PolarHBondContact O-N 3.37Å; S116-Y118 PolarHBondContact O-N 3.24Å
117P56.1Low50.8Low120 Ų120139.8 Ų139.878%0.77976%0.761SS**THydrogen-bonded Turntrans-72.53.8-173.828.5-34000114.6
118Y52.2Low51.6Low193 Ų193144.3 Ų144.376%0.75777%0.769SS**THydrogen-bonded Turntrans-105.64.1-176.5-78-84.2000114.8S116S116-Y118 PolarHBondContact O-N 3.24Å
119G46.9Very low52.2Low61 Ų61140.1 Ų140.163%0.62976%0.759SS**  trans-86.6-2.5-172.500000117.3
120Q48.2Very low52.8Low163 Ų163139 Ų13976%0.76276%0.757SS**  trans-108.247-169.5-67-72.533.200114.6
121Y44.1Very low53.2Low210 Ų210147.4 Ų147.482%0.82477%0.769SS**  trans-100.768.3159.8-67.7-76000109.7Y123Y121-Y123 PolarHBondContact O-N 3.17Å; Y121-Y123 VanDerWaalsContact O-N 3.12Å
122R50Low53.9Low215 Ų215143.8 Ų143.881%0.81176%0.764SS**  trans-58.7111.1158.2-84.9-79.8-173-153.7-0.2107.1T124R122-T124 PolarHBondContact O-N 3.23Å
123Y46.8Very low54.6Low195 Ų195142.7 Ų142.777%0.76576%0.755SS**  trans-57101.7169.7-173-97.3000108.9Y121 P125Y121-Y123 PolarHBondContact O-N 3.17Å; Y121-Y123 VanDerWaalsContact O-N 3.12Å; Y123-P125 WeakPolarHBondContact O-CD 3.3Å
124T63.5Low55.3Low113 Ų113144.2 Ų144.269%0.69375%0.752SS**PPolyproline II helixtrans-77117.5167.544.50000107.1R122 Y126R122-T124 PolarHBondContact O-N 3.23Å; T124-Y126 PolarHBondContact O-N 3.39Å
125P60.8Low56Low105 Ų105141.8 Ų141.868%0.68275%0.752SS**PPolyproline II helixtrans-62.9125.1174.225-30.3000108Y123 H127Y123-P125 WeakPolarHBondContact O-CD 3.3Å; P125-H127 PolarHBondContact O-N 3.3Å
126Y51.2Low56.5Low194 Ų194143.8 Ų143.876%0.76175%0.75SS**PPolyproline II helixtrans-51.3125.9175.6-68.1-87.3000110.1T124 I128T124-Y126 PolarHBondContact O-N 3.39Å; Y126-I128 PolarHBondContact O-N 3.38Å
127H63.9Low56.7Low167 Ų167145.6 Ų145.677%0.77376%0.76SS**  trans-67.5115.7169.257.1-73.6000107.8P125 P129P125-H127 PolarHBondContact O-N 3.3Å; H127-P129 WeakPolarHBondContact O-CD 3.4Å
128I62Low56.4Low156 Ų156145 Ų14580%0.877%0.766SS**PPolyproline II helixtrans-83.3118.9173.9-59.4162.1000106.3Y126 A130Y126-I128 PolarHBondContact O-N 3.38Å; I128-A130 PolarHBondContact O-N 2.83Å
129P59Low56.4Low108 Ų108138.9 Ų138.970%0.70176%0.761SS**PPolyproline II helixtrans-61.6128.7173.7-21.133.3000109.9H127 R131H127-P129 WeakPolarHBondContact O-CD 3.4Å; P129-R131 PolarHBondContact O-N 3.32Å
130A60.3Low56.7Low98 Ų98141.7 Ų141.781%0.8177%0.768SS**PPolyproline II helixtrans-60.6126.8174.700000109.6I128I128-A130 PolarHBondContact O-N 2.83Å
131R55.3Low56.7Low237 Ų237141 Ų14189%0.89476%0.764SS**PPolyproline II helixtrans-66.2132.9176.3-146.8176.1-158.9-119.13.4108.6P129 A133P129-R131 PolarHBondContact O-N 3.32Å; R131-A133 PolarHBondContact O-N 3.47Å
132P60.7Low56.9Low123 Ų123140 Ų14080%0.79977%0.77SS**PPolyproline II helixtrans-60.1121.7173.3-19.630.9000109.5
133A64Low56.6Low77 Ų77137.4 Ų137.464%0.63677%0.766SS**PPolyproline II helixtrans-70.4139.7171.200000109.3R131R131-A133 PolarHBondContact O-N 3.47Å
