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Glutamine-dependent NAD(+) synthetase

AlphaFold DB (Q9VYA0), UniProt , Accession X2JF87, Species DROME (Drosophila melanogaster, Fruit fly), Gene Nadsyn, Length 787 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
1M61.9Low91.2Very high204 Ų20433.6 Ų33.6100%1.00516%0.158SC*.  0132.30-65.4170.6-178.200106.4
2G70.9Confident91.8Very high10 Ų1030.8 Ų30.810%0.10315%0.145CC..  trans-65.1140.8169.600000110.7R279 S308G2-R279 PolarHBondContact O-NH1 3.5Å; G2-S308 WeakPolarHBondContact CA-OG 3.42Å
3R87.1Confident92.3Very high115 Ų11528.7 Ų28.743%0.43414%0.135SC..  trans-113.8-65.7-179-68.4-165.261.5149.7-3.4112D274 L275 E276 D312R3-D274 IonicContact CZ-OD1 3.54Å; R3-D274 IonicContact CZ-OD2 2.67Å; R3-D274 IonicContact NE-OD1 3.5Å; R3-D274 PolarHBondContact NE-OD1 3.48Å; R3-D274 IonicContact NE-OD2 3.51Å; R3-D274 PolarHBondContact NE-OD2 3.04Å; R3-D274 IonicContact NH2-OD1 2.86Å; R3-D274 IonicContact NH2-OD2 2.69Å; R3-D274 PolarHBondContact NH2-OD2 3.37Å; R3-D274 CarbonylContact O-C 3.4Å; R3-D274 WeakPolarHBondContact O-CA 3.08Å; R3-L275 WeakPolarHBondContact O-CG 3.19Å; R3-L275 PolarHBondContact O-N 3.02Å; R3-E276 HydrophobicContact CG-CG 3.93Å; R3-D312 WeakPolarHBondContact CA-OD2 3.47Å; R3-D312 WeakPolarHBondContact CB-OD2 3.49Å; R3-D312 PolarHBondContact N-OD2 3.14Å
4K95.6Very high92.8Very high31 Ų3126.8 Ų26.814%0.13513%0.126CC..EExtended strand (participates in β ladder)trans-103.2103.3-169-59.3-176.8-163.9151.20112.4T272 I273 D274 D312 I313 K315K4-T272 HydrophobicContact CB-CG2 4Å; K4-I273 VanDerWaalsContact CA-O 3.3Å; K4-I273 WeakPolarHBondContact CA-O 3.24Å; K4-D274 HydrophobicContact CG-CB 4.01Å; K4-D312 HydrophobicContact CB-CB 4.08Å; K4-D312 WeakPolarHBondContact CD-O 3.38Å; K4-D312 PolarHBondContact N-OD2 2.83Å; K4-I313 PolarHBondContact NZ-O 2.84Å; K4-K315 HydrophobicContact CB-CB 4.37Å; K4-K315 HydrophobicContact CD-CB 4.24Å; K4-K315 WeakPolarHBondContact CD-O 3.26Å; K4-K315 WeakPolarHBondContact CE-O 3.18Å; K4-K315 PolarHBondContact NZ-O 2.92Å
5V96.9Very high93.2Very high0 Ų031.4 Ų31.40%014%0.142CC..EExtended strand (participates in β ladder)trans-90148.8172.9-60.50000110V7 T272 I273 L275 M307V5-V7 HydrophobicContact CB-CG1 4.44Å; V5-V7 HydrophobicContact CG2-CG1 4.12Å; V5-T272 CarbonylContact O-C 3.53Å; V5-T272 VanDerWaalsContact O-CA 3.29Å; V5-T272 WeakPolarHBondContact O-CA 3.28Å; V5-I273 HydrophobicContact CG2-CB 4.17Å; V5-I273 PolarHBondContact N-O 3.04Å; V5-I273 PolarHBondContact O-N 3.36Å; V5-L275 HydrophobicContact CG1-CD1 3.76Å; V5-L275 HydrophobicContact CG1-CD2 4.49Å; V5-L275 HydrophobicContact CG1-CG 4.18Å; V5-L275 HydrophobicContact CG2-CD2 4.02Å; V5-L275 HydrophobicContact CG2-CG 4.27Å; V5-M307 HydrophobicContact CB-CB 4.27Å; V5-M307 HydrophobicContact CB-CE 4.28Å; V5-M307 HydrophobicContact CG1-CB 3.6Å; V5-M307 HydrophobicContact CG1-CE 4.46Å
6T97.5Very high93.5Very high9 Ų931 Ų316%0.05515%0.146CC..EExtended strand (participates in β ladder)trans-119.1121.5174.2-56.80000107.7G37 A38 S39 L270 A271 T272 K315T6-G37 WeakPolarHBondContact CB-O 3.41Å; T6-A38 CarbonylContact O-C 3.49Å; T6-A38 WeakPolarHBondContact O-CA 3.37Å; T6-S39 PolarHBondContact O-N 3.16Å; T6-S39 PolarHBondContact O-OG 2.78Å; T6-L270 HydrophobicContact CG2-CD2 4Å; T6-A271 WeakPolarHBondContact CA-O 3.49Å; T6-T272 PolarHBondContact OG1-OG1 3.29Å; T6-K315 PolarHBondContact OG1-NZ 3.46Å
7V98.4Very high93.8Very high0 Ų032.6 Ų32.60%016%0.155CC..EExtended strand (participates in β ladder)trans-128.5144.3-167.1-62.70000110.6V5 Y40 L195 L228 I248 L270 A271 I273 M307V5-V7 HydrophobicContact CB-CG1 4.44Å; V5-V7 HydrophobicContact CG2-CG1 4.12Å; V7-Y40 HydrophobicContact CB-CD1 4.4Å; V7-Y40 HydrophobicContact CG1-CD1 4.29Å; V7-L195 HydrophobicContact CG1-CD1 4.34Å; V7-L228 HydrophobicContact CB-CD1 4.43Å; V7-L228 HydrophobicContact CB-CD2 4.38Å; V7-L228 HydrophobicContact CG2-CD1 4.43Å; V7-L228 HydrophobicContact CG2-CD2 3.63Å; V7-I248 HydrophobicContact CG2-CD1 4.33Å; V7-L270 VanDerWaalsContact O-CA 3.29Å; V7-L270 WeakPolarHBondContact O-CA 3.38Å; V7-A271 PolarHBondContact N-O 3.04Å; V7-A271 PolarHBondContact O-N 2.91Å; V7-A271 VanDerWaalsContact O-N 3.1Å; V7-I273 HydrophobicContact CG2-CD1 3.93Å; V7-M307 HydrophobicContact CG1-CE 3.68Å
8A98.6Very high94.1Very high1 Ų132.7 Ų32.71%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-122.1131.2-174.600000112.4A33 A38 Y40 T42 V268 T269 L270A8-A33 HydrophobicContact CB-CB 3.64Å; A8-A38 HydrophobicContact CB-CB 3.93Å; A8-Y40 PolarHBondContact N-O 3.46Å; A8-T42 PolarHBondContact O-N 3.14Å; A8-V268 HydrophobicContact CB-CG1 3.84Å; A8-T269 WeakPolarHBondContact CA-O 3.48Å; A8-L270 HydrophobicContact CB-CD2 4.29Å; A8-L270 HydrophobicContact CB-CG 3.91Å
9V98.7Very high94.3Very high0 Ų032.6 Ų32.60%016%0.156CC..EExtended strand (participates in β ladder)trans-106.5133.4167-630000109.3T42 L228 S230 I248 T269V9-T42 HydrophobicContact CB-CG2 4.48Å; V9-T42 HydrophobicContact CG1-CG2 3.91Å; V9-L228 HydrophobicContact CG1-CB 3.89Å; V9-L228 HydrophobicContact CG1-CD2 4.47Å; V9-S230 WeakPolarHBondContact CA-OG 3.19Å; V9-S230 VanDerWaalsContact CB-OG 3.31Å; V9-S230 WeakPolarHBondContact CB-OG 3.43Å; V9-I248 HydrophobicContact CB-CG1 4.45Å; V9-I248 HydrophobicContact CG1-CD1 4.31Å; V9-I248 HydrophobicContact CG1-CG1 3.78Å; V9-I248 HydrophobicContact CG2-CD1 4.1Å; V9-I248 HydrophobicContact CG2-CG1 3.82Å; V9-T269 HydrophobicContact CG2-CG2 4.18Å; V9-T269 PolarHBondContact N-O 2.93Å; V9-T269 PolarHBondContact O-N 3.3Å
10S98.6Very high94.5Very high0 Ų034.8 Ų34.80%017%0.166CC..EExtended strand (participates in β ladder)trans-105.8127.9-174.5-47.90000111R41 T42 P44 S230S10-R41 PolarHBondContact OG-NE 3.31Å; S10-R41 VanDerWaalsContact OG-NE 3.11Å; S10-T42 VanDerWaalsContact CB-O 3.27Å; S10-T42 WeakPolarHBondContact CB-O 3.26Å; S10-T42 PolarHBondContact N-O 2.98Å; S10-T42 VanDerWaalsContact N-O 3.1Å; S10-T42 PolarHBondContact OG-O 2.93Å; S10-P44 WeakPolarHBondContact O-CD 3.42Å; S10-P44 WeakPolarHBondContact O-CG 3.41Å; S10-S230 PolarHBondContact N-OG 2.87Å
11T98.7Very high94.7Very high0 Ų033.8 Ų33.80%016%0.164CC..EExtended strand (participates in β ladder)trans-100.8117168.9-47.80000108.4N231 R233 S246 S258 E267T11-N231 WeakPolarHBondContact CA-O 3.25Å; T11-R233 HydrophobicContact CG2-CB 3.52Å; T11-S246 WeakPolarHBondContact OG1-CB 3.21Å; T11-S246 PolarHBondContact OG1-OG 3.42Å; T11-S258 WeakPolarHBondContact OG1-CB 3.49Å; T11-S258 PolarHBondContact OG1-OG 2.86Å; T11-E267 WeakPolarHBondContact CB-O 3.38Å; T11-E267 PolarHBondContact N-O 3.5Å; T11-E267 PolarHBondContact O-N 2.98Å; T11-E267 PolarHBondContact OG1-O 3.26Å
12L98.7Very high96.5Very high0 Ų024 Ų240%012%0.116CC..EExtended strand (participates in β ladder)trans-123143-175.2-56.9-173.4000112.6Q14 R25 I26 P44 E47 L232 R233 D265 V266L12-Q14 HydrophobicContact CB-CG 3.91Å; L12-Q14 HydrophobicContact CD1-CG 4.35Å; L12-Q14 PolarHBondContact O-N 2.84Å; L12-R25 HydrophobicContact CD2-CB 4.44Å; L12-I26 HydrophobicContact CD1-CG1 3.84Å; L12-P44 HydrophobicContact CB-CG 4.13Å; L12-P44 HydrophobicContact CG-CG 4.2Å; L12-E47 HydrophobicContact CD1-CB 4.4Å; L12-E47 WeakPolarHBondContact CD1-OE2 3.27Å; L12-L232 WeakPolarHBondContact O-CA 3.28Å; L12-L232 WeakPolarHBondContact O-CD2 3.45Å; L12-R233 PolarHBondContact O-N 3.39Å; L12-D265 WeakPolarHBondContact CA-O 3.28Å; L12-V266 HydrophobicContact CD2-CB 4.38Å; L12-V266 HydrophobicContact CD2-CG1 4.07Å; L12-V266 HydrophobicContact CD2-CG2 4.05Å
13N98.5Very high97.8Very high3 Ų324.9 Ų24.92%0.01612%0.118CC..  trans-95.966.4171-163.4-10.7000111.2R25 R233 G234 D265 D342 R345 R346N13-R25 WeakPolarHBondContact O-CD 3.49Å; N13-R25 PolarHBondContact O-NE 2.92Å; N13-R233 WeakPolarHBondContact CA-O 3.49Å; N13-R233 WeakPolarHBondContact CB-O 3.5Å; N13-R233 PolarHBondContact OD1-O 2.64Å; N13-G234 WeakPolarHBondContact OD1-CA 3.3Å; N13-D265 HydrophobicContact CB-CB 4.23Å; N13-D265 WeakPolarHBondContact CB-OD1 3.44Å; N13-D265 PolarHBondContact N-O 3.14Å; N13-D265 PolarHBondContact ND2-OD1 3.43Å; N13-D342 VanDerWaalsContact ND2-CG 3.26Å; N13-D342 PolarHBondContact ND2-OD1 2.91Å; N13-D342 PolarHBondContact ND2-OD2 3.49Å; N13-R345 PolarHBondContact ND2-NH2 3.44Å; N13-R345 VanDerWaalsContact ND2-NH2 3.19Å; N13-R346 VanDerWaalsContact CG-NH2 3.34Å; N13-R346 PolarHBondContact O-NH2 3.06Å; N13-R346 PolarHBondContact OD1-NH1 2.94Å; N13-R346 VanDerWaalsContact OD1-NH1 3.13Å; N13-R346 PolarHBondContact OD1-NH2 3.1Å
14Q98.7Very high98.3Very high2 Ų220.3 Ų20.31%0.00910%0.103CC..  trans-66.6162177.6-53.6-54.47300111.2L12 N22 R25 E47 L232 D236 R346L12-Q14 HydrophobicContact CB-CG 3.91Å; L12-Q14 HydrophobicContact CD1-CG 4.35Å; L12-Q14 PolarHBondContact O-N 2.84Å; Q14-N22 WeakPolarHBondContact CA-OD1 3.31Å; Q14-N22 VanDerWaalsContact CB-OD1 3.27Å; Q14-N22 WeakPolarHBondContact CB-OD1 3.31Å; Q14-N22 VanDerWaalsContact NE2-CA 3.32Å; Q14-N22 VanDerWaalsContact NE2-CB 3.34Å; Q14-N22 PolarHBondContact NE2-O 2.89Å; Q14-N22 VanDerWaalsContact NE2-O 3.13Å; Q14-R25 VanDerWaalsContact OE1-CB 3.25Å; Q14-E47 HydrophobicContact CG-CB 4.17Å; Q14-E47 WeakPolarHBondContact CG-O 3.03Å; Q14-E47 PolarHBondContact NE2-O 3.15Å; Q14-L232 HydrophobicContact CB-CD2 3.84Å; Q14-L232 HydrophobicContact CG-CD2 3.59Å; Q14-D236 WeakPolarHBondContact O-CA 3.46Å; Q14-D236 WeakPolarHBondContact O-CB 3.26Å; Q14-R346 PolarHBondContact O-NH1 3.32Å
15W98.7Very high98.5Very high96 Ų9620.2 Ų20.236%0.36410%0.102SC..  trans-130.8136.1175.6-176.618.8000108.5L17 D18 N22 R346W15-L17 PolarHBondContact O-N 3.48Å; W15-D18 HydrophobicContact CB-CB 3.61Å; W15-D18 HydrophobicContact CD2-CB 4.09Å; W15-D18 HydrophobicContact CE3-CB 3.87Å; W15-D18 HydrophobicContact CG-CB 4.02Å; W15-D18 WeakPolarHBondContact O-CB 3.5Å; W15-D18 PolarHBondContact O-N 3.06Å; W15-D18 VanDerWaalsContact O-N 3.12Å; W15-N22 PolarHBondContact N-OD1 2.73Å; W15-N22 PolarHBondContact O-ND2 3.11Å; W15-N22 PolarHBondContact O-OD1 3.15Å; W15-R346 HydrophobicContact CD2-CB 4.47Å; W15-R346 HydrophobicContact CD2-CG 4.21Å; W15-R346 HydrophobicContact CE3-CG 4.25Å; W15-R346 HydrophobicContact CH2-CB 4.09Å; W15-R346 HydrophobicContact CZ2-CB 3.9Å; W15-R346 HydrophobicContact CZ2-CG 4.49Å; W15-R346 HydrophobicContact CZ3-CB 4.46Å; W15-R346 HydrophobicContact CZ3-CG 4.4Å
16A98.7Very high98.6Very high25 Ų2520.2 Ų20.221%0.20710%0.102CC..THydrogen-bonded Turntrans-58124.1-17800000111.2D18 C49 D236A16-D18 PolarHBondContact O-N 3.35Å; A16-C49 CarbonylContact C-O 3.56Å; A16-C49 WeakPolarHBondContact CA-O 3.26Å; A16-D236 VanDerWaalsContact CB-O 3.3Å; A16-D236 WeakPolarHBondContact CB-O 3.43Å; A16-D236 PolarHBondContact N-O 3.31Å
17L98.7Very high98.6Very high58 Ų5820.4 Ų20.430%0.30410%0.102SC..THydrogen-bonded Turntrans64.55.3-176.6-47.4178.2000116.3W15 F19 C49 C53 H56 T62W15-L17 PolarHBondContact O-N 3.48Å; L17-F19 HydrophobicContact CB-CE2 4.13Å; L17-F19 HydrophobicContact CD2-CE2 3.96Å; L17-F19 HydrophobicContact CD2-CZ 4.03Å; L17-F19 WeakPolarHBondContact O-CD2 3.45Å; L17-F19 PolarHBondContact O-N 3.48Å; L17-C49 PolarHBondContact N-O 3.34Å; L17-C53 HydrophobicContact CD2-CB 4.28Å; L17-H56 HydrophobicContact CD1-CB 4.13Å; L17-H56 HydrophobicContact CD2-CB 4.18Å; L17-T62 HydrophobicContact CD2-CG2 4.22Å
18D98.7Very high98.6Very high34 Ų3421 Ų2118%0.18211%0.105CC..  trans-75.262.2170.2179.317.7000110.6W15 A16 E20 G21 N22 R25W15-D18 HydrophobicContact CB-CB 3.61Å; W15-D18 HydrophobicContact CD2-CB 4.09Å; W15-D18 HydrophobicContact CE3-CB 3.87Å; W15-D18 HydrophobicContact CG-CB 4.02Å; W15-D18 WeakPolarHBondContact O-CB 3.5Å; W15-D18 PolarHBondContact O-N 3.06Å; W15-D18 VanDerWaalsContact O-N 3.12Å; A16-D18 PolarHBondContact O-N 3.35Å; D18-E20 PolarHBondContact O-N 3.3Å; D18-G21 PolarHBondContact O-N 2.7Å; D18-G21 WeakPolarHBondContact OD1-CA 3.21Å; D18-G21 PolarHBondContact OD1-N 2.69Å; D18-G21 WeakPolarHBondContact OD2-CA 3.42Å; D18-N22 WeakPolarHBondContact O-CB 3.16Å; D18-N22 PolarHBondContact O-N 3.14Å; D18-N22 PolarHBondContact O-ND2 3.44Å; D18-N22 VanDerWaalsContact O-ND2 3.17Å; D18-N22 PolarHBondContact O-OD1 2.99Å; D18-R25 IonicContact OD2-CZ 3.1Å; D18-R25 IonicContact OD2-NH1 2.81Å; D18-R25 PolarHBondContact OD2-NH1 2.64Å; D18-R25 IonicContact OD2-NH2 3.63Å; D18-R25 PolarHBondContact OD2-NH2 2.89Å
19F98.8Very high98.6Very high32 Ų3221 Ų2114%0.1411%0.105CC..Hα-helixtrans-56.8-34.5-174.1-70.7-73.8000112.9L17 M23 C49 T62 H65 V69L17-F19 HydrophobicContact CB-CE2 4.13Å; L17-F19 HydrophobicContact CD2-CE2 3.96Å; L17-F19 HydrophobicContact CD2-CZ 4.03Å; L17-F19 WeakPolarHBondContact O-CD2 3.45Å; L17-F19 PolarHBondContact O-N 3.48Å; F19-M23 WeakPolarHBondContact O-CB 3.39Å; F19-M23 PolarHBondContact O-N 3.46Å; F19-C49 HydrophobicContact CE1-CB 3.75Å; F19-C49 HydrophobicContact CZ-CB 4.12Å; F19-T62 HydrophobicContact CZ-CG2 4.41Å; F19-H65 HydrophobicContact CD1-CB 3.81Å; F19-H65 HydrophobicContact CD2-CB 3.68Å; F19-H65 HydrophobicContact CE1-CB 3.75Å; F19-H65 HydrophobicContact CE2-CB 3.63Å; F19-H65 HydrophobicContact CG-CB 3.78Å; F19-H65 HydrophobicContact CZ-CB 3.68Å; F19-V69 HydrophobicContact CB-CG2 3.84Å; F19-V69 HydrophobicContact CD1-CG2 4.15Å; F19-V69 HydrophobicContact CG-CG2 4.47Å; F19-V69 WeakPolarHBondContact O-CG2 3.41Å
20E98.5Very high98.6Very high76 Ų7621 Ų2136%0.35511%0.105SC..Hα-helixtrans-74.1-52.8178.6-175.6154-130.400112.2D18 N22 M23 V24 D781D18-E20 PolarHBondContact O-N 3.3Å; E20-N22 VanDerWaalsContact C-N 3.33Å; E20-N22 PolarHBondContact O-N 2.81Å; E20-M23 WeakPolarHBondContact O-CB 3.49Å; E20-M23 PolarHBondContact O-N 3.37Å; E20-V24 WeakPolarHBondContact O-CG2 3.43Å; E20-V24 PolarHBondContact O-N 2.89Å; E20-D781 WeakPolarHBondContact OE1-CA 3.28Å
21G98.3Very high98.6Very high13 Ų1322.4 Ų22.413%0.13411%0.112CC..Hα-helixtrans-64.1-37.3176.300000112.5D18 V24 R25D18-G21 PolarHBondContact O-N 2.7Å; D18-G21 WeakPolarHBondContact OD1-CA 3.21Å; D18-G21 PolarHBondContact OD1-N 2.69Å; D18-G21 WeakPolarHBondContact OD2-CA 3.42Å; G21-V24 PolarHBondContact O-N 3.43Å; G21-R25 WeakPolarHBondContact O-CB 3.48Å; G21-R25 VanDerWaalsContact O-CG 3.24Å; G21-R25 WeakPolarHBondContact O-CG 3.33Å; G21-R25 PolarHBondContact O-N 3.29Å; G21-R25 PolarHBondContact O-NH1 2.92Å
22N98.8Very high98.5Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-63.2-42.7174.8-68.8-16.3000111.5Q14 W15 D18 E20 R25 I26 V48 C49Q14-N22 WeakPolarHBondContact CA-OD1 3.31Å; Q14-N22 VanDerWaalsContact CB-OD1 3.27Å; Q14-N22 WeakPolarHBondContact CB-OD1 3.31Å; Q14-N22 VanDerWaalsContact NE2-CA 3.32Å; Q14-N22 VanDerWaalsContact NE2-CB 3.34Å; Q14-N22 PolarHBondContact NE2-O 2.89Å; Q14-N22 VanDerWaalsContact NE2-O 3.13Å; W15-N22 PolarHBondContact N-OD1 2.73Å; W15-N22 PolarHBondContact O-ND2 3.11Å; W15-N22 PolarHBondContact O-OD1 3.15Å; D18-N22 WeakPolarHBondContact O-CB 3.16Å; D18-N22 PolarHBondContact O-N 3.14Å; D18-N22 PolarHBondContact O-ND2 3.44Å; D18-N22 VanDerWaalsContact O-ND2 3.17Å; D18-N22 PolarHBondContact O-OD1 2.99Å; E20-N22 VanDerWaalsContact C-N 3.33Å; E20-N22 PolarHBondContact O-N 2.81Å; N22-R25 PolarHBondContact O-N 2.87Å; N22-R25 PolarHBondContact OD1-NH1 2.81Å; N22-R25 VanDerWaalsContact OD1-NH1 3.08Å; N22-I26 WeakPolarHBondContact O-CB 3.32Å; N22-I26 WeakPolarHBondContact O-CD1 3.46Å; N22-I26 WeakPolarHBondContact O-CG1 3.26Å; N22-I26 PolarHBondContact O-N 2.71Å; N22-V48 WeakPolarHBondContact CB-O 3.44Å; N22-V48 PolarHBondContact ND2-O 3.34Å; N22-C49 PolarHBondContact ND2-O 2.81Å
23M98.8Very high98.5Very high28 Ų2824.3 Ų24.314%0.13812%0.121CC..Hα-helixtrans-60.2-46.6173.1-179.5179.667.500111.6F19 E20 R25 I26 L27 V69 E72 V73F19-M23 WeakPolarHBondContact O-CB 3.39Å; F19-M23 PolarHBondContact O-N 3.46Å; E20-M23 WeakPolarHBondContact O-CB 3.49Å; E20-M23 PolarHBondContact O-N 3.37Å; M23-R25 PolarHBondContact O-N 3.32Å; M23-I26 PolarHBondContact O-N 2.76Å; M23-L27 HydrophobicContact CG-CD1 3.97Å; M23-L27 HydrophobicContact CG-CG 4.41Å; M23-L27 WeakPolarHBondContact O-CB 3.47Å; M23-L27 WeakPolarHBondContact O-CG 3.26Å; M23-L27 PolarHBondContact O-N 3.04Å; M23-V69 HydrophobicContact CB-CG1 3.75Å; M23-V69 HydrophobicContact CB-CG2 4.28Å; M23-V69 HydrophobicContact CG-CG1 4.04Å; M23-E72 HydrophobicContact SD-CB 3.59Å; M23-E72 VanDerWaalsContact SD-CB 3.59Å; M23-E72 HydrophobicContact SD-CG 4.15Å; M23-V73 HydrophobicContact CG-CG2 4.02Å
24V98.1Very high98.4Very high19 Ų1927.5 Ų27.512%0.11514%0.135CC..Hα-helixtrans-60.5-45.9178.2172.30000111.1E20 G21 I26 L27 Q28 I779E20-V24 WeakPolarHBondContact O-CG2 3.43Å; E20-V24 PolarHBondContact O-N 2.89Å; G21-V24 PolarHBondContact O-N 3.43Å; V24-I26 PolarHBondContact O-N 3.31Å; V24-L27 PolarHBondContact O-N 3.05Å; V24-Q28 VanDerWaalsContact O-CB 3.28Å; V24-Q28 WeakPolarHBondContact O-CB 3.23Å; V24-Q28 PolarHBondContact O-N 2.77Å; V24-I779 HydrophobicContact CG2-CD1 3.97Å; V24-I779 HydrophobicContact CG2-CG2 4.18Å
25R98.7Very high98.2Very high28 Ų2833 Ų3311%0.10616%0.164CC..Hα-helixtrans-63.9-39.5177.4-67.6169.9-159.3113.57112.2L12 N13 Q14 D18 G21 N22 M23 S29 D265 V266L12-R25 HydrophobicContact CD2-CB 4.44Å; N13-R25 WeakPolarHBondContact O-CD 3.49Å; N13-R25 PolarHBondContact O-NE 2.92Å; Q14-R25 VanDerWaalsContact OE1-CB 3.25Å; D18-R25 IonicContact OD2-CZ 3.1Å; D18-R25 IonicContact OD2-NH1 2.81Å; D18-R25 PolarHBondContact OD2-NH1 2.64Å; D18-R25 IonicContact OD2-NH2 3.63Å; D18-R25 PolarHBondContact OD2-NH2 2.89Å; G21-R25 WeakPolarHBondContact O-CB 3.48Å; G21-R25 VanDerWaalsContact O-CG 3.24Å; G21-R25 WeakPolarHBondContact O-CG 3.33Å; G21-R25 PolarHBondContact O-N 3.29Å; G21-R25 PolarHBondContact O-NH1 2.92Å; N22-R25 PolarHBondContact O-N 2.87Å; N22-R25 PolarHBondContact OD1-NH1 2.81Å; N22-R25 VanDerWaalsContact OD1-NH1 3.08Å; M23-R25 PolarHBondContact O-N 3.32Å; R25-S29 PolarHBondContact O-N 2.94Å; R25-S29 PolarHBondContact O-OG 3.24Å; R25-D265 HydrophobicContact CG-CB 4.19Å; R25-D265 IonicContact CZ-OD2 3.03Å; R25-D265 IonicContact NE-OD2 2.73Å; R25-D265 PolarHBondContact NE-OD2 3.3Å; R25-D265 IonicContact NH2-OD2 3.67Å; R25-D265 PolarHBondContact NH2-OD2 2.81Å; R25-V266 HydrophobicContact CB-CG2 4.02Å; R25-V266 HydrophobicContact CG-CG2 4.22Å
26I98.8Very high98Very high0 Ų032.2 Ų32.20%017%0.166CC..Hα-helixtrans-62.3-53173.1-71163.3000110.5L12 N22 M23 V24 Q28 S29 I30 E47 V48 V73 V86L12-I26 HydrophobicContact CD1-CG1 3.84Å; N22-I26 WeakPolarHBondContact O-CB 3.32Å; N22-I26 WeakPolarHBondContact O-CD1 3.46Å; N22-I26 WeakPolarHBondContact O-CG1 3.26Å; N22-I26 PolarHBondContact O-N 2.71Å; M23-I26 PolarHBondContact O-N 2.76Å; V24-I26 PolarHBondContact O-N 3.31Å; I26-Q28 PolarHBondContact O-N 3.02Å; I26-S29 PolarHBondContact O-N 3.38Å; I26-S29 VanDerWaalsContact O-N 3.15Å; I26-S29 PolarHBondContact O-OG 3Å; I26-I30 HydrophobicContact CG2-CD1 3.7Å; I26-I30 WeakPolarHBondContact O-CG1 3.49Å; I26-I30 PolarHBondContact O-N 3.5Å; I26-E47 HydrophobicContact CD1-CG 4.02Å; I26-E47 HydrophobicContact CG1-CG 4.32Å; I26-V48 HydrophobicContact CD1-CG2 3.96Å; I26-V73 HydrophobicContact CG2-CG1 3.92Å; I26-V73 HydrophobicContact CG2-CG2 4Å; I26-V86 HydrophobicContact CG2-CG1 4.1Å
27L98.5Very high97.8Very high13 Ų1333 Ų337%0.06818%0.176CC..Hα-helixtrans-59.6-42.8180-75.1175000112.5M23 V24 S29 I30 L31 V73 M78 I779M23-L27 HydrophobicContact CG-CD1 3.97Å; M23-L27 HydrophobicContact CG-CG 4.41Å; M23-L27 WeakPolarHBondContact O-CB 3.47Å; M23-L27 WeakPolarHBondContact O-CG 3.26Å; M23-L27 PolarHBondContact O-N 3.04Å; V24-L27 PolarHBondContact O-N 3.05Å; L27-S29 PolarHBondContact O-N 3.33Å; L27-I30 PolarHBondContact O-N 2.94Å; L27-L31 PolarHBondContact O-N 3.42Å; L27-V73 HydrophobicContact CD2-CG2 4.31Å; L27-V73 HydrophobicContact CG-CG2 4.31Å; L27-M78 HydrophobicContact CB-SD 3.99Å; L27-M78 HydrophobicContact CD2-SD 4.1Å; L27-I779 HydrophobicContact CD1-CD1 4.21Å
28Q97.9Very high97.7Very high13 Ų1330.8 Ų30.86%0.06117%0.166CC..Hα-helixtrans-60-43.8174.917962.324.500111.4V24 I26 I30 L31 E32 V266V24-Q28 VanDerWaalsContact O-CB 3.28Å; V24-Q28 WeakPolarHBondContact O-CB 3.23Å; V24-Q28 PolarHBondContact O-N 2.77Å; I26-Q28 PolarHBondContact O-N 3.02Å; Q28-I30 VanDerWaalsContact C-N 3.32Å; Q28-I30 PolarHBondContact O-N 3.1Å; Q28-L31 PolarHBondContact O-N 3.36Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.28Å; Q28-E32 PolarHBondContact NE2-OE1 2.97Å; Q28-E32 WeakPolarHBondContact O-CB 3.38Å; Q28-E32 WeakPolarHBondContact O-CG 3.48Å; Q28-E32 PolarHBondContact O-N 2.93Å; Q28-V266 HydrophobicContact CB-CG2 4.2Å; Q28-V266 HydrophobicContact CG-CB 4.38Å; Q28-V266 HydrophobicContact CG-CG1 4.34Å; Q28-V266 HydrophobicContact CG-CG2 4.03Å
29S98.6Very high97.6Very high0 Ų029.8 Ų29.80%016%0.162CC..Hα-helixtrans-66.4-31.8176.7740000113.7R25 I26 L27 A33 R41R25-S29 PolarHBondContact O-N 2.94Å; R25-S29 PolarHBondContact O-OG 3.24Å; I26-S29 PolarHBondContact O-N 3.38Å; I26-S29 VanDerWaalsContact O-N 3.15Å; I26-S29 PolarHBondContact O-OG 3Å; L27-S29 PolarHBondContact O-N 3.33Å; S29-A33 VanDerWaalsContact O-CB 3.26Å; S29-A33 WeakPolarHBondContact O-CB 3.43Å; S29-A33 PolarHBondContact O-N 2.93Å; S29-R41 PolarHBondContact OG-NE 2.91Å; S29-R41 VanDerWaalsContact OG-NE 3.16Å; S29-R41 PolarHBondContact OG-NH2 2.83Å
30I98.6Very high97.6Very high0 Ų028.2 Ų28.20%016%0.155CC..Hα-helixtrans-70.2-42175-70.6167.6000110.2I26 L27 Q28 K34 R41 V73 M78 M82 V84I26-I30 HydrophobicContact CG2-CD1 3.7Å; I26-I30 WeakPolarHBondContact O-CG1 3.49Å; I26-I30 PolarHBondContact O-N 3.5Å; L27-I30 PolarHBondContact O-N 2.94Å; Q28-I30 VanDerWaalsContact C-N 3.32Å; Q28-I30 PolarHBondContact O-N 3.1Å; I30-K34 VanDerWaalsContact O-CB 3.29Å; I30-K34 WeakPolarHBondContact O-CB 3.41Å; I30-K34 PolarHBondContact O-N 3.43Å; I30-K34 VanDerWaalsContact O-N 3.11Å; I30-R41 HydrophobicContact CG1-CG 4.27Å; I30-V73 HydrophobicContact CD1-CG1 3.81Å; I30-M78 HydrophobicContact CG2-CB 3.89Å; I30-M82 HydrophobicContact CB-CE 4.28Å; I30-M82 HydrophobicContact CG2-CE 3.6Å; I30-M82 WeakPolarHBondContact O-CE 3.38Å; I30-V84 HydrophobicContact CD1-CG1 3.99Å; I30-V84 HydrophobicContact CG1-CG1 4.33Å
31L97.8Very high97.6Very high31 Ų3124.6 Ų24.616%0.16214%0.138CC..Hα-helixtrans-62.4-50.1174.1179.963.8000111.5L27 Q28 A33 K34 D35 M78 V775L27-L31 PolarHBondContact O-N 3.42Å; Q28-L31 PolarHBondContact O-N 3.36Å; L31-A33 PolarHBondContact O-N 3.18Å; L31-K34 PolarHBondContact O-N 3.29Å; L31-D35 WeakPolarHBondContact O-CB 3.48Å; L31-D35 PolarHBondContact O-N 3Å; L31-M78 HydrophobicContact CB-SD 4.19Å; L31-M78 HydrophobicContact CD2-CE 4.33Å; L31-V775 HydrophobicContact CD2-CG2 3.56Å
32E97.7Very high97.6Very high39 Ų3924 Ų2418%0.18213%0.132CC..Hα-helixtrans-59.4-44.8178.2-79.5175.9-152.400112.6Q28 K34 M36 V268Q28-E32 WeakPolarHBondContact CG-OE1 3.28Å; Q28-E32 PolarHBondContact NE2-OE1 2.97Å; Q28-E32 WeakPolarHBondContact O-CB 3.38Å; Q28-E32 WeakPolarHBondContact O-CG 3.48Å; Q28-E32 PolarHBondContact O-N 2.93Å; E32-K34 VanDerWaalsContact C-N 3.32Å; E32-K34 PolarHBondContact O-N 3.06Å; E32-M36 HydrophobicContact CB-CE 3.95Å; E32-M36 WeakPolarHBondContact O-CB 3.34Å; E32-M36 WeakPolarHBondContact O-CE 3.48Å; E32-M36 WeakPolarHBondContact O-CG 3.32Å; E32-M36 PolarHBondContact O-N 3.1Å; E32-V268 HydrophobicContact CB-CB 4.2Å; E32-V268 HydrophobicContact CB-CG2 3.8Å; E32-V268 WeakPolarHBondContact OE2-CG2 3.25Å
33A98.1Very high97.6Very high0 Ų024 Ų240%013%0.132CC..Hα-helixtrans-59.2-43.4175.900000111.9A8 S29 L31 M36 G37 A38 R41 M82 V268A8-A33 HydrophobicContact CB-CB 3.64Å; S29-A33 VanDerWaalsContact O-CB 3.26Å; S29-A33 WeakPolarHBondContact O-CB 3.43Å; S29-A33 PolarHBondContact O-N 2.93Å; L31-A33 PolarHBondContact O-N 3.18Å; A33-M36 CarbonylContact O-C 3.55Å; A33-M36 PolarHBondContact O-N 2.72Å; A33-G37 PolarHBondContact O-N 3.37Å; A33-A38 HydrophobicContact CB-CB 4.06Å; A33-A38 WeakPolarHBondContact O-CB 3.35Å; A33-A38 PolarHBondContact O-N 2.92Å; A33-R41 HydrophobicContact CB-CB 4.07Å; A33-R41 HydrophobicContact CB-CG 4.18Å; A33-M82 HydrophobicContact CB-CE 4.29Å; A33-M82 HydrophobicContact CB-SD 4.22Å; A33-V268 HydrophobicContact CB-CG1 4.03Å
34K96Very high97.6Very high70 Ų7022.7 Ų22.730%0.30413%0.125SC..Hα-helixtrans-71-42.7-178.8-176.1166.1175.7169.60112.8I30 L31 E32 M36 G37 P77 M78 E80 M82I30-K34 VanDerWaalsContact O-CB 3.29Å; I30-K34 WeakPolarHBondContact O-CB 3.41Å; I30-K34 PolarHBondContact O-N 3.43Å; I30-K34 VanDerWaalsContact O-N 3.11Å; L31-K34 PolarHBondContact O-N 3.29Å; E32-K34 VanDerWaalsContact C-N 3.32Å; E32-K34 PolarHBondContact O-N 3.06Å; K34-M36 VanDerWaalsContact C-N 3.25Å; K34-M36 PolarHBondContact O-N 3.4Å; K34-G37 WeakPolarHBondContact O-CA 3.45Å; K34-G37 PolarHBondContact O-N 3.42Å; K34-P77 PolarHBondContact NZ-O 2.67Å; K34-M78 WeakPolarHBondContact CD-O 3.44Å; K34-M78 PolarHBondContact NZ-O 3.43Å; K34-E80 WeakPolarHBondContact CE-O 3.41Å; K34-E80 PolarHBondContact NZ-O 2.77Å; K34-M82 HydrophobicContact CB-CE 4.21Å
35D96.1Very high97.7Very high117 Ų11721.8 Ų21.863%0.62612%0.12SC*.Hα-helixtrans-64.8-30.5174.6-79.9-3.7000111.8L31 G37L31-D35 WeakPolarHBondContact O-CB 3.48Å; L31-D35 PolarHBondContact O-N 3Å; D35-G37 VanDerWaalsContact C-N 3.29Å
36M94.6Very high97.7Very high81 Ų8120.5 Ų20.540%0.39912%0.115SC..THydrogen-bonded Turntrans-84.45.2171-67.2-171.3-87.300114.1E32 A33 K34 V268 L270E32-M36 HydrophobicContact CB-CE 3.95Å; E32-M36 WeakPolarHBondContact O-CB 3.34Å; E32-M36 WeakPolarHBondContact O-CE 3.48Å; E32-M36 WeakPolarHBondContact O-CG 3.32Å; E32-M36 PolarHBondContact O-N 3.1Å; A33-M36 CarbonylContact O-C 3.55Å; A33-M36 PolarHBondContact O-N 2.72Å; K34-M36 VanDerWaalsContact C-N 3.25Å; K34-M36 PolarHBondContact O-N 3.4Å; M36-V268 HydrophobicContact CE-CB 4.01Å; M36-V268 HydrophobicContact CE-CG1 4.22Å; M36-L270 HydrophobicContact CB-CD1 3.78Å; M36-L270 HydrophobicContact CB-CD2 3.66Å; M36-L270 HydrophobicContact CB-CG 4.41Å; M36-L270 HydrophobicContact CE-CD1 3.54Å; M36-L270 HydrophobicContact CG-CD1 4.29Å; M36-L270 HydrophobicContact SD-CD1 3.59Å; M36-L270 VanDerWaalsContact SD-CD1 3.59Å
37G94.1Very high97.7Very high40 Ų4020.5 Ų20.541%0.41212%0.115SC..THydrogen-bonded Turntrans81.52317000000115.9T6 A33 K34 D35T6-G37 WeakPolarHBondContact CB-O 3.41Å; A33-G37 PolarHBondContact O-N 3.37Å; K34-G37 WeakPolarHBondContact O-CA 3.45Å; K34-G37 PolarHBondContact O-N 3.42Å; D35-G37 VanDerWaalsContact C-N 3.29Å
38A97Very high97.7Very high12 Ų1219.9 Ų19.910%0.09911%0.112CC..  trans-67.9144.9170.900000112.3T6 A8 A33 M82 L270T6-A38 CarbonylContact O-C 3.49Å; T6-A38 WeakPolarHBondContact O-CA 3.37Å; A8-A38 HydrophobicContact CB-CB 3.93Å; A33-A38 HydrophobicContact CB-CB 4.06Å; A33-A38 WeakPolarHBondContact O-CB 3.35Å; A33-A38 PolarHBondContact O-N 2.92Å; A38-M82 HydrophobicContact CB-SD 4.18Å; A38-L270 HydrophobicContact CB-CD2 3.85Å
39S96.8Very high97.7Very high13 Ų1319.3 Ų19.39%0.09111%0.109CC..SBendtrans-99.8-9.9166.858.60000112.7T6 L83 F305 M307T6-S39 PolarHBondContact O-N 3.16Å; T6-S39 PolarHBondContact O-OG 2.78Å; S39-L83 PolarHBondContact O-N 3.11Å; S39-F305 WeakPolarHBondContact O-CE1 3.44Å; S39-M307 WeakPolarHBondContact CB-O 3.26Å; S39-M307 WeakPolarHBondContact OG-CB 3.43Å; S39-M307 PolarHBondContact OG-O 2.96Å
40Y98.4Very high97.7Very high0 Ų019.3 Ų19.30%011%0.109CC..EExtended strand (participates in β ladder)trans-144.4131.7178.5173.8-120.6000111.5V7 A8 T42 L83 D85 L170 V197 L228 M307V7-Y40 HydrophobicContact CB-CD1 4.4Å; V7-Y40 HydrophobicContact CG1-CD1 4.29Å; A8-Y40 PolarHBondContact N-O 3.46Å; Y40-T42 HydrophobicContact CE1-CG2 4.19Å; Y40-T42 WeakPolarHBondContact OH-CB 3.43Å; Y40-L83 VanDerWaalsContact CA-O 3.29Å; Y40-L83 WeakPolarHBondContact CA-O 3.49Å; Y40-L83 HydrophobicContact CD2-CB 3.87Å; Y40-L83 HydrophobicContact CD2-CD2 3.78Å; Y40-L83 HydrophobicContact CD2-CG 3.65Å; Y40-L83 VanDerWaalsContact CD2-O 3.29Å; Y40-L83 WeakPolarHBondContact CD2-O 3.37Å; Y40-L83 HydrophobicContact CE2-CD2 4.17Å; Y40-L83 HydrophobicContact CE2-CG 4.06Å; Y40-D85 WeakPolarHBondContact CE2-OD1 3.31Å; Y40-D85 VanDerWaalsContact CZ-OD1 3.3Å; Y40-D85 PolarHBondContact OH-OD1 3.09Å; Y40-L170 HydrophobicContact CD1-CD2 3.91Å; Y40-L170 HydrophobicContact CD2-CD2 4.17Å; Y40-L170 HydrophobicContact CE1-CD2 3.82Å; Y40-L170 HydrophobicContact CE2-CD2 4.13Å; Y40-L170 HydrophobicContact CG-CD2 4.08Å; Y40-V197 HydrophobicContact CE1-CG2 3.89Å; Y40-V197 WeakPolarHBondContact OH-CG1 3.49Å; Y40-V197 WeakPolarHBondContact OH-CG2 3.33Å; Y40-L228 HydrophobicContact CD1-CD1 4.08Å; Y40-L228 HydrophobicContact CE1-CD1 3.79Å; Y40-M307 HydrophobicContact CD1-CE 4.49Å; Y40-M307 HydrophobicContact CG-CE 4.22Å
41R98.4Very high97.7Very high0 Ų020.1 Ų20.10%011%0.112CC..EExtended strand (participates in β ladder)trans-121.6128.6172.1175.1-85.5-175.2-153-2.3110.1S10 S29 I30 A33 E47 M82 L83 V84 D85S10-R41 PolarHBondContact OG-NE 3.31Å; S10-R41 VanDerWaalsContact OG-NE 3.11Å; S29-R41 PolarHBondContact OG-NE 2.91Å; S29-R41 VanDerWaalsContact OG-NE 3.16Å; S29-R41 PolarHBondContact OG-NH2 2.83Å; I30-R41 HydrophobicContact CG1-CG 4.27Å; A33-R41 HydrophobicContact CB-CB 4.07Å; A33-R41 HydrophobicContact CB-CG 4.18Å; R41-E47 IonicContact CZ-OE2 2.74Å; R41-E47 VanDerWaalsContact CZ-OE2 3.31Å; R41-E47 IonicContact NH1-OE1 3.59Å; R41-E47 PolarHBondContact NH1-OE1 3.11Å; R41-E47 IonicContact NH1-OE2 2.78Å; R41-E47 PolarHBondContact NH1-OE2 3.32Å; R41-E47 IonicContact NH2-OE2 3.69Å; R41-E47 PolarHBondContact NH2-OE2 3.01Å; R41-M82 HydrophobicContact CB-CE 3.91Å; R41-M82 HydrophobicContact CB-SD 3.97Å; R41-L83 PolarHBondContact N-O 2.93Å; R41-V84 WeakPolarHBondContact O-CA 3.42Å; R41-D85 PolarHBondContact NH1-O 3.35Å; R41-D85 PolarHBondContact O-N 3.03Å
42T98.7Very high97.7Very high0 Ų019.3 Ų19.30%011%0.109CC..EExtended strand (participates in β ladder)trans-116.3167.6164.9-173.20000111.2A8 V9 S10 Y40 D85 V197 S230A8-T42 PolarHBondContact O-N 3.14Å; V9-T42 HydrophobicContact CB-CG2 4.48Å; V9-T42 HydrophobicContact CG1-CG2 3.91Å; S10-T42 VanDerWaalsContact CB-O 3.27Å; S10-T42 WeakPolarHBondContact CB-O 3.26Å; S10-T42 PolarHBondContact N-O 2.98Å; S10-T42 VanDerWaalsContact N-O 3.1Å; S10-T42 PolarHBondContact OG-O 2.93Å; Y40-T42 HydrophobicContact CE1-CG2 4.19Å; Y40-T42 WeakPolarHBondContact OH-CB 3.43Å; T42-D85 WeakPolarHBondContact CA-OD1 3.44Å; T42-D85 WeakPolarHBondContact CB-OD1 3.4Å; T42-D85 PolarHBondContact OG1-OD1 2.74Å; T42-D85 PolarHBondContact OG1-OD2 2.9Å; T42-V197 HydrophobicContact CG2-CG1 4.05Å; T42-V197 VanDerWaalsContact OG1-CG1 3.3Å; T42-V197 WeakPolarHBondContact OG1-CG1 3.17Å; T42-S230 VanDerWaalsContact CG2-OG 3.28Å; T42-S230 WeakPolarHBondContact CG2-OG 3.47Å
43G98.7Very high97.7Very high0 Ų017.7 Ų17.70%010%0.102CC..  trans-153.3-178-178.200000113.6E47 R100 S199 S230G43-E47 VanDerWaalsContact CA-OE1 3.29Å; G43-E47 WeakPolarHBondContact CA-OE1 3.4Å; G43-R100 PolarHBondContact O-NH1 3.21Å; G43-R100 PolarHBondContact O-NH2 3.33Å; G43-R100 VanDerWaalsContact O-NH2 3.11Å; G43-S199 WeakPolarHBondContact O-CB 3.26Å; G43-S199 PolarHBondContact O-OG 3.35Å; G43-S230 VanDerWaalsContact C-CB 3.45Å; G43-S230 WeakPolarHBondContact O-CB 3.35Å
44P98.7Very high97.7Very high0 Ų018.9 Ų18.90%011%0.108CC..  trans-69.6166.6-166.6-24.537.8000115.2S10 L12 E47 R100 N231 L232S10-P44 WeakPolarHBondContact O-CD 3.42Å; S10-P44 WeakPolarHBondContact O-CG 3.41Å; L12-P44 HydrophobicContact CB-CG 4.13Å; L12-P44 HydrophobicContact CG-CG 4.2Å; P44-E47 HydrophobicContact CB-CB 4.32Å; P44-E47 WeakPolarHBondContact CD-OE2 3.42Å; P44-E47 WeakPolarHBondContact O-CB 3.34Å; P44-E47 WeakPolarHBondContact O-CG 3.45Å; P44-E47 PolarHBondContact O-N 3.02Å; P44-R100 PolarHBondContact O-NH1 3.18Å; P44-N231 VanDerWaalsContact CG-C 3.49Å; P44-N231 WeakPolarHBondContact CG-O 3.49Å; P44-L232 HydrophobicContact CB-CB 4.45Å; P44-L232 HydrophobicContact CB-CD2 3.6Å; P44-L232 HydrophobicContact CB-CG 3.69Å; P44-L232 HydrophobicContact CG-CD2 4.01Å; P44-L232 HydrophobicContact CG-CG 4.42Å
45E98.7Very high97.8Very high0 Ų018.5 Ų18.50%011%0.109CC..THydrogen-bonded Turntrans-63.3135.8177-172.5166.9-154.800111.9E47 Y51 N98 K114 I174 C175 S200 G201E45-E47 PolarHBondContact O-N 3.36Å; E45-Y51 HydrophobicContact CB-CD2 4.32Å; E45-Y51 HydrophobicContact CG-CD2 3.98Å; E45-Y51 HydrophobicContact CG-CE2 4.13Å; E45-N98 PolarHBondContact OE1-ND2 2.79Å; E45-K114 WeakPolarHBondContact OE1-CD 3.35Å; E45-K114 WeakPolarHBondContact OE1-CE 3.39Å; E45-K114 IonicContact OE1-NZ 2.66Å; E45-K114 PolarHBondContact OE1-NZ 2.85Å; E45-K114 IonicContact OE2-NZ 3.33Å; E45-I174 HydrophobicContact CG-CG2 4.16Å; E45-I174 WeakPolarHBondContact OE1-CG2 3.45Å; E45-C175 WeakPolarHBondContact OE2-CB 3.41Å; E45-S200 PolarHBondContact N-O 3.41Å; E45-S200 VanDerWaalsContact N-O 3.15Å; E45-G201 PolarHBondContact OE2-N 3.09Å; E45-G201 VanDerWaalsContact OE2-N 3.08Å
46L98.8Very high98Very high1 Ų116.8 Ų16.81%0.00510%0.097CC..THydrogen-bonded Turntrans50.427-179.2-63.5171.3000114.3V48 C49 G50 Y51 F57 G87 N98 F129L46-V48 PolarHBondContact O-N 2.67Å; L46-C49 PolarHBondContact O-N 3.04Å; L46-C49 PolarHBondContact O-SG 2.92Å; L46-G50 CarbonylContact O-C 3.57Å; L46-G50 WeakPolarHBondContact O-CA 3.33Å; L46-G50 PolarHBondContact O-N 2.81Å; L46-Y51 HydrophobicContact CD1-CD2 4Å; L46-Y51 HydrophobicContact CD1-CE2 4.36Å; L46-F57 HydrophobicContact CD1-CE1 4.38Å; L46-F57 HydrophobicContact CD1-CE2 4.28Å; L46-F57 HydrophobicContact CD1-CZ 3.74Å; L46-G87 CarbonylContact C-O 3.55Å; L46-G87 WeakPolarHBondContact CA-O 3.16Å; L46-N98 HydrophobicContact CD2-CB 4.21Å; L46-N98 WeakPolarHBondContact CD2-OD1 3.4Å; L46-F129 HydrophobicContact CD1-CE2 3.86Å; L46-F129 HydrophobicContact CD1-CZ 4.03Å; L46-F129 HydrophobicContact CD2-CZ 4.33Å
47E98.8Very high98.1Very high0 Ų013.1 Ų13.10%08%0.079CC..THydrogen-bonded Turntrans-57-25.8-172.162.8-172.7128.200115.1L12 Q14 I26 R41 G43 P44 E45 V86 G87 R100L12-E47 HydrophobicContact CD1-CB 4.4Å; L12-E47 WeakPolarHBondContact CD1-OE2 3.27Å; Q14-E47 HydrophobicContact CG-CB 4.17Å; Q14-E47 WeakPolarHBondContact CG-O 3.03Å; Q14-E47 PolarHBondContact NE2-O 3.15Å; I26-E47 HydrophobicContact CD1-CG 4.02Å; I26-E47 HydrophobicContact CG1-CG 4.32Å; R41-E47 IonicContact CZ-OE2 2.74Å; R41-E47 VanDerWaalsContact CZ-OE2 3.31Å; R41-E47 IonicContact NH1-OE1 3.59Å; R41-E47 PolarHBondContact NH1-OE1 3.11Å; R41-E47 IonicContact NH1-OE2 2.78Å; R41-E47 PolarHBondContact NH1-OE2 3.32Å; R41-E47 IonicContact NH2-OE2 3.69Å; R41-E47 PolarHBondContact NH2-OE2 3.01Å; G43-E47 VanDerWaalsContact CA-OE1 3.29Å; G43-E47 WeakPolarHBondContact CA-OE1 3.4Å; P44-E47 HydrophobicContact CB-CB 4.32Å; P44-E47 WeakPolarHBondContact CD-OE2 3.42Å; P44-E47 WeakPolarHBondContact O-CB 3.34Å; P44-E47 WeakPolarHBondContact O-CG 3.45Å; P44-E47 PolarHBondContact O-N 3.02Å; E45-E47 PolarHBondContact O-N 3.36Å; E47-V86 HydrophobicContact CG-CB 4.41Å; E47-V86 WeakPolarHBondContact OE1-CA 3.43Å; E47-G87 PolarHBondContact N-O 2.81Å; E47-G87 VanDerWaalsContact N-O 3.15Å; E47-G87 PolarHBondContact OE1-N 3.49Å; E47-R100 IonicContact OE1-CZ 2.91Å; E47-R100 IonicContact OE1-NH1 3.99Å; E47-R100 IonicContact OE1-NH2 3.7Å; E47-R100 PolarHBondContact OE1-NH2 2.97Å
48V98.9Very high98.3Very high1 Ų118.2 Ų18.21%0.0069%0.085CC..THydrogen-bonded Turntrans-65.9-42.6179.3169.90000112.3N22 I26 L46 V69 V86 G87 M88N22-V48 WeakPolarHBondContact CB-O 3.44Å; N22-V48 PolarHBondContact ND2-O 3.34Å; I26-V48 HydrophobicContact CD1-CG2 3.96Å; L46-V48 PolarHBondContact O-N 2.67Å; V48-V69 HydrophobicContact CG1-CB 3.78Å; V48-V69 HydrophobicContact CG1-CG1 3.75Å; V48-V69 HydrophobicContact CG2-CG1 4.49Å; V48-V86 HydrophobicContact CG2-CB 4.13Å; V48-V86 HydrophobicContact CG2-CG2 4.11Å; V48-G87 WeakPolarHBondContact CB-O 3.43Å; V48-G87 WeakPolarHBondContact CG2-O 3.38Å; V48-G87 PolarHBondContact N-O 2.87Å; V48-M88 HydrophobicContact CB-CB 4Å; V48-M88 HydrophobicContact CG1-CB 4.46Å; V48-M88 HydrophobicContact CG2-CB 4.15Å
49C98.8Very high98.4Very high0 Ų021.8 Ų21.80%010%0.1CC..THydrogen-bonded Turntrans-101.4-17.4-17956.30000113.4A16 L17 F19 N22 L46 C53 T62 P89A16-C49 CarbonylContact C-O 3.56Å; A16-C49 WeakPolarHBondContact CA-O 3.26Å; L17-C49 PolarHBondContact N-O 3.34Å; F19-C49 HydrophobicContact CE1-CB 3.75Å; F19-C49 HydrophobicContact CZ-CB 4.12Å; N22-C49 PolarHBondContact ND2-O 2.81Å; L46-C49 PolarHBondContact O-N 3.04Å; L46-C49 PolarHBondContact O-SG 2.92Å; C49-C53 PolarHBondContact O-SG 2.9Å; C49-T62 HydrophobicContact CB-CG2 4.47Å; C49-P89 VanDerWaalsContact SG-CD 3.59Å
50G98.4Very high98.4Very high0 Ų025.5 Ų25.50%012%0.124CC..  trans87147.3-163.100000111.3L46 C53L46-G50 CarbonylContact O-C 3.57Å; L46-G50 WeakPolarHBondContact O-CA 3.33Å; L46-G50 PolarHBondContact O-N 2.81Å; G50-C53 PolarHBondContact O-SG 2.88Å
51Y98.6Very high98.5Very high17 Ų1729.9 Ų29.97%0.06715%0.148CC..THydrogen-bonded Turntrans-71.4-45-172.9-179.3-91.7000112.4E45 L46 C53 F57 Y123 E125 F242E45-Y51 HydrophobicContact CB-CD2 4.32Å; E45-Y51 HydrophobicContact CG-CD2 3.98Å; E45-Y51 HydrophobicContact CG-CE2 4.13Å; L46-Y51 HydrophobicContact CD1-CD2 4Å; L46-Y51 HydrophobicContact CD1-CE2 4.36Å; Y51-C53 VanDerWaalsContact C-N 3.29Å; Y51-C53 PolarHBondContact O-N 2.81Å; Y51-C53 VanDerWaalsContact O-N 3.12Å; Y51-F57 VanDerWaalsContact O-CE2 3.27Å; Y51-F57 WeakPolarHBondContact O-CE2 3.18Å; Y51-F57 WeakPolarHBondContact O-CZ 3.36Å; Y51-Y123 HydrophobicContact CE1-CD1 4.04Å; Y51-Y123 HydrophobicContact CE1-CE1 4.18Å; Y51-Y123 WeakPolarHBondContact OH-CD1 3.44Å; Y51-E125 WeakPolarHBondContact CE2-OE1 3.42Å; Y51-E125 WeakPolarHBondContact OH-CG 3.21Å; Y51-E125 PolarHBondContact OH-OE1 3.01Å; Y51-F242 HydrophobicContact CD1-CE1 4.18Å; Y51-F242 HydrophobicContact CD1-CZ 4.07Å
52S97.8Very high98.5Very high14 Ų1430 Ų3010%0.09815%0.148CC..THydrogen-bonded Turntrans-8829-166.8-48.20000115.5E54 D236S52-E54 WeakPolarHBondContact O-CG 3.04Å; S52-E54 PolarHBondContact O-N 3.01Å; S52-E54 VanDerWaalsContact O-N 3.15Å; S52-D236 VanDerWaalsContact CB-OD1 3.26Å; S52-D236 WeakPolarHBondContact CB-OD1 3.44Å; S52-D236 WeakPolarHBondContact CB-OD2 3.24Å; S52-D236 PolarHBondContact N-OD2 2.9Å; S52-D236 PolarHBondContact OG-OD1 2.95Å; S52-D236 PolarHBondContact OG-OD2 2.92Å
53C98.4Very high98.5Very high5 Ų530.7 Ų30.73%0.03415%0.151CC..  trans-63.1-17.6178.7-60.10000113.9L17 C49 G50 Y51 D55 H56 F57L17-C53 HydrophobicContact CD2-CB 4.28Å; C49-C53 PolarHBondContact O-SG 2.9Å; G50-C53 PolarHBondContact O-SG 2.88Å; Y51-C53 VanDerWaalsContact C-N 3.29Å; Y51-C53 PolarHBondContact O-N 2.81Å; Y51-C53 VanDerWaalsContact O-N 3.12Å; C53-D55 PolarHBondContact O-N 3.37Å; C53-H56 HydrophobicContact CB-CB 4.26Å; C53-H56 WeakPolarHBondContact O-CB 3.43Å; C53-H56 PolarHBondContact O-CD2 3.47Å; C53-H56 VanDerWaalsContact O-CD2 3.28Å; C53-H56 PolarHBondContact O-N 2.86Å; C53-H56 VanDerWaalsContact O-N 3.16Å; C53-F57 HydrophobicContact CB-CD1 4.23Å; C53-F57 HydrophobicContact CB-CD2 4.23Å; C53-F57 HydrophobicContact CB-CE1 3.8Å; C53-F57 HydrophobicContact CB-CE2 3.82Å; C53-F57 HydrophobicContact CB-CG 4.42Å; C53-F57 HydrophobicContact CB-CZ 3.57Å
54E97.6Very high98.5Very high26 Ų2634.8 Ų34.812%0.12117%0.173CC..G310 helixtrans50-124.7177.3-61.7-123.916800114.3S52 H56 F57 W128 Q238 R669S52-E54 WeakPolarHBondContact O-CG 3.04Å; S52-E54 PolarHBondContact O-N 3.01Å; S52-E54 VanDerWaalsContact O-N 3.15Å; E54-H56 PolarHBondContact O-N 2.98Å; E54-H56 VanDerWaalsContact O-N 3.11Å; E54-F57 WeakPolarHBondContact O-CB 3.36Å; E54-F57 WeakPolarHBondContact O-CD2 3.42Å; E54-F57 PolarHBondContact O-N 3.25Å; E54-W128 VanDerWaalsContact C-CE2 3.41Å; E54-W128 VanDerWaalsContact C-NE1 3.26Å; E54-W128 HydrophobicContact CB-CH2 3.97Å; E54-W128 HydrophobicContact CB-CZ2 3.5Å; E54-W128 HydrophobicContact CG-CH2 3.72Å; E54-W128 HydrophobicContact CG-CZ2 3.74Å; E54-W128 PolarHBondContact O-NE1 2.81Å; E54-Q238 VanDerWaalsContact CD-NE2 3.29Å; E54-Q238 PolarHBondContact OE1-NE2 3.1Å; E54-R669 VanDerWaalsContact CD-NE 3.32Å; E54-R669 VanDerWaalsContact CD-NH2 3.3Å; E54-R669 IonicContact OE1-CZ 2.95Å; E54-R669 IonicContact OE1-NE 2.99Å; E54-R669 PolarHBondContact OE1-NE 2.97Å; E54-R669 IonicContact OE1-NH2 3.21Å; E54-R669 IonicContact OE2-CZ 2.8Å; E54-R669 VanDerWaalsContact OE2-CZ 3.23Å; E54-R669 IonicContact OE2-NE 3.48Å; E54-R669 PolarHBondContact OE2-NE 2.89Å; E54-R669 VanDerWaalsContact OE2-NE 3.1Å; E54-R669 IonicContact OE2-NH2 3.61Å; E54-R669 PolarHBondContact OE2-NH2 3.42Å
55D98.2Very high98.5Very high62 Ų6237.7 Ų37.733%0.33219%0.186SC..G310 helixtrans-66.2-12.6-175.2-81.4-5.3000113.4C53 F57 R58 R127 W128C53-D55 PolarHBondContact O-N 3.37Å; D55-F57 PolarHBondContact O-N 2.98Å; D55-R58 WeakPolarHBondContact O-CB 3.46Å; D55-R58 WeakPolarHBondContact O-CG 3.2Å; D55-R58 PolarHBondContact O-N 2.87Å; D55-R58 IonicContact OD1-NE 2.92Å; D55-R127 IonicContact OD1-CZ 3.4Å; D55-R127 IonicContact OD1-NE 3.23Å; D55-R127 PolarHBondContact OD1-NE 2.96Å; D55-R127 IonicContact OD1-NH2 2.75Å; D55-R127 PolarHBondContact OD1-NH2 2.88Å; D55-R127 IonicContact OD2-CZ 3.76Å; D55-R127 IonicContact OD2-NE 3.93Å; D55-R127 IonicContact OD2-NH2 2.85Å; D55-R127 PolarHBondContact OD2-NH2 3.5Å; D55-W128 PolarHBondContact OD1-NE1 3.09Å
56H98.7Very high98.5Very high80 Ų8037.7 Ų37.737%0.3719%0.186SC..G310 helixtrans-63.8-18.4167.7-64.7-76.9000112.5L17 C53 E54 R58 E59 T62L17-H56 HydrophobicContact CD1-CB 4.13Å; L17-H56 HydrophobicContact CD2-CB 4.18Å; C53-H56 HydrophobicContact CB-CB 4.26Å; C53-H56 WeakPolarHBondContact O-CB 3.43Å; C53-H56 PolarHBondContact O-CD2 3.47Å; C53-H56 VanDerWaalsContact O-CD2 3.28Å; C53-H56 PolarHBondContact O-N 2.86Å; C53-H56 VanDerWaalsContact O-N 3.16Å; E54-H56 PolarHBondContact O-N 2.98Å; E54-H56 VanDerWaalsContact O-N 3.11Å; H56-R58 PolarHBondContact O-N 2.87Å; H56-R58 VanDerWaalsContact O-N 3.1Å; H56-E59 IonicContact CE1-OE1 2.72Å; H56-E59 IonicContact CE1-OE2 3.58Å; H56-E59 IonicContact CG-OE2 2.69Å; H56-E59 VanDerWaalsContact ND1-CD 3.27Å; H56-E59 IonicContact ND1-OE1 2.89Å; H56-E59 PolarHBondContact ND1-OE1 3Å; H56-E59 IonicContact ND1-OE2 2.73Å; H56-E59 PolarHBondContact ND1-OE2 2.83Å; H56-E59 WeakPolarHBondContact O-CB 3.41Å; H56-E59 PolarHBondContact O-N 2.85Å; H56-T62 WeakPolarHBondContact O-CB 3.42Å; H56-T62 PolarHBondContact O-OG1 2.95Å
57F98.6Very high98.5Very high4 Ų438.2 Ų38.22%0.01819%0.188CC..G310 helixtrans-67.1-2.5167.3-66.1-51.9000114L46 Y51 C53 E54 D55 T62 F63 P89 W128 F129L46-F57 HydrophobicContact CD1-CE1 4.38Å; L46-F57 HydrophobicContact CD1-CE2 4.28Å; L46-F57 HydrophobicContact CD1-CZ 3.74Å; Y51-F57 VanDerWaalsContact O-CE2 3.27Å; Y51-F57 WeakPolarHBondContact O-CE2 3.18Å; Y51-F57 WeakPolarHBondContact O-CZ 3.36Å; C53-F57 HydrophobicContact CB-CD1 4.23Å; C53-F57 HydrophobicContact CB-CD2 4.23Å; C53-F57 HydrophobicContact CB-CE1 3.8Å; C53-F57 HydrophobicContact CB-CE2 3.82Å; C53-F57 HydrophobicContact CB-CG 4.42Å; C53-F57 HydrophobicContact CB-CZ 3.57Å; E54-F57 WeakPolarHBondContact O-CB 3.36Å; E54-F57 WeakPolarHBondContact O-CD2 3.42Å; E54-F57 PolarHBondContact O-N 3.25Å; D55-F57 PolarHBondContact O-N 2.98Å; F57-T62 HydrophobicContact CD1-CG2 3.95Å; F57-T62 HydrophobicContact CE1-CG2 4.3Å; F57-F63 WeakPolarHBondContact O-CE2 3.38Å; F57-P89 HydrophobicContact CD1-CB 4.2Å; F57-P89 HydrophobicContact CD1-CG 4.24Å; F57-P89 HydrophobicContact CE1-CB 4.4Å; F57-P89 HydrophobicContact CE1-CG 4.22Å; F57-W128 HydrophobicContact CB-CB 3.77Å; F57-W128 HydrophobicContact CB-CG 4.08Å; F57-W128 HydrophobicContact CD2-CB 4.27Å; F57-W128 HydrophobicContact CD2-CD2 4.09Å; F57-W128 HydrophobicContact CD2-CE3 4.05Å; F57-W128 HydrophobicContact CD2-CG 4.17Å; F57-W128 HydrophobicContact CE2-CE3 4.5Å; F57-W128 HydrophobicContact CG-CB 4.45Å; F57-F129 HydrophobicContact CB-CE1 4.47Å; F57-F129 HydrophobicContact CB-CZ 4.16Å; F57-F129 HydrophobicContact CD1-CE1 4.31Å; F57-F129 HydrophobicContact CD1-CE2 4.48Å; F57-F129 AromaticContact CD1-CZ 3.62Å; F57-F129 HydrophobicContact CD1-CZ 3.62Å; F57-F129 AromaticContact CD2-CE2 3.82Å; F57-F129 HydrophobicContact CD2-CE2 3.82Å; F57-F129 AromaticContact CD2-CZ 3.75Å; F57-F129 HydrophobicContact CD2-CZ 3.75Å; F57-F129 AromaticContact CE1-CZ 3.85Å; F57-F129 HydrophobicContact CE1-CZ 3.85Å; F57-F129 AromaticContact CE2-CE2 3.91Å; F57-F129 HydrophobicContact CE2-CE2 3.91Å; F57-F129 AromaticContact CE2-CZ 3.96Å; F57-F129 HydrophobicContact CE2-CZ 3.96Å; F57-F129 HydrophobicContact CG-CE1 4.31Å; F57-F129 HydrophobicContact CG-CE2 4.13Å; F57-F129 AromaticContact CG-CZ 3.59Å; F57-F129 HydrophobicContact CG-CZ 3.59Å; F57-F129 HydrophobicContact CZ-CE2 4.3Å; F57-F129 HydrophobicContact CZ-CZ 4.02Å
58R97.7Very high98.5Very high147 Ų14740.9 Ų40.956%0.55520%0.201SC*.G310 helixtrans-96-10170.5-56.6175.3166.6-156.1-9.4112.7D55 H56 R127D55-R58 WeakPolarHBondContact O-CB 3.46Å; D55-R58 WeakPolarHBondContact O-CG 3.2Å; D55-R58 PolarHBondContact O-N 2.87Å; D55-R58 IonicContact OD1-NE 2.92Å; H56-R58 PolarHBondContact O-N 2.87Å; H56-R58 VanDerWaalsContact O-N 3.1Å; R58-R127 PolarHBondContact NE-O 2.91Å; R58-R127 PolarHBondContact NH2-O 3.19Å
59E98.5Very high98.5Very high88 Ų8841.2 Ų41.241%0.41120%0.203SC..SBendtrans-89.2126.4-179.6-62.3173.2172.600109.2H56 D61 T62 F63H56-E59 IonicContact CE1-OE1 2.72Å; H56-E59 IonicContact CE1-OE2 3.58Å; H56-E59 IonicContact CG-OE2 2.69Å; H56-E59 VanDerWaalsContact ND1-CD 3.27Å; H56-E59 IonicContact ND1-OE1 2.89Å; H56-E59 PolarHBondContact ND1-OE1 3Å; H56-E59 IonicContact ND1-OE2 2.73Å; H56-E59 PolarHBondContact ND1-OE2 2.83Å; H56-E59 WeakPolarHBondContact O-CB 3.41Å; H56-E59 PolarHBondContact O-N 2.85Å; E59-D61 PolarHBondContact O-N 3.15Å; E59-T62 PolarHBondContact O-N 3.36Å; E59-F63 WeakPolarHBondContact O-CD2 3.29Å
60P98Very high98.5Very high90 Ų9041.2 Ų41.258%0.58420%0.203SC*.Hα-helixtrans-56.1-32.1178.3-27.236.1000113.3T62 F63 L64P60-T62 VanDerWaalsContact C-N 3.28Å; P60-T62 PolarHBondContact O-N 3.2Å; P60-F63 WeakPolarHBondContact O-CB 3.42Å; P60-F63 PolarHBondContact O-N 3Å; P60-L64 PolarHBondContact O-N 2.78Å
61D98.7Very high98.5Very high93 Ų9342 Ų4250%0.49721%0.206SC..Hα-helixtrans-60.8-36.3-178-61.615000111.5E59 F63 L64 H65E59-D61 PolarHBondContact O-N 3.15Å; D61-F63 VanDerWaalsContact C-N 3.28Å; D61-F63 PolarHBondContact O-N 3.42Å; D61-L64 PolarHBondContact O-N 3.07Å; D61-L64 VanDerWaalsContact O-N 3.15Å; D61-H65 WeakPolarHBondContact O-CB 3.46Å; D61-H65 PolarHBondContact O-CD2 2.81Å; D61-H65 PolarHBondContact O-N 3.01Å
62T98.8Very high98.5Very high3 Ų346.7 Ų46.72%0.01823%0.229CC..Hα-helixtrans-60.5-35.7173.7-56.80000112.4L17 F19 C49 H56 F57 E59 P60 S66 P89L17-T62 HydrophobicContact CD2-CG2 4.22Å; F19-T62 HydrophobicContact CZ-CG2 4.41Å; C49-T62 HydrophobicContact CB-CG2 4.47Å; H56-T62 WeakPolarHBondContact O-CB 3.42Å; H56-T62 PolarHBondContact O-OG1 2.95Å; F57-T62 HydrophobicContact CD1-CG2 3.95Å; F57-T62 HydrophobicContact CE1-CG2 4.3Å; E59-T62 PolarHBondContact O-N 3.36Å; P60-T62 VanDerWaalsContact C-N 3.28Å; P60-T62 PolarHBondContact O-N 3.2Å; T62-S66 WeakPolarHBondContact O-CB 3.29Å; T62-S66 PolarHBondContact O-N 3.17Å; T62-S66 PolarHBondContact O-OG 2.62Å; T62-P89 HydrophobicContact CG2-CG 4.28Å