134P67.9Low56.7Low102 Ų102136.8 Ų136.866%0.66277%0.77SS**PPolyproline II helixtrans-66.5147.4172.128.1-32.2000110.3H136P134-H136 PolarHBondContact O-N 3.02Å
135P62.4Low56.4Low129 Ų129137.1 Ų137.184%0.83877%0.774SS**PPolyproline II helixtrans-64.9121.9-179.826.3-32.6000110.4
136H60Low55.5Low164 Ų164140.4 Ų140.476%0.75978%0.78SS**PPolyproline II helixtrans-70.4132.2170.3-54.2-88.2000108.9P134 A138P134-H136 PolarHBondContact O-N 3.02Å; H136-A138 PolarHBondContact O-N 3.28Å
137P54.3Low55.4Low128 Ų128140.5 Ų140.583%0.83179%0.79SS**PPolyproline II helixtrans-67.9133.1171.827.2-30.5000109.7G139P137-G139 PolarHBondContact O-N 3.29Å
138A51.1Low54.4Low108 Ų108141.2 Ų141.289%0.89380%0.796SS**PPolyproline II helixtrans-59.6119-177.800000112.2H136H136-A138 PolarHBondContact O-N 3.28Å
139G52.1Low53.3Low63 Ų63137.1 Ų137.165%0.64979%0.792SS**PPolyproline II helixtrans-95.9154.615700000110P137P137-G139 PolarHBondContact O-N 3.29Å
140P52.8Low52.4Low121 Ų121137.5 Ų137.579%0.78680%0.797SS**PPolyproline II helixtrans-72.5139.9-165.229.7-33.2000112.8
141H49.3Very low51.6Low147 Ų147138.7 Ų138.768%0.68180%0.8SS**PPolyproline II helixtrans-67.2126.4178.940.3-84000111.7H143H141-H143 AromaticContact CD2-CD2 3.84Å; H141-H143 AromaticContact CD2-NE2 3.44Å; H141-H143 PolarHBondContact CD2-NE2 2.75Å
142M48Very low50.8Low190 Ų190132 Ų13294%0.93680%0.795SS**  trans-101.9115.5160.8-83.9-87.3172.300107.9
143H43.8Very low49.7Very low161 Ų161132.9 Ų132.975%0.74580%0.799SS**  trans-65.8134.7-176.4-71.3-113.6000111.9H141H141-H143 AromaticContact CD2-CD2 3.84Å; H141-H143 AromaticContact CD2-NE2 3.44Å; H141-H143 PolarHBondContact CD2-NE2 2.75Å
144H48.2Very low48.4Very low181 Ų181132.8 Ų132.884%0.83881%0.805SS**  trans-124.4126.4157.9-10370.2000108
145P56.5Low46.9Very low121 Ų121133.6 Ų133.679%0.78681%0.813SS**  trans-81.4154.9-171.632.3-32.6000113.2
146H43.5Very low46.1Very low173 Ų173132.7 Ų132.780%0.80181%0.81SS**  trans-56.7144.3179-67.4-103.6000115
147M47.4Very low45Very low197 Ų197135.6 Ų135.697%0.9782%0.816SS**  trans-129.6114.1142-80.1-79.7175.400107.5
148M43.8Very low44.4Very low181 Ų181134.7 Ų134.789%0.89281%0.812SS**  trans-95.7141-179.9174.3161.9153.500108.7
149G39.5Very low43.8Very low70 Ų70134.3 Ų134.372%0.72281%0.809SS**  trans-17868.7179.100000115.7
150S39.9Very low43.1Very low117 Ų117135.1 Ų135.182%0.81882%0.818SS**  trans52.5120.7137.7-52.40000122.3
151S42.3Very low42.5Very low123 Ų123134.6 Ų134.686%0.8682%0.823SS**  trans-54.3141.7160.944.50000115.6
152A39.5Very low42.1Very low97 Ų97132.3 Ų132.380%0.80283%0.83SS**  trans-152.3132.215100000112.5
153T37.9Very low41.7Very low141 Ų141126.9 Ų126.987%0.86582%0.823SS**  trans-35.4143.8166.845.60000118.5
154G37Very low41.8Very low75 Ų75127.6 Ų127.677%0.77383%0.831SS**  82.3141.4122.500000120