63F98.7Very high98.5Very high13 Ų1346.1 Ų46.16%0.05723%0.225CC..Hα-helixtrans-75.2-42.9173.4-59.9-97.1000111F57 E59 P60 D61 S66 W67 P89 M91 A96F57-F63 WeakPolarHBondContact O-CE2 3.38Å; E59-F63 WeakPolarHBondContact O-CD2 3.29Å; P60-F63 WeakPolarHBondContact O-CB 3.42Å; P60-F63 PolarHBondContact O-N 3Å; D61-F63 VanDerWaalsContact C-N 3.28Å; D61-F63 PolarHBondContact O-N 3.42Å; F63-S66 PolarHBondContact O-N 3.31Å; F63-W67 PolarHBondContact O-N 3.01Å; F63-P89 HydrophobicContact CD1-CB 3.97Å; F63-P89 HydrophobicContact CD1-CG 4.37Å; F63-P89 WeakPolarHBondContact CD1-O 3.06Å; F63-P89 HydrophobicContact CE1-CB 3.74Å; F63-P89 HydrophobicContact CZ-CB 4.35Å; F63-M91 HydrophobicContact CD1-CB 4.07Å; F63-M91 HydrophobicContact CD2-CE 4.45Å; F63-M91 HydrophobicContact CE1-CB 3.99Å; F63-M91 HydrophobicContact CE2-CE 4.06Å; F63-M91 HydrophobicContact CZ-CE 4.13Å; F63-A96 HydrophobicContact CE1-CB 4.16Å; F63-A96 HydrophobicContact CZ-CB 3.79Å
64L98.7Very high98.5Very high87 Ų8746 Ų4646%0.45522%0.224SC..Hα-helixtrans-57.9-54.5178.9174.662.4000111.8P60 D61 S66 W67 E68P60-L64 PolarHBondContact O-N 2.78Å; D61-L64 PolarHBondContact O-N 3.07Å; D61-L64 VanDerWaalsContact O-N 3.15Å; L64-S66 VanDerWaalsContact C-N 3.26Å; L64-S66 PolarHBondContact O-N 3.09Å; L64-W67 CarbonylContact O-C 3.56Å; L64-W67 WeakPolarHBondContact O-CA 3.38Å; L64-W67 WeakPolarHBondContact O-CB 3.45Å; L64-W67 PolarHBondContact O-N 3.32Å; L64-E68 PolarHBondContact O-N 2.74Å
65H98.8Very high98.4Very high60 Ų6046.4 Ų46.428%0.27823%0.226SC..Hα-helixtrans-66.3-29.9-179.2-61.6-45000111.9F19 D61 W67 E68 V69F19-H65 HydrophobicContact CD1-CB 3.81Å; F19-H65 HydrophobicContact CD2-CB 3.68Å; F19-H65 HydrophobicContact CE1-CB 3.75Å; F19-H65 HydrophobicContact CE2-CB 3.63Å; F19-H65 HydrophobicContact CG-CB 3.78Å; F19-H65 HydrophobicContact CZ-CB 3.68Å; D61-H65 WeakPolarHBondContact O-CB 3.46Å; D61-H65 PolarHBondContact O-CD2 2.81Å; D61-H65 PolarHBondContact O-N 3.01Å; H65-W67 VanDerWaalsContact C-N 3.34Å; H65-E68 IonicContact CE1-OE2 3.22Å; H65-E68 IonicContact CG-OE2 3.21Å; H65-E68 IonicContact ND1-OE2 2.72Å; H65-E68 PolarHBondContact ND1-OE2 2.87Å; H65-E68 PolarHBondContact O-N 3.18Å; H65-V69 WeakPolarHBondContact O-CG2 3.4Å; H65-V69 PolarHBondContact O-N 3.26Å
66S98.9Very high98.4Very high0 Ų044.2 Ų44.20%022%0.216CC..Hα-helixtrans-64.9-36.4170.2-60.70000112.7T62 F63 L64 L70T62-S66 WeakPolarHBondContact O-CB 3.29Å; T62-S66 PolarHBondContact O-N 3.17Å; T62-S66 PolarHBondContact O-OG 2.62Å; F63-S66 PolarHBondContact O-N 3.31Å; L64-S66 VanDerWaalsContact C-N 3.26Å; L64-S66 PolarHBondContact O-N 3.09Å; S66-L70 WeakPolarHBondContact O-CB 3.44Å; S66-L70 PolarHBondContact O-N 3Å
67W98.8Very high98.2Very high13 Ų1344.5 Ų44.55%0.04923%0.225CC..Hα-helixtrans-74.6-30.9172.8-76.2111.8000113.1F63 L64 H65 L70 L71 M88 V90 I108 I111 Y141 L143 P144 M146 I147F63-W67 PolarHBondContact O-N 3.01Å; L64-W67 CarbonylContact O-C 3.56Å; L64-W67 WeakPolarHBondContact O-CA 3.38Å; L64-W67 WeakPolarHBondContact O-CB 3.45Å; L64-W67 PolarHBondContact O-N 3.32Å; H65-W67 VanDerWaalsContact C-N 3.34Å; W67-L70 HydrophobicContact CE3-CD2 3.59Å; W67-L70 HydrophobicContact CH2-CD2 4.45Å; W67-L70 HydrophobicContact CZ3-CD2 3.46Å; W67-L70 VanDerWaalsContact CZ3-CD2 3.46Å; W67-L71 PolarHBondContact O-N 2.82Å; W67-L71 VanDerWaalsContact O-N 3.11Å; W67-M88 HydrophobicContact CD2-CE 3.63Å; W67-M88 HydrophobicContact CE3-CE 4.14Å; W67-M88 HydrophobicContact CG-CE 3.84Å; W67-M88 HydrophobicContact CZ2-CE 4.28Å; W67-V90 HydrophobicContact CZ2-CG1 4.03Å; W67-V90 HydrophobicContact CZ2-CG2 4.25Å; W67-I108 HydrophobicContact CZ3-CD1 3.95Å; W67-I111 HydrophobicContact CH2-CD1 3.99Å; W67-Y141 AromaticContact CH2-CE1 3.82Å; W67-Y141 HydrophobicContact CH2-CE1 3.82Å; W67-Y141 AromaticContact CZ2-CE1 3.59Å; W67-Y141 HydrophobicContact CZ2-CE1 3.59Å; W67-Y141 AromaticContact CZ2-CZ 3.79Å; W67-Y141 WeakPolarHBondContact CZ2-OH 3.34Å; W67-L143 HydrophobicContact CH2-CD2 3.9Å; W67-L143 HydrophobicContact CZ3-CD2 4.07Å; W67-P144 HydrophobicContact CD2-CG 3.66Å; W67-P144 HydrophobicContact CE3-CG 4.11Å; W67-P144 HydrophobicContact CG-CG 3.91Å; W67-P144 HydrophobicContact CZ2-CG 4.12Å; W67-M146 HydrophobicContact CB-SD 4.31Å; W67-I147 HydrophobicContact CE3-CD1 3.86Å; W67-I147 HydrophobicContact CE3-CG1 3.57Å; W67-I147 HydrophobicContact CZ3-CD1 4.42Å; W67-I147 HydrophobicContact CZ3-CG1 3.88Å
68E98.7Very high98Very high56 Ų5646.4 Ų46.426%0.26223%0.234SC..Hα-helixtrans-61.5-52.3168.5-72.1-175.5122.200111.2L64 H65 L70 L71 E72 M146 R782L64-E68 PolarHBondContact O-N 2.74Å; H65-E68 IonicContact CE1-OE2 3.22Å; H65-E68 IonicContact CG-OE2 3.21Å; H65-E68 IonicContact ND1-OE2 2.72Å; H65-E68 PolarHBondContact ND1-OE2 2.87Å; H65-E68 PolarHBondContact O-N 3.18Å; E68-L70 PolarHBondContact O-N 3.04Å; E68-L71 WeakPolarHBondContact O-CB 3.45Å; E68-L71 PolarHBondContact O-N 3.4Å; E68-L71 VanDerWaalsContact O-N 3.16Å; E68-E72 PolarHBondContact O-N 2.63Å; E68-M146 HydrophobicContact CB-CE 4.29Å; E68-M146 HydrophobicContact CG-CE 3.87Å; E68-R782 IonicContact OE1-NH2 3.72Å; E68-R782 PolarHBondContact OE1-NH2 2.79Å; E68-R782 IonicContact OE2-NH2 2.81Å
69V98.8Very high97.8Very high8 Ų839.6 Ų39.65%0.04821%0.209CC..Hα-helixtrans-62.7-41.7178.2170.30000111.8F19 M23 V48 H65 L71 E72 V73F19-V69 HydrophobicContact CB-CG2 3.84Å; F19-V69 HydrophobicContact CD1-CG2 4.15Å; F19-V69 HydrophobicContact CG-CG2 4.47Å; F19-V69 WeakPolarHBondContact O-CG2 3.41Å; M23-V69 HydrophobicContact CB-CG1 3.75Å; M23-V69 HydrophobicContact CB-CG2 4.28Å; M23-V69 HydrophobicContact CG-CG1 4.04Å; V48-V69 HydrophobicContact CG1-CB 3.78Å; V48-V69 HydrophobicContact CG1-CG1 3.75Å; V48-V69 HydrophobicContact CG2-CG1 4.49Å; H65-V69 WeakPolarHBondContact O-CG2 3.4Å; H65-V69 PolarHBondContact O-N 3.26Å; V69-L71 VanDerWaalsContact C-N 3.27Å; V69-L71 PolarHBondContact O-N 2.99Å; V69-E72 PolarHBondContact O-N 3.28Å; V69-V73 HydrophobicContact CG1-CG2 4.1Å; V69-V73 WeakPolarHBondContact O-CB 3.3Å; V69-V73 VanDerWaalsContact O-CG2 3.28Å; V69-V73 WeakPolarHBondContact O-CG2 3.34Å; V69-V73 PolarHBondContact O-N 3.15Å
70L98.7Very high97.6Very high0 Ų038.6 Ų38.60%021%0.205CC..Hα-helixtrans-58.6-40.7175.5-179.770.9000111.4S66 W67 E68 M74 V86 M88 V101 F103 I108S66-L70 WeakPolarHBondContact O-CB 3.44Å; S66-L70 PolarHBondContact O-N 3Å; W67-L70 HydrophobicContact CE3-CD2 3.59Å; W67-L70 HydrophobicContact CH2-CD2 4.45Å; W67-L70 HydrophobicContact CZ3-CD2 3.46Å; W67-L70 VanDerWaalsContact CZ3-CD2 3.46Å; E68-L70 PolarHBondContact O-N 3.04Å; L70-M74 HydrophobicContact CD1-CG 4.01Å; L70-M74 HydrophobicContact CD1-SD 4.24Å; L70-M74 HydrophobicContact CD2-SD 4.21Å; L70-M74 HydrophobicContact CG-CG 4.12Å; L70-M74 HydrophobicContact CG-SD 3.97Å; L70-M74 VanDerWaalsContact O-CB 3.23Å; L70-M74 WeakPolarHBondContact O-CB 3.32Å; L70-M74 VanDerWaalsContact O-CG 3.26Å; L70-M74 WeakPolarHBondContact O-CG 3.33Å; L70-M74 PolarHBondContact O-N 3.01Å; L70-V86 HydrophobicContact CD1-CG2 3.51Å; L70-M88 HydrophobicContact CB-SD 4.03Å; L70-M88 HydrophobicContact CD2-SD 3.86Å; L70-M88 HydrophobicContact CG-SD 4.34Å; L70-V101 HydrophobicContact CD1-CG1 4.23Å; L70-V101 HydrophobicContact CD2-CG1 3.86Å; L70-F103 HydrophobicContact CD1-CD1 4.24Å; L70-F103 HydrophobicContact CD1-CE1 4.15Å; L70-I108 HydrophobicContact CD2-CD1 3.95Å
71L98.6Very high97.5Very high15 Ų1539.7 Ų39.78%0.07921%0.205CC..Hα-helixtrans-62.5-49.9179.3-179.659000111.5W67 E68 V69 V73 M74 M75 M146 I147 H150W67-L71 PolarHBondContact O-N 2.82Å; W67-L71 VanDerWaalsContact O-N 3.11Å; E68-L71 WeakPolarHBondContact O-CB 3.45Å; E68-L71 PolarHBondContact O-N 3.4Å; E68-L71 VanDerWaalsContact O-N 3.16Å; V69-L71 VanDerWaalsContact C-N 3.27Å; V69-L71 PolarHBondContact O-N 2.99Å; L71-V73 PolarHBondContact O-N 2.96Å; L71-M74 PolarHBondContact O-N 3Å; L71-M75 HydrophobicContact CD1-CE 4.09Å; L71-M75 HydrophobicContact CD1-CG 3.84Å; L71-M75 HydrophobicContact CG-CG 4.45Å; L71-M75 WeakPolarHBondContact O-CB 3.44Å; L71-M75 VanDerWaalsContact O-CG 3.28Å; L71-M75 WeakPolarHBondContact O-CG 3.32Å; L71-M75 PolarHBondContact O-N 2.97Å; L71-M146 HydrophobicContact CB-CE 4.17Å; L71-M146 HydrophobicContact CD2-CB 4.38Å; L71-M146 HydrophobicContact CD2-CE 3.72Å; L71-I147 HydrophobicContact CB-CD1 3.83Å; L71-I147 HydrophobicContact CD1-CD1 4.16Å; L71-I147 HydrophobicContact CG-CD1 4.44Å; L71-H150 HydrophobicContact CD1-CB 3.84Å
72E98.3Very high97.4Very high117 Ų11735.3 Ų35.355%0.54718%0.182SC..Hα-helixtrans-61.9-44.2178.7-66.3-59.9156.500111.7M23 E68 V69 M75 S76M23-E72 HydrophobicContact SD-CB 3.59Å; M23-E72 VanDerWaalsContact SD-CB 3.59Å; M23-E72 HydrophobicContact SD-CG 4.15Å; E68-E72 PolarHBondContact O-N 2.63Å; V69-E72 PolarHBondContact O-N 3.28Å; E72-M75 PolarHBondContact O-N 2.75Å; E72-S76 PolarHBondContact O-N 2.72Å; E72-S76 VanDerWaalsContact O-N 3.1Å
73V98.4Very high97.3Very high2 Ų235.2 Ų35.21%0.01218%0.181CC..Hα-helixtrans-60.9-47.4174.8173.30000110.9M23 I26 L27 I30 V69 L71 M75 S76 C79 F103M23-V73 HydrophobicContact CG-CG2 4.02Å; I26-V73 HydrophobicContact CG2-CG1 3.92Å; I26-V73 HydrophobicContact CG2-CG2 4Å; L27-V73 HydrophobicContact CD2-CG2 4.31Å; L27-V73 HydrophobicContact CG-CG2 4.31Å; I30-V73 HydrophobicContact CD1-CG1 3.81Å; V69-V73 HydrophobicContact CG1-CG2 4.1Å; V69-V73 WeakPolarHBondContact O-CB 3.3Å; V69-V73 VanDerWaalsContact O-CG2 3.28Å; V69-V73 WeakPolarHBondContact O-CG2 3.34Å; V69-V73 PolarHBondContact O-N 3.15Å; L71-V73 PolarHBondContact O-N 2.96Å; V73-M75 PolarHBondContact O-N 2.83Å; V73-S76 WeakPolarHBondContact O-CB 3.35Å; V73-S76 PolarHBondContact O-N 3Å; V73-C79 PolarHBondContact O-SG 3.4Å; V73-F103 HydrophobicContact CG1-CZ 3.89Å
74M97.6Very high97.3Very high1 Ų134.6 Ų34.61%0.00518%0.179CC..Hα-helixtrans-64.3-35.5-179.9-81.7-172.261.300113.7L70 L71 F103 R106 I108 T151L70-M74 HydrophobicContact CD1-CG 4.01Å; L70-M74 HydrophobicContact CD1-SD 4.24Å; L70-M74 HydrophobicContact CD2-SD 4.21Å; L70-M74 HydrophobicContact CG-CG 4.12Å; L70-M74 HydrophobicContact CG-SD 3.97Å; L70-M74 VanDerWaalsContact O-CB 3.23Å; L70-M74 WeakPolarHBondContact O-CB 3.32Å; L70-M74 VanDerWaalsContact O-CG 3.26Å; L70-M74 WeakPolarHBondContact O-CG 3.33Å; L70-M74 PolarHBondContact O-N 3.01Å; L71-M74 PolarHBondContact O-N 3Å; M74-F103 HydrophobicContact CE-CB 4.19Å; M74-F103 HydrophobicContact CG-CB 4.34Å; M74-F103 HydrophobicContact CG-CD1 3.98Å; M74-F103 HydrophobicContact CG-CD2 3.78Å; M74-F103 HydrophobicContact CG-CE1 4.17Å; M74-F103 HydrophobicContact CG-CE2 3.98Å; M74-F103 HydrophobicContact CG-CG 3.78Å; M74-F103 HydrophobicContact CG-CZ 4.18Å; M74-F103 HydrophobicContact SD-CB 4.3Å; M74-F103 HydrophobicContact SD-CG 4.34Å; M74-R106 VanDerWaalsContact CE-C 3.46Å; M74-R106 WeakPolarHBondContact CE-O 3.44Å; M74-I108 HydrophobicContact CE-CG1 3.74Å; M74-I108 HydrophobicContact SD-CD1 3.91Å; M74-I108 HydrophobicContact SD-CG1 3.49Å; M74-I108 WeakPolarHBondContact SD-CG1 3.22Å; M74-T151 HydrophobicContact CE-CG2 3.79Å
75M96.9Very high97.3Very high35 Ų3530.4 Ų30.417%0.17216%0.157CC..Hα-helixtrans-83-15-178.7-65.3-57.7120.400113.2L71 E72 V73 R106 H150 T151L71-M75 HydrophobicContact CD1-CE 4.09Å; L71-M75 HydrophobicContact CD1-CG 3.84Å; L71-M75 HydrophobicContact CG-CG 4.45Å; L71-M75 WeakPolarHBondContact O-CB 3.44Å; L71-M75 VanDerWaalsContact O-CG 3.28Å; L71-M75 WeakPolarHBondContact O-CG 3.32Å; L71-M75 PolarHBondContact O-N 2.97Å; E72-M75 PolarHBondContact O-N 2.75Å; V73-M75 PolarHBondContact O-N 2.83Å; M75-R106 HydrophobicContact CE-CB 3.84Å; M75-R106 HydrophobicContact CE-CG 4.39Å; M75-R106 HydrophobicContact SD-CB 4.38Å; M75-R106 HydrophobicContact SD-CG 4.43Å; M75-H150 HydrophobicContact CE-CB 4.07Å; M75-H150 HydrophobicContact SD-CB 4.1Å; M75-T151 HydrophobicContact CE-CG2 4.21Å
76S97.1Very high97.3Very high17 Ų1727.6 Ų27.612%0.11914%0.144CC..SBendtrans-59.7130.4178.4-178.70000112.5E72 V73 M78 C79E72-S76 PolarHBondContact O-N 2.72Å; E72-S76 VanDerWaalsContact O-N 3.1Å; V73-S76 WeakPolarHBondContact O-CB 3.35Å; V73-S76 PolarHBondContact O-N 3Å; S76-M78 PolarHBondContact O-N 3.25Å; S76-M78 WeakPolarHBondContact OG-CB 3.43Å; S76-M78 WeakPolarHBondContact OG-CG 3.33Å; S76-M78 PolarHBondContact OG-N 3.41Å; S76-C79 WeakPolarHBondContact O-CB 3.36Å; S76-C79 PolarHBondContact O-N 3.21Å
77P95.8Very high97.3Very high85 Ų8527.6 Ų27.655%0.55214%0.144SC*.G310 helixtrans-58-16.9172.5-25.835.4000114.3K34 C79 E80K34-P77 PolarHBondContact NZ-O 2.67Å; P77-C79 PolarHBondContact O-N 3.2Å; P77-E80 PolarHBondContact O-N 2.88Å
78M93Very high97.3Very high44 Ų4427 Ų2722%0.21714%0.142CC..G310 helixtrans-59.9-35.7172.3-61.2175.1178.800111.2L27 I30 L31 K34 S76 E80 V775L27-M78 HydrophobicContact CB-SD 3.99Å; L27-M78 HydrophobicContact CD2-SD 4.1Å; I30-M78 HydrophobicContact CG2-CB 3.89Å; L31-M78 HydrophobicContact CB-SD 4.19Å; L31-M78 HydrophobicContact CD2-CE 4.33Å; K34-M78 WeakPolarHBondContact CD-O 3.44Å; K34-M78 PolarHBondContact NZ-O 3.43Å; S76-M78 PolarHBondContact O-N 3.25Å; S76-M78 WeakPolarHBondContact OG-CB 3.43Å; S76-M78 WeakPolarHBondContact OG-CG 3.33Å; S76-M78 PolarHBondContact OG-N 3.41Å; M78-E80 VanDerWaalsContact C-N 3.34Å; M78-E80 PolarHBondContact O-N 3.1Å; M78-V775 HydrophobicContact CE-CG1 4.4Å
79C94Very high97.3Very high4 Ų424.3 Ų24.33%0.02713%0.129CC..G310 helixtrans-78.9-8.9-178.3-64.90000114.9V73 S76 P77 N81 M82 F103V73-C79 PolarHBondContact O-SG 3.4Å; S76-C79 WeakPolarHBondContact O-CB 3.36Å; S76-C79 PolarHBondContact O-N 3.21Å; P77-C79 PolarHBondContact O-N 3.2Å; C79-N81 PolarHBondContact O-N 3.24Å; C79-M82 PolarHBondContact O-N 2.95Å; C79-F103 HydrophobicContact CB-CE2 4.04Å
80E94Very high97.4Very high68 Ų6824 Ų2432%0.31813%0.127SC..THydrogen-bonded Turntrans-67.4131.2-174.7-67.3179.2172.500112.6K34 P77 M78 M82 R106K34-E80 WeakPolarHBondContact CE-O 3.41Å; K34-E80 PolarHBondContact NZ-O 2.77Å; P77-E80 PolarHBondContact O-N 2.88Å; M78-E80 VanDerWaalsContact C-N 3.34Å; M78-E80 PolarHBondContact O-N 3.1Å; E80-M82 VanDerWaalsContact C-N 3.27Å; E80-M82 PolarHBondContact O-N 3.16Å; E80-R106 IonicContact OE1-CZ 3.62Å; E80-R106 IonicContact OE1-NE 3.1Å; E80-R106 IonicContact OE1-NH2 2.69Å; E80-R106 PolarHBondContact OE1-NH2 3.31Å
81N95.2Very high97.3Very high112 Ų11227.6 Ų27.660%0.59915%0.145SC*.THydrogen-bonded Turntrans60.626.2-178.3-54.1-52.8000115.4C79 N105C79-N81 PolarHBondContact O-N 3.24Å; N81-N105 PolarHBondContact N-OD1 2.99Å; N81-N105 PolarHBondContact OD1-ND2 3.37Å
82M96.7Very high97.3Very high2 Ų227.3 Ų27.31%0.0114%0.143CC..SBendtrans-126.8137.7167.4-178.2161.565.200109.4I30 A33 K34 A38 R41 C79 E80 V84 F104I30-M82 HydrophobicContact CB-CE 4.28Å; I30-M82 HydrophobicContact CG2-CE 3.6Å; I30-M82 WeakPolarHBondContact O-CE 3.38Å; A33-M82 HydrophobicContact CB-CE 4.29Å; A33-M82 HydrophobicContact CB-SD 4.22Å; K34-M82 HydrophobicContact CB-CE 4.21Å; A38-M82 HydrophobicContact CB-SD 4.18Å; R41-M82 HydrophobicContact CB-CE 3.91Å; R41-M82 HydrophobicContact CB-SD 3.97Å; C79-M82 PolarHBondContact O-N 2.95Å; E80-M82 VanDerWaalsContact C-N 3.27Å; E80-M82 PolarHBondContact O-N 3.16Å; M82-V84 HydrophobicContact CB-CG2 4.47Å; M82-V84 HydrophobicContact CE-CG2 4.04Å; M82-V84 HydrophobicContact CG-CG2 4.12Å; M82-F104 WeakPolarHBondContact O-CD2 3.19Å
83L98.4Very high97.3Very high0 Ų029.2 Ų29.20%015%0.145CC..EExtended strand (participates in β ladder)trans-74.7132.4167.9178.366000108.1S39 Y40 R41 F104 L109 L170 F305 M307S39-L83 PolarHBondContact O-N 3.11Å; Y40-L83 VanDerWaalsContact CA-O 3.29Å; Y40-L83 WeakPolarHBondContact CA-O 3.49Å; Y40-L83 HydrophobicContact CD2-CB 3.87Å; Y40-L83 HydrophobicContact CD2-CD2 3.78Å; Y40-L83 HydrophobicContact CD2-CG 3.65Å; Y40-L83 VanDerWaalsContact CD2-O 3.29Å; Y40-L83 WeakPolarHBondContact CD2-O 3.37Å; Y40-L83 HydrophobicContact CE2-CD2 4.17Å; Y40-L83 HydrophobicContact CE2-CG 4.06Å; R41-L83 PolarHBondContact N-O 2.93Å; L83-F104 HydrophobicContact CB-CD2 4.43Å; L83-F104 HydrophobicContact CD1-CB 4.07Å; L83-L109 HydrophobicContact CD1-CD1 3.6Å; L83-L170 HydrophobicContact CD2-CD1 3.88Å; L83-L170 HydrophobicContact CD2-CD2 3.93Å; L83-F305 HydrophobicContact CB-CD1 4.28Å; L83-F305 HydrophobicContact CB-CE1 3.97Å; L83-M307 HydrophobicContact CD2-SD 4.44Å
84V98.7Very high97.2Very high0 Ų036.3 Ų36.30%018%0.183CC..EExtended strand (participates in β ladder)trans-134.8142.7-178.2-179.20000109.8I30 R41 M82 V86 A102 F103I30-V84 HydrophobicContact CD1-CG1 3.99Å; I30-V84 HydrophobicContact CG1-CG1 4.33Å; R41-V84 WeakPolarHBondContact O-CA 3.42Å; M82-V84 HydrophobicContact CB-CG2 4.47Å; M82-V84 HydrophobicContact CE-CG2 4.04Å; M82-V84 HydrophobicContact CG-CG2 4.12Å; V84-V86 HydrophobicContact CG1-CG1 4.39Å; V84-A102 CarbonylContact O-C 3.59Å; V84-A102 WeakPolarHBondContact O-CA 3.32Å; V84-F103 HydrophobicContact CB-CD2 4.32Å; V84-F103 HydrophobicContact CB-CE1 4.02Å; V84-F103 HydrophobicContact CB-CE2 3.75Å; V84-F103 HydrophobicContact CB-CZ 3.57Å; V84-F103 HydrophobicContact CG1-CE1 3.77Å; V84-F103 HydrophobicContact CG1-CE2 4.14Å; V84-F103 HydrophobicContact CG1-CZ 3.44Å; V84-F103 VanDerWaalsContact CG1-CZ 3.44Å; V84-F103 HydrophobicContact CG2-CE2 4.33Å; V84-F103 HydrophobicContact CG2-CZ 4.41Å; V84-F103 PolarHBondContact N-O 2.93Å; V84-F103 PolarHBondContact O-N 2.97Å; V84-F103 VanDerWaalsContact O-O 3.08Å
85D98.7Very high97.3Very high0 Ų038.5 Ų38.50%020%0.196CC..EExtended strand (participates in β ladder)trans-127.9148.2162.274.7-76.6000112Y40 R41 T42 R100 V101 A102 Y172Y40-D85 WeakPolarHBondContact CE2-OD1 3.31Å; Y40-D85 VanDerWaalsContact CZ-OD1 3.3Å; Y40-D85 PolarHBondContact OH-OD1 3.09Å; R41-D85 PolarHBondContact NH1-O 3.35Å; R41-D85 PolarHBondContact O-N 3.03Å; T42-D85 WeakPolarHBondContact CA-OD1 3.44Å; T42-D85 WeakPolarHBondContact CB-OD1 3.4Å; T42-D85 PolarHBondContact OG1-OD1 2.74Å; T42-D85 PolarHBondContact OG1-OD2 2.9Å; D85-R100 PolarHBondContact O-NH2 3.4Å; D85-R100 IonicContact OD2-CZ 3.06Å; D85-R100 IonicContact OD2-NE 3.6Å; D85-R100 PolarHBondContact OD2-NE 2.82Å; D85-R100 IonicContact OD2-NH2 3.77Å; D85-R100 PolarHBondContact OD2-NH2 2.86Å; D85-V101 VanDerWaalsContact CA-O 3.3Å; D85-V101 WeakPolarHBondContact CA-O 3.29Å; D85-A102 HydrophobicContact CB-CB 3.92Å; D85-Y172 HydrophobicContact CB-CE1 3.93Å
86V98.9Very high97.4Very high1 Ų137.5 Ų37.51%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-131155.5177.2-62.80000111.7I26 E47 V48 L70 V84 R100 V101 F103I26-V86 HydrophobicContact CG2-CG1 4.1Å; E47-V86 HydrophobicContact CG-CB 4.41Å; E47-V86 WeakPolarHBondContact OE1-CA 3.43Å; V48-V86 HydrophobicContact CG2-CB 4.13Å; V48-V86 HydrophobicContact CG2-CG2 4.11Å; L70-V86 HydrophobicContact CD1-CG2 3.51Å; V84-V86 HydrophobicContact CG1-CG1 4.39Å; V86-R100 VanDerWaalsContact C-NH2 3.29Å; V86-R100 VanDerWaalsContact CA-NH2 3.32Å; V86-R100 CarbonylContact O-C 3.5Å; V86-R100 WeakPolarHBondContact O-CA 3.25Å; V86-V101 HydrophobicContact CG2-CB 4.47Å; V86-V101 PolarHBondContact N-O 3.46Å; V86-V101 PolarHBondContact O-N 2.75Å; V86-F103 HydrophobicContact CG1-CE1 4.21Å; V86-F103 HydrophobicContact CG2-CE1 4.2Å
87G98.9Very high97.5Very high0 Ų037.7 Ų37.70%019%0.192CC..EExtended strand (participates in β ladder)trans-98.7127.2178.900000112.5L46 E47 V48 C99 R100L46-G87 CarbonylContact C-O 3.55Å; L46-G87 WeakPolarHBondContact CA-O 3.16Å; E47-G87 PolarHBondContact N-O 2.81Å; E47-G87 VanDerWaalsContact N-O 3.15Å; E47-G87 PolarHBondContact OE1-N 3.49Å; V48-G87 WeakPolarHBondContact CB-O 3.43Å; V48-G87 WeakPolarHBondContact CG2-O 3.38Å; V48-G87 PolarHBondContact N-O 2.87Å; G87-C99 WeakPolarHBondContact CA-O 3.09Å; G87-R100 VanDerWaalsContact N-CZ 3.31Å; G87-R100 VanDerWaalsContact N-NH1 3.11Å
88M98.9Very high97.6Very high0 Ų033.7 Ų33.70%017%0.166CC..EExtended strand (participates in β ladder)trans-155.5157.1177.362.5178.9-79.700112.7V48 W67 L70 V90 C99 V101V48-M88 HydrophobicContact CB-CB 4Å; V48-M88 HydrophobicContact CG1-CB 4.46Å; V48-M88 HydrophobicContact CG2-CB 4.15Å; W67-M88 HydrophobicContact CD2-CE 3.63Å; W67-M88 HydrophobicContact CE3-CE 4.14Å; W67-M88 HydrophobicContact CG-CE 3.84Å; W67-M88 HydrophobicContact CZ2-CE 4.28Å; L70-M88 HydrophobicContact CB-SD 4.03Å; L70-M88 HydrophobicContact CD2-SD 3.86Å; L70-M88 HydrophobicContact CG-SD 4.34Å; M88-V90 HydrophobicContact CE-CG2 4.16Å; M88-V90 HydrophobicContact CG-CG2 4.09Å; M88-C99 PolarHBondContact N-O 3.3Å; M88-C99 PolarHBondContact O-N 2.82Å; M88-C99 VanDerWaalsContact O-N 3.09Å; M88-V101 HydrophobicContact CG-CG2 3.68Å; M88-V101 HydrophobicContact SD-CG2 3.83Å
89P98.9Very high97.9Very high0 Ų031.6 Ų31.60%016%0.156CC..EExtended strand (participates in β ladder)trans-73.9133.4170.831.8-35.2000110.3C49 F57 T62 F63 Y97 F129C49-P89 VanDerWaalsContact SG-CD 3.59Å; F57-P89 HydrophobicContact CD1-CB 4.2Å; F57-P89 HydrophobicContact CD1-CG 4.24Å; F57-P89 HydrophobicContact CE1-CB 4.4Å; F57-P89 HydrophobicContact CE1-CG 4.22Å; T62-P89 HydrophobicContact CG2-CG 4.28Å; F63-P89 HydrophobicContact CD1-CB 3.97Å; F63-P89 HydrophobicContact CD1-CG 4.37Å; F63-P89 WeakPolarHBondContact CD1-O 3.06Å; F63-P89 HydrophobicContact CE1-CB 3.74Å; F63-P89 HydrophobicContact CZ-CB 4.35Å; P89-Y97 WeakPolarHBondContact CA-O 3.28Å; P89-F129 HydrophobicContact CB-CE1 3.82Å; P89-F129 HydrophobicContact CB-CZ 4.16Å
90V98.9Very high98.1Very high0 Ų031.5 Ų31.50%016%0.155CC..EExtended strand (participates in β ladder)trans-129.4129177.2-179.50000109.9W67 M88 Y97 C99 V101 I111 Y141 F158W67-V90 HydrophobicContact CZ2-CG1 4.03Å; W67-V90 HydrophobicContact CZ2-CG2 4.25Å; M88-V90 HydrophobicContact CE-CG2 4.16Å; M88-V90 HydrophobicContact CG-CG2 4.09Å; V90-Y97 PolarHBondContact N-O 2.86Å; V90-Y97 PolarHBondContact O-N 3.48Å; V90-C99 HydrophobicContact CB-CB 4.33Å; V90-C99 HydrophobicContact CG2-CB 3.91Å; V90-V101 HydrophobicContact CG2-CG2 4.27Å; V90-I111 HydrophobicContact CG2-CG2 4.18Å; V90-Y141 HydrophobicContact CG1-CD2 4.36Å; V90-Y141 HydrophobicContact CG1-CE1 4.42Å; V90-Y141 HydrophobicContact CG1-CE2 3.56Å; V90-F158 HydrophobicContact CB-CE2 4.27Å; V90-F158 HydrophobicContact CG1-CD2 4.47Å; V90-F158 HydrophobicContact CG1-CE2 3.84Å
91M98.5Very high98.3Very high77 Ų7728.3 Ų28.338%0.37914%0.14SC..EExtended strand (participates in β ladder)trans-95.5115172.8-169.2-178.2-63.500110.2F63 V95 Y141F63-M91 HydrophobicContact CD1-CB 4.07Å; F63-M91 HydrophobicContact CD2-CE 4.45Å; F63-M91 HydrophobicContact CE1-CB 3.99Å; F63-M91 HydrophobicContact CE2-CE 4.06Å; F63-M91 HydrophobicContact CZ-CE 4.13Å; M91-V95 CarbonylContact C-O 3.53Å; M91-V95 WeakPolarHBondContact CA-O 3.5Å; M91-Y141 WeakPolarHBondContact O-CE2 3.46Å; M91-Y141 PolarHBondContact O-OH 2.99Å
92H98.4Very high98.5Very high9 Ų923 Ų234%0.04211%0.112CC..EExtended strand (participates in β ladder)trans-114.9124.1176.217457.5000109.5N94 V95 Y97 E139 Y141 F158H92-N94 VanDerWaalsContact C-N 3.28Å; H92-N94 PolarHBondContact O-N 2.8Å; H92-V95 PolarHBondContact N-O 2.9Å; H92-V95 PolarHBondContact O-N 2.95Å; H92-Y97 HydrophobicContact CB-CD2 4.15Å; H92-Y97 HydrophobicContact CB-CE2 4.01Å; H92-E139 IonicContact CD2-OE2 3.56Å; H92-E139 IonicContact CE1-OE2 2.82Å; H92-E139 IonicContact NE2-OE2 3.54Å; H92-E139 PolarHBondContact NE2-OE2 2.94Å; H92-Y141 HydrophobicContact CB-CD2 3.86Å; H92-Y141 HydrophobicContact CB-CE2 3.95Å; H92-Y141 AromaticContact CG-CD2 3.97Å; H92-Y141 AromaticContact ND1-CD2 3.5Å; H92-F158 HydrophobicContact CB-CD1 4.33Å; H92-F158 HydrophobicContact CB-CD2 4.33Å; H92-F158 HydrophobicContact CB-CE1 3.88Å; H92-F158 HydrophobicContact CB-CE2 3.9Å; H92-F158 HydrophobicContact CB-CZ 3.67Å; H92-F158 AromaticContact CD2-CD1 3.61Å; H92-F158 AromaticContact CD2-CE1 3.6Å; H92-F158 AromaticContact CG-CD1 3.99Å; H92-F158 AromaticContact CG-CE1 3.94Å
93R97.6Very high98.6Very high157 Ų15723 Ų2359%0.59211%0.112SC*.THydrogen-bonded Turntrans4846.1-178.5-59.7178.5-175.7173.29.6113.6V95 E139R93-V95 PolarHBondContact O-N 2.96Å; R93-E139 VanDerWaalsContact CZ-CD 3.45Å; R93-E139 IonicContact CZ-OE1 3.37Å; R93-E139 IonicContact CZ-OE2 3.44Å; R93-E139 IonicContact NE-OE2 3.96Å; R93-E139 IonicContact NH1-OE1 2.7Å; R93-E139 PolarHBondContact NH1-OE1 2.9Å; R93-E139 IonicContact NH1-OE2 3.3Å; R93-E139 PolarHBondContact NH1-OE2 3.48Å; R93-E139 IonicContact NH2-OE1 3.46Å; R93-E139 PolarHBondContact NH2-OE1 3.21Å; R93-E139 IonicContact NH2-OE2 3.73Å
94N97.3Very high98.6Very high151 Ų15124.1 Ų24.181%0.80712%0.116SC*.THydrogen-bonded Turntrans63.717.7-177.4-54.1-15.5000115.5H92H92-N94 VanDerWaalsContact C-N 3.28Å; H92-N94 PolarHBondContact O-N 2.8Å
95V98.4Very high98.5Very high46 Ų4626.9 Ų26.928%0.27913%0.131SC..EExtended strand (participates in β ladder)trans-113.5129.5172.5-176.90000109M91 H92 R93 Y97 T130M91-V95 CarbonylContact C-O 3.53Å; M91-V95 WeakPolarHBondContact CA-O 3.5Å; H92-V95 PolarHBondContact N-O 2.9Å; H92-V95 PolarHBondContact O-N 2.95Å; R93-V95 PolarHBondContact O-N 2.96Å; V95-Y97 HydrophobicContact CB-CD2 4.48Å; V95-Y97 HydrophobicContact CB-CE2 3.67Å; V95-Y97 HydrophobicContact CG1-CD2 4.32Å; V95-Y97 HydrophobicContact CG1-CE1 4.2Å; V95-Y97 HydrophobicContact CG1-CE2 3.62Å; V95-Y97 VanDerWaalsContact O-CD2 3.26Å; V95-Y97 WeakPolarHBondContact O-CD2 3.5Å; V95-Y97 WeakPolarHBondContact O-CE2 3.34Å; V95-T130 VanDerWaalsContact CG1-CB 3.45Å; V95-T130 HydrophobicContact CG1-CG2 3.95Å; V95-T130 WeakPolarHBondContact CG1-OG1 3.24Å
96A98.6Very high98.4Very high15 Ų1531.7 Ų31.712%0.12415%0.149CC..EExtended strand (participates in β ladder)trans-84.4133.2178.300000111.4F63 W128 F129 T130F63-A96 HydrophobicContact CE1-CB 4.16Å; F63-A96 HydrophobicContact CZ-CB 3.79Å; A96-W128 WeakPolarHBondContact CB-O 3.47Å; A96-F129 HydrophobicContact CB-CD1 4.29Å; A96-F129 WeakPolarHBondContact O-CA 3.44Å; A96-T130 PolarHBondContact O-N 2.95Å
97Y98.9Very high98.4Very high21 Ų2135.1 Ų35.18%0.08217%0.165CC..EExtended strand (participates in β ladder)trans-128.9141.8177.8-62.6-86.2000110.4P89 V90 H92 V95 P113 F129 T130 W132 F158P89-Y97 WeakPolarHBondContact CA-O 3.28Å; V90-Y97 PolarHBondContact N-O 2.86Å; V90-Y97 PolarHBondContact O-N 3.48Å; H92-Y97 HydrophobicContact CB-CD2 4.15Å; H92-Y97 HydrophobicContact CB-CE2 4.01Å; V95-Y97 HydrophobicContact CB-CD2 4.48Å; V95-Y97 HydrophobicContact CB-CE2 3.67Å; V95-Y97 HydrophobicContact CG1-CD2 4.32Å; V95-Y97 HydrophobicContact CG1-CE1 4.2Å; V95-Y97 HydrophobicContact CG1-CE2 3.62Å; V95-Y97 VanDerWaalsContact O-CD2 3.26Å; V95-Y97 WeakPolarHBondContact O-CD2 3.5Å; V95-Y97 WeakPolarHBondContact O-CE2 3.34Å; Y97-P113 HydrophobicContact CD1-CB 3.72Å; Y97-P113 HydrophobicContact CG-CB 3.89Å; Y97-F129 VanDerWaalsContact C-CD1 3.43Å; Y97-T130 WeakPolarHBondContact CD1-O 3.36Å; Y97-T130 WeakPolarHBondContact CE1-O 3.26Å; Y97-W132 HydrophobicContact CD1-CB 4.47Å; Y97-W132 HydrophobicContact CE1-CB 4.26Å; Y97-W132 AromaticContact CE1-CE3 3.92Å; Y97-W132 HydrophobicContact CE1-CE3 3.92Å; Y97-W132 AromaticContact CZ-CE3 3.9Å; Y97-F158 HydrophobicContact CD2-CE1 4.06Å; Y97-F158 AromaticContact CD2-CZ 3.53Å; Y97-F158 HydrophobicContact CD2-CZ 3.53Å; Y97-F158 HydrophobicContact CE2-CE1 4.13Å; Y97-F158 HydrophobicContact CE2-CZ 4.05Å; Y97-F158 HydrophobicContact CG-CE1 4.42Å; Y97-F158 AromaticContact CG-CZ 3.84Å; Y97-F158 HydrophobicContact CG-CZ 3.84Å
98N98.8Very high98.3Very high1 Ų135.2 Ų35.21%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-79.2124.8161.7169.7-6.3000107.2E45 L46 P113 K114 F129E45-N98 PolarHBondContact OE1-ND2 2.79Å; L46-N98 HydrophobicContact CD2-CB 4.21Å; L46-N98 WeakPolarHBondContact CD2-OD1 3.4Å; N98-P113 CarbonylContact O-C 3.34Å; N98-P113 WeakPolarHBondContact O-CA 3.42Å; N98-K114 HydrophobicContact CB-CB 4.29Å; N98-K114 WeakPolarHBondContact O-CB 3.49Å; N98-K114 PolarHBondContact O-N 3.42Å; N98-F129 HydrophobicContact CB-CD1 4.15Å; N98-F129 HydrophobicContact CB-CD2 3.89Å; N98-F129 HydrophobicContact CB-CE1 4.3Å; N98-F129 HydrophobicContact CB-CE2 4.05Å; N98-F129 HydrophobicContact CB-CG 3.93Å; N98-F129 HydrophobicContact CB-CZ 4.24Å
99C98.9Very high98.3Very high0 Ų036.2 Ų36.20%017%0.171CC..EExtended strand (participates in β ladder)trans-133.1149.2-169.5-69.10000113.8G87 M88 V90 I111 R112 P113G87-C99 WeakPolarHBondContact CA-O 3.09Å; M88-C99 PolarHBondContact N-O 3.3Å; M88-C99 PolarHBondContact O-N 2.82Å; M88-C99 VanDerWaalsContact O-N 3.09Å; V90-C99 HydrophobicContact CB-CB 4.33Å; V90-C99 HydrophobicContact CG2-CB 3.91Å; C99-I111 HydrophobicContact CB-CG2 3.81Å; C99-R112 WeakPolarHBondContact CA-O 3.37Å; C99-P113 VanDerWaalsContact SG-CA 3.56Å
100R98.9Very high98.3Very high2 Ų236.3 Ų36.31%0.00817%0.171CC..EExtended strand (participates in β ladder)trans-84.8138.3149.1-56.6-48.6-61.7173-2.5109.3G43 P44 E47 D85 V86 G87 I111 R112 Y172 I174 S199G43-R100 PolarHBondContact O-NH1 3.21Å; G43-R100 PolarHBondContact O-NH2 3.33Å; G43-R100 VanDerWaalsContact O-NH2 3.11Å; P44-R100 PolarHBondContact O-NH1 3.18Å; E47-R100 IonicContact OE1-CZ 2.91Å; E47-R100 IonicContact OE1-NH1 3.99Å; E47-R100 IonicContact OE1-NH2 3.7Å; E47-R100 PolarHBondContact OE1-NH2 2.97Å; D85-R100 PolarHBondContact O-NH2 3.4Å; D85-R100 IonicContact OD2-CZ 3.06Å; D85-R100 IonicContact OD2-NE 3.6Å; D85-R100 PolarHBondContact OD2-NE 2.82Å; D85-R100 IonicContact OD2-NH2 3.77Å; D85-R100 PolarHBondContact OD2-NH2 2.86Å; V86-R100 VanDerWaalsContact C-NH2 3.29Å; V86-R100 VanDerWaalsContact CA-NH2 3.32Å; V86-R100 CarbonylContact O-C 3.5Å; V86-R100 WeakPolarHBondContact O-CA 3.25Å; G87-R100 VanDerWaalsContact N-CZ 3.31Å; G87-R100 VanDerWaalsContact N-NH1 3.11Å; R100-I111 CarbonylContact O-C 3.58Å; R100-I111 WeakPolarHBondContact O-CA 3.21Å; R100-R112 PolarHBondContact N-O 3.33Å; R100-R112 PolarHBondContact O-N 3.36Å; R100-Y172 HydrophobicContact CB-CD1 4.31Å; R100-Y172 HydrophobicContact CG-CD1 4.06Å; R100-Y172 HydrophobicContact CG-CG 4.42Å; R100-I174 HydrophobicContact CG-CD1 3.88Å; R100-I174 HydrophobicContact CG-CG1 4.09Å; R100-S199 PolarHBondContact NE-OG 2.92Å; R100-S199 VanDerWaalsContact NE-OG 3.09Å; R100-S199 PolarHBondContact NH1-OG 3.09Å; R100-S199 PolarHBondContact NH2-OG 2.9Å
101V98.9Very high98.3Very high0 Ų036.3 Ų36.30%017%0.171CC..EExtended strand (participates in β ladder)trans-117.1111.3167.7-177.90000107.8L70 D85 V86 M88 V90 I108 I111L70-V101 HydrophobicContact CD1-CG1 4.23Å; L70-V101 HydrophobicContact CD2-CG1 3.86Å; D85-V101 VanDerWaalsContact CA-O 3.3Å; D85-V101 WeakPolarHBondContact CA-O 3.29Å; V86-V101 HydrophobicContact CG2-CB 4.47Å; V86-V101 PolarHBondContact N-O 3.46Å; V86-V101 PolarHBondContact O-N 2.75Å; M88-V101 HydrophobicContact CG-CG2 3.68Å; M88-V101 HydrophobicContact SD-CG2 3.83Å; V90-V101 HydrophobicContact CG2-CG2 4.27Å; V101-I108 HydrophobicContact CG1-CD1 4.13Å; V101-I108 HydrophobicContact CG1-CG1 4.19Å; V101-I108 HydrophobicContact CG1-CG2 4.01Å; V101-I111 HydrophobicContact CG1-CG1 4.36Å; V101-I111 HydrophobicContact CG2-CG1 4.24Å; V101-I111 HydrophobicContact CG2-CG2 4.19Å
102A98.8Very high98.4Very high1 Ų132.7 Ų32.71%0.00815%0.153CC..EExtended strand (participates in β ladder)trans-101.3132.8-17900000110.7V84 D85 L109 L110 I163 Y172V84-A102 CarbonylContact O-C 3.59Å; V84-A102 WeakPolarHBondContact O-CA 3.32Å; D85-A102 HydrophobicContact CB-CB 3.92Å; A102-L109 PolarHBondContact O-N 3.42Å; A102-L110 PolarHBondContact N-O 3.2Å; A102-L110 PolarHBondContact O-N 3.4Å; A102-I163 HydrophobicContact CB-CD1 3.56Å; A102-Y172 HydrophobicContact CB-CE2 4.23Å; A102-Y172 WeakPolarHBondContact CB-OH 3.42Å
103F98.7Very high98.4Very high2 Ų232.2 Ų32.21%0.00915%0.152CC..EExtended strand (participates in β ladder)trans-143154.6-175.564.5-92000112.5L70 V73 M74 C79 V84 V86 Q107 I108L70-F103 HydrophobicContact CD1-CD1 4.24Å; L70-F103 HydrophobicContact CD1-CE1 4.15Å; V73-F103 HydrophobicContact CG1-CZ 3.89Å; M74-F103 HydrophobicContact CE-CB 4.19Å; M74-F103 HydrophobicContact CG-CB 4.34Å; M74-F103 HydrophobicContact CG-CD1 3.98Å; M74-F103 HydrophobicContact CG-CD2 3.78Å; M74-F103 HydrophobicContact CG-CE1 4.17Å; M74-F103 HydrophobicContact CG-CE2 3.98Å; M74-F103 HydrophobicContact CG-CG 3.78Å; M74-F103 HydrophobicContact CG-CZ 4.18Å; M74-F103 HydrophobicContact SD-CB 4.3Å; M74-F103 HydrophobicContact SD-CG 4.34Å; C79-F103 HydrophobicContact CB-CE2 4.04Å; V84-F103 HydrophobicContact CB-CD2 4.32Å; V84-F103 HydrophobicContact CB-CE1 4.02Å; V84-F103 HydrophobicContact CB-CE2 3.75Å; V84-F103 HydrophobicContact CB-CZ 3.57Å; V84-F103 HydrophobicContact CG1-CE1 3.77Å; V84-F103 HydrophobicContact CG1-CE2 4.14Å; V84-F103 HydrophobicContact CG1-CZ 3.44Å; V84-F103 VanDerWaalsContact CG1-CZ 3.44Å; V84-F103 HydrophobicContact CG2-CE2 4.33Å; V84-F103 HydrophobicContact CG2-CZ 4.41Å; V84-F103 PolarHBondContact N-O 2.93Å; V84-F103 PolarHBondContact O-N 2.97Å; V84-F103 VanDerWaalsContact O-O 3.08Å; V86-F103 HydrophobicContact CG1-CE1 4.21Å; V86-F103 HydrophobicContact CG2-CE1 4.2Å; F103-Q107 CarbonylContact C-O 3.56Å; F103-Q107 WeakPolarHBondContact CA-O 3.07Å; F103-Q107 WeakPolarHBondContact CB-O 3.43Å; F103-I108 HydrophobicContact CB-CG1 4.42Å
104F98.3Very high98.4Very high23 Ų2324.8 Ų24.810%0.10112%0.123CC..EExtended strand (participates in β ladder)trans-144.4136.5176.8177.2-110.6000109.1M82 L83 R106 Q107 L109 F305M82-F104 WeakPolarHBondContact O-CD2 3.19Å; L83-F104 HydrophobicContact CB-CD2 4.43Å; L83-F104 HydrophobicContact CD1-CB 4.07Å; F104-R106 VanDerWaalsContact C-N 3.3Å; F104-R106 PolarHBondContact O-N 2.72Å; F104-R106 VanDerWaalsContact O-N 3.14Å; F104-Q107 PolarHBondContact N-O 2.88Å; F104-Q107 PolarHBondContact O-N 2.96Å; F104-L109 HydrophobicContact CB-CD1 3.87Å; F104-L109 HydrophobicContact CB-CG 4.41Å; F104-F305 HydrophobicContact CD2-CD1 4.3Å; F104-F305 HydrophobicContact CD2-CE1 4.48Å; F104-F305 HydrophobicContact CD2-CG 4.34Å; F104-F305 HydrophobicContact CE1-CB 4.02Å; F104-F305 HydrophobicContact CE1-CD2 4.29Å; F104-F305 HydrophobicContact CE1-CG 4.25Å; F104-F305 HydrophobicContact CE2-CB 4.28Å; F104-F305 AromaticContact CE2-CD1 3.91Å; F104-F305 HydrophobicContact CE2-CD1 3.91Å; F104-F305 AromaticContact CE2-CD2 3.51Å; F104-F305 HydrophobicContact CE2-CD2 3.51Å; F104-F305 HydrophobicContact CE2-CE1 4.03Å; F104-F305 AromaticContact CE2-CE2 3.65Å; F104-F305 HydrophobicContact CE2-CE2 3.65Å; F104-F305 AromaticContact CE2-CG 3.65Å; F104-F305 HydrophobicContact CE2-CG 3.65Å; F104-F305 AromaticContact CE2-CZ 3.9Å; F104-F305 HydrophobicContact CE2-CZ 3.9Å; F104-F305 HydrophobicContact CZ-CB 3.87Å; F104-F305 HydrophobicContact CZ-CD1 4.32Å; F104-F305 AromaticContact CZ-CD2 3.32Å; F104-F305 HydrophobicContact CZ-CD2 3.32Å; F104-F305 AromaticContact CZ-CE2 3.86Å; F104-F305 HydrophobicContact CZ-CE2 3.86Å; F104-F305 AromaticContact CZ-CG 3.6Å; F104-F305 HydrophobicContact CZ-CG 3.6Å
105N96.7Very high98.5Very high58 Ų5818.7 Ų18.731%0.319%0.09SC..THydrogen-bonded Turntrans41.354.1176.8-81.3-13.7000114.1N81 Q107N81-N105 PolarHBondContact N-OD1 2.99Å; N81-N105 PolarHBondContact OD1-ND2 3.37Å; N105-Q107 VanDerWaalsContact C-N 3.25Å; N105-Q107 PolarHBondContact O-N 3.24Å
106R96.6Very high98.4Very high102 Ų10217.2 Ų17.239%0.3858%0.083SC..THydrogen-bonded Turntrans64.418.8177.9-44-175.6-171.4-161.73.8115.2M74 M75 E80 F104 T151M74-R106 VanDerWaalsContact CE-C 3.46Å; M74-R106 WeakPolarHBondContact CE-O 3.44Å; M75-R106 HydrophobicContact CE-CB 3.84Å; M75-R106 HydrophobicContact CE-CG 4.39Å; M75-R106 HydrophobicContact SD-CB 4.38Å; M75-R106 HydrophobicContact SD-CG 4.43Å; E80-R106 IonicContact OE1-CZ 3.62Å; E80-R106 IonicContact OE1-NE 3.1Å; E80-R106 IonicContact OE1-NH2 2.69Å; E80-R106 PolarHBondContact OE1-NH2 3.31Å; F104-R106 VanDerWaalsContact C-N 3.3Å; F104-R106 PolarHBondContact O-N 2.72Å; F104-R106 VanDerWaalsContact O-N 3.14Å; R106-T151 VanDerWaalsContact O-CG2 3.26Å; R106-T151 WeakPolarHBondContact O-CG2 3.2Å
107Q98Very high98.3Very high72 Ų7217.9 Ų17.934%0.3368%0.084SC..EExtended strand (participates in β ladder)trans-119.6132.2173.6-59.7-67.6-71.600110.4F103 F104 N105 T151 Q153F103-Q107 CarbonylContact C-O 3.56Å; F103-Q107 WeakPolarHBondContact CA-O 3.07Å; F103-Q107 WeakPolarHBondContact CB-O 3.43Å; F104-Q107 PolarHBondContact N-O 2.88Å; F104-Q107 PolarHBondContact O-N 2.96Å; N105-Q107 VanDerWaalsContact C-N 3.25Å; N105-Q107 PolarHBondContact O-N 3.24Å; Q107-T151 PolarHBondContact NE2-O 3.31Å; Q107-Q153 VanDerWaalsContact OE1-CD 3.29Å
108I98.6Very high98.1Very high2 Ų217.1 Ų17.11%0.018%0.081CC..EExtended strand (participates in β ladder)trans-76.5130.1169.4-65.4172000108.3W67 L70 M74 V101 F103 I111 L143 I147 Q153 V156W67-I108 HydrophobicContact CZ3-CD1 3.95Å; L70-I108 HydrophobicContact CD2-CD1 3.95Å; M74-I108 HydrophobicContact CE-CG1 3.74Å; M74-I108 HydrophobicContact SD-CD1 3.91Å; M74-I108 HydrophobicContact SD-CG1 3.49Å; M74-I108 WeakPolarHBondContact SD-CG1 3.22Å; V101-I108 HydrophobicContact CG1-CD1 4.13Å; V101-I108 HydrophobicContact CG1-CG1 4.19Å; V101-I108 HydrophobicContact CG1-CG2 4.01Å; F103-I108 HydrophobicContact CB-CG1 4.42Å; I108-I111 HydrophobicContact CG2-CG1 4.19Å; I108-L143 HydrophobicContact CD1-CD2 3.84Å; I108-I147 HydrophobicContact CD1-CG2 3.99Å; I108-Q153 PolarHBondContact O-NE2 3.44Å; I108-V156 HydrophobicContact CB-CG1 4.02Å; I108-V156 HydrophobicContact CG2-CB 4.23Å; I108-V156 HydrophobicContact CG2-CG1 4.02Å; I108-V156 HydrophobicContact CG2-CG2 4.16Å
109L98.7Very high98Very high22 Ų2220.8 Ų20.812%0.11510%0.101CC..EExtended strand (participates in β ladder)trans-96.3-45.6179.9-59175.6000111.4L83 A102 F104 P157 I163 I301 C303L83-L109 HydrophobicContact CD1-CD1 3.6Å; A102-L109 PolarHBondContact O-N 3.42Å; F104-L109 HydrophobicContact CB-CD1 3.87Å; F104-L109 HydrophobicContact CB-CG 4.41Å; L109-P157 WeakPolarHBondContact O-CD 3.42Å; L109-I163 HydrophobicContact CB-CD1 4.05Å; L109-I163 HydrophobicContact CD1-CD1 4.07Å; L109-I163 HydrophobicContact CD1-CG2 4.29Å; L109-I301 HydrophobicContact CB-CG2 4.29Å; L109-I301 WeakPolarHBondContact O-CG2 3.42Å; L109-C303 HydrophobicContact CD1-CB 3.98Å
110L98.9Very high97.6Very high1 Ų126 Ų261%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-153.7139.2-173.2175.460.6000110.9A102 R112 P157 A161 I163 Y172 I301A102-L110 PolarHBondContact N-O 3.2Å; A102-L110 PolarHBondContact O-N 3.4Å; L110-R112 HydrophobicContact CD2-CB 4.41Å; L110-R112 HydrophobicContact CG-CB 4.43Å; L110-P157 HydrophobicContact CD1-CB 4.13Å; L110-A161 HydrophobicContact CD1-CB 3.85Å; L110-A161 HydrophobicContact CD2-CB 4.04Å; L110-A161 WeakPolarHBondContact CD2-O 3.27Å; L110-I163 HydrophobicContact CB-CD1 4.29Å; L110-I163 HydrophobicContact CB-CG1 4.38Å; L110-I163 HydrophobicContact CD2-CG1 4.3Å; L110-Y172 HydrophobicContact CD2-CD2 4.33Å; L110-Y172 HydrophobicContact CD2-CE2 4.39Å; L110-I301 HydrophobicContact CB-CG1 4.44Å
111I98.9Very high97.4Very high0 Ų026.9 Ų26.90%014%0.139CC..EExtended strand (participates in β ladder)trans-108.6108.4162.5-53.2177.7000108W67 V90 C99 R100 V101 I108 P113 Y141 V156 P157 F158 G159W67-I111 HydrophobicContact CH2-CD1 3.99Å; V90-I111 HydrophobicContact CG2-CG2 4.18Å; C99-I111 HydrophobicContact CB-CG2 3.81Å; R100-I111 CarbonylContact O-C 3.58Å; R100-I111 WeakPolarHBondContact O-CA 3.21Å; V101-I111 HydrophobicContact CG1-CG1 4.36Å; V101-I111 HydrophobicContact CG2-CG1 4.24Å; V101-I111 HydrophobicContact CG2-CG2 4.19Å; I108-I111 HydrophobicContact CG2-CG1 4.19Å; I111-P113 VanDerWaalsContact O-CD 3.26Å; I111-P113 WeakPolarHBondContact O-CD 3.22Å; I111-Y141 HydrophobicContact CD1-CD1 3.72Å; I111-Y141 HydrophobicContact CD1-CE1 4.08Å; I111-Y141 HydrophobicContact CD1-CG 4.11Å; I111-V156 HydrophobicContact CD1-CG2 3.76Å; I111-V156 HydrophobicContact CG1-CG2 4.12Å; I111-P157 PolarHBondContact N-O 2.8Å; I111-F158 HydrophobicContact CB-CB 4.43Å; I111-F158 HydrophobicContact CB-CD2 3.64Å; I111-F158 HydrophobicContact CB-CE2 4.29Å; I111-F158 HydrophobicContact CB-CG 4.36Å; I111-F158 HydrophobicContact CD1-CD2 4.26Å; I111-F158 HydrophobicContact CG2-CD2 3.41Å; I111-F158 VanDerWaalsContact CG2-CD2 3.41Å; I111-F158 HydrophobicContact CG2-CE2 3.54Å; I111-F158 HydrophobicContact CG2-CG 4.45Å; I111-F158 WeakPolarHBondContact O-CA 3.37Å; I111-G159 PolarHBondContact O-N 3.17Å
112R98.8Very high97.2Very high1 Ų127.4 Ų27.40%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-99.5105.4177.5172.755.7164.550.116.9109.7C99 R100 L110 M115 G159 D160 Y172 E177C99-R112 WeakPolarHBondContact CA-O 3.37Å; R100-R112 PolarHBondContact N-O 3.33Å; R100-R112 PolarHBondContact O-N 3.36Å; L110-R112 HydrophobicContact CD2-CB 4.41Å; L110-R112 HydrophobicContact CG-CB 4.43Å; R112-M115 PolarHBondContact NH2-SD 3.5Å; R112-G159 WeakPolarHBondContact CD-O 3.22Å; R112-D160 IonicContact CZ-OD1 2.81Å; R112-D160 IonicContact NE-OD1 2.93Å; R112-D160 PolarHBondContact NE-OD1 3.45Å; R112-D160 IonicContact NH2-OD1 3.23Å; R112-D160 PolarHBondContact NH2-OD1 3.4Å; R112-Y172 PolarHBondContact NH2-O 2.66Å; R112-E177 IonicContact CZ-OE1 3.81Å; R112-E177 IonicContact CZ-OE2 3.94Å; R112-E177 IonicContact NH1-OE1 3.64Å; R112-E177 PolarHBondContact NH1-OE1 2.92Å; R112-E177 IonicContact NH1-OE2 2.71Å; R112-E177 PolarHBondContact NH1-OE2 2.87Å; R112-E177 IonicContact NH2-OE1 2.81Å; R112-E177 IonicContact NH2-OE2 3.46Å; R112-E177 PolarHBondContact NH2-OE2 3.32Å
113P98.8Very high97.1Very high0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-71.4151.6170.431.6-38.3000112.5Y97 N98 C99 I111 W132 F158Y97-P113 HydrophobicContact CD1-CB 3.72Å; Y97-P113 HydrophobicContact CG-CB 3.89Å; N98-P113 CarbonylContact O-C 3.34Å; N98-P113 WeakPolarHBondContact O-CA 3.42Å; C99-P113 VanDerWaalsContact SG-CA 3.56Å; I111-P113 VanDerWaalsContact O-CD 3.26Å; I111-P113 WeakPolarHBondContact O-CD 3.22Å; P113-W132 HydrophobicContact CB-CB 3.88Å; P113-W132 HydrophobicContact CB-CG 4.4Å; P113-W132 HydrophobicContact CG-CB 3.48Å; P113-W132 VanDerWaalsContact CG-CB 3.48Å; P113-W132 HydrophobicContact CG-CD2 3.69Å; P113-W132 HydrophobicContact CG-CE3 4Å; P113-W132 HydrophobicContact CG-CG 3.48Å; P113-W132 VanDerWaalsContact CG-CG 3.48Å; P113-F158 HydrophobicContact CB-CE1 4.08Å; P113-F158 HydrophobicContact CB-CZ 3.88Å; P113-F158 HydrophobicContact CG-CD1 4.27Å; P113-F158 HydrophobicContact CG-CE1 3.65Å; P113-F158 HydrophobicContact CG-CZ 3.93Å
114K98.7Very high97Very high0 Ų030.7 Ų30.70%015%0.154CC..  trans-68.1135.3175.2-170.3169-170.9179.20111.4E45 N98 A116 M117 E125 W132 I174 E177E45-K114 WeakPolarHBondContact OE1-CD 3.35Å; E45-K114 WeakPolarHBondContact OE1-CE 3.39Å; E45-K114 IonicContact OE1-NZ 2.66Å; E45-K114 PolarHBondContact OE1-NZ 2.85Å; E45-K114 IonicContact OE2-NZ 3.33Å; N98-K114 HydrophobicContact CB-CB 4.29Å; N98-K114 WeakPolarHBondContact O-CB 3.49Å; N98-K114 PolarHBondContact O-N 3.42Å; K114-A116 WeakPolarHBondContact CE-O 3.14Å; K114-A116 VanDerWaalsContact CG-O 3.29Å; K114-A116 WeakPolarHBondContact CG-O 3.33Å; K114-M117 HydrophobicContact CB-CE 3.89Å; K114-M117 HydrophobicContact CB-SD 4.44Å; K114-M117 HydrophobicContact CD-SD 3.98Å; K114-M117 HydrophobicContact CG-CE 4.24Å; K114-M117 HydrophobicContact CG-SD 4.19Å; K114-E125 VanDerWaalsContact CE-OE2 3.32Å; K114-E125 WeakPolarHBondContact CE-OE2 3.46Å; K114-E125 IonicContact NZ-OE1 2.91Å; K114-E125 PolarHBondContact NZ-OE1 3Å; K114-E125 IonicContact NZ-OE2 2.72Å; K114-E125 PolarHBondContact NZ-OE2 3.36Å; K114-W132 PolarHBondContact O-N 3.22Å; K114-I174 HydrophobicContact CB-CB 4.4Å; K114-I174 HydrophobicContact CB-CD1 4.05Å; K114-I174 HydrophobicContact CB-CG2 4.47Å; K114-I174 HydrophobicContact CD-CB 4.24Å; K114-I174 HydrophobicContact CD-CG2 3.84Å; K114-I174 WeakPolarHBondContact CE-O 3.09Å; K114-I174 HydrophobicContact CG-CB 4.06Å; K114-I174 HydrophobicContact CG-CG2 4.19Å; K114-E177 WeakPolarHBondContact CA-OE1 3.46Å
115M98Very high97Very high23 Ų2329.7 Ų29.711%0.11315%0.15CC..SBendtrans-107.7-14.8-173.5-62.5-17484.800114R112 W132 A135 D160 E177 K184R112-M115 PolarHBondContact NH2-SD 3.5Å; M115-W132 WeakPolarHBondContact CE-O 3.16Å; M115-W132 HydrophobicContact CG-CB 4.16Å; M115-A135 HydrophobicContact CE-CB 3.75Å; M115-D160 HydrophobicContact CE-CB 4.21Å; M115-D160 HydrophobicContact SD-CB 4.07Å; M115-E177 PolarHBondContact N-OE1 2.88Å; M115-K184 HydrophobicContact SD-CD 4.25Å
116A97.1Very high97.1Very high15 Ų1530.6 Ų30.612%0.12416%0.161CC..SBendtrans-133.2121.7172.500000108K114 E177K114-A116 WeakPolarHBondContact CE-O 3.14Å; K114-A116 VanDerWaalsContact CG-O 3.29Å; K114-A116 WeakPolarHBondContact CG-O 3.33Å; A116-E177 HydrophobicContact CB-CG 3.98Å
117M96.8Very high97.1Very high29 Ų2931.2 Ų31.214%0.14316%0.163CC..  trans-94.7146.1-178.2-68.1-61.2169.800110.5K114 E125 F129 T130 A131K114-M117 HydrophobicContact CB-CE 3.89Å; K114-M117 HydrophobicContact CB-SD 4.44Å; K114-M117 HydrophobicContact CD-SD 3.98Å; K114-M117 HydrophobicContact CG-CE 4.24Å; K114-M117 HydrophobicContact CG-SD 4.19Å; M117-E125 WeakPolarHBondContact CA-OE2 3.38Å; M117-E125 HydrophobicContact CB-CB 4.04Å; M117-E125 HydrophobicContact CG-CB 4.36Å; M117-E125 HydrophobicContact SD-CB 3.8Å; M117-F129 HydrophobicContact CE-CB 3.63Å; M117-F129 HydrophobicContact SD-CB 4.05Å; M117-T130 VanDerWaalsContact CE-O 3.31Å; M117-T130 WeakPolarHBondContact CE-O 3.39Å; M117-A131 HydrophobicContact CG-CB 4.2Å
118C95.2Very high97.1Very high5 Ų529.1 Ų29.13%0.03415%0.152CC..  trans-94.7119.6175.6-1550000110.3Y123 R124 E125 E176C118-Y123 HydrophobicContact CB-CD2 4.28Å; C118-Y123 HydrophobicContact CB-CG 4.05Å; C118-Y123 WeakPolarHBondContact O-CB 3.34Å; C118-Y123 WeakPolarHBondContact SG-CD2 3.42Å; C118-R124 PolarHBondContact O-N 3.29Å; C118-E125 PolarHBondContact N-OE2 3.48Å; C118-E125 WeakPolarHBondContact O-CG 3.3Å; C118-E125 PolarHBondContact O-N 3.42Å; C118-E176 HydrophobicContact CB-CB 4.06Å; C118-E176 HydrophobicContact CB-CG 4.15Å; C118-E176 PolarHBondContact SG-OE2 3.31Å
119D95.5Very high97.1Very high78 Ų7829.2 Ų29.242%0.41715%0.152SC..  trans-134.521.9-172.7-71.7-68.9000112.5R124 E125 S126D119-R124 VanDerWaalsContact OD1-CA 3.27Å; D119-R124 WeakPolarHBondContact OD1-CA 3.46Å; D119-E125 PolarHBondContact OD1-N 3.23Å; D119-E125 VanDerWaalsContact OD1-N 3.11Å; D119-S126 VanDerWaalsContact OD1-CB 3.26Å; D119-S126 WeakPolarHBondContact OD1-CB 3.38Å; D119-S126 PolarHBondContact OD1-N 3.15Å; D119-S126 PolarHBondContact OD1-OG 2.95Å; D119-S126 WeakPolarHBondContact OD2-CB 3.07Å; D119-S126 PolarHBondContact OD2-OG 3.11Å