155S35.8Very low41.6Very low119 Ų119127.2 Ų127.283%0.83283%0.834SS**  trans94.7114.9161.1-71.50000119.8
156S44.7Very low40.6Very low109 Ų109125.1 Ų125.176%0.76283%0.834SS**  trans-47.6141158.845.30000116
157Y38.1Very low40.4Very low226 Ų226121.6 Ų121.689%0.88684%0.835SS**  trans-162157.5133.652.6-93.2000111.3
158S40.4Very low40.4Very low108 Ų108120.4 Ų120.476%0.75583%0.832SS**  trans-85.3162.6-171.81780000113.2
159A39.5Very low40.6Very low101 Ų101117.8 Ų117.884%0.83583%0.829SS**  trans73.6134.5151.300000119.8
160G36.5Very low40.7Very low80 Ų80119.7 Ų119.783%0.82583%0.831SS**  trans160.989.3162.400000113.7
161A41.8Very low40.6Very low109 Ų109118.8 Ų118.890%0.90183%0.831SS**  trans-75.4129.316500000110.8
162A39Very low40.5Very low100 Ų100118.9 Ų118.983%0.82683%0.826SS**  trans172.2120.1155.500000105.9
163G40.5Very low40.1Very low76 Ų76120.1 Ų120.178%0.78483%0.827SS**  99.498.862.100000108.1
164L46.9Very low40.2Very low175 Ų175123.4 Ų123.492%0.91683%0.825SS**  trans-148.992.1165.1-100.3168.5000110.7
165L42.3Very low40.2Very low174 Ų174126.5 Ų126.591%0.91183%0.829SS**  trans-69.2148.7155.6-73.9159.6000109.8
166G35.9Very low40.2Very low76 Ų76124.1 Ų124.178%0.78482%0.824SS**  trans89.8135.4166.200000113.4
167A40.7Very low39.9Very low99 Ų99127.9 Ų127.982%0.81883%0.834SS**  cis-156.7143.525.200000110.8
168L47.2Very low39.7Very low172 Ų172120.5 Ų120.590%0.90183%0.827SS**  trans-73.8152.9159.9-65.8157.8000109.1
169P48.2Very low39.7Very low127 Ų127122.5 Ų122.583%0.82584%0.835SS**  trans-110.3112.8142.127.3-18.2000110.1
170S39.6Very low39.6Very low109 Ų109120.8 Ų120.876%0.76283%0.826SS**  trans-65.8134.4157.8-178.50000109.3
171A37.9Very low40Very low99 Ų99123.7 Ų123.782%0.81883%0.828SS**  trans-145.775.916300000109.7
172T40.3Very low40.6Very low125 Ų125123.6 Ų123.677%0.76782%0.818SS**  trans-71.3118.7154.8-63.30000108.3
173C32.8Very low40.4Very low123 Ų123127.4 Ų127.483%0.83182%0.816SS**  trans-139.9121.3154.660.70000109.5
174Y39.8Very low40.2Very low210 Ų210129.4 Ų129.482%0.82481%0.813SS**  trans-119.2149.2172.4-118.2-79.3000107.5
175T36.1Very low39.6Very low139 Ų139129.9 Ų129.985%0.85381%0.811SS**  trans73.4136166.169.30000116.7
176G35.1Very low39.6Very low70 Ų70128 Ų12872%0.72281%0.807SS**  cis157134.71.900000108.4
177L39.8Very low41.1Very low187 Ų187129.8 Ų129.898%0.97981%0.805SS**  trans-155.8125.7159.7-94.5178.6000108.8
178G33.9Very low41.7Very low72 Ų72130.6 Ų130.674%0.74280%0.802SS**  trans-98.7169.4-168.800000115.5
179V40.2Very low42.1Very low150 Ų150129.8 Ų129.891%0.90980%0.797SS**  trans-139.6119.7153.91760000106.5
180G36.2Very low41.5Very low64 Ų64131.5 Ų131.566%0.6680%0.799SS**  trans-73.2175.4174.600000112.5
181V46Very low42Very low141 Ų141133.3 Ų133.386%0.85580%0.8SS**  cis164.6167.324.5129.10000104.3
182P54.7Low42Very low107 Ų107137.5 Ų137.570%0.69580%0.802SS**  cis-139.7169.1-29.236.6-17.3000115.2
183K34.9Very low41.9Very low180 Ų180137 Ų13778%0.78380%0.804SS**  171.3127.9114.3-110.8-165153.582.40113.3
184T35.8Very low42.2Very low119 Ų119136.9 Ų136.973%0.7381%0.805SS**  trans61.2132.8144.158.20000118.8
185Q35.2Very low42.1Very low185 Ų185132 Ų13286%0.86480%0.801SS**  cis-172.9153.712.3177.7172.24.300107.8
186T41.1Very low42.3Very low134 Ų134130.5 Ų130.582%0.82280%0.797SS**  trans-78.5168.1-170.631.20000116.6
187P68.6Low42.8Very low114 Ų114132 Ų13274%0.7479%0.794SS**  trans-98.6-175.1-161.342.3-35.3000113.9
188P53.5Low42.8Very low116 Ų116131.9 Ų131.975%0.75379%0.788SS**  -154.517093.338.4-17.6000117.7
189L55.7Low43Very low154 Ų154133.7 Ų133.781%0.80679%0.789SS**  trans-51.6142.7155.6-96.965.7000111.3
190D35.2Very low42.9Very low163 Ų163132.2 Ų132.287%0.87279%0.785SS**  trans-142.2126147.6-101.1-42000111.5
191L48.7Very low43Very low148 Ų148135 Ų13578%0.77579%0.79SS**  trans-87151163.8-79.4155.2000107.9
192Q39.2Very low42.8Very low186 Ų186136.8 Ų136.887%0.86979%0.793SS**  trans99.695.6159.7-51.2-170.5-68.900118.8
193S37.9Very low42.4Very low114 Ų114136 Ų13680%0.79779%0.791SS**  53.1131.9119.7-590000124.2
194S39.9Very low42.8Very low122 Ų122135.4 Ų135.485%0.85380%0.795SS**  trans86107.3146.1-73.40000120.1
195S36.1Very low42.9Very low107 Ų107135 Ų13575%0.74880%0.797SS**  166.5102.9116.2177.60000113.1
196S40.1Very low43.4Very low108 Ų108132.6 Ų132.676%0.75580%0.797SS**  trans67.5170.9139.781.10000119.9
197P47.3Very low43.5Very low101 Ų101132.8 Ų132.866%0.65680%0.798SS**  -113155.2-107.728.8-9.7000112.2
198H39.9Very low41.9Very low185 Ų185130.3 Ų130.386%0.85679%0.793SS**  trans169.7145.3142.7-95.976000110.1
199S36.9Very low41.3Very low109 Ų109130 Ų13076%0.76279%0.794SS**  trans84.886.3169.9-51.20000115
200S38.1Very low40.5Very low119 Ų119128.8 Ų128.883%0.83279%0.788SS**  108.7104.870-83.90000108.8
201T38.8Very low40.7Very low124 Ų124129.7 Ų129.776%0.76179%0.787SS**  trans-80.5123.9-176650000110.1
202L41.8Very low40.2Very low178 Ų178126 Ų12693%0.93278%0.777SS**  trans-113.776.5159.4-88167.8000108.7
203S45.6Very low40.2Very low91 Ų91126.1 Ų126.164%0.63678%0.775SS**  trans-133.698.2168.153.40000107.4
204L42.6Very low40.4Very low166 Ų166126 Ų12687%0.86977%0.77SS**  trans-114.291.9168.8-68.3177.1000108.5
205S38.9Very low40.2Very low110 Ų110129.1 Ų129.177%0.76977%0.768SS**  trans-74.5135.2148.6-61.10000108
206P46.1Very low40Very low135 Ų135129.4 Ų129.488%0.87776%0.761SS**  trans-100.3106.3162.410.19.6000109
207V41.8Very low39.8Very low138 Ų138134.6 Ų134.684%0.83676%0.764SS**  trans-119.8130.416063.50000108.5
208G36.3Very low39.4Very low62 Ų62135 Ų13564%0.63977%0.77SS**  trans91.993.6140.800000118.3
209S39.6Very low40.2Very low111 Ų111131.7 Ų131.778%0.77676%0.764SS**  85124.1112.9-65.80000122.4
210D39.1Very low40Very low128 Ų128132.1 Ų132.168%0.68476%0.762SS**  trans76.6115.9134.3-86.7-77.9000120.8