120D92Very high97.1Very high110 Ų11031.6 Ų31.659%0.58817%0.168SC*.SBendtrans-114.5170.2176.698.4-37.2000112.5N122 Y123D120-N122 PolarHBondContact O-N 3.5Å; D120-N122 VanDerWaalsContact O-N 3.11Å; D120-Y123 WeakPolarHBondContact O-CA 3.48Å; D120-Y123 WeakPolarHBondContact O-CB 3.29Å; D120-Y123 WeakPolarHBondContact O-CD2 3.38Å; D120-Y123 PolarHBondContact O-N 3.44Å
121G93.9Very high97.1Very high21 Ų2133.1 Ų33.122%0.21618%0.181CC..THydrogen-bonded Turntrans55.5-118.4178.300000113.2F670G121-F670 VanDerWaalsContact C-CD2 3.45Å; G121-F670 VanDerWaalsContact CA-CD2 3.49Å; G121-F670 WeakPolarHBondContact O-CA 3.3Å
122N95.6Very high97.1Very high11 Ų1133.3 Ų33.36%0.05918%0.181CC..THydrogen-bonded Turntrans-84.7-25.1173.6-65.5-79.3000112.8D120 R124 Y203 R239 V240 H659 R669D120-N122 PolarHBondContact O-N 3.5Å; D120-N122 VanDerWaalsContact O-N 3.11Å; N122-R124 PolarHBondContact O-NE 3.06Å; N122-R124 PolarHBondContact O-NH2 3.49Å; N122-R124 VanDerWaalsContact O-NH2 3.09Å; N122-Y203 HydrophobicContact CB-CE1 3.76Å; N122-Y203 PolarHBondContact N-OH 3.43Å; N122-Y203 PolarHBondContact ND2-OH 3Å; N122-Y203 VanDerWaalsContact ND2-OH 3.08Å; N122-R239 PolarHBondContact OD1-NE 2.9Å; N122-R239 PolarHBondContact OD1-NH2 3.02Å; N122-V240 HydrophobicContact CB-CG1 4.45Å; N122-H659 PolarHBondContact ND2-CE1 3.02Å; N122-H659 PolarHBondContact ND2-ND1 2.72Å; N122-R669 HydrophobicContact CB-CB 4.42Å; N122-R669 WeakPolarHBondContact OD1-CB 3.44Å
123Y96.4Very high97Very high30 Ų3039 Ų3912%0.11822%0.216CC..  trans-66.4164.4-176.4-48.8-73.4000112.1Y51 C118 D120 G201 Y203Y51-Y123 HydrophobicContact CE1-CD1 4.04Å; Y51-Y123 HydrophobicContact CE1-CE1 4.18Å; Y51-Y123 WeakPolarHBondContact OH-CD1 3.44Å; C118-Y123 HydrophobicContact CB-CD2 4.28Å; C118-Y123 HydrophobicContact CB-CG 4.05Å; C118-Y123 WeakPolarHBondContact O-CB 3.34Å; C118-Y123 WeakPolarHBondContact SG-CD2 3.42Å; D120-Y123 WeakPolarHBondContact O-CA 3.48Å; D120-Y123 WeakPolarHBondContact O-CB 3.29Å; D120-Y123 WeakPolarHBondContact O-CD2 3.38Å; D120-Y123 PolarHBondContact O-N 3.44Å; Y123-G201 PolarHBondContact OH-O 2.78Å; Y123-Y203 HydrophobicContact CD1-CE1 4.24Å; Y123-Y203 AromaticContact CD2-CE1 3.94Å; Y123-Y203 HydrophobicContact CD2-CE1 3.94Å; Y123-Y203 AromaticContact CE1-CD1 3.72Å; Y123-Y203 HydrophobicContact CE1-CD1 3.72Å; Y123-Y203 AromaticContact CE1-CE1 3.69Å; Y123-Y203 HydrophobicContact CE1-CE1 3.69Å; Y123-Y203 HydrophobicContact CE2-CD1 4.06Å; Y123-Y203 AromaticContact CE2-CE1 3.35Å; Y123-Y203 HydrophobicContact CE2-CE1 3.35Å; Y123-Y203 AromaticContact CE2-CZ 3.95Å; Y123-Y203 HydrophobicContact CG-CE1 4.36Å; Y123-Y203 AromaticContact CZ-CD1 3.43Å; Y123-Y203 VanDerWaalsContact CZ-CD1 3.43Å; Y123-Y203 AromaticContact CZ-CE1 3.22Å; Y123-Y203 VanDerWaalsContact OH-CD1 3.26Å; Y123-Y203 WeakPolarHBondContact OH-CD1 3.47Å; Y123-Y203 WeakPolarHBondContact OH-CE1 3.3Å
124R96.1Very high96.9Very high41 Ų4142 Ų4216%0.15523%0.23CC..  trans-175.436-17659.3-152.959.5-136.2-22.9111.8C118 D119 N122 S126 R127 W128 R669 H672C118-R124 PolarHBondContact O-N 3.29Å; D119-R124 VanDerWaalsContact OD1-CA 3.27Å; D119-R124 WeakPolarHBondContact OD1-CA 3.46Å; N122-R124 PolarHBondContact O-NE 3.06Å; N122-R124 PolarHBondContact O-NH2 3.49Å; N122-R124 VanDerWaalsContact O-NH2 3.09Å; R124-S126 PolarHBondContact O-N 2.7Å; R124-S126 VanDerWaalsContact O-N 3.09Å; R124-R127 HydrophobicContact CG-CB 4.47Å; R124-R127 WeakPolarHBondContact O-CB 3.34Å; R124-R127 PolarHBondContact O-N 3.43Å; R124-W128 HydrophobicContact CG-CH2 3.22Å; R124-W128 HydrophobicContact CG-CZ2 3.64Å; R124-W128 HydrophobicContact CG-CZ3 3.78Å; R124-R669 VanDerWaalsContact CZ-CD 3.43Å; R124-R669 PolarHBondContact NH2-O 3.23Å; R124-H672 PolarHBondContact NH1-CE1 2.93Å; R124-H672 VanDerWaalsContact NH1-CE1 3.29Å
125E97.9Very high96.8Very high2 Ų244 Ų441%0.00925%0.245CC..G310 helixtrans-56.6-31-168.2-67.6-179.3152.900113.4Y51 K114 M117 C118 D119 R127 W128 F129Y51-E125 WeakPolarHBondContact CE2-OE1 3.42Å; Y51-E125 WeakPolarHBondContact OH-CG 3.21Å; Y51-E125 PolarHBondContact OH-OE1 3.01Å; K114-E125 VanDerWaalsContact CE-OE2 3.32Å; K114-E125 WeakPolarHBondContact CE-OE2 3.46Å; K114-E125 IonicContact NZ-OE1 2.91Å; K114-E125 PolarHBondContact NZ-OE1 3Å; K114-E125 IonicContact NZ-OE2 2.72Å; K114-E125 PolarHBondContact NZ-OE2 3.36Å; M117-E125 WeakPolarHBondContact CA-OE2 3.38Å; M117-E125 HydrophobicContact CB-CB 4.04Å; M117-E125 HydrophobicContact CG-CB 4.36Å; M117-E125 HydrophobicContact SD-CB 3.8Å; C118-E125 PolarHBondContact N-OE2 3.48Å; C118-E125 WeakPolarHBondContact O-CG 3.3Å; C118-E125 PolarHBondContact O-N 3.42Å; D119-E125 PolarHBondContact OD1-N 3.23Å; D119-E125 VanDerWaalsContact OD1-N 3.11Å; E125-R127 PolarHBondContact O-N 2.9Å; E125-R127 VanDerWaalsContact O-N 3.08Å; E125-W128 PolarHBondContact O-N 2.83Å; E125-F129 PolarHBondContact O-N 3.18Å
126S97.9Very high96.7Very high77 Ų7745.2 Ų45.254%0.53825%0.252SS..G310 helixtrans-61.1-14.9174.766.50000114.7D119 R124 W128D119-S126 VanDerWaalsContact OD1-CB 3.26Å; D119-S126 WeakPolarHBondContact OD1-CB 3.38Å; D119-S126 PolarHBondContact OD1-N 3.15Å; D119-S126 PolarHBondContact OD1-OG 2.95Å; D119-S126 WeakPolarHBondContact OD2-CB 3.07Å; D119-S126 PolarHBondContact OD2-OG 3.11Å; R124-S126 PolarHBondContact O-N 2.7Å; R124-S126 VanDerWaalsContact O-N 3.09Å; S126-W128 PolarHBondContact O-N 3.38Å
127R97.9Very high96.8Very high115 Ų11549.7 Ų49.743%0.43427%0.27SS..G310 helixtrans-67.5-22.9173.1-173.7178.2171.384.53.4112.8D55 R58 R124 E125D55-R127 IonicContact OD1-CZ 3.4Å; D55-R127 IonicContact OD1-NE 3.23Å; D55-R127 PolarHBondContact OD1-NE 2.96Å; D55-R127 IonicContact OD1-NH2 2.75Å; D55-R127 PolarHBondContact OD1-NH2 2.88Å; D55-R127 IonicContact OD2-CZ 3.76Å; D55-R127 IonicContact OD2-NE 3.93Å; D55-R127 IonicContact OD2-NH2 2.85Å; D55-R127 PolarHBondContact OD2-NH2 3.5Å; R58-R127 PolarHBondContact NE-O 2.91Å; R58-R127 PolarHBondContact NH2-O 3.19Å; R124-R127 HydrophobicContact CG-CB 4.47Å; R124-R127 WeakPolarHBondContact O-CB 3.34Å; R124-R127 PolarHBondContact O-N 3.43Å; E125-R127 PolarHBondContact O-N 2.9Å; E125-R127 VanDerWaalsContact O-N 3.08Å
128W97.9Very high96.9Very high28 Ų2850.8 Ų50.811%0.10628%0.279CS..THydrogen-bonded Turntrans-129.6-37.4-170.7-46.1-60.6000113E54 D55 F57 A96 R124 E125 S126E54-W128 VanDerWaalsContact C-CE2 3.41Å; E54-W128 VanDerWaalsContact C-NE1 3.26Å; E54-W128 HydrophobicContact CB-CH2 3.97Å; E54-W128 HydrophobicContact CB-CZ2 3.5Å; E54-W128 HydrophobicContact CG-CH2 3.72Å; E54-W128 HydrophobicContact CG-CZ2 3.74Å; E54-W128 PolarHBondContact O-NE1 2.81Å; D55-W128 PolarHBondContact OD1-NE1 3.09Å; F57-W128 HydrophobicContact CB-CB 3.77Å; F57-W128 HydrophobicContact CB-CG 4.08Å; F57-W128 HydrophobicContact CD2-CB 4.27Å; F57-W128 HydrophobicContact CD2-CD2 4.09Å; F57-W128 HydrophobicContact CD2-CE3 4.05Å; F57-W128 HydrophobicContact CD2-CG 4.17Å; F57-W128 HydrophobicContact CE2-CE3 4.5Å; F57-W128 HydrophobicContact CG-CB 4.45Å; A96-W128 WeakPolarHBondContact CB-O 3.47Å; R124-W128 HydrophobicContact CG-CH2 3.22Å; R124-W128 HydrophobicContact CG-CZ2 3.64Å; R124-W128 HydrophobicContact CG-CZ3 3.78Å; E125-W128 PolarHBondContact O-N 2.83Å; S126-W128 PolarHBondContact O-N 3.38Å
129F98.7Very high97Very high5 Ų552.4 Ų52.42%0.02229%0.286CS..  trans-116.2152.3-174-57.8-62.5000112.3L46 F57 P89 A96 Y97 N98 M117 E125L46-F129 HydrophobicContact CD1-CE2 3.86Å; L46-F129 HydrophobicContact CD1-CZ 4.03Å; L46-F129 HydrophobicContact CD2-CZ 4.33Å; F57-F129 HydrophobicContact CB-CE1 4.47Å; F57-F129 HydrophobicContact CB-CZ 4.16Å; F57-F129 HydrophobicContact CD1-CE1 4.31Å; F57-F129 HydrophobicContact CD1-CE2 4.48Å; F57-F129 AromaticContact CD1-CZ 3.62Å; F57-F129 HydrophobicContact CD1-CZ 3.62Å; F57-F129 AromaticContact CD2-CE2 3.82Å; F57-F129 HydrophobicContact CD2-CE2 3.82Å; F57-F129 AromaticContact CD2-CZ 3.75Å; F57-F129 HydrophobicContact CD2-CZ 3.75Å; F57-F129 AromaticContact CE1-CZ 3.85Å; F57-F129 HydrophobicContact CE1-CZ 3.85Å; F57-F129 AromaticContact CE2-CE2 3.91Å; F57-F129 HydrophobicContact CE2-CE2 3.91Å; F57-F129 AromaticContact CE2-CZ 3.96Å; F57-F129 HydrophobicContact CE2-CZ 3.96Å; F57-F129 HydrophobicContact CG-CE1 4.31Å; F57-F129 HydrophobicContact CG-CE2 4.13Å; F57-F129 AromaticContact CG-CZ 3.59Å; F57-F129 HydrophobicContact CG-CZ 3.59Å; F57-F129 HydrophobicContact CZ-CE2 4.3Å; F57-F129 HydrophobicContact CZ-CZ 4.02Å; P89-F129 HydrophobicContact CB-CE1 3.82Å; P89-F129 HydrophobicContact CB-CZ 4.16Å; A96-F129 HydrophobicContact CB-CD1 4.29Å; A96-F129 WeakPolarHBondContact O-CA 3.44Å; Y97-F129 VanDerWaalsContact C-CD1 3.43Å; N98-F129 HydrophobicContact CB-CD1 4.15Å; N98-F129 HydrophobicContact CB-CD2 3.89Å; N98-F129 HydrophobicContact CB-CE1 4.3Å; N98-F129 HydrophobicContact CB-CE2 4.05Å; N98-F129 HydrophobicContact CB-CG 3.93Å; N98-F129 HydrophobicContact CB-CZ 4.24Å; M117-F129 HydrophobicContact CE-CB 3.63Å; M117-F129 HydrophobicContact SD-CB 4.05Å; E125-F129 PolarHBondContact O-N 3.18Å
130T98.6Very high97.2Very high72 Ų7254.9 Ų54.944%0.44230%0.295SS..  trans-106136.9172.4-59.10000110V95 A96 Y97 M117V95-T130 VanDerWaalsContact CG1-CB 3.45Å; V95-T130 HydrophobicContact CG1-CG2 3.95Å; V95-T130 WeakPolarHBondContact CG1-OG1 3.24Å; A96-T130 PolarHBondContact O-N 2.95Å; Y97-T130 WeakPolarHBondContact CD1-O 3.36Å; Y97-T130 WeakPolarHBondContact CE1-O 3.26Å; M117-T130 VanDerWaalsContact CE-O 3.31Å; M117-T130 WeakPolarHBondContact CE-O 3.39Å
131A98.4Very high97.5Very high33 Ų3350.5 Ų50.527%0.27327%0.271SS..  trans-66.5137.5173.700000111.4M117 T133M117-A131 HydrophobicContact CG-CB 4.2Å; A131-T133 PolarHBondContact O-N 3.17Å
132W98.4Very high97.7Very high4 Ų454.8 Ų54.82%0.01529%0.292CS..  trans-74.6113.6172.8-180-102.2000111.5Y97 P113 K114 M115 K134 E139 F158Y97-W132 HydrophobicContact CD1-CB 4.47Å; Y97-W132 HydrophobicContact CE1-CB 4.26Å; Y97-W132 AromaticContact CE1-CE3 3.92Å; Y97-W132 HydrophobicContact CE1-CE3 3.92Å; Y97-W132 AromaticContact CZ-CE3 3.9Å; P113-W132 HydrophobicContact CB-CB 3.88Å; P113-W132 HydrophobicContact CB-CG 4.4Å; P113-W132 HydrophobicContact CG-CB 3.48Å; P113-W132 VanDerWaalsContact CG-CB 3.48Å; P113-W132 HydrophobicContact CG-CD2 3.69Å; P113-W132 HydrophobicContact CG-CE3 4Å; P113-W132 HydrophobicContact CG-CG 3.48Å; P113-W132 VanDerWaalsContact CG-CG 3.48Å; K114-W132 PolarHBondContact O-N 3.22Å; M115-W132 WeakPolarHBondContact CE-O 3.16Å; M115-W132 HydrophobicContact CG-CB 4.16Å; W132-K134 HydrophobicContact CH2-CD 3.81Å; W132-K134 HydrophobicContact CZ2-CB 3.76Å; W132-K134 HydrophobicContact CZ2-CD 3.86Å; W132-K134 HydrophobicContact CZ2-CG 4.23Å; W132-K134 HydrophobicContact CZ3-CD 4.37Å; W132-K134 PolarHBondContact NE1-O 3.5Å; W132-E139 HydrophobicContact CH2-CG 4.09Å; W132-F158 HydrophobicContact CE3-CD1 4.31Å; W132-F158 AromaticContact CE3-CE1 3.79Å; W132-F158 HydrophobicContact CE3-CE1 3.79Å; W132-F158 AromaticContact CH2-CD1 3.96Å; W132-F158 HydrophobicContact CH2-CD1 3.96Å; W132-F158 HydrophobicContact CH2-CE1 4.24Å; W132-F158 AromaticContact CZ3-CD1 3.81Å; W132-F158 HydrophobicContact CZ3-CD1 3.81Å; W132-F158 AromaticContact CZ3-CE1 3.61Å; W132-F158 HydrophobicContact CZ3-CE1 3.61Å
133T97.5Very high97.9Very high120 Ų12054.7 Ų54.774%0.73629%0.291SS*.  trans-94.2-11.6-172.651.70000114.6A131 A135A131-T133 PolarHBondContact O-N 3.17Å; T133-A135 PolarHBondContact O-N 3.25Å; T133-A135 VanDerWaalsContact O-N 3.15Å
134K97.5Very high97.9Very high64 Ų6454.9 Ų54.928%0.27830%0.297SS..  trans-90.173.5-177.2-52174-168.4164.30110W132 Q137 E139W132-K134 HydrophobicContact CH2-CD 3.81Å; W132-K134 HydrophobicContact CZ2-CB 3.76Å; W132-K134 HydrophobicContact CZ2-CD 3.86Å; W132-K134 HydrophobicContact CZ2-CG 4.23Å; W132-K134 HydrophobicContact CZ3-CD 4.37Å; W132-K134 PolarHBondContact NE1-O 3.5Å; K134-Q137 HydrophobicContact CB-CB 4Å; K134-Q137 PolarHBondContact O-N 3.12Å; K134-E139 IonicContact NZ-OE1 3.38Å; K134-E139 PolarHBondContact NZ-OE1 2.74Å; K134-E139 IonicContact NZ-OE2 3.58Å; K134-E139 PolarHBondContact NZ-OE2 3.47Å
135A95.9Very high98Very high40 Ų4062 Ų6233%0.33132%0.324SS..THydrogen-bonded Turntrans-58.7144177.500000111.8M115 T133 Q137M115-A135 HydrophobicContact CE-CB 3.75Å; T133-A135 PolarHBondContact O-N 3.25Å; T133-A135 VanDerWaalsContact O-N 3.15Å; A135-Q137 PolarHBondContact O-N 3.47Å; A135-Q137 VanDerWaalsContact O-N 3.17Å; A135-Q137 PolarHBondContact O-NE2 2.87Å
136L96.4Very high98Very high49 Ų4964.1 Ų64.126%0.25733%0.334SS..THydrogen-bonded Turntrans54.725.4-177.2-47.1-179.8000114.4D160 A296 Y298 P299L136-D160 PolarHBondContact N-OD2 2.98Å; L136-A296 HydrophobicContact CD1-CB 3.48Å; L136-A296 VanDerWaalsContact CD1-CB 3.48Å; L136-Y298 HydrophobicContact CD2-CD1 3.76Å; L136-Y298 HydrophobicContact CD2-CD2 3.55Å; L136-Y298 HydrophobicContact CD2-CE1 3.57Å; L136-Y298 HydrophobicContact CD2-CE2 3.37Å; L136-Y298 HydrophobicContact CD2-CG 3.76Å; L136-P299 WeakPolarHBondContact O-CD 3.42Å; L136-P299 VanDerWaalsContact O-CG 3.27Å; L136-P299 WeakPolarHBondContact O-CG 3.25Å
137Q98Very high98.1Very high109 Ų10960.5 Ų60.551%0.50931%0.308SS..  trans-136.2144.3-175.7-73.11646700111.4K134 A135 D160K134-Q137 HydrophobicContact CB-CB 4Å; K134-Q137 PolarHBondContact O-N 3.12Å; A135-Q137 PolarHBondContact O-N 3.47Å; A135-Q137 VanDerWaalsContact O-N 3.17Å; A135-Q137 PolarHBondContact O-NE2 2.87Å; Q137-D160 PolarHBondContact O-N 2.74Å
138T98.5Very high98.1Very high53 Ų5355.5 Ų55.533%0.32529%0.292SS..EExtended strand (participates in β ladder)trans-120.5154.8170.450.90000111.1P157 F158 A161 P299T138-P157 HydrophobicContact CG2-CB 4.3Å; T138-F158 CarbonylContact C-O 3.54Å; T138-F158 VanDerWaalsContact CA-O 3.26Å; T138-F158 WeakPolarHBondContact CA-O 3.4Å; T138-A161 HydrophobicContact CG2-CB 3.61Å; T138-P299 HydrophobicContact CG2-CB 4.47Å
139E98.6Very high98Very high39 Ų3960.2 Ų60.218%0.18232%0.315CS..EExtended strand (participates in β ladder)trans-120.1160.2165.6-63.8-175.3133.100109.4H92 R93 W132 K134 Y141 F158H92-E139 IonicContact CD2-OE2 3.56Å; H92-E139 IonicContact CE1-OE2 2.82Å; H92-E139 IonicContact NE2-OE2 3.54Å; H92-E139 PolarHBondContact NE2-OE2 2.94Å; R93-E139 VanDerWaalsContact CZ-CD 3.45Å; R93-E139 IonicContact CZ-OE1 3.37Å; R93-E139 IonicContact CZ-OE2 3.44Å; R93-E139 IonicContact NE-OE2 3.96Å; R93-E139 IonicContact NH1-OE1 2.7Å; R93-E139 PolarHBondContact NH1-OE1 2.9Å; R93-E139 IonicContact NH1-OE2 3.3Å; R93-E139 PolarHBondContact NH1-OE2 3.48Å; R93-E139 IonicContact NH2-OE1 3.46Å; R93-E139 PolarHBondContact NH2-OE1 3.21Å; R93-E139 IonicContact NH2-OE2 3.73Å; W132-E139 HydrophobicContact CH2-CG 4.09Å; K134-E139 IonicContact NZ-OE1 3.38Å; K134-E139 PolarHBondContact NZ-OE1 2.74Å; K134-E139 IonicContact NZ-OE2 3.58Å; K134-E139 PolarHBondContact NZ-OE2 3.47Å; E139-Y141 PolarHBondContact O-N 3.13Å; E139-F158 PolarHBondContact N-O 3.41Å; E139-F158 PolarHBondContact O-N 3.31Å
140E98.4Very high98Very high129 Ų12965.4 Ų65.460%0.60334%0.339SS*.EExtended strand (participates in β ladder)trans-71.2128.1167-68-168.397.100110.6T155E140-T155 HydrophobicContact CB-CG2 4.05Å; E140-T155 VanDerWaalsContact OE1-CB 3.25Å; E140-T155 WeakPolarHBondContact OE1-CB 3.44Å; E140-T155 WeakPolarHBondContact OE1-CG2 3.41Å; E140-T155 PolarHBondContact OE1-OG1 2.72Å
141Y98.7Very high97.9Very high19 Ų1962.6 Ų62.68%0.07532%0.322CS..EExtended strand (participates in β ladder)trans-102.4120.5168.2-179.5-91.4000109.5W67 V90 M91 H92 I111 E139 L143 T155 V156 F158W67-Y141 AromaticContact CH2-CE1 3.82Å; W67-Y141 HydrophobicContact CH2-CE1 3.82Å; W67-Y141 AromaticContact CZ2-CE1 3.59Å; W67-Y141 HydrophobicContact CZ2-CE1 3.59Å; W67-Y141 AromaticContact CZ2-CZ 3.79Å; W67-Y141 WeakPolarHBondContact CZ2-OH 3.34Å; V90-Y141 HydrophobicContact CG1-CD2 4.36Å; V90-Y141 HydrophobicContact CG1-CE1 4.42Å; V90-Y141 HydrophobicContact CG1-CE2 3.56Å; M91-Y141 WeakPolarHBondContact O-CE2 3.46Å; M91-Y141 PolarHBondContact O-OH 2.99Å; H92-Y141 HydrophobicContact CB-CD2 3.86Å; H92-Y141 HydrophobicContact CB-CE2 3.95Å; H92-Y141 AromaticContact CG-CD2 3.97Å; H92-Y141 AromaticContact ND1-CD2 3.5Å; I111-Y141 HydrophobicContact CD1-CD1 3.72Å; I111-Y141 HydrophobicContact CD1-CE1 4.08Å; I111-Y141 HydrophobicContact CD1-CG 4.11Å; E139-Y141 PolarHBondContact O-N 3.13Å; Y141-L143 HydrophobicContact CD1-CD2 4.11Å; Y141-L143 HydrophobicContact CE1-CD2 4.22Å; Y141-L143 PolarHBondContact O-N 2.88Å; Y141-T155 CarbonylContact O-C 3.33Å; Y141-T155 WeakPolarHBondContact O-CA 3.49Å; Y141-V156 HydrophobicContact CD1-CG2 4.14Å; Y141-V156 PolarHBondContact N-O 2.7Å; Y141-V156 PolarHBondContact O-N 2.73Å; Y141-F158 AromaticContact CD2-CD2 3.8Å; Y141-F158 HydrophobicContact CD2-CD2 3.8Å; Y141-F158 HydrophobicContact CD2-CE2 4.33Å; Y141-F158 HydrophobicContact CD2-CG 4.36Å; Y141-F158 HydrophobicContact CG-CB 4.44Å; Y141-F158 HydrophobicContact CG-CD2 4.16Å
142V98.6Very high97.8Very high110 Ų11063.6 Ų63.667%0.66734%0.336SS*.EExtended strand (participates in β ladder)trans-75.9119.3175.5-178.90000108.5T155V142-T155 HydrophobicContact CG2-CG2 4.12Å
143L98.6Very high97.8Very high9 Ų965.1 Ų65.15%0.04734%0.343CS..PPolyproline II helixtrans-70.1147.4-176.4-75.1173.6000112.1W67 I108 Y141 R145 I147 A148 Q153 Q154 V156W67-L143 HydrophobicContact CH2-CD2 3.9Å; W67-L143 HydrophobicContact CZ3-CD2 4.07Å; I108-L143 HydrophobicContact CD1-CD2 3.84Å; Y141-L143 HydrophobicContact CD1-CD2 4.11Å; Y141-L143 HydrophobicContact CE1-CD2 4.22Å; Y141-L143 PolarHBondContact O-N 2.88Å; L143-R145 PolarHBondContact O-N 3.06Å; L143-I147 HydrophobicContact CB-CB 4.4Å; L143-I147 HydrophobicContact CD1-CG2 3.99Å; L143-I147 HydrophobicContact CD2-CG2 4.26Å; L143-A148 HydrophobicContact CB-CB 4.4Å; L143-Q153 HydrophobicContact CD1-CB 3.7Å; L143-Q154 PolarHBondContact N-O 3.04Å; L143-V156 HydrophobicContact CD1-CG1 3.77Å; L143-V156 HydrophobicContact CD2-CG1 4.34Å; L143-V156 HydrophobicContact CD2-CG2 3.82Å; L143-V156 HydrophobicContact CG-CG1 4.15Å; L143-V156 HydrophobicContact CG-CG2 4.15Å
144P98.3Very high97.8Very high35 Ų3565.7 Ų65.723%0.22734%0.337CS..PPolyproline II helixtrans-55.2140.8168.5-24.734.4000110.8W67 M146 I147 A148W67-P144 HydrophobicContact CD2-CG 3.66Å; W67-P144 HydrophobicContact CE3-CG 4.11Å; W67-P144 HydrophobicContact CG-CG 3.91Å; W67-P144 HydrophobicContact CZ2-CG 4.12Å; P144-M146 HydrophobicContact CB-CG 4.15Å; P144-M146 PolarHBondContact O-N 3.11Å; P144-I147 HydrophobicContact CB-CG1 4.37Å; P144-I147 HydrophobicContact CG-CG1 4.48Å; P144-I147 PolarHBondContact O-N 2.9Å; P144-A148 PolarHBondContact O-N 2.79Å; P144-A148 VanDerWaalsContact O-N 3.11Å
145R98Very high97.9Very high191 Ų19165 Ų6572%0.72134%0.339SS*.Hα-helixtrans-48.5-40.8-175.3177.9-179.5170.9168.53.3113.1L143 I147 A148 Q149L143-R145 PolarHBondContact O-N 3.06Å; R145-I147 VanDerWaalsContact C-N 3.33Å; R145-I147 PolarHBondContact O-N 2.89Å; R145-A148 PolarHBondContact O-N 3.16Å; R145-Q149 HydrophobicContact CG-CG 4.22Å; R145-Q149 WeakPolarHBondContact O-CB 3.34Å; R145-Q149 VanDerWaalsContact O-CG 3.24Å; R145-Q149 WeakPolarHBondContact O-CG 3.27Å; R145-Q149 PolarHBondContact O-N 2.8Å; R145-Q149 PolarHBondContact O-OE1 3.21Å
146M97.8Very high98Very high46 Ų4663.3 Ų63.323%0.22732%0.324CS..Hα-helixtrans-60.5-36.8178.163.1-171-71.600113.7W67 E68 L71 P144 H150W67-M146 HydrophobicContact CB-SD 4.31Å; E68-M146 HydrophobicContact CB-CE 4.29Å; E68-M146 HydrophobicContact CG-CE 3.87Å; L71-M146 HydrophobicContact CB-CE 4.17Å; L71-M146 HydrophobicContact CD2-CB 4.38Å; L71-M146 HydrophobicContact CD2-CE 3.72Å; P144-M146 HydrophobicContact CB-CG 4.15Å; P144-M146 PolarHBondContact O-N 3.11Å; M146-H150 PolarHBondContact O-ND1 2.89Å
147I98.5Very high98.1Very high0 Ų062.7 Ų62.70%032%0.323CS..Hα-helixtrans-74.7-50.8176.3-50.8-58.3000108.9W67 L71 I108 L143 P144 R145 Q149 H150 T151W67-I147 HydrophobicContact CE3-CD1 3.86Å; W67-I147 HydrophobicContact CE3-CG1 3.57Å; W67-I147 HydrophobicContact CZ3-CD1 4.42Å; W67-I147 HydrophobicContact CZ3-CG1 3.88Å; L71-I147 HydrophobicContact CB-CD1 3.83Å; L71-I147 HydrophobicContact CD1-CD1 4.16Å; L71-I147 HydrophobicContact CG-CD1 4.44Å; I108-I147 HydrophobicContact CD1-CG2 3.99Å; L143-I147 HydrophobicContact CB-CB 4.4Å; L143-I147 HydrophobicContact CD1-CG2 3.99Å; L143-I147 HydrophobicContact CD2-CG2 4.26Å; P144-I147 HydrophobicContact CB-CG1 4.37Å; P144-I147 HydrophobicContact CG-CG1 4.48Å; P144-I147 PolarHBondContact O-N 2.9Å; R145-I147 VanDerWaalsContact C-N 3.33Å; R145-I147 PolarHBondContact O-N 2.89Å; I147-Q149 PolarHBondContact O-N 3.19Å; I147-Q149 VanDerWaalsContact O-N 3.14Å; I147-H150 PolarHBondContact O-N 2.85Å; I147-T151 HydrophobicContact CG2-CG2 3.7Å; I147-T151 PolarHBondContact O-N 3.34Å; I147-T151 PolarHBondContact O-OG1 2.66Å
148A98.2Very high98.2Very high11 Ų1157.5 Ų57.59%0.09130%0.299CS..Hα-helixtrans-57.5-31.4-178.700000113.4L143 P144 R145 G152 Q153L143-A148 HydrophobicContact CB-CB 4.4Å; P144-A148 PolarHBondContact O-N 2.79Å; P144-A148 VanDerWaalsContact O-N 3.11Å; R145-A148 PolarHBondContact O-N 3.16Å; A148-G152 VanDerWaalsContact O-CA 3.26Å; A148-G152 WeakPolarHBondContact O-CA 3.34Å; A148-G152 PolarHBondContact O-N 2.84Å; A148-Q153 VanDerWaalsContact CA-O 3.28Å; A148-Q153 WeakPolarHBondContact CA-O 3.43Å; A148-Q153 WeakPolarHBondContact CB-O 3.36Å
149Q97.5Very high98.2Very high126 Ų12655 Ų5559%0.58928%0.283SS*.Hα-helixtrans-71.5-25.8174.8-76.5-179.8-7100114.3R145 I147R145-Q149 HydrophobicContact CG-CG 4.22Å; R145-Q149 WeakPolarHBondContact O-CB 3.34Å; R145-Q149 VanDerWaalsContact O-CG 3.24Å; R145-Q149 WeakPolarHBondContact O-CG 3.27Å; R145-Q149 PolarHBondContact O-N 2.8Å; R145-Q149 PolarHBondContact O-OE1 3.21Å; I147-Q149 PolarHBondContact O-N 3.19Å; I147-Q149 VanDerWaalsContact O-N 3.14Å
150H97.2Very high98.2Very high114 Ų11453.1 Ų53.153%0.52828%0.275SS..Hα-helixtrans-101.1-33.3-178.9-6996000113.3L71 M75 M146 I147L71-H150 HydrophobicContact CD1-CB 3.84Å; M75-H150 HydrophobicContact CE-CB 4.07Å; M75-H150 HydrophobicContact SD-CB 4.1Å; M146-H150 PolarHBondContact O-ND1 2.89Å; I147-H150 PolarHBondContact O-N 2.85Å
151T96.6Very high98.2Very high13 Ų1347 Ų478%0.0825%0.246CC..Hα-helixtrans-91.1-22.3177.972.50000112.8M74 M75 R106 Q107 I147 Q153M74-T151 HydrophobicContact CE-CG2 3.79Å; M75-T151 HydrophobicContact CE-CG2 4.21Å; R106-T151 VanDerWaalsContact O-CG2 3.26Å; R106-T151 WeakPolarHBondContact O-CG2 3.2Å; Q107-T151 PolarHBondContact NE2-O 3.31Å; I147-T151 HydrophobicContact CG2-CG2 3.7Å; I147-T151 PolarHBondContact O-N 3.34Å; I147-T151 PolarHBondContact O-OG1 2.66Å; T151-Q153 PolarHBondContact O-N 3.19Å; T151-Q153 WeakPolarHBondContact OG1-CB 3.29Å; T151-Q153 WeakPolarHBondContact OG1-CG 3.48Å; T151-Q153 PolarHBondContact OG1-N 2.9Å; T151-Q153 VanDerWaalsContact OG1-N 3.15Å; T151-Q153 PolarHBondContact OG1-OE1 3.05Å
152G97.4Very high98.2Very high55 Ų5546.1 Ų46.157%0.56724%0.243SC*.  trans78.3-11.9-170.400000114.3A148 Q154A148-G152 VanDerWaalsContact O-CA 3.26Å; A148-G152 WeakPolarHBondContact O-CA 3.34Å; A148-G152 PolarHBondContact O-N 2.84Å; G152-Q154 PolarHBondContact O-NE2 3Å
153Q98Very high98.2Very high35 Ų3540.9 Ų40.916%0.16421%0.211CC..  trans-74.7129.7-178.3-55175.2-78.200110.5Q107 I108 L143 A148 T151Q107-Q153 VanDerWaalsContact OE1-CD 3.29Å; I108-Q153 PolarHBondContact O-NE2 3.44Å; L143-Q153 HydrophobicContact CD1-CB 3.7Å; A148-Q153 VanDerWaalsContact CA-O 3.28Å; A148-Q153 WeakPolarHBondContact CA-O 3.43Å; A148-Q153 WeakPolarHBondContact CB-O 3.36Å; T151-Q153 PolarHBondContact O-N 3.19Å; T151-Q153 WeakPolarHBondContact OG1-CB 3.29Å; T151-Q153 WeakPolarHBondContact OG1-CG 3.48Å; T151-Q153 PolarHBondContact OG1-N 2.9Å; T151-Q153 VanDerWaalsContact OG1-N 3.15Å; T151-Q153 PolarHBondContact OG1-OE1 3.05Å