211H39.3Very low39.8Very low182 Ų182131.8 Ų131.884%0.84376%0.755SS**  -164.3129.392.3-113-91.5000114.1
212A37.8Very low39.6Very low69 Ų69134.4 Ų134.457%0.5776%0.759SS**  trans-17.1160.5161.100000123.5
213K40.5Very low39.2Very low189 Ų189131.9 Ų131.982%0.82276%0.756SS**  trans105.7131.8148.1-56.7-159.4-172.3-174.30114.1
214V41.5Very low38.8Very low113 Ų113131.9 Ų131.969%0.68576%0.761SS**  cis-172.1142.98.7-97.80000107.1
215F35.4Very low39Very low187 Ų187130 Ų13082%0.8276%0.759SS**  trans59.7135141.8-81.9-98.1000124.5
216D33.4Very low38.8Very low112 Ų112130.4 Ų130.460%0.59976%0.762SS**  trans91.6103.8134.8-105.4-126.8000121.9
217R36Very low38.8Very low218 Ų218129.6 Ų129.682%0.82376%0.755SS**  64.1108107.2-149.8173.6-178.1-165.3-1.3117.3
218S37.4Very low39Very low110 Ų110129.1 Ų129.177%0.76975%0.754SS**  trans-62.3158.1150.2-54.90000109.7
219P56.3Low39.2Very low115 Ų115129.5 Ų129.575%0.74775%0.751SS**  cis-145.8-166.227.236.5-11.8000115.3
220V34.6Very low39.6Very low118 Ų118130.5 Ų130.572%0.71576%0.755SS**  trans94.7102.2151.4165.50000120.6
221T32.5Very low39.6Very low112 Ų112128.4 Ų128.469%0.68776%0.755SS**  81.7138123.572.30000126.2
222Q35.7Very low40.3Very low178 Ų178125 Ų12583%0.83275%0.75SS**  trans92.8105.8146-47.1-160.9-13.400120.2
223S32.7Very low40Very low125 Ų125129.5 Ų129.587%0.87476%0.763SS**  -177.3120.291.841.50000111.3
224A37.8Very low39.8Very low91 Ų91126.6 Ų126.675%0.75276%0.761SS**  trans-95.3168.7160.700000107.4
225P45.6Very low39.5Very low127 Ų127127.2 Ų127.283%0.82577%0.766SS**  -150.3143.664.836.2-15.2000115.9
226S34.8Very low39.5Very low119 Ų119123.7 Ų123.783%0.83276%0.76SS**  trans-159.899.3136.258.80000108.4
227V47.9Very low39.7Very low118 Ų118123.8 Ų123.872%0.71577%0.769SS**  trans-119.7150.7161.9-159.10000104.9A229V227-A229 HydrophobicContact CG1-CB 4.29Å
228P45.1Very low40.2Very low128 Ų128119 Ų11983%0.83177%0.767SS**  -136.2136.987.321.7-1000113.3
229A41.3Very low40.4Very low70 Ų70121.4 Ų121.458%0.57977%0.77SS**  trans-74.9178.415700000109V227V227-A229 HydrophobicContact CG1-CB 4.29Å
230P47.6Very low40.1Very low131 Ų131121.5 Ų121.585%0.85177%0.77SS**  -139150.183.926.2-6000114.3
231A38.2Very low40.4Very low84 Ų84120 Ų12069%0.69477%0.77SS**  trans-79.3-152.4170.700000110.3
232P53.7Low41.1Very low112 Ų112120.8 Ų120.873%0.72778%0.778SS**  cis-126.6-166.9-32.122.21.7000109.1
233L31.2Very low41.3Very low163 Ų163115.8 Ų115.885%0.85377%0.773SS**  179.4117.4125.5-89177.6000110.1
234T37.5Very low41.7Very low127 Ų127118.4 Ų118.478%0.77978%0.777SS**  trans-63.2144.6151.342.30000110.1
235T35.4Very low41.9Very low127 Ų127121.8 Ų121.878%0.77978%0.781SS**  trans143.1141.9134.4-151.90000113.8
236T34.3Very low41.7Very low112 Ų112124.7 Ų124.769%0.68779%0.786SS**  trans78.6110.6143.9-53.10000119.6
237S38.2Very low42.6Very low114 Ų114124 Ų12480%0.79778%0.778SS**  trans-49.3144150.3-760000111.4