154Q98Very high98.2Very high133 Ų13340.8 Ų40.862%0.62121%0.211SC*.SBendtrans-89-41.4174-58-54.2-67.200111.7L143 G152L143-Q154 PolarHBondContact N-O 3.04Å; G152-Q154 PolarHBondContact O-NE2 3Å
155T98.6Very high98.1Very high50 Ų5039.8 Ų39.831%0.30720%0.204SC..EExtended strand (participates in β ladder)trans-128.2155.9178.251.40000111.3E140 Y141 V142E140-T155 HydrophobicContact CB-CG2 4.05Å; E140-T155 VanDerWaalsContact OE1-CB 3.25Å; E140-T155 WeakPolarHBondContact OE1-CB 3.44Å; E140-T155 WeakPolarHBondContact OE1-CG2 3.41Å; E140-T155 PolarHBondContact OE1-OG1 2.72Å; Y141-T155 CarbonylContact O-C 3.33Å; Y141-T155 WeakPolarHBondContact O-CA 3.49Å; V142-T155 HydrophobicContact CG2-CG2 4.12Å
156V98.7Very high98Very high4 Ų437.8 Ų37.82%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-136.9156.9170.4-66.10000111I108 I111 Y141 L143 F158I108-V156 HydrophobicContact CB-CG1 4.02Å; I108-V156 HydrophobicContact CG2-CB 4.23Å; I108-V156 HydrophobicContact CG2-CG1 4.02Å; I108-V156 HydrophobicContact CG2-CG2 4.16Å; I111-V156 HydrophobicContact CD1-CG2 3.76Å; I111-V156 HydrophobicContact CG1-CG2 4.12Å; Y141-V156 HydrophobicContact CD1-CG2 4.14Å; Y141-V156 PolarHBondContact N-O 2.7Å; Y141-V156 PolarHBondContact O-N 2.73Å; L143-V156 HydrophobicContact CD1-CG1 3.77Å; L143-V156 HydrophobicContact CD2-CG1 4.34Å; L143-V156 HydrophobicContact CD2-CG2 3.82Å; L143-V156 HydrophobicContact CG-CG1 4.15Å; L143-V156 HydrophobicContact CG-CG2 4.15Å; V156-F158 PolarHBondContact O-N 3.11Å
157P98.7Very high97.9Very high36 Ų3636.2 Ų36.223%0.23419%0.189CC..EExtended strand (participates in β ladder)trans-62128.7171.7-20.131.9000112L109 L110 I111 T138 I301L109-P157 WeakPolarHBondContact O-CD 3.42Å; L110-P157 HydrophobicContact CD1-CB 4.13Å; I111-P157 PolarHBondContact N-O 2.8Å; T138-P157 HydrophobicContact CG2-CB 4.3Å; P157-I301 HydrophobicContact CB-CD1 3.77Å; P157-I301 HydrophobicContact CB-CG1 4.31Å; P157-I301 HydrophobicContact CG-CD1 3.55Å; P157-I301 HydrophobicContact CG-CG1 4.17Å
158F98.9Very high97.8Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-127.5122.5173.4-178.8-74.4000110V90 H92 Y97 I111 P113 W132 T138 E139 Y141 V156V90-F158 HydrophobicContact CB-CE2 4.27Å; V90-F158 HydrophobicContact CG1-CD2 4.47Å; V90-F158 HydrophobicContact CG1-CE2 3.84Å; H92-F158 HydrophobicContact CB-CD1 4.33Å; H92-F158 HydrophobicContact CB-CD2 4.33Å; H92-F158 HydrophobicContact CB-CE1 3.88Å; H92-F158 HydrophobicContact CB-CE2 3.9Å; H92-F158 HydrophobicContact CB-CZ 3.67Å; H92-F158 AromaticContact CD2-CD1 3.61Å; H92-F158 AromaticContact CD2-CE1 3.6Å; H92-F158 AromaticContact CG-CD1 3.99Å; H92-F158 AromaticContact CG-CE1 3.94Å; Y97-F158 HydrophobicContact CD2-CE1 4.06Å; Y97-F158 AromaticContact CD2-CZ 3.53Å; Y97-F158 HydrophobicContact CD2-CZ 3.53Å; Y97-F158 HydrophobicContact CE2-CE1 4.13Å; Y97-F158 HydrophobicContact CE2-CZ 4.05Å; Y97-F158 HydrophobicContact CG-CE1 4.42Å; Y97-F158 AromaticContact CG-CZ 3.84Å; Y97-F158 HydrophobicContact CG-CZ 3.84Å; I111-F158 HydrophobicContact CB-CB 4.43Å; I111-F158 HydrophobicContact CB-CD2 3.64Å; I111-F158 HydrophobicContact CB-CE2 4.29Å; I111-F158 HydrophobicContact CB-CG 4.36Å; I111-F158 HydrophobicContact CD1-CD2 4.26Å; I111-F158 HydrophobicContact CG2-CD2 3.41Å; I111-F158 VanDerWaalsContact CG2-CD2 3.41Å; I111-F158 HydrophobicContact CG2-CE2 3.54Å; I111-F158 HydrophobicContact CG2-CG 4.45Å; I111-F158 WeakPolarHBondContact O-CA 3.37Å; P113-F158 HydrophobicContact CB-CE1 4.08Å; P113-F158 HydrophobicContact CB-CZ 3.88Å; P113-F158 HydrophobicContact CG-CD1 4.27Å; P113-F158 HydrophobicContact CG-CE1 3.65Å; P113-F158 HydrophobicContact CG-CZ 3.93Å; W132-F158 HydrophobicContact CE3-CD1 4.31Å; W132-F158 AromaticContact CE3-CE1 3.79Å; W132-F158 HydrophobicContact CE3-CE1 3.79Å; W132-F158 AromaticContact CH2-CD1 3.96Å; W132-F158 HydrophobicContact CH2-CD1 3.96Å; W132-F158 HydrophobicContact CH2-CE1 4.24Å; W132-F158 AromaticContact CZ3-CD1 3.81Å; W132-F158 HydrophobicContact CZ3-CD1 3.81Å; W132-F158 AromaticContact CZ3-CE1 3.61Å; W132-F158 HydrophobicContact CZ3-CE1 3.61Å; T138-F158 CarbonylContact C-O 3.54Å; T138-F158 VanDerWaalsContact CA-O 3.26Å; T138-F158 WeakPolarHBondContact CA-O 3.4Å; E139-F158 PolarHBondContact N-O 3.41Å; E139-F158 PolarHBondContact O-N 3.31Å; Y141-F158 AromaticContact CD2-CD2 3.8Å; Y141-F158 HydrophobicContact CD2-CD2 3.8Å; Y141-F158 HydrophobicContact CD2-CE2 4.33Å; Y141-F158 HydrophobicContact CD2-CG 4.36Å; Y141-F158 HydrophobicContact CG-CB 4.44Å; Y141-F158 HydrophobicContact CG-CD2 4.16Å; V156-F158 PolarHBondContact O-N 3.11Å
159G98.7Very high97.8Very high0 Ų036.4 Ų36.40%019%0.19CC..EExtended strand (participates in β ladder)trans139.3-152.4-179.900000113.5I111 R112 A161I111-G159 PolarHBondContact O-N 3.17Å; R112-G159 WeakPolarHBondContact CD-O 3.22Å; G159-A161 PolarHBondContact O-N 2.74Å
160D98.5Very high97.9Very high0 Ų030.4 Ų30.40%016%0.162CC..SBendtrans-96.496.2-170-168.836.3000111R112 M115 L136 Q137 P299R112-D160 IonicContact CZ-OD1 2.81Å; R112-D160 IonicContact NE-OD1 2.93Å; R112-D160 PolarHBondContact NE-OD1 3.45Å; R112-D160 IonicContact NH2-OD1 3.23Å; R112-D160 PolarHBondContact NH2-OD1 3.4Å; M115-D160 HydrophobicContact CE-CB 4.21Å; M115-D160 HydrophobicContact SD-CB 4.07Å; L136-D160 PolarHBondContact N-OD2 2.98Å; Q137-D160 PolarHBondContact O-N 2.74Å; D160-P299 WeakPolarHBondContact O-CD 3.42Å
161A98.6Very high97.9Very high0 Ų025 Ų250%014%0.136CC..  trans-149171.3-171.600000111.8L110 T138 G159 P299 I301L110-A161 HydrophobicContact CD1-CB 3.85Å; L110-A161 HydrophobicContact CD2-CB 4.04Å; L110-A161 WeakPolarHBondContact CD2-O 3.27Å; T138-A161 HydrophobicContact CG2-CB 3.61Å; G159-A161 PolarHBondContact O-N 2.74Å; A161-P299 WeakPolarHBondContact CA-O 3.43Å; A161-P299 HydrophobicContact CB-CB 3.98Å; A161-P299 WeakPolarHBondContact CB-O 3.1Å; A161-I301 HydrophobicContact CB-CG1 4.44Å
162V98.6Very high98Very high1 Ų124.4 Ų24.41%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-128.4152.8-177.5-57.70000110.6L170 V193 Y298 P299 R300 I301V162-L170 CarbonylContact C-O 3.21Å; V162-L170 WeakPolarHBondContact CA-O 3.35Å; V162-L170 WeakPolarHBondContact CB-O 3.27Å; V162-V193 HydrophobicContact CB-CG2 3.94Å; V162-V193 HydrophobicContact CG1-CG2 3.46Å; V162-V193 VanDerWaalsContact CG1-CG2 3.46Å; V162-V193 HydrophobicContact CG2-CG2 4.37Å; V162-Y298 HydrophobicContact CG1-CD1 3.7Å; V162-Y298 HydrophobicContact CG1-CE1 4.41Å; V162-Y298 HydrophobicContact CG1-CG 3.87Å; V162-P299 PolarHBondContact N-O 2.86Å; V162-R300 HydrophobicContact CG2-CB 4.46Å; V162-R300 HydrophobicContact CG2-CG 3.85Å; V162-I301 PolarHBondContact O-N 2.95Å
163I98.7Very high98Very high0 Ų021.8 Ų21.80%011%0.106CC..EExtended strand (participates in β ladder)trans-100.5120.3177.8-61.5-179.6000109.2A102 L109 L110 C169 L170 Y172 I301 C303A102-I163 HydrophobicContact CB-CD1 3.56Å; L109-I163 HydrophobicContact CB-CD1 4.05Å; L109-I163 HydrophobicContact CD1-CD1 4.07Å; L109-I163 HydrophobicContact CD1-CG2 4.29Å; L110-I163 HydrophobicContact CB-CD1 4.29Å; L110-I163 HydrophobicContact CB-CG1 4.38Å; L110-I163 HydrophobicContact CD2-CG1 4.3Å; I163-C169 CarbonylContact O-C 3.58Å; I163-C169 WeakPolarHBondContact O-CA 3.32Å; I163-L170 HydrophobicContact CG2-CD1 4.48Å; I163-L170 PolarHBondContact N-O 2.88Å; I163-L170 PolarHBondContact O-N 3.07Å; I163-Y172 HydrophobicContact CD1-CE2 3.92Å; I163-Y172 HydrophobicContact CG1-CE2 4.26Å; I163-I301 WeakPolarHBondContact CA-O 3.36Å; I163-C303 HydrophobicContact CG2-CB 3.92Å
164A98.2Very high98.1Very high6 Ų620.1 Ų20.15%0.0510%0.098CC..EExtended strand (participates in β ladder)trans-101.3117.6174.400000109.6I301 H302 C303A164-I301 PolarHBondContact N-O 3.14Å; A164-H302 WeakPolarHBondContact O-CA 3.18Å; A164-C303 PolarHBondContact O-N 2.93Å
165T97.4Very high98Very high14 Ų1414 Ų149%0.0867%0.07CC..  trans-84-176.5166.969.80000109.2D167 T168 L170 F305 M307T165-D167 PolarHBondContact O-N 3.12Å; T165-D167 PolarHBondContact OG1-N 3.2Å; T165-D167 PolarHBondContact OG1-OD1 3.09Å; T165-T168 PolarHBondContact N-O 2.55Å; T165-T168 PolarHBondContact OG1-N 3.28Å; T165-T168 PolarHBondContact OG1-O 3.15Å; T165-L170 HydrophobicContact CG2-CD1 3.94Å; T165-F305 WeakPolarHBondContact CB-O 3.32Å; T165-F305 HydrophobicContact CG2-CD1 4.45Å; T165-M307 HydrophobicContact CG2-CG 4.18Å; T165-M307 HydrophobicContact CG2-SD 4.13Å
166R95.7Very high97.9Very high149 Ų14913.7 Ų13.756%0.5627%0.065SC*.SBendtrans-69.4-19.4171.4-62.2-172-169.4154.60.6113.2D304 F305 E306R166-D304 IonicContact CZ-OD1 3.65Å; R166-D304 VanDerWaalsContact CZ-OD1 3.22Å; R166-D304 IonicContact CZ-OD2 2.66Å; R166-D304 IonicContact NE-OD1 3.47Å; R166-D304 PolarHBondContact NE-OD1 2.84Å; R166-D304 IonicContact NH2-OD1 3.84Å; R166-D304 PolarHBondContact NH2-OD1 3.34Å; R166-D304 IonicContact NH2-OD2 2.73Å; R166-D304 PolarHBondContact NH2-OD2 3.35Å; R166-F305 WeakPolarHBondContact CB-O 3.48Å; R166-F305 PolarHBondContact N-O 2.78Å; R166-E306 HydrophobicContact CB-CG 3.8Å; R166-E306 WeakPolarHBondContact CD-OE1 3.44Å; R166-E306 HydrophobicContact CG-CG 4.34Å; R166-E306 IonicContact CZ-OE1 3.58Å; R166-E306 IonicContact NE-OE1 3.63Å; R166-E306 IonicContact NH1-OE1 3.9Å; R166-E306 PolarHBondContact NH1-OE1 3.48Å
167D95.3Very high97.9Very high13 Ų1313.6 Ų13.67%0.076%0.064CC..SBendtrans-126.5-13.5-168.663.6-18.6000115.9T165 L275 R279 M307 S308T165-D167 PolarHBondContact O-N 3.12Å; T165-D167 PolarHBondContact OG1-N 3.2Å; T165-D167 PolarHBondContact OG1-OD1 3.09Å; D167-L275 WeakPolarHBondContact O-CD1 3.46Å; D167-R279 PolarHBondContact O-NH2 3.18Å; D167-M307 VanDerWaalsContact CG-N 3.35Å; D167-M307 PolarHBondContact OD1-N 2.8Å; D167-M307 PolarHBondContact OD2-N 3.1Å; D167-S308 WeakPolarHBondContact OD2-CB 3.27Å; D167-S308 PolarHBondContact OD2-N 3.34Å; D167-S308 PolarHBondContact OD2-OG 2.9Å
168T97.1Very high97.8Very high9 Ų912 Ų126%0.0555%0.054CC..  trans-155.6-175.5176.4-162.40000112.6T165 L170 E194 L195 M307T165-T168 PolarHBondContact N-O 2.55Å; T165-T168 PolarHBondContact OG1-N 3.28Å; T165-T168 PolarHBondContact OG1-O 3.15Å; T168-L170 HydrophobicContact CG2-CD1 4.27Å; T168-E194 WeakPolarHBondContact CA-OE2 3.45Å; T168-E194 WeakPolarHBondContact CB-OE2 3.5Å; T168-E194 WeakPolarHBondContact OG1-CB 3.33Å; T168-E194 PolarHBondContact OG1-OE2 2.86Å; T168-L195 HydrophobicContact CG2-CD1 4.03Å; T168-M307 HydrophobicContact CG2-CE 4.49Å; T168-M307 HydrophobicContact CG2-SD 3.67Å
169C98Very high97.5Very high6 Ų615.7 Ų15.74%0.0417%0.068CC..EExtended strand (participates in β ladder)trans-142.2130.8179.1-172.60000110.5I163 V193 E194 L195I163-C169 CarbonylContact O-C 3.58Å; I163-C169 WeakPolarHBondContact O-CA 3.32Å; C169-V193 WeakPolarHBondContact O-CG1 3.37Å; C169-E194 PolarHBondContact O-N 3.07Å; C169-L195 PolarHBondContact O-N 3.35Å; C169-L195 VanDerWaalsContact O-N 3.07Å
170L98.5Very high97.3Very high0 Ų018.8 Ų18.80%09%0.085CC..EExtended strand (participates in β ladder)trans-114.9141-176.3-52.592.6000111.4Y40 L83 V162 I163 T165 T168 L195 M307Y40-L170 HydrophobicContact CD1-CD2 3.91Å; Y40-L170 HydrophobicContact CD2-CD2 4.17Å; Y40-L170 HydrophobicContact CE1-CD2 3.82Å; Y40-L170 HydrophobicContact CE2-CD2 4.13Å; Y40-L170 HydrophobicContact CG-CD2 4.08Å; L83-L170 HydrophobicContact CD2-CD1 3.88Å; L83-L170 HydrophobicContact CD2-CD2 3.93Å; V162-L170 CarbonylContact C-O 3.21Å; V162-L170 WeakPolarHBondContact CA-O 3.35Å; V162-L170 WeakPolarHBondContact CB-O 3.27Å; I163-L170 HydrophobicContact CG2-CD1 4.48Å; I163-L170 PolarHBondContact N-O 2.88Å; I163-L170 PolarHBondContact O-N 3.07Å; T165-L170 HydrophobicContact CG2-CD1 3.94Å; T168-L170 HydrophobicContact CG2-CD1 4.27Å; L170-L195 WeakPolarHBondContact CA-O 3.39Å; L170-L195 HydrophobicContact CD2-CB 4.46Å; L170-L195 HydrophobicContact CD2-CD1 4.08Å; L170-L195 HydrophobicContact CG-CB 4.21Å; L170-L195 HydrophobicContact CG-CD1 4.14Å; L170-M307 HydrophobicContact CD1-SD 3.87Å; L170-M307 HydrophobicContact CD2-CE 4.45Å; L170-M307 HydrophobicContact CD2-SD 4.1Å; L170-M307 HydrophobicContact CG-SD 4.41Å
171G98.4Very high96.9Very high0 Ų025.8 Ų25.80%013%0.127CC..EExtended strand (participates in β ladder)trans-140.4145.8177.500000111.7V193 L195 V197G171-V193 VanDerWaalsContact N-CG1 3.25Å; G171-L195 PolarHBondContact N-O 2.66Å; G171-L195 VanDerWaalsContact N-O 3.07Å; G171-V197 PolarHBondContact O-N 2.73Å
172Y98.5Very high96.6Very high1 Ų134 Ų340%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-109112.6-169-59.7-85.5000111.9D85 R100 A102 L110 R112 I163 M188 V197D85-Y172 HydrophobicContact CB-CE1 3.93Å; R100-Y172 HydrophobicContact CB-CD1 4.31Å; R100-Y172 HydrophobicContact CG-CD1 4.06Å; R100-Y172 HydrophobicContact CG-CG 4.42Å; A102-Y172 HydrophobicContact CB-CE2 4.23Å; A102-Y172 WeakPolarHBondContact CB-OH 3.42Å; L110-Y172 HydrophobicContact CD2-CD2 4.33Å; L110-Y172 HydrophobicContact CD2-CE2 4.39Å; R112-Y172 PolarHBondContact NH2-O 2.66Å; I163-Y172 HydrophobicContact CD1-CE2 3.92Å; I163-Y172 HydrophobicContact CG1-CE2 4.26Å; Y172-M188 WeakPolarHBondContact O-CE 3.12Å; Y172-V197 HydrophobicContact CD1-CB 3.69Å; Y172-V197 HydrophobicContact CD1-CG1 3.77Å; Y172-V197 HydrophobicContact CD1-CG2 4.15Å; Y172-V197 HydrophobicContact CE1-CB 4.02Å; Y172-V197 HydrophobicContact CE1-CG1 3.96Å; Y172-V197 HydrophobicContact CE1-CG2 4.03Å
173E97.9Very high96.5Very high0 Ų034.6 Ų34.60%016%0.162CC..EExtended strand (participates in β ladder)trans-90.9151.1161.1-160.5156.869.300107.8E177 K184 H185 I196 V197 N198 Y227E173-E177 HydrophobicContact CG-CB 3.44Å; E173-E177 VanDerWaalsContact CG-CB 3.44Å; E173-K184 HydrophobicContact CG-CB 4.35Å; E173-K184 WeakPolarHBondContact OE2-CA 3.45Å; E173-K184 PolarHBondContact OE2-N 2.71Å; E173-H185 IonicContact OE1-CE1 3.28Å; E173-H185 IonicContact OE1-CG 4Å; E173-H185 IonicContact OE1-ND1 2.82Å; E173-H185 PolarHBondContact OE1-ND1 2.8Å; E173-H185 IonicContact OE2-CG 2.7Å; E173-H185 PolarHBondContact OE2-N 3.08Å; E173-H185 IonicContact OE2-ND1 3.31Å; E173-H185 PolarHBondContact OE2-ND1 3.09Å; E173-I196 HydrophobicContact CB-CG2 4.27Å; E173-V197 WeakPolarHBondContact CA-O 3.29Å; E173-V197 PolarHBondContact N-O 3.01Å; E173-N198 HydrophobicContact CB-CB 4.45Å; E173-N198 WeakPolarHBondContact O-CA 3.27Å; E173-Y227 WeakPolarHBondContact OE1-CE2 3.43Å; E173-Y227 PolarHBondContact OE1-OH 3.01Å
174I98.4Very high96.3Very high0 Ų036.3 Ų36.30%017%0.169CC..EExtended strand (participates in β ladder)trans-132.8113.8179.8-50.3180000109.8E45 R100 K114 E176 E177E45-I174 HydrophobicContact CG-CG2 4.16Å; E45-I174 WeakPolarHBondContact OE1-CG2 3.45Å; R100-I174 HydrophobicContact CG-CD1 3.88Å; R100-I174 HydrophobicContact CG-CG1 4.09Å; K114-I174 HydrophobicContact CB-CB 4.4Å; K114-I174 HydrophobicContact CB-CD1 4.05Å; K114-I174 HydrophobicContact CB-CG2 4.47Å; K114-I174 HydrophobicContact CD-CB 4.24Å; K114-I174 HydrophobicContact CD-CG2 3.84Å; K114-I174 WeakPolarHBondContact CE-O 3.09Å; K114-I174 HydrophobicContact CG-CB 4.06Å; K114-I174 HydrophobicContact CG-CG2 4.19Å; I174-E176 PolarHBondContact O-N 2.77Å; I174-E176 VanDerWaalsContact O-N 3.11Å; I174-E177 PolarHBondContact N-OE2 3.15Å; I174-E177 WeakPolarHBondContact O-CB 3.41Å; I174-E177 WeakPolarHBondContact O-CG 3.32Å; I174-E177 PolarHBondContact O-N 2.76Å
175C97.3Very high96.2Very high4 Ų436.3 Ų36.33%0.02717%0.169CC..G310 helixtrans36.9-111.2-177.6-161.10000112.9E45 E177 L178 W179 N198 S199 S200E45-C175 WeakPolarHBondContact OE2-CB 3.41Å; C175-E177 PolarHBondContact O-N 2.73Å; C175-L178 WeakPolarHBondContact O-CB 3.41Å; C175-L178 PolarHBondContact O-N 2.7Å; C175-W179 VanDerWaalsContact O-CZ3 3.32Å; C175-W179 WeakPolarHBondContact O-CZ3 3.37Å; C175-N198 PolarHBondContact N-OD1 3.14Å; C175-N198 PolarHBondContact O-ND2 3.41Å; C175-S199 PolarHBondContact N-O 3.34Å; C175-S200 WeakPolarHBondContact CA-OG 3.29Å
176E96.1Very high96.1Very high45 Ų4537.9 Ų37.921%0.2118%0.176CC..G310 helixtrans-42.6-27.1178.2-172.854.9-13900115.4C118 I174 L178 W179 N180C118-E176 HydrophobicContact CB-CB 4.06Å; C118-E176 HydrophobicContact CB-CG 4.15Å; C118-E176 PolarHBondContact SG-OE2 3.31Å; I174-E176 PolarHBondContact O-N 2.77Å; I174-E176 VanDerWaalsContact O-N 3.11Å; E176-L178 PolarHBondContact O-N 2.72Å; E176-L178 VanDerWaalsContact O-N 3.1Å; E176-W179 PolarHBondContact O-N 3.25Å; E176-N180 PolarHBondContact O-N 2.73Å
177E97.8Very high96.1Very high1 Ų132.7 Ų32.71%0.00516%0.158CC..G310 helixtrans-57.1-23.4172.6-69-178.3-164.100113.5R112 K114 M115 A116 E173 I174 C175 S183 K184R112-E177 IonicContact CZ-OE1 3.81Å; R112-E177 IonicContact CZ-OE2 3.94Å; R112-E177 IonicContact NH1-OE1 3.64Å; R112-E177 PolarHBondContact NH1-OE1 2.92Å; R112-E177 IonicContact NH1-OE2 2.71Å; R112-E177 PolarHBondContact NH1-OE2 2.87Å; R112-E177 IonicContact NH2-OE1 2.81Å; R112-E177 IonicContact NH2-OE2 3.46Å; R112-E177 PolarHBondContact NH2-OE2 3.32Å; K114-E177 WeakPolarHBondContact CA-OE1 3.46Å; M115-E177 PolarHBondContact N-OE1 2.88Å; A116-E177 HydrophobicContact CB-CG 3.98Å; E173-E177 HydrophobicContact CG-CB 3.44Å; E173-E177 VanDerWaalsContact CG-CB 3.44Å; I174-E177 PolarHBondContact N-OE2 3.15Å; I174-E177 WeakPolarHBondContact O-CB 3.41Å; I174-E177 WeakPolarHBondContact O-CG 3.32Å; I174-E177 PolarHBondContact O-N 2.76Å; C175-E177 PolarHBondContact O-N 2.73Å; E177-S183 WeakPolarHBondContact O-CA 3.34Å; E177-S183 WeakPolarHBondContact O-CB 3.31Å; E177-K184 HydrophobicContact CB-CG 4.05Å; E177-K184 HydrophobicContact CG-CG 4.17Å; E177-K184 VanDerWaalsContact OE2-CG 3.32Å; E177-K184 WeakPolarHBondContact OE2-CG 3.27Å
178L96.8Very high96.2Very high3 Ų332 Ų322%0.01616%0.155CC..THydrogen-bonded Turntrans-75.6-45.8170.4171.160000112.8C175 E176 N180 S183 N198 L215 I216 A219 Y227C175-L178 WeakPolarHBondContact O-CB 3.41Å; C175-L178 PolarHBondContact O-N 2.7Å; E176-L178 PolarHBondContact O-N 2.72Å; E176-L178 VanDerWaalsContact O-N 3.1Å; L178-N180 VanDerWaalsContact C-N 3.25Å; L178-N180 PolarHBondContact O-N 2.69Å; L178-S183 PolarHBondContact O-OG 3.4Å; L178-S183 VanDerWaalsContact O-OG 3.07Å; L178-N198 WeakPolarHBondContact CB-ND2 3.45Å; L178-L215 HydrophobicContact CD1-CB 4.21Å; L178-L215 HydrophobicContact CD2-CB 3.87Å; L178-L215 HydrophobicContact CG-CB 4.04Å; L178-I216 HydrophobicContact CD2-CG1 4.34Å; L178-A219 HydrophobicContact CD1-CB 3.95Å; L178-Y227 HydrophobicContact CD1-CE2 4.29Å; L178-Y227 HydrophobicContact CD2-CE1 4.31Å
179W94Very high96.2Very high77 Ų7731.7 Ų31.729%0.29215%0.153SC..THydrogen-bonded Turntrans-69.4-24.1-177.3-76.1-105.1000112.4C175 E176 L215 F229C175-W179 VanDerWaalsContact O-CZ3 3.32Å; C175-W179 WeakPolarHBondContact O-CZ3 3.37Å; E176-W179 PolarHBondContact O-N 3.25Å; W179-L215 VanDerWaalsContact CD1-CD1 3.44Å; W179-L215 HydrophobicContact CD2-CD1 3.86Å; W179-L215 HydrophobicContact CG-CD1 3.78Å; W179-L215 HydrophobicContact CZ2-CD1 4.23Å; W179-L215 VanDerWaalsContact NE1-CD1 3.28Å; W179-F229 AromaticContact CH2-CE2 3.99Å; W179-F229 HydrophobicContact CH2-CE2 3.99Å; W179-F229 HydrophobicContact CH2-CZ 4.23Å; W179-F229 HydrophobicContact CZ3-CE2 4.39Å
180N92.9Very high96.1Very high66 Ų6633.7 Ų33.735%0.35316%0.162SC..SBendtrans-60.6141.6178.9-161.3-77.5000113.3E176 L178 R182 S183E176-N180 PolarHBondContact O-N 2.73Å; L178-N180 VanDerWaalsContact C-N 3.25Å; L178-N180 PolarHBondContact O-N 2.69Å; N180-R182 PolarHBondContact O-N 2.78Å; N180-R182 VanDerWaalsContact O-N 3.08Å; N180-R182 PolarHBondContact OD1-N 3.17Å; N180-R182 VanDerWaalsContact OD1-N 3.08Å; N180-S183 PolarHBondContact O-N 2.76Å; N180-S183 VanDerWaalsContact O-N 3.14Å; N180-S183 PolarHBondContact O-OG 3.47Å
181V91.4Very high96Very high147 Ų14734.5 Ų34.589%0.89117%0.169SC*.THydrogen-bonded Turntrans-55.9-28.4179.2-1770000113.1
182R91.7Very high95.9Very high172 Ų17236 Ų3665%0.64918%0.184SC*.THydrogen-bonded Turntrans-116.567.2172.5-172.1177.7173.8164.4-3.6109.8N180 E187N180-R182 PolarHBondContact O-N 2.78Å; N180-R182 VanDerWaalsContact O-N 3.08Å; N180-R182 PolarHBondContact OD1-N 3.17Å; N180-R182 VanDerWaalsContact OD1-N 3.08Å; R182-E187 IonicContact CZ-OE1 3.83Å; R182-E187 IonicContact NE-OE1 2.67Å; R182-E187 PolarHBondContact NE-OE1 3.08Å; R182-E187 IonicContact NH2-OE1 3.68Å; R182-E187 PolarHBondContact NH2-OE1 3.12Å
183S95.6Very high95.9Very high14 Ų1436 Ų3610%0.09818%0.184CC..  trans-55.3141.3178.5-27.80000112.1E177 L178 N180 H185 I186E177-S183 WeakPolarHBondContact O-CA 3.34Å; E177-S183 WeakPolarHBondContact O-CB 3.31Å; L178-S183 PolarHBondContact O-OG 3.4Å; L178-S183 VanDerWaalsContact O-OG 3.07Å; N180-S183 PolarHBondContact O-N 2.76Å; N180-S183 VanDerWaalsContact O-N 3.14Å; N180-S183 PolarHBondContact O-OG 3.47Å; S183-H185 VanDerWaalsContact C-N 3.33Å; S183-H185 WeakPolarHBondContact CB-CE1 3.49Å; S183-H185 VanDerWaalsContact CB-ND1 3.33Å; S183-H185 WeakPolarHBondContact CB-ND1 3.33Å; S183-H185 PolarHBondContact O-N 2.91Å; S183-I186 WeakPolarHBondContact O-CB 3.42Å; S183-I186 WeakPolarHBondContact O-CG1 3.39Å; S183-I186 PolarHBondContact O-N 2.96Å
184K95.3Very high95.9Very high35 Ų3537 Ų3715%0.15219%0.189CC..Hα-helixtrans-69.8-30.2-172.9-59.7-55.7-173166.60113M115 E173 E177 I186 E187 M188M115-K184 HydrophobicContact SD-CD 4.25Å; E173-K184 HydrophobicContact CG-CB 4.35Å; E173-K184 WeakPolarHBondContact OE2-CA 3.45Å; E173-K184 PolarHBondContact OE2-N 2.71Å; E177-K184 HydrophobicContact CB-CG 4.05Å; E177-K184 HydrophobicContact CG-CG 4.17Å; E177-K184 VanDerWaalsContact OE2-CG 3.32Å; E177-K184 WeakPolarHBondContact OE2-CG 3.27Å; K184-I186 PolarHBondContact O-N 2.93Å; K184-I186 VanDerWaalsContact O-N 3.08Å; K184-E187 PolarHBondContact O-N 3.4Å; K184-E187 VanDerWaalsContact O-N 3.12Å; K184-M188 HydrophobicContact CB-CE 4.19Å; K184-M188 WeakPolarHBondContact O-CG 3.49Å; K184-M188 PolarHBondContact O-N 3.03Å; K184-M188 VanDerWaalsContact O-N 3.1Å
185H96.6Very high95.9Very high7 Ų737 Ų373%0.03219%0.189CC..Hα-helixtrans-57.5-24.2175.968.8-107.9000113.4E173 S183 S189 I196 A219 Y227E173-H185 IonicContact OE1-CE1 3.28Å; E173-H185 IonicContact OE1-CG 4Å; E173-H185 IonicContact OE1-ND1 2.82Å; E173-H185 PolarHBondContact OE1-ND1 2.8Å; E173-H185 IonicContact OE2-CG 2.7Å; E173-H185 PolarHBondContact OE2-N 3.08Å; E173-H185 IonicContact OE2-ND1 3.31Å; E173-H185 PolarHBondContact OE2-ND1 3.09Å; S183-H185 VanDerWaalsContact C-N 3.33Å; S183-H185 WeakPolarHBondContact CB-CE1 3.49Å; S183-H185 VanDerWaalsContact CB-ND1 3.33Å; S183-H185 WeakPolarHBondContact CB-ND1 3.33Å; S183-H185 PolarHBondContact O-N 2.91Å; H185-S189 WeakPolarHBondContact O-CB 3.38Å; H185-S189 PolarHBondContact O-N 3.1Å; H185-I196 HydrophobicContact CB-CB 4.47Å; H185-I196 HydrophobicContact CB-CD1 4.03Å; H185-I196 HydrophobicContact CB-CG1 3.99Å; H185-I196 HydrophobicContact CB-CG2 3.79Å; H185-A219 VanDerWaalsContact CE1-CB 3.47Å; H185-A219 WeakPolarHBondContact CE1-CB 3.09Å; H185-Y227 HydrophobicContact CB-CE2 4.24Å
186I95.3Very high95.9Very high46 Ų4637 Ų3724%0.23619%0.189CC..Hα-helixtrans-63.9-52.5176.3-58.5173.5000109.8S183 K184 L190S183-I186 WeakPolarHBondContact O-CB 3.42Å; S183-I186 WeakPolarHBondContact O-CG1 3.39Å; S183-I186 PolarHBondContact O-N 2.96Å; K184-I186 PolarHBondContact O-N 2.93Å; K184-I186 VanDerWaalsContact O-N 3.08Å; I186-L190 HydrophobicContact CG2-CD1 4.28Å; I186-L190 VanDerWaalsContact O-CG 3.27Å; I186-L190 WeakPolarHBondContact O-CG 3.49Å; I186-L190 PolarHBondContact O-N 2.9Å; I186-L190 VanDerWaalsContact O-N 3.09Å
187E95.3Very high96.1Very high40 Ų4034.9 Ų34.919%0.18718%0.179CC..Hα-helixtrans-71.1-43-177.1-66.5175.9178.500110.9R182 K184 S189 L190 A191 Y298R182-E187 IonicContact CZ-OE1 3.83Å; R182-E187 IonicContact NE-OE1 2.67Å; R182-E187 PolarHBondContact NE-OE1 3.08Å; R182-E187 IonicContact NH2-OE1 3.68Å; R182-E187 PolarHBondContact NH2-OE1 3.12Å; K184-E187 PolarHBondContact O-N 3.4Å; K184-E187 VanDerWaalsContact O-N 3.12Å; E187-S189 PolarHBondContact O-N 3.45Å; E187-L190 PolarHBondContact O-N 2.73Å; E187-A191 WeakPolarHBondContact O-CB 3.35Å; E187-A191 PolarHBondContact O-N 2.82Å; E187-Y298 HydrophobicContact CB-CE2 3.92Å; E187-Y298 WeakPolarHBondContact CB-OH 3.38Å
188M97.3Very high96.1Very high0 Ų034.9 Ų34.90%018%0.179CC..Hα-helixtrans-57.8-46.6174.7-68.3-179-179.600112.1Y172 K184 A191 G192 V193 I196 Y298Y172-M188 WeakPolarHBondContact O-CE 3.12Å; K184-M188 HydrophobicContact CB-CE 4.19Å; K184-M188 WeakPolarHBondContact O-CG 3.49Å; K184-M188 PolarHBondContact O-N 3.03Å; K184-M188 VanDerWaalsContact O-N 3.1Å; M188-A191 CarbonylContact O-C 3.56Å; M188-A191 PolarHBondContact O-N 3.29Å; M188-G192 PolarHBondContact O-N 3.04Å; M188-G192 VanDerWaalsContact O-N 3.16Å; M188-V193 HydrophobicContact CB-CB 3.99Å; M188-V193 HydrophobicContact CB-CG1 4.48Å; M188-V193 HydrophobicContact CB-CG2 3.82Å; M188-V193 HydrophobicContact CG-CG2 4.46Å; M188-V193 VanDerWaalsContact O-CB 3.27Å; M188-V193 WeakPolarHBondContact O-CB 3.36Å; M188-V193 WeakPolarHBondContact O-CG2 3.36Å; M188-V193 PolarHBondContact O-N 3.3Å; M188-I196 HydrophobicContact CB-CD1 3.7Å; M188-I196 HydrophobicContact SD-CD1 4.23Å; M188-Y298 HydrophobicContact CE-CE1 4.06Å; M188-Y298 HydrophobicContact CG-CE1 3.98Å; M188-Y298 HydrophobicContact CG-CE2 4.07Å
189S96.9Very high96.2Very high2 Ų234.7 Ų34.71%0.01418%0.178CC..Hα-helixtrans-63.8-43.2177.9179.20000111.9H185 E187 A191 G192 A223 R282 R288H185-S189 WeakPolarHBondContact O-CB 3.38Å; H185-S189 PolarHBondContact O-N 3.1Å; E187-S189 PolarHBondContact O-N 3.45Å; S189-A191 VanDerWaalsContact C-N 3.33Å; S189-A191 PolarHBondContact O-N 3.23Å; S189-G192 PolarHBondContact O-N 3.16Å; S189-A223 PolarHBondContact OG-O 2.91Å; S189-R282 PolarHBondContact OG-NH2 3.19Å; S189-R282 VanDerWaalsContact OG-NH2 3.1Å; S189-R288 VanDerWaalsContact C-NH2 3.3Å; S189-R288 PolarHBondContact O-NH2 2.93Å; S189-R288 PolarHBondContact OG-NH2 3.13Å
190L96.3Very high96.4Very high47 Ų4731 Ų3125%0.24616%0.164CC..Hα-helixtrans-62.4-39.5175.7-70.4172.9000111.8I186 E187 G192 R288 A291 A292 A295I186-L190 HydrophobicContact CG2-CD1 4.28Å; I186-L190 VanDerWaalsContact O-CG 3.27Å; I186-L190 WeakPolarHBondContact O-CG 3.49Å; I186-L190 PolarHBondContact O-N 2.9Å; I186-L190 VanDerWaalsContact O-N 3.09Å; E187-L190 PolarHBondContact O-N 2.73Å; L190-G192 PolarHBondContact O-N 3.47Å; L190-R288 HydrophobicContact CD2-CG 4.43Å; L190-A291 HydrophobicContact CD2-CB 3.9Å; L190-A292 HydrophobicContact CD2-CB 4.13Å; L190-A292 WeakPolarHBondContact O-CB 3.46Å; L190-A295 HydrophobicContact CB-CB 3.88Å
191A96.3Very high96.6Very high17 Ų1727.9 Ų27.914%0.1415%0.148CC..THydrogen-bonded Turntrans-74.74.5172.900000114.7E187 M188 S189 Y298 R300E187-A191 WeakPolarHBondContact O-CB 3.35Å; E187-A191 PolarHBondContact O-N 2.82Å; M188-A191 CarbonylContact O-C 3.56Å; M188-A191 PolarHBondContact O-N 3.29Å; S189-A191 VanDerWaalsContact C-N 3.33Å; S189-A191 PolarHBondContact O-N 3.23Å; A191-Y298 HydrophobicContact CB-CD2 3.55Å; A191-Y298 HydrophobicContact CB-CE2 4.19Å; A191-R300 PolarHBondContact O-NH2 3.47Å
192G96.3Very high96.8Very high31 Ų3121.4 Ų21.432%0.3211%0.109SC..THydrogen-bonded Turntrans90.413.1170.900000116.4M188 S189 L190 E194M188-G192 PolarHBondContact O-N 3.04Å; M188-G192 VanDerWaalsContact O-N 3.16Å; S189-G192 PolarHBondContact O-N 3.16Å; L190-G192 PolarHBondContact O-N 3.47Å; G192-E194 PolarHBondContact O-N 2.73Å
193V98Very high97Very high1 Ų114 Ų141%0.0068%0.081CC..  trans-63.3129167.6177.30000109.3V162 C169 G171 M188 L195 I196 R282V162-V193 HydrophobicContact CB-CG2 3.94Å; V162-V193 HydrophobicContact CG1-CG2 3.46Å; V162-V193 VanDerWaalsContact CG1-CG2 3.46Å; V162-V193 HydrophobicContact CG2-CG2 4.37Å; C169-V193 WeakPolarHBondContact O-CG1 3.37Å; G171-V193 VanDerWaalsContact N-CG1 3.25Å; M188-V193 HydrophobicContact CB-CB 3.99Å; M188-V193 HydrophobicContact CB-CG1 4.48Å; M188-V193 HydrophobicContact CB-CG2 3.82Å; M188-V193 HydrophobicContact CG-CG2 4.46Å; M188-V193 VanDerWaalsContact O-CB 3.27Å; M188-V193 WeakPolarHBondContact O-CB 3.36Å; M188-V193 WeakPolarHBondContact O-CG2 3.36Å; M188-V193 PolarHBondContact O-N 3.3Å; V193-L195 VanDerWaalsContact CG1-O 3.29Å; V193-L195 WeakPolarHBondContact CG1-O 3.45Å; V193-I196 HydrophobicContact CB-CD1 4.24Å; V193-I196 HydrophobicContact CG1-CD1 3.7Å; V193-R282 PolarHBondContact O-NH1 2.75Å; V193-R282 PolarHBondContact O-NH2 3.09Å
194E98.1Very high96.9Very high21 Ų2113.4 Ų13.410%0.0988%0.077CC..  trans-97.4-35.6-176.6-64.9-178.7142.600112.5T168 C169 G192 A226 I278 R279T168-E194 WeakPolarHBondContact CA-OE2 3.45Å; T168-E194 WeakPolarHBondContact CB-OE2 3.5Å; T168-E194 WeakPolarHBondContact OG1-CB 3.33Å; T168-E194 PolarHBondContact OG1-OE2 2.86Å; C169-E194 PolarHBondContact O-N 3.07Å; G192-E194 PolarHBondContact O-N 2.73Å; E194-A226 PolarHBondContact O-N 2.79Å; E194-I278 HydrophobicContact CB-CD1 4.31Å; E194-I278 HydrophobicContact CB-CG2 4.24Å; E194-I278 HydrophobicContact CG-CG2 4.25Å; E194-R279 WeakPolarHBondContact OE1-CG 3.41Å; E194-R279 IonicContact OE1-CZ 3.94Å; E194-R279 IonicContact OE1-NE 3.78Å; E194-R279 PolarHBondContact OE1-NE 2.85Å; E194-R279 IonicContact OE1-NH2 2.75Å; E194-R279 PolarHBondContact OE1-NH2 3.21Å; E194-R279 VanDerWaalsContact OE1-NH2 3.15Å; E194-R279 IonicContact OE2-CZ 2.74Å; E194-R279 IonicContact OE2-NE 3.62Å; E194-R279 IonicContact OE2-NH2 3.28Å; E194-R279 PolarHBondContact OE2-NH2 3.2Å
195L98.3Very high96.9Very high0 Ų013.5 Ų13.50%08%0.078CC..EExtended strand (participates in β ladder)trans-109.9112.9178.1-48.7-177.4000109.5V7 T168 C169 L170 G171 V193 A226 L228 L275 I278 M307V7-L195 HydrophobicContact CG1-CD1 4.34Å; T168-L195 HydrophobicContact CG2-CD1 4.03Å; C169-L195 PolarHBondContact O-N 3.35Å; C169-L195 VanDerWaalsContact O-N 3.07Å; L170-L195 WeakPolarHBondContact CA-O 3.39Å; L170-L195 HydrophobicContact CD2-CB 4.46Å; L170-L195 HydrophobicContact CD2-CD1 4.08Å; L170-L195 HydrophobicContact CG-CB 4.21Å; L170-L195 HydrophobicContact CG-CD1 4.14Å; G171-L195 PolarHBondContact N-O 2.66Å; G171-L195 VanDerWaalsContact N-O 3.07Å; V193-L195 VanDerWaalsContact CG1-O 3.29Å; V193-L195 WeakPolarHBondContact CG1-O 3.45Å; L195-A226 HydrophobicContact CD2-CB 3.6Å; L195-L228 HydrophobicContact CB-CD1 4.27Å; L195-L275 HydrophobicContact CD2-CD2 4.07Å; L195-I278 HydrophobicContact CD2-CD1 4.21Å; L195-M307 HydrophobicContact CD1-CE 3.6Å; L195-M307 HydrophobicContact CD1-SD 4.28Å
196I98.7Very high96.9Very high6 Ų613.4 Ų13.43%0.0318%0.078CC..EExtended strand (participates in β ladder)trans-93130.6171.7-57.3-65.6000108.6E173 H185 M188 V193 A226 Y227 L228E173-I196 HydrophobicContact CB-CG2 4.27Å; H185-I196 HydrophobicContact CB-CB 4.47Å; H185-I196 HydrophobicContact CB-CD1 4.03Å; H185-I196 HydrophobicContact CB-CG1 3.99Å; H185-I196 HydrophobicContact CB-CG2 3.79Å; M188-I196 HydrophobicContact CB-CD1 3.7Å; M188-I196 HydrophobicContact SD-CD1 4.23Å; V193-I196 HydrophobicContact CB-CD1 4.24Å; V193-I196 HydrophobicContact CG1-CD1 3.7Å; I196-A226 PolarHBondContact N-O 2.86Å; I196-Y227 HydrophobicContact CB-CD2 3.83Å; I196-Y227 HydrophobicContact CB-CE2 4.17Å; I196-Y227 HydrophobicContact CB-CG 4.5Å; I196-Y227 HydrophobicContact CG2-CD2 3.67Å; I196-Y227 HydrophobicContact CG2-CE2 3.47Å; I196-Y227 VanDerWaalsContact CG2-CE2 3.47Å; I196-Y227 CarbonylContact O-C 3.37Å; I196-Y227 WeakPolarHBondContact O-CA 3.22Å; I196-L228 WeakPolarHBondContact O-CB 3.27Å; I196-L228 PolarHBondContact O-N 3.22Å
197V98.6Very high96.9Very high0 Ų014.9 Ų14.90%08%0.08CC..EExtended strand (participates in β ladder)trans-108.6129.5179.9-1760000108Y40 T42 G171 Y172 E173 L228Y40-V197 HydrophobicContact CE1-CG2 3.89Å; Y40-V197 WeakPolarHBondContact OH-CG1 3.49Å; Y40-V197 WeakPolarHBondContact OH-CG2 3.33Å; T42-V197 HydrophobicContact CG2-CG1 4.05Å; T42-V197 VanDerWaalsContact OG1-CG1 3.3Å; T42-V197 WeakPolarHBondContact OG1-CG1 3.17Å; G171-V197 PolarHBondContact O-N 2.73Å; Y172-V197 HydrophobicContact CD1-CB 3.69Å; Y172-V197 HydrophobicContact CD1-CG1 3.77Å; Y172-V197 HydrophobicContact CD1-CG2 4.15Å; Y172-V197 HydrophobicContact CE1-CB 4.02Å; Y172-V197 HydrophobicContact CE1-CG1 3.96Å; Y172-V197 HydrophobicContact CE1-CG2 4.03Å; E173-V197 WeakPolarHBondContact CA-O 3.29Å; E173-V197 PolarHBondContact N-O 3.01Å; V197-L228 HydrophobicContact CG2-CD1 4.33Å
198N98.6Very high96.7Very high0 Ų016.1 Ų16.10%09%0.085CC..EExtended strand (participates in β ladder)trans-126.1119.2169.7-173.9-48000110.3E173 C175 L178 S200 Y227 L228 F229 S230E173-N198 HydrophobicContact CB-CB 4.45Å; E173-N198 WeakPolarHBondContact O-CA 3.27Å; C175-N198 PolarHBondContact N-OD1 3.14Å; C175-N198 PolarHBondContact O-ND2 3.41Å; L178-N198 WeakPolarHBondContact CB-ND2 3.45Å; N198-S200 PolarHBondContact OD1-OG 3.44Å; N198-Y227 HydrophobicContact CB-CE1 3.6Å; N198-Y227 VanDerWaalsContact CB-OH 3.3Å; N198-Y227 WeakPolarHBondContact CB-OH 3.41Å; N198-Y227 PolarHBondContact ND2-OH 3.21Å; N198-L228 PolarHBondContact N-O 3.01Å; N198-F229 HydrophobicContact CB-CD2 4.09Å; N198-F229 CarbonylContact O-C 3.5Å; N198-F229 WeakPolarHBondContact O-CA 3.29Å; N198-S230 PolarHBondContact O-N 2.96Å
199S98.4Very high96.4Very high0 Ų016.3 Ų16.30%09%0.086CC..EExtended strand (participates in β ladder)trans-101.8130.4168.8-56.40000109.4G43 R100 C175 S230G43-S199 WeakPolarHBondContact O-CB 3.26Å; G43-S199 PolarHBondContact O-OG 3.35Å; R100-S199 PolarHBondContact NE-OG 2.92Å; R100-S199 VanDerWaalsContact NE-OG 3.09Å; R100-S199 PolarHBondContact NH1-OG 3.09Å; R100-S199 PolarHBondContact NH2-OG 2.9Å; C175-S199 PolarHBondContact N-O 3.34Å; S199-S230 CarbonylContact C-O 3.59Å; S199-S230 WeakPolarHBondContact CA-O 3.23Å
200S98.1Very high96.2Very high0 Ų020.2 Ų20.20%010%0.104CC..EExtended strand (participates in β ladder)trans-129.6152.4-173.5-74.80000113.4E45 C175 N198 F229 S230 N231E45-S200 PolarHBondContact N-O 3.41Å; E45-S200 VanDerWaalsContact N-O 3.15Å; C175-S200 WeakPolarHBondContact CA-OG 3.29Å; N198-S200 PolarHBondContact OD1-OG 3.44Å; S200-F229 WeakPolarHBondContact OG-CE2 3.16Å; S200-S230 PolarHBondContact N-O 3.39Å; S200-N231 PolarHBondContact O-OD1 3.02Å; S200-N231 VanDerWaalsContact O-OD1 3.1Å
201G96.5Very high96.1Very high0 Ų020.8 Ų20.80%011%0.107CC..  trans-114.760.1160.400000110.5E45 Y123 F242E45-G201 PolarHBondContact OE2-N 3.09Å; E45-G201 VanDerWaalsContact OE2-N 3.08Å; Y123-G201 PolarHBondContact OH-O 2.78Å; G201-F242 VanDerWaalsContact O-CE1 3.3Å; G201-F242 WeakPolarHBondContact O-CE1 3.34Å
202S95.9Very high95.9Very high11 Ų1120.4 Ų20.48%0.07710%0.103CC..PPolyproline II helixtrans-90.9121.4-174.3-162.50000112.2N231 N243S202-N231 PolarHBondContact N-OD1 3.1Å; S202-N231 PolarHBondContact O-ND2 2.87Å; S202-N231 VanDerWaalsContact O-ND2 3.1Å; S202-N243 PolarHBondContact O-N 3.29Å; S202-N243 PolarHBondContact O-OD1 2.74Å
203Y96Very high95.8Very high15 Ų1519.5 Ų19.56%0.0599%0.092CC..BIsolated β-bridgetrans-88.1160.1-179.263.5-108.7000114.4N122 Y123 E205 V240 Y241 H659N122-Y203 HydrophobicContact CB-CE1 3.76Å; N122-Y203 PolarHBondContact N-OH 3.43Å; N122-Y203 PolarHBondContact ND2-OH 3Å; N122-Y203 VanDerWaalsContact ND2-OH 3.08Å; Y123-Y203 HydrophobicContact CD1-CE1 4.24Å; Y123-Y203 AromaticContact CD2-CE1 3.94Å; Y123-Y203 HydrophobicContact CD2-CE1 3.94Å; Y123-Y203 AromaticContact CE1-CD1 3.72Å; Y123-Y203 HydrophobicContact CE1-CD1 3.72Å; Y123-Y203 AromaticContact CE1-CE1 3.69Å; Y123-Y203 HydrophobicContact CE1-CE1 3.69Å; Y123-Y203 HydrophobicContact CE2-CD1 4.06Å; Y123-Y203 AromaticContact CE2-CE1 3.35Å; Y123-Y203 HydrophobicContact CE2-CE1 3.35Å; Y123-Y203 AromaticContact CE2-CZ 3.95Å; Y123-Y203 HydrophobicContact CG-CE1 4.36Å; Y123-Y203 AromaticContact CZ-CD1 3.43Å; Y123-Y203 VanDerWaalsContact CZ-CD1 3.43Å; Y123-Y203 AromaticContact CZ-CE1 3.22Å; Y123-Y203 VanDerWaalsContact OH-CD1 3.26Å; Y123-Y203 WeakPolarHBondContact OH-CD1 3.47Å; Y123-Y203 WeakPolarHBondContact OH-CE1 3.3Å; Y203-E205 HydrophobicContact CD2-CG 4.05Å; Y203-E205 HydrophobicContact CE2-CG 3.63Å; Y203-V240 HydrophobicContact CD1-CG1 3.99Å; Y203-V240 HydrophobicContact CD2-CG1 4.45Å; Y203-V240 HydrophobicContact CG-CB 4.25Å; Y203-V240 HydrophobicContact CG-CG1 3.95Å; Y203-Y241 CarbonylContact C-O 3.57Å; Y203-Y241 WeakPolarHBondContact CA-O 3.24Å; Y203-H659 AromaticContact CD2-CD2 3.71Å; Y203-H659 AromaticContact CE2-CD2 3.39Å; Y203-H659 WeakPolarHBondContact CE2-CD2 3.45Å; Y203-H659 AromaticContact CE2-NE2 3.56Å
204M94.9Very high95.7Very high3 Ų321.9 Ų21.92%0.01510%0.104CC..PPolyproline II helixtrans-69.4131.8176.776.4176.5-72.400112.1Y241 N243 F261M204-Y241 HydrophobicContact CG-CD1 4.32Å; M204-Y241 PolarHBondContact N-O 2.94Å; M204-Y241 HydrophobicContact SD-CD1 3.8Å; M204-Y241 HydrophobicContact SD-CG 4.15Å; M204-N243 HydrophobicContact CB-CB 3.9Å; M204-F261 HydrophobicContact CE-CE1 3.85Å; M204-F261 HydrophobicContact CE-CZ 3.96Å; M204-F261 HydrophobicContact SD-CE1 3.87Å
205E95.1Very high95.6Very high37 Ų3723.1 Ų23.117%0.17311%0.111CC..  trans-127.7134.2160.8-69.4-174.994.300108.4Y203 R207 K208 A660 S662Y203-E205 HydrophobicContact CD2-CG 4.05Å; Y203-E205 HydrophobicContact CE2-CG 3.63Å; E205-R207 PolarHBondContact O-N 3.47Å; E205-K208 HydrophobicContact CB-CB 3.99Å; E205-K208 HydrophobicContact CB-CD 3.62Å; E205-K208 HydrophobicContact CB-CG 4.2Å; E205-K208 HydrophobicContact CG-CD 4.22Å; E205-K208 PolarHBondContact O-N 2.82Å; E205-K208 IonicContact OE1-NZ 2.96Å; E205-K208 PolarHBondContact OE1-NZ 3.08Å; E205-K208 WeakPolarHBondContact OE2-CD 3.08Å; E205-K208 WeakPolarHBondContact OE2-CE 3.26Å; E205-K208 IonicContact OE2-NZ 2.68Å; E205-K208 PolarHBondContact OE2-NZ 3.25Å; E205-A660 CarbonylContact C-O 3.57Å; E205-A660 WeakPolarHBondContact CA-O 3.39Å; E205-S662 WeakPolarHBondContact OE1-CB 3.46Å
206L95.4Very high95.5Very high5 Ų523.1 Ų23.13%0.02611%0.111CC..THydrogen-bonded Turntrans-62.4124.4-171-167.464.9000110.6K208 E331 I332 A660L206-K208 VanDerWaalsContact C-N 3.29Å; L206-K208 PolarHBondContact O-N 2.96Å; L206-E331 HydrophobicContact CD1-CB 3.58Å; L206-I332 HydrophobicContact CD1-CD1 4.46Å; L206-I332 HydrophobicContact CD1-CG1 3.89Å; L206-I332 HydrophobicContact CD2-CD1 4.04Å; L206-I332 HydrophobicContact CD2-CG1 4.15Å; L206-A660 HydrophobicContact CB-CB 4.35Å; L206-A660 PolarHBondContact N-O 2.9Å
207R95.2Very high95.4Very high76 Ų7628.2 Ų28.229%0.28713%0.13SC..THydrogen-bonded Turntrans75-2.2-176-45.9171.1-152.680.1-5.9115.8E205 H210 P328 E331 D546 E661E205-R207 PolarHBondContact O-N 3.47Å; R207-H210 PolarHBondContact O-CE1 3.08Å; R207-H210 PolarHBondContact O-ND1 2.88Å; R207-P328 HydrophobicContact CG-CB 4.17Å; R207-P328 HydrophobicContact CG-CG 3.95Å; R207-E331 WeakPolarHBondContact CA-OE2 3.49Å; R207-E331 PolarHBondContact N-OE2 3.25Å; R207-D546 IonicContact CZ-OD1 2.67Å; R207-D546 IonicContact NH2-OD1 3.81Å; R207-D546 PolarHBondContact NH2-OD1 2.88Å; R207-D546 IonicContact NH2-OD2 2.71Å; R207-D546 PolarHBondContact NH2-OD2 2.96Å; R207-E661 IonicContact CZ-OE1 3.84Å; R207-E661 VanDerWaalsContact CZ-OE1 3.23Å; R207-E661 IonicContact NH1-OE1 2.86Å; R207-E661 PolarHBondContact NH1-OE1 3.48Å; R207-E661 IonicContact NH1-OE2 2.98Å; R207-E661 IonicContact NH2-OE1 2.79Å; R207-E661 PolarHBondContact NH2-OE1 3.27Å
208K92.1Very high95.3Very high67 Ų6732.4 Ų32.429%0.29115%0.153SC..  trans-92.4-2.5-174.2-78.8-176168.9179.10115.6E205 L206 H210 I211E205-K208 HydrophobicContact CB-CB 3.99Å; E205-K208 HydrophobicContact CB-CD 3.62Å; E205-K208 HydrophobicContact CB-CG 4.2Å; E205-K208 HydrophobicContact CG-CD 4.22Å; E205-K208 PolarHBondContact O-N 2.82Å; E205-K208 IonicContact OE1-NZ 2.96Å; E205-K208 PolarHBondContact OE1-NZ 3.08Å; E205-K208 WeakPolarHBondContact OE2-CD 3.08Å; E205-K208 WeakPolarHBondContact OE2-CE 3.26Å; E205-K208 IonicContact OE2-NZ 2.68Å; E205-K208 PolarHBondContact OE2-NZ 3.25Å; L206-K208 VanDerWaalsContact C-N 3.29Å; L206-K208 PolarHBondContact O-N 2.96Å; K208-H210 PolarHBondContact O-N 3.07Å; K208-I211 HydrophobicContact CB-CD1 3.97Å; K208-I211 HydrophobicContact CB-CG1 4.47Å; K208-I211 HydrophobicContact CD-CD1 4Å; K208-I211 HydrophobicContact CG-CD1 3.76Å; K208-I211 WeakPolarHBondContact O-CB 3.41Å; K208-I211 WeakPolarHBondContact O-CG1 3.42Å; K208-I211 PolarHBondContact O-N 2.76Å
209A90.3Very high95.2Very high3 Ų332.6 Ų32.63%0.02515%0.154CC..Hα-helixtrans-55.2-24.3179.500000114.4I211 M325A209-I211 VanDerWaalsContact C-N 3.3Å; A209-I211 PolarHBondContact O-N 2.93Å; A209-M325 HydrophobicContact CB-CE 4.09Å; A209-M325 HydrophobicContact CB-SD 4.47Å
210H93.2Very high95.1Very high84 Ų8432.8 Ų32.839%0.38916%0.155SC..Hα-helixtrans-62.4-32.4173.971.1-89.3000113.3R207 K208 T212 S213 D214 M325R207-H210 PolarHBondContact O-CE1 3.08Å; R207-H210 PolarHBondContact O-ND1 2.88Å; K208-H210 PolarHBondContact O-N 3.07Å; H210-T212 VanDerWaalsContact C-N 3.34Å; H210-T212 PolarHBondContact O-N 3.1Å; H210-S213 WeakPolarHBondContact O-CB 3.31Å; H210-S213 PolarHBondContact O-N 3.03Å; H210-D214 IonicContact CD2-OD2 3.69Å; H210-D214 WeakPolarHBondContact O-CB 3.38Å; H210-D214 PolarHBondContact O-N 3.41Å; H210-M325 HydrophobicContact CB-CE 3.99Å; H210-M325 HydrophobicContact CB-SD 4.4Å
211I93.9Very high95.1Very high60 Ų6038.3 Ų38.331%0.30818%0.18SC..Hα-helixtrans-61.5-43.6-177.4-58.8179.2000110.6K208 A209 D214 L215K208-I211 HydrophobicContact CB-CD1 3.97Å; K208-I211 HydrophobicContact CB-CG1 4.47Å; K208-I211 HydrophobicContact CD-CD1 4Å; K208-I211 HydrophobicContact CG-CD1 3.76Å; K208-I211 WeakPolarHBondContact O-CB 3.41Å; K208-I211 WeakPolarHBondContact O-CG1 3.42Å; K208-I211 PolarHBondContact O-N 2.76Å; A209-I211 VanDerWaalsContact C-N 3.3Å; A209-I211 PolarHBondContact O-N 2.93Å; I211-D214 PolarHBondContact O-N 2.92Å; I211-L215 HydrophobicContact CG2-CD1 3.95Å; I211-L215 HydrophobicContact CG2-CG 4.48Å; I211-L215 WeakPolarHBondContact O-CB 3.4Å; I211-L215 WeakPolarHBondContact O-CG 3.43Å; I211-L215 PolarHBondContact O-N 2.72Å
212T92.4Very high94.9Very high9 Ų945.3 Ų45.36%0.05521%0.21CC..Hα-helixtrans-64.8-46177.8-55.80000111.3H210 D214 L215 I216 F229H210-T212 VanDerWaalsContact C-N 3.34Å; H210-T212 PolarHBondContact O-N 3.1Å; T212-D214 VanDerWaalsContact C-N 3.35Å; T212-D214 PolarHBondContact O-N 3.47Å; T212-L215 PolarHBondContact O-N 2.92Å; T212-I216 HydrophobicContact CG2-CD1 3.7Å; T212-I216 WeakPolarHBondContact O-CB 3.28Å; T212-I216 WeakPolarHBondContact O-CD1 3.4Å; T212-I216 VanDerWaalsContact O-CG1 3.25Å; T212-I216 WeakPolarHBondContact O-CG1 3.46Å; T212-I216 PolarHBondContact O-N 2.89Å; T212-I216 VanDerWaalsContact O-N 3.08Å; T212-F229 HydrophobicContact CG2-CD1 4.26Å; T212-F229 HydrophobicContact CG2-CE1 3.59Å; T212-F229 HydrophobicContact CG2-CE2 4.24Å; T212-F229 HydrophobicContact CG2-CZ 3.59Å
213S93.9Very high94.8Very high12 Ų1245.3 Ų45.38%0.08421%0.211CC..Hα-helixtrans-55-49173166.90000111.7H210 R217H210-S213 WeakPolarHBondContact O-CB 3.31Å; H210-S213 PolarHBondContact O-N 3.03Å; S213-R217 WeakPolarHBondContact O-CB 3.5Å; S213-R217 PolarHBondContact O-N 2.7Å
214D96.1Very high94.7Very high50 Ų5044.7 Ų44.727%0.26721%0.209SC..Hα-helixtrans-68.4-36.7-176.8-72.5-25.1000112.7H210 I211 T212 R217 N218H210-D214 IonicContact CD2-OD2 3.69Å; H210-D214 WeakPolarHBondContact O-CB 3.38Å; H210-D214 PolarHBondContact O-N 3.41Å; I211-D214 PolarHBondContact O-N 2.92Å; T212-D214 VanDerWaalsContact C-N 3.35Å; T212-D214 PolarHBondContact O-N 3.47Å; D214-R217 IonicContact OD1-CZ 2.87Å; D214-R217 IonicContact OD1-NE 3.86Å; D214-R217 IonicContact OD1-NH2 3.84Å; D214-R217 PolarHBondContact OD1-NH2 2.86Å; D214-N218 WeakPolarHBondContact O-CB 3.43Å; D214-N218 VanDerWaalsContact O-CG 3.27Å; D214-N218 PolarHBondContact O-N 3.1Å; D214-N218 PolarHBondContact O-ND2 2.98Å
215L96.3Very high94.8Very high48 Ų4844.7 Ų44.725%0.25121%0.209SC..Hα-helixtrans-68.6-47.6175.9-72.9169.8000112.1L178 W179 I211 T212 R217 N218 A219L178-L215 HydrophobicContact CD1-CB 4.21Å; L178-L215 HydrophobicContact CD2-CB 3.87Å; L178-L215 HydrophobicContact CG-CB 4.04Å; W179-L215 VanDerWaalsContact CD1-CD1 3.44Å; W179-L215 HydrophobicContact CD2-CD1 3.86Å; W179-L215 HydrophobicContact CG-CD1 3.78Å; W179-L215 HydrophobicContact CZ2-CD1 4.23Å; W179-L215 VanDerWaalsContact NE1-CD1 3.28Å; I211-L215 HydrophobicContact CG2-CD1 3.95Å; I211-L215 HydrophobicContact CG2-CG 4.48Å; I211-L215 WeakPolarHBondContact O-CB 3.4Å; I211-L215 WeakPolarHBondContact O-CG 3.43Å; I211-L215 PolarHBondContact O-N 2.72Å; T212-L215 PolarHBondContact O-N 2.92Å; L215-R217 VanDerWaalsContact C-N 3.32Å; L215-R217 PolarHBondContact O-N 2.84Å; L215-N218 PolarHBondContact O-N 2.9Å; L215-A219 VanDerWaalsContact O-CB 3.26Å; L215-A219 WeakPolarHBondContact O-CB 3.42Å; L215-A219 PolarHBondContact O-N 3.04Å
216I96.3Very high95Very high0 Ų043 Ų430%020%0.202CC..Hα-helixtrans-60.3-43.7177.6-66.7164.1000110.9L178 T212 S220 Y227 F229 A247 A249 I254L178-I216 HydrophobicContact CD2-CG1 4.34Å; T212-I216 HydrophobicContact CG2-CD1 3.7Å; T212-I216 WeakPolarHBondContact O-CB 3.28Å; T212-I216 WeakPolarHBondContact O-CD1 3.4Å; T212-I216 VanDerWaalsContact O-CG1 3.25Å; T212-I216 WeakPolarHBondContact O-CG1 3.46Å; T212-I216 PolarHBondContact O-N 2.89Å; T212-I216 VanDerWaalsContact O-N 3.08Å; I216-S220 PolarHBondContact O-N 2.81Å; I216-S220 VanDerWaalsContact O-N 3.13Å; I216-S220 PolarHBondContact O-OG 3.21Å; I216-Y227 HydrophobicContact CB-CD1 4.43Å; I216-Y227 HydrophobicContact CG1-CD1 4.24Å; I216-Y227 HydrophobicContact CG1-CE1 4.19Å; I216-Y227 HydrophobicContact CG2-CD1 3.92Å; I216-Y227 HydrophobicContact CG2-CG 4.45Å; I216-F229 HydrophobicContact CD1-CB 3.57Å; I216-F229 HydrophobicContact CD1-CD1 3.66Å; I216-F229 HydrophobicContact CD1-CD2 3.85Å; I216-F229 HydrophobicContact CD1-CE1 4.28Å; I216-F229 HydrophobicContact CD1-CE2 4.42Å; I216-F229 HydrophobicContact CD1-CG 3.43Å; I216-F229 VanDerWaalsContact CD1-CG 3.43Å; I216-F229 HydrophobicContact CG1-CB 4.12Å; I216-F229 HydrophobicContact CG1-CD2 4.15Å; I216-F229 HydrophobicContact CG1-CG 4.13Å; I216-A247 HydrophobicContact CD1-CB 4.3Å; I216-A249 HydrophobicContact CG2-CB 3.64Å; I216-I254 HydrophobicContact CG2-CD1 4.29Å
217R96.5Very high95.1Very high112 Ų11242.9 Ų42.942%0.42320%0.201SC..Hα-helixtrans-62.4-51.3175.6174.815966.7132.91111.9S213 D214 L215 A219 S220 F221 G252S213-R217 WeakPolarHBondContact O-CB 3.5Å; S213-R217 PolarHBondContact O-N 2.7Å; D214-R217 IonicContact OD1-CZ 2.87Å; D214-R217 IonicContact OD1-NE 3.86Å; D214-R217 IonicContact OD1-NH2 3.84Å; D214-R217 PolarHBondContact OD1-NH2 2.86Å; L215-R217 VanDerWaalsContact C-N 3.32Å; L215-R217 PolarHBondContact O-N 2.84Å; R217-A219 VanDerWaalsContact C-N 3.35Å; R217-A219 PolarHBondContact O-N 2.93Å; R217-S220 PolarHBondContact O-N 2.81Å; R217-S220 PolarHBondContact O-OG 3.3Å; R217-S220 VanDerWaalsContact O-OG 3.08Å; R217-F221 WeakPolarHBondContact O-CB 3.44Å; R217-F221 PolarHBondContact O-N 2.79Å; R217-G252 WeakPolarHBondContact CG-O 3.25Å