238P47.4Very low42.1Very low119 Ų119123.7 Ų123.777%0.77378%0.782SS**  -149.315786.132.5-11.2000116.3
239L41.3Very low41.9Very low160 Ų160121.7 Ų121.784%0.83878%0.776SS**  trans-32.8162.9160.2-80.4139.2000115.5
240P48.3Very low41.7Very low116 Ų116128.4 Ų128.475%0.75379%0.792SS**  cis-155.5149.849.838.6-15.2000120.7
241A41.9Very low41.3Very low87 Ų87133.4 Ų133.472%0.71979%0.794SS**  trans65.1169.1137.600000120.2
242P47.8Very low41.6Very low129 Ų129135.1 Ų135.184%0.83880%0.798SS**  cis-128148.5-7.734.9-17.6000113.6
243G39.3Very low40.8Very low72 Ų72134 Ų13474%0.74280%0.798SS**SBendtrans169.987.9166.600000114.2
244L41Very low41.2Very low181 Ų181131.4 Ų131.495%0.94879%0.794SS**  trans68.474.1171.6-77.3100.7000117.6
245L41.5Very low41.1Very low161 Ų161131.5 Ų131.584%0.84379%0.79SS**  trans-82.6135.8138-74.4164000108.2
246M42.8Very low41.5Very low188 Ų188132.5 Ų132.593%0.92679%0.787SS**  -146.8123.9126.3-81.2-128.6101.500110.5
247P52.7Low41.8Very low104 Ų104132 Ų13268%0.67579%0.788SS**  trans-101.5153.516937.8-29.2000110.9
248S37.9Very low42.5Very low113 Ų113132 Ų13279%0.7979%0.785SS**  trans-177.8108.7151.1-150.90000108.5
249A40.1Very low43.2Very low85 Ų85131.7 Ų131.770%0.70278%0.784SS**  64.3117.373.900000115.3
250K36.8Very low43.5Very low211 Ų211129.6 Ų129.692%0.91778%0.779SS**  trans67.4120.9145.2-92.6173.6170.2176.20121.1
251R39.8Very low43.3Very low237 Ų237129.9 Ų129.989%0.89478%0.779SS**  trans-43.5161.8158.9-70.9178.5-103.7-133.3-4.9115.1
252P44.8Very low43.2Very low119 Ų119131.6 Ų131.677%0.77378%0.781SS**  -127.7146.385.56.417.1000112.8
253A37.2Very low43.1Very low89 Ų89130.5 Ų130.574%0.73677%0.772SS**  51.9126.79800000112.6
254S40.3Very low43.5Very low108 Ų108133.8 Ų133.876%0.75578%0.777SS**  cis-175.6178.646.435.60000110.5
255D35.1Very low43.8Very low130 Ų130132.1 Ų132.170%0.69577%0.768SS**  trans85.985.7165.2-76.9-39.4000119.6
256M43.3Very low44Very low147 Ų147128.4 Ų128.472%0.72476%0.761SS**  -178.3106.583.1-101.7-69.6112.900111.8
257S41.2Very low44.2Very low102 Ų102128.5 Ų128.571%0.71376%0.759SS**  trans59.7157.8134.5-106.60000123.2
258P51.7Low44.2Very low114 Ų114129.1 Ų129.174%0.7476%0.763SS**  -127.3-173.7-117.128-1000113.5
259P61.5Low44.9Very low113 Ų113132.9 Ų132.973%0.73477%0.765SS**  trans-101.3-171.3-155.142.7-35.4000113.8
260P48Very low45.7Very low115 Ų115134.7 Ų134.775%0.74777%0.77SS**  -144.1144.789.924.1-1.2000116.3
261T44Very low46.9Very low122 Ų122134 Ų13475%0.74877%0.767SS**  trans39.3125.2132.8-10.10000119.9
262T41.3Very low48Very low123 Ų123130.4 Ų130.476%0.75576%0.764SS**  -178.6106.5127.8-76.30000111.3
263T44.4Very low48.7Very low107 Ų107133.5 Ų133.566%0.65677%0.766SS**  61.9114.1122.7-41.90000120.6I265T263-I265 HydrophobicContact CG2-CG1 4.22Å; T263-I265 PolarHBondContact O-N 3.23Å
264V47.4Very low49.9Very low140 Ų140137.9 Ų137.985%0.84877%0.768SS**  trans-38.1116.7151.2-178.80000111.7
265I48.1Very low50.9Low146 Ų146138.4 Ų138.475%0.74977%0.769SS**  trans-134.4111.8163.3-61-179.4000109.4T263T263-I265 HydrophobicContact CG2-CG1 4.22Å; T263-I265 PolarHBondContact O-N 3.23Å
266A46.3Very low51.4Low84 Ų84142.2 Ų142.269%0.69478%0.775SS**  trans-54.1133.9168.900000111P268A266-P268 WeakPolarHBondContact O-CD 3.46Å
267E46.1Very low52Low190 Ų190144.9 Ų144.989%0.88878%0.783SS**  trans-60.3120.1175.6-147.1179.7-178.400110K269E267-K269 PolarHBondContact O-N 3.2Å
268P52.6Low52.5Low117 Ų117146.6 Ų146.676%0.7679%0.789SS**  trans-79.1113.8-175.728.4-31.6000111.5A266A266-P268 WeakPolarHBondContact O-CD 3.46Å
269K53.3Low52.4Low191 Ų191150.4 Ų150.483%0.8380%0.797SS**  trans-29.3123.2163.1-170.6171.3-173.2166.20112.8E267 K271E267-K269 PolarHBondContact O-N 3.2Å; K269-K271 PolarHBondContact O-N 3.22Å
270P57.4Low51.8Low124 Ų124153.4 Ų153.481%0.80583%0.831SS**  trans-64.7131.7178.924.9-32.1000110.6L272P270-L272 PolarHBondContact O-N 2.94Å
271K61.8Low52Low197 Ų197155.3 Ų155.386%0.85784%0.835SS**  trans-58.6115.2-171.3-66.7177.9-178.61730111.1K269 F273K269-K271 PolarHBondContact O-N 3.22Å; K271-F273 PolarHBondContact O-N 3.12Å; K271-F273 VanDerWaalsContact O-N 3.14Å
272L62.2Low52.4Low161 Ų161157.1 Ų157.184%0.84384%0.84SS**  trans-50.7110.7163.8-174.863.3000108.8P270 K274P270-L272 PolarHBondContact O-N 2.94Å; L272-K274 PolarHBondContact O-N 3.05Å
273F59.6Low53.1Low184 Ų184158.9 Ų158.981%0.80785%0.845SS**PPolyproline II helixtrans-53.4120.2175.7-111.3-103.8000109.3K271K271-F273 PolarHBondContact O-N 3.12Å; K271-F273 VanDerWaalsContact O-N 3.14Å
274K62.8Low53.6Low180 Ų180162 Ų16278%0.78386%0.856SS**PPolyproline II helixtrans-76.7128.8172.4-67.8159.9178.7176.60107.3L272 Y276L272-K274 PolarHBondContact O-N 3.05Å; K274-Y276 PolarHBondContact O-N 3.47Å
275P61.6Low54Low119 Ų119163.4 Ų163.477%0.77386%0.856SS**PPolyproline II helixtrans-65.3128.3169.826.9-30.9000108.4K277P275-K277 PolarHBondContact O-N 3.32Å
276Y45.6Very low54.4Low211 Ų211164.5 Ų164.583%0.82786%0.863SS**PPolyproline II helixtrans-58.3121.2171-69.7-88.3000108.4K274 T278K274-Y276 PolarHBondContact O-N 3.47Å; Y276-T278 PolarHBondContact O-N 3.44Å
277K54.5Low54.9Low202 Ų202170.3 Ų170.388%0.87888%0.875SS**PPolyproline II helixtrans-68.6118.9163.7-81.5178.2154.3-174.50107.4P275 E279P275-K277 PolarHBondContact O-N 3.32Å; K277-E279 PolarHBondContact O-N 3.21Å
278T51.9Low55.6Low138 Ų138168.8 Ų168.885%0.84787%0.874SS**  trans-69.2113.9160-6.40000107Y276Y276-T278 PolarHBondContact O-N 3.44Å
279E49.5Very low55.9Low195 Ų195173.1 Ų173.191%0.91188%0.884SS**  trans-68.9138.7162.5-66.2-155137.400108.7K277K277-E279 PolarHBondContact O-N 3.21Å
280A50.2Low56.1Low175 Ų175171.5 Ų171.5100%1.44689%0.889SS**  trans-123.8016900000107.2

Retrieved 280 of 280 residues in 83.7 ms (Link to these results)