218N96.4Very high95.3Very high89 Ų8939.3 Ų39.348%0.47619%0.188SC..Hα-helixtrans-67.5-33.9-178.6-77-56.4000112.6D214 L215 K222D214-N218 WeakPolarHBondContact O-CB 3.43Å; D214-N218 VanDerWaalsContact O-CG 3.27Å; D214-N218 PolarHBondContact O-N 3.1Å; D214-N218 PolarHBondContact O-ND2 2.98Å; L215-N218 PolarHBondContact O-N 2.9Å; N218-K222 WeakPolarHBondContact O-CB 3.35Å; N218-K222 PolarHBondContact O-N 3.1Å
219A96.7Very high95.6Very high4 Ų436.1 Ų36.13%0.03317%0.174CC..Hα-helixtrans-62-54.7174.200000111.4L178 H185 L215 R217 F221 A223 Y227L178-A219 HydrophobicContact CD1-CB 3.95Å; H185-A219 VanDerWaalsContact CE1-CB 3.47Å; H185-A219 WeakPolarHBondContact CE1-CB 3.09Å; L215-A219 VanDerWaalsContact O-CB 3.26Å; L215-A219 WeakPolarHBondContact O-CB 3.42Å; L215-A219 PolarHBondContact O-N 3.04Å; R217-A219 VanDerWaalsContact C-N 3.35Å; R217-A219 PolarHBondContact O-N 2.93Å; A219-F221 PolarHBondContact O-N 3.08Å; A219-A223 WeakPolarHBondContact O-CB 3.37Å; A219-A223 PolarHBondContact O-N 2.92Å; A219-Y227 HydrophobicContact CB-CD2 3.78Å; A219-Y227 HydrophobicContact CB-CE2 3.79Å
220S97Very high96Very high3 Ų336 Ų362%0.02117%0.173CC..Hα-helixtrans-63.9-37.9178.756.80000113I216 R217 G224 N251 G252I216-S220 PolarHBondContact O-N 2.81Å; I216-S220 VanDerWaalsContact O-N 3.13Å; I216-S220 PolarHBondContact O-OG 3.21Å; R217-S220 PolarHBondContact O-N 2.81Å; R217-S220 PolarHBondContact O-OG 3.3Å; R217-S220 VanDerWaalsContact O-OG 3.08Å; S220-G224 CarbonylContact O-C 3.47Å; S220-G224 WeakPolarHBondContact O-CA 3.46Å; S220-G224 PolarHBondContact O-N 2.72Å; S220-N251 WeakPolarHBondContact O-CA 3.35Å; S220-G252 PolarHBondContact OG-N 3.04Å
221F96.8Very high96.2Very high117 Ų11732 Ų3251%0.51315%0.154SC..Hα-helixtrans-64.9-61.3174.9-175.5-107.2000112.2R217 A219 A223 G224 N251 Y281R217-F221 WeakPolarHBondContact O-CB 3.44Å; R217-F221 PolarHBondContact O-N 2.79Å; A219-F221 PolarHBondContact O-N 3.08Å; F221-A223 VanDerWaalsContact C-N 3.31Å; F221-A223 PolarHBondContact O-N 2.82Å; F221-G224 PolarHBondContact O-N 2.81Å; F221-N251 WeakPolarHBondContact CD2-O 3.35Å; F221-Y281 WeakPolarHBondContact CD2-OH 3.32Å; F221-Y281 PolarHBondContact O-OH 3.15Å
222K93.3Very high96.5Very high146 Ų14629.2 Ų29.264%0.63514%0.14SC*.Hα-helixtrans-62.3-37.5-173.6-179.4-174.5172.7-170.20112.5N218N218-K222 WeakPolarHBondContact O-CB 3.35Å; N218-K222 PolarHBondContact O-N 3.1Å
223A92.3Very high96.7Very high12 Ų1228.9 Ų28.910%0.09914%0.138CC..Hα-helixtrans-86.2-27.2-178.600000112.6S189 A219 F221 R288S189-A223 PolarHBondContact OG-O 2.91Å; A219-A223 WeakPolarHBondContact O-CB 3.37Å; A219-A223 PolarHBondContact O-N 2.92Å; F221-A223 VanDerWaalsContact C-N 3.31Å; F221-A223 PolarHBondContact O-N 2.82Å; A223-R288 PolarHBondContact O-NE 2.75Å
224G94.9Very high96.9Very high2 Ų228.3 Ų28.32%0.02113%0.134CC..  trans64.1147.8-159.400000111.6S220 F221 R282S220-G224 CarbonylContact O-C 3.47Å; S220-G224 WeakPolarHBondContact O-CA 3.46Å; S220-G224 PolarHBondContact O-N 2.72Å; F221-G224 PolarHBondContact O-N 2.81Å; G224-R282 VanDerWaalsContact O-CZ 3.26Å; G224-R282 PolarHBondContact O-NE 3.38Å; G224-R282 PolarHBondContact O-NH2 2.66Å
225G97.4Very high97Very high2 Ų226 Ų262%0.02112%0.122CC..SBendtrans113.9-178.6-176.200000113.9N251G225-N251 PolarHBondContact N-OD1 2.83Å; G225-N251 PolarHBondContact O-N 3.29Å
226A98.3Very high97.1Very high2 Ų223.8 Ų23.82%0.01711%0.11CC..EExtended strand (participates in β ladder)trans-92.3148.2176.500000111.4E194 L195 I196 A249 L250 I273 I278E194-A226 PolarHBondContact O-N 2.79Å; L195-A226 HydrophobicContact CD2-CB 3.6Å; I196-A226 PolarHBondContact N-O 2.86Å; A226-A249 CarbonylContact C-O 3.25Å; A226-A249 VanDerWaalsContact CA-O 3.22Å; A226-A249 WeakPolarHBondContact CA-O 3.42Å; A226-L250 HydrophobicContact CB-CD1 4.48Å; A226-I273 HydrophobicContact CB-CD1 3.66Å; A226-I278 HydrophobicContact CB-CD1 4.13Å
227Y98.6Very high97.1Very high2 Ų225.9 Ų25.91%0.00813%0.132CC..EExtended strand (participates in β ladder)trans-130.4124.1175.1-159.5-77.5000109.5E173 L178 H185 I196 N198 I216 A219 F229 I248 A249E173-Y227 WeakPolarHBondContact OE1-CE2 3.43Å; E173-Y227 PolarHBondContact OE1-OH 3.01Å; L178-Y227 HydrophobicContact CD1-CE2 4.29Å; L178-Y227 HydrophobicContact CD2-CE1 4.31Å; H185-Y227 HydrophobicContact CB-CE2 4.24Å; I196-Y227 HydrophobicContact CB-CD2 3.83Å; I196-Y227 HydrophobicContact CB-CE2 4.17Å; I196-Y227 HydrophobicContact CB-CG 4.5Å; I196-Y227 HydrophobicContact CG2-CD2 3.67Å; I196-Y227 HydrophobicContact CG2-CE2 3.47Å; I196-Y227 VanDerWaalsContact CG2-CE2 3.47Å; I196-Y227 CarbonylContact O-C 3.37Å; I196-Y227 WeakPolarHBondContact O-CA 3.22Å; N198-Y227 HydrophobicContact CB-CE1 3.6Å; N198-Y227 VanDerWaalsContact CB-OH 3.3Å; N198-Y227 WeakPolarHBondContact CB-OH 3.41Å; N198-Y227 PolarHBondContact ND2-OH 3.21Å; I216-Y227 HydrophobicContact CB-CD1 4.43Å; I216-Y227 HydrophobicContact CG1-CD1 4.24Å; I216-Y227 HydrophobicContact CG1-CE1 4.19Å; I216-Y227 HydrophobicContact CG2-CD1 3.92Å; I216-Y227 HydrophobicContact CG2-CG 4.45Å; A219-Y227 HydrophobicContact CB-CD2 3.78Å; A219-Y227 HydrophobicContact CB-CE2 3.79Å; Y227-F229 HydrophobicContact CD1-CB 4.46Å; Y227-F229 HydrophobicContact CE1-CB 4.41Å; Y227-F229 HydrophobicContact CE1-CD2 4.47Å; Y227-I248 WeakPolarHBondContact O-CA 3.04Å; Y227-A249 PolarHBondContact N-O 2.9Å; Y227-A249 PolarHBondContact O-N 2.78Å
228L98.6Very high96.9Very high1 Ų122.1 Ų22.11%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-118.690.5-167.8-56.2173.7000109.1V7 V9 Y40 L195 I196 V197 N198 I248V7-L228 HydrophobicContact CB-CD1 4.43Å; V7-L228 HydrophobicContact CB-CD2 4.38Å; V7-L228 HydrophobicContact CG2-CD1 4.43Å; V7-L228 HydrophobicContact CG2-CD2 3.63Å; V9-L228 HydrophobicContact CG1-CB 3.89Å; V9-L228 HydrophobicContact CG1-CD2 4.47Å; Y40-L228 HydrophobicContact CD1-CD1 4.08Å; Y40-L228 HydrophobicContact CE1-CD1 3.79Å; L195-L228 HydrophobicContact CB-CD1 4.27Å; I196-L228 WeakPolarHBondContact O-CB 3.27Å; I196-L228 PolarHBondContact O-N 3.22Å; V197-L228 HydrophobicContact CG2-CD1 4.33Å; N198-L228 PolarHBondContact N-O 3.01Å; L228-I248 HydrophobicContact CD2-CB 4.21Å; L228-I248 HydrophobicContact CD2-CD1 4.39Å; L228-I248 HydrophobicContact CD2-CG1 3.81Å; L228-I248 HydrophobicContact CD2-CG2 3.62Å
229F98.5Very high96.9Very high0 Ų018.9 Ų18.90%010%0.1CC..EExtended strand (participates in β ladder)trans-91.8121.5-177.1-174-101.2000110.6W179 N198 S200 T212 I216 Y227 N231 S246 A247W179-F229 AromaticContact CH2-CE2 3.99Å; W179-F229 HydrophobicContact CH2-CE2 3.99Å; W179-F229 HydrophobicContact CH2-CZ 4.23Å; W179-F229 HydrophobicContact CZ3-CE2 4.39Å; N198-F229 HydrophobicContact CB-CD2 4.09Å; N198-F229 CarbonylContact O-C 3.5Å; N198-F229 WeakPolarHBondContact O-CA 3.29Å; S200-F229 WeakPolarHBondContact OG-CE2 3.16Å; T212-F229 HydrophobicContact CG2-CD1 4.26Å; T212-F229 HydrophobicContact CG2-CE1 3.59Å; T212-F229 HydrophobicContact CG2-CE2 4.24Å; T212-F229 HydrophobicContact CG2-CZ 3.59Å; I216-F229 HydrophobicContact CD1-CB 3.57Å; I216-F229 HydrophobicContact CD1-CD1 3.66Å; I216-F229 HydrophobicContact CD1-CD2 3.85Å; I216-F229 HydrophobicContact CD1-CE1 4.28Å; I216-F229 HydrophobicContact CD1-CE2 4.42Å; I216-F229 HydrophobicContact CD1-CG 3.43Å; I216-F229 VanDerWaalsContact CD1-CG 3.43Å; I216-F229 HydrophobicContact CG1-CB 4.12Å; I216-F229 HydrophobicContact CG1-CD2 4.15Å; I216-F229 HydrophobicContact CG1-CG 4.13Å; Y227-F229 HydrophobicContact CD1-CB 4.46Å; Y227-F229 HydrophobicContact CE1-CB 4.41Å; Y227-F229 HydrophobicContact CE1-CD2 4.47Å; F229-N231 HydrophobicContact CD1-CB 4.43Å; F229-N231 HydrophobicContact CE1-CB 3.77Å; F229-N231 HydrophobicContact CZ-CB 4.28Å; F229-S246 CarbonylContact O-C 3.57Å; F229-S246 WeakPolarHBondContact O-CA 3.42Å; F229-S246 VanDerWaalsContact O-CB 3.3Å; F229-S246 WeakPolarHBondContact O-CB 3.33Å; F229-A247 PolarHBondContact N-O 3.1Å; F229-A247 PolarHBondContact O-N 3.35Å
230S98.5Very high96.9Very high0 Ų018.9 Ų18.90%010%0.1CC..EExtended strand (participates in β ladder)trans-120.6127.4174.6-61.20000110.5V9 S10 T42 G43 N198 S199 S200V9-S230 WeakPolarHBondContact CA-OG 3.19Å; V9-S230 VanDerWaalsContact CB-OG 3.31Å; V9-S230 WeakPolarHBondContact CB-OG 3.43Å; S10-S230 PolarHBondContact N-OG 2.87Å; T42-S230 VanDerWaalsContact CG2-OG 3.28Å; T42-S230 WeakPolarHBondContact CG2-OG 3.47Å; G43-S230 VanDerWaalsContact C-CB 3.45Å; G43-S230 WeakPolarHBondContact O-CB 3.35Å; N198-S230 PolarHBondContact O-N 2.96Å; S199-S230 CarbonylContact C-O 3.59Å; S199-S230 WeakPolarHBondContact CA-O 3.23Å; S200-S230 PolarHBondContact N-O 3.39Å
231N98.4Very high97Very high0 Ų018.8 Ų18.80%010%0.099CC..EExtended strand (participates in β ladder)trans-133.8154.2-174.9-170.229.6000111.9T11 P44 S200 S202 F229 N243 G244 S246T11-N231 WeakPolarHBondContact CA-O 3.25Å; P44-N231 VanDerWaalsContact CG-C 3.49Å; P44-N231 WeakPolarHBondContact CG-O 3.49Å; S200-N231 PolarHBondContact O-OD1 3.02Å; S200-N231 VanDerWaalsContact O-OD1 3.1Å; S202-N231 PolarHBondContact N-OD1 3.1Å; S202-N231 PolarHBondContact O-ND2 2.87Å; S202-N231 VanDerWaalsContact O-ND2 3.1Å; F229-N231 HydrophobicContact CD1-CB 4.43Å; F229-N231 HydrophobicContact CE1-CB 3.77Å; F229-N231 HydrophobicContact CZ-CB 4.28Å; N231-N243 PolarHBondContact ND2-OD1 2.69Å; N231-G244 VanDerWaalsContact CB-O 3.29Å; N231-G244 WeakPolarHBondContact CB-O 3.34Å; N231-G244 PolarHBondContact ND2-O 2.91Å; N231-S246 PolarHBondContact N-OG 2.6Å; N231-S246 PolarHBondContact O-OG 3.22Å
232L98.5Very high97Very high2 Ų213.4 Ų13.41%0.018%0.075CC..BIsolated β-bridgetrans-64.8157.3170.4-70.2174.7000110.6L12 Q14 P44 F242 G244L12-L232 WeakPolarHBondContact O-CA 3.28Å; L12-L232 WeakPolarHBondContact O-CD2 3.45Å; Q14-L232 HydrophobicContact CB-CD2 3.84Å; Q14-L232 HydrophobicContact CG-CD2 3.59Å; P44-L232 HydrophobicContact CB-CB 4.45Å; P44-L232 HydrophobicContact CB-CD2 3.6Å; P44-L232 HydrophobicContact CB-CG 3.69Å; P44-L232 HydrophobicContact CG-CD2 4.01Å; P44-L232 HydrophobicContact CG-CG 4.42Å; L232-F242 VanDerWaalsContact C-CB 3.44Å; L232-F242 HydrophobicContact CB-CB 3.52Å; L232-F242 HydrophobicContact CB-CD1 3.93Å; L232-F242 HydrophobicContact CB-CD2 4.15Å; L232-F242 HydrophobicContact CB-CG 3.58Å; L232-F242 HydrophobicContact CD1-CD1 4.17Å; L232-F242 HydrophobicContact CD1-CD2 4.27Å; L232-F242 HydrophobicContact CD1-CE1 4.2Å; L232-F242 HydrophobicContact CD1-CE2 4.34Å; L232-F242 HydrophobicContact CD1-CG 4.21Å; L232-F242 HydrophobicContact CD1-CZ 4.29Å; L232-F242 VanDerWaalsContact O-CB 3.24Å; L232-F242 WeakPolarHBondContact O-CB 3.27Å; L232-G244 VanDerWaalsContact O-CA 3.32Å; L232-G244 WeakPolarHBondContact O-CA 3.12Å; L232-G244 PolarHBondContact O-N 2.81Å
233R98.2Very high96.9Very high3 Ų36.8 Ų6.81%0.0115%0.047CC..EExtended strand (participates in β ladder)trans-140.5128.5164.6-178.6-179.862.4-140.1-4111T11 L12 N13 Y241 F242 Q259 Q264 E267T11-R233 HydrophobicContact CG2-CB 3.52Å; L12-R233 PolarHBondContact O-N 3.39Å; N13-R233 WeakPolarHBondContact CA-O 3.49Å; N13-R233 WeakPolarHBondContact CB-O 3.5Å; N13-R233 PolarHBondContact OD1-O 2.64Å; R233-Y241 HydrophobicContact CG-CE1 4.32Å; R233-Y241 VanDerWaalsContact CG-OH 3.31Å; R233-Y241 WeakPolarHBondContact CG-OH 3.35Å; R233-F242 VanDerWaalsContact CA-O 3.26Å; R233-F242 WeakPolarHBondContact CA-O 3.46Å; R233-Q259 PolarHBondContact NH1-O 3.39Å; R233-Q264 PolarHBondContact NH2-O 3.08Å; R233-E267 IonicContact CZ-OE2 3.12Å; R233-E267 IonicContact NH1-OE2 2.74Å; R233-E267 PolarHBondContact NH1-OE2 2.74Å; R233-E267 IonicContact NH2-OE2 2.73Å
234G98.3Very high97Very high0 Ų06.2 Ų6.20%04%0.042CC..EExtended strand (participates in β ladder)trans124.6-167.6179.100000114.2N13 Y241 F242 D342N13-G234 WeakPolarHBondContact OD1-CA 3.3Å; G234-Y241 VanDerWaalsContact CA-CE2 3.41Å; G234-Y241 CarbonylContact O-C 3.52Å; G234-Y241 WeakPolarHBondContact O-CA 3.32Å; G234-F242 PolarHBondContact N-O 3.11Å; G234-F242 WeakPolarHBondContact O-CD2 3.26Å; G234-F242 PolarHBondContact O-N 3.01Å; G234-D342 WeakPolarHBondContact CA-OD2 3.41Å
235C98.1Very high97.1Very high2 Ų26.2 Ų6.21%0.0144%0.042CC..  trans-106.4100.7174.9177.90000110.6G237 Q238 W339 D342 R346C235-G237 PolarHBondContact O-N 2.78Å; C235-G237 VanDerWaalsContact O-N 3.08Å; C235-Q238 PolarHBondContact SG-O 2.54Å; C235-W339 HydrophobicContact CB-CG 4.42Å; C235-W339 PolarHBondContact SG-NE1 3.22Å; C235-W339 VanDerWaalsContact SG-NE1 3.37Å; C235-D342 HydrophobicContact CB-CB 3.55Å; C235-D342 PolarHBondContact N-OD2 2.81Å; C235-R346 PolarHBondContact O-NH1 3.13Å
236D97.7Very high97.1Very high1 Ų16.1 Ų6.11%0.0054%0.041CC..SBendtrans-78.917.4-177.478.2-18.4000114.6Q14 A16 S52 F242Q14-D236 WeakPolarHBondContact O-CA 3.46Å; Q14-D236 WeakPolarHBondContact O-CB 3.26Å; A16-D236 VanDerWaalsContact CB-O 3.3Å; A16-D236 WeakPolarHBondContact CB-O 3.43Å; A16-D236 PolarHBondContact N-O 3.31Å; S52-D236 VanDerWaalsContact CB-OD1 3.26Å; S52-D236 WeakPolarHBondContact CB-OD1 3.44Å; S52-D236 WeakPolarHBondContact CB-OD2 3.24Å; S52-D236 PolarHBondContact N-OD2 2.9Å; S52-D236 PolarHBondContact OG-OD1 2.95Å; S52-D236 PolarHBondContact OG-OD2 2.92Å; D236-F242 HydrophobicContact CB-CE2 4.06Å; D236-F242 VanDerWaalsContact CG-CE2 3.42Å; D236-F242 WeakPolarHBondContact OD1-CE2 3.37Å
237G95.7Very high97.1Very high44 Ų446 Ų645%0.4544%0.04SC..SBendtrans112-9-175.600000114.2C235C235-G237 PolarHBondContact O-N 2.78Å; C235-G237 VanDerWaalsContact O-N 3.08Å
238Q93.5Very high97.1Very high33 Ų335.9 Ų5.915%0.1544%0.039CC..SBendtrans-106.7172.8176.9-80.2-145.441.200115.1E54 C235 V240 W339E54-Q238 VanDerWaalsContact CD-NE2 3.29Å; E54-Q238 PolarHBondContact OE1-NE2 3.1Å; C235-Q238 PolarHBondContact SG-O 2.54Å; Q238-V240 HydrophobicContact CB-CG2 3.96Å; Q238-V240 PolarHBondContact O-N 2.91Å; Q238-W339 PolarHBondContact O-NE1 2.73Å; Q238-W339 VanDerWaalsContact O-NE1 3.08Å
239R95.9Very high97.1Very high20 Ų205.9 Ų5.98%0.0754%0.039CC..SBendtrans-71-3.6175.779.1-161.1-160.498.7-3.7114.6N122 S657 V658 H659 D666N122-R239 PolarHBondContact OD1-NE 2.9Å; N122-R239 PolarHBondContact OD1-NH2 3.02Å; R239-S657 PolarHBondContact NH1-O 3.05Å; R239-V658 CarbonylContact O-C 3.58Å; R239-V658 VanDerWaalsContact O-CA 3.32Å; R239-V658 WeakPolarHBondContact O-CA 3.34Å; R239-H659 PolarHBondContact O-N 2.96Å; R239-D666 IonicContact CZ-OD1 2.69Å; R239-D666 IonicContact NE-OD1 3.18Å; R239-D666 IonicContact NH1-OD1 3.99Å; R239-D666 IonicContact NH2-OD1 3.67Å; R239-D666 PolarHBondContact NH2-OD1 2.82Å
240V97.3Very high97.1Very high5 Ų56.2 Ų6.23%0.034%0.041CC..  trans-87.4154.8173.1-69.50000109.4N122 Y203 Q238 F242 H659N122-V240 HydrophobicContact CB-CG1 4.45Å; Y203-V240 HydrophobicContact CD1-CG1 3.99Å; Y203-V240 HydrophobicContact CD2-CG1 4.45Å; Y203-V240 HydrophobicContact CG-CB 4.25Å; Y203-V240 HydrophobicContact CG-CG1 3.95Å; Q238-V240 HydrophobicContact CB-CG2 3.96Å; Q238-V240 PolarHBondContact O-N 2.91Å; V240-F242 HydrophobicContact CG2-CE2 3.8Å; V240-F242 HydrophobicContact CG2-CZ 3.8Å; V240-H659 HydrophobicContact CG1-CB 4.14Å
241Y98.1Very high97Very high1 Ų16.8 Ų6.80%0.0044%0.044CC..  trans-120122.2167.2177.5-87.6000107.5Y203 M204 R233 G234 F261 C338 W339Y203-Y241 CarbonylContact C-O 3.57Å; Y203-Y241 WeakPolarHBondContact CA-O 3.24Å; M204-Y241 HydrophobicContact CG-CD1 4.32Å; M204-Y241 PolarHBondContact N-O 2.94Å; M204-Y241 HydrophobicContact SD-CD1 3.8Å; M204-Y241 HydrophobicContact SD-CG 4.15Å; R233-Y241 HydrophobicContact CG-CE1 4.32Å; R233-Y241 VanDerWaalsContact CG-OH 3.31Å; R233-Y241 WeakPolarHBondContact CG-OH 3.35Å; G234-Y241 VanDerWaalsContact CA-CE2 3.41Å; G234-Y241 CarbonylContact O-C 3.52Å; G234-Y241 WeakPolarHBondContact O-CA 3.32Å; Y241-F261 HydrophobicContact CD1-CD1 4.14Å; Y241-F261 HydrophobicContact CD1-CE1 4.18Å; Y241-F261 AromaticContact CE1-CD1 3.48Å; Y241-F261 HydrophobicContact CE1-CD1 3.48Å; Y241-F261 VanDerWaalsContact CE1-CD1 3.48Å; Y241-F261 AromaticContact CE1-CE1 3.95Å; Y241-F261 HydrophobicContact CE1-CE1 3.95Å; Y241-C338 HydrophobicContact CD2-CB 4.32Å; Y241-C338 HydrophobicContact CE2-CB 3.36Å; Y241-C338 WeakPolarHBondContact OH-CB 3.19Å; Y241-W339 HydrophobicContact CD2-CB 3.86Å; Y241-W339 HydrophobicContact CG-CB 4.39Å
242F98.1Very high97Very high3 Ų37.1 Ų7.11%0.0135%0.048CC..EExtended strand (participates in β ladder)trans-74.1133.6177.1-61.2-87.3000109.8Y51 G201 L232 R233 G234 D236 V240 G244Y51-F242 HydrophobicContact CD1-CE1 4.18Å; Y51-F242 HydrophobicContact CD1-CZ 4.07Å; G201-F242 VanDerWaalsContact O-CE1 3.3Å; G201-F242 WeakPolarHBondContact O-CE1 3.34Å; L232-F242 VanDerWaalsContact C-CB 3.44Å; L232-F242 HydrophobicContact CB-CB 3.52Å; L232-F242 HydrophobicContact CB-CD1 3.93Å; L232-F242 HydrophobicContact CB-CD2 4.15Å; L232-F242 HydrophobicContact CB-CG 3.58Å; L232-F242 HydrophobicContact CD1-CD1 4.17Å; L232-F242 HydrophobicContact CD1-CD2 4.27Å; L232-F242 HydrophobicContact CD1-CE1 4.2Å; L232-F242 HydrophobicContact CD1-CE2 4.34Å; L232-F242 HydrophobicContact CD1-CG 4.21Å; L232-F242 HydrophobicContact CD1-CZ 4.29Å; L232-F242 VanDerWaalsContact O-CB 3.24Å; L232-F242 WeakPolarHBondContact O-CB 3.27Å; R233-F242 VanDerWaalsContact CA-O 3.26Å; R233-F242 WeakPolarHBondContact CA-O 3.46Å; G234-F242 PolarHBondContact N-O 3.11Å; G234-F242 WeakPolarHBondContact O-CD2 3.26Å; G234-F242 PolarHBondContact O-N 3.01Å; D236-F242 HydrophobicContact CB-CE2 4.06Å; D236-F242 VanDerWaalsContact CG-CE2 3.42Å; D236-F242 WeakPolarHBondContact OD1-CE2 3.37Å; V240-F242 HydrophobicContact CG2-CE2 3.8Å; V240-F242 HydrophobicContact CG2-CZ 3.8Å; F242-G244 PolarHBondContact O-N 3.45Å
243N90.9Very high96.9Very high7 Ų712.1 Ų12.14%0.0377%0.071CC..EExtended strand (participates in β ladder)trans-94.113.9-163.874.7-11.2000114.7S202 M204 N231 C245 Q260S202-N243 PolarHBondContact O-N 3.29Å; S202-N243 PolarHBondContact O-OD1 2.74Å; M204-N243 HydrophobicContact CB-CB 3.9Å; N231-N243 PolarHBondContact ND2-OD1 2.69Å; N243-C245 PolarHBondContact O-N 3.11Å; N243-C245 VanDerWaalsContact O-N 3.14Å; N243-Q260 CarbonylContact C-O 3.52Å; N243-Q260 HydrophobicContact CB-CG 4.25Å; N243-Q260 CarbonylContact O-C 3.53Å; N243-Q260 VanDerWaalsContact O-CA 3.23Å; N243-Q260 WeakPolarHBondContact O-CA 3.5Å; N243-Q260 WeakPolarHBondContact O-CG 3.21Å; N243-Q260 VanDerWaalsContact O-O 3.07Å
244G94.5Very high96.9Very high0 Ų012.4 Ų12.40%07%0.073CC..  trans53.4-120.7-17800000111.4N231 L232 F242 S246N231-G244 VanDerWaalsContact CB-O 3.29Å; N231-G244 WeakPolarHBondContact CB-O 3.34Å; N231-G244 PolarHBondContact ND2-O 2.91Å; L232-G244 VanDerWaalsContact O-CA 3.32Å; L232-G244 WeakPolarHBondContact O-CA 3.12Å; L232-G244 PolarHBondContact O-N 2.81Å; F242-G244 PolarHBondContact O-N 3.45Å; G244-S246 PolarHBondContact O-N 3.2Å; G244-S246 VanDerWaalsContact O-N 3.14Å
245C96.6Very high96.9Very high2 Ų213 Ų131%0.0148%0.076CC..  trans56.626.3-179-76.60000114N243 A247 S258 Q260 W323N243-C245 PolarHBondContact O-N 3.11Å; N243-C245 VanDerWaalsContact O-N 3.14Å; C245-A247 PolarHBondContact O-N 2.81Å; C245-S258 PolarHBondContact N-OG 3.4Å; C245-Q260 VanDerWaalsContact SG-CB 3.55Å; C245-W323 HydrophobicContact CB-CH2 3.96Å; C245-W323 HydrophobicContact CB-CZ2 3.85Å
246S97.9Very high96.9Very high0 Ų013.4 Ų13.40%08%0.08CC..  trans-49.5130.2163.5-53.50000109.1T11 F229 N231 G244 R257 S258T11-S246 WeakPolarHBondContact OG1-CB 3.21Å; T11-S246 PolarHBondContact OG1-OG 3.42Å; F229-S246 CarbonylContact O-C 3.57Å; F229-S246 WeakPolarHBondContact O-CA 3.42Å; F229-S246 VanDerWaalsContact O-CB 3.3Å; F229-S246 WeakPolarHBondContact O-CB 3.33Å; N231-S246 PolarHBondContact N-OG 2.6Å; N231-S246 PolarHBondContact O-OG 3.22Å; G244-S246 PolarHBondContact O-N 3.2Å; G244-S246 VanDerWaalsContact O-N 3.14Å; S246-R257 CarbonylContact O-C 3.58Å; S246-R257 WeakPolarHBondContact O-CA 3.18Å; S246-S258 PolarHBondContact N-OG 3.23Å; S246-S258 PolarHBondContact O-N 2.9Å; S246-S258 PolarHBondContact O-OG 3.14Å
247A98.1Very high96.8Very high0 Ų015.2 Ų15.20%09%0.086CC..EExtended strand (participates in β ladder)trans-145152.2-165.400000112I216 F229 C245 A256 R257 W323I216-A247 HydrophobicContact CD1-CB 4.3Å; F229-A247 PolarHBondContact N-O 3.1Å; F229-A247 PolarHBondContact O-N 3.35Å; C245-A247 PolarHBondContact O-N 2.81Å; A247-A256 VanDerWaalsContact CA-O 3.32Å; A247-A256 WeakPolarHBondContact CA-O 3.13Å; A247-R257 HydrophobicContact CB-CG 4.09Å; A247-W323 HydrophobicContact CB-CH2 4.28Å; A247-W323 HydrophobicContact CB-CZ3 3.72Å
248I98.5Very high96.9Very high0 Ų013.2 Ų13.20%07%0.065CC..EExtended strand (participates in β ladder)trans-120.1123.4172.8-60167.4000107.8V7 V9 Y227 L228 L255 A256 A271 I273V7-I248 HydrophobicContact CG2-CD1 4.33Å; V9-I248 HydrophobicContact CB-CG1 4.45Å; V9-I248 HydrophobicContact CG1-CD1 4.31Å; V9-I248 HydrophobicContact CG1-CG1 3.78Å; V9-I248 HydrophobicContact CG2-CD1 4.1Å; V9-I248 HydrophobicContact CG2-CG1 3.82Å; Y227-I248 WeakPolarHBondContact O-CA 3.04Å; L228-I248 HydrophobicContact CD2-CB 4.21Å; L228-I248 HydrophobicContact CD2-CD1 4.39Å; L228-I248 HydrophobicContact CD2-CG1 3.81Å; L228-I248 HydrophobicContact CD2-CG2 3.62Å; I248-L255 PolarHBondContact O-N 3.01Å; I248-A256 PolarHBondContact N-O 3.05Å; I248-A256 PolarHBondContact O-N 3.06Å; I248-A271 HydrophobicContact CB-CB 4.06Å; I248-A271 HydrophobicContact CD1-CB 3.78Å; I248-A271 VanDerWaalsContact CD1-N 3.32Å; I248-A271 HydrophobicContact CG2-CB 3.65Å; I248-I273 HydrophobicContact CG2-CD1 3.95Å
249A98.3Very high97Very high0 Ų016.1 Ų16.10%08%0.079CC..EExtended strand (participates in β ladder)trans-121.4155.5177.400000111.5I216 A226 Y227 E253 I254I216-A249 HydrophobicContact CG2-CB 3.64Å; A226-A249 CarbonylContact C-O 3.25Å; A226-A249 VanDerWaalsContact CA-O 3.22Å; A226-A249 WeakPolarHBondContact CA-O 3.42Å; Y227-A249 PolarHBondContact N-O 2.9Å; Y227-A249 PolarHBondContact O-N 2.78Å; A249-E253 CarbonylContact C-O 3.57Å; A249-E253 WeakPolarHBondContact CA-O 3.27Å; A249-E253 WeakPolarHBondContact CB-O 3.4Å; A249-I254 HydrophobicContact CB-CD1 3.85Å
250L98.2Very high97.1Very high7 Ų715.2 Ų15.24%0.0378%0.076CC..EExtended strand (participates in β ladder)trans-144.3120.6-179.4175.162.2000109.3A226 G252 E253 L255 I273 E277 I278A226-L250 HydrophobicContact CB-CD1 4.48Å; L250-G252 PolarHBondContact O-N 2.77Å; L250-E253 PolarHBondContact N-O 3.43Å; L250-E253 PolarHBondContact O-N 2.79Å; L250-L255 HydrophobicContact CB-CD1 3.75Å; L250-L255 HydrophobicContact CB-CD2 4.22Å; L250-L255 HydrophobicContact CB-CG 3.99Å; L250-L255 HydrophobicContact CD2-CD1 3.99Å; L250-I273 HydrophobicContact CD1-CG2 3.99Å; L250-I273 HydrophobicContact CD2-CG2 4.07Å; L250-E277 WeakPolarHBondContact CD2-OE1 3.39Å; L250-I278 HydrophobicContact CD1-CD1 4.01Å; L250-I278 HydrophobicContact CD1-CG1 3.5Å; L250-I278 VanDerWaalsContact CD1-CG1 3.5Å
251N97.4Very high97.1Very high12 Ų1215.5 Ų15.56%0.0648%0.076CC..THydrogen-bonded Turntrans54.118173.1-60-37.1000115.8S220 F221 G225 E277 Y281S220-N251 WeakPolarHBondContact O-CA 3.35Å; F221-N251 WeakPolarHBondContact CD2-O 3.35Å; G225-N251 PolarHBondContact N-OD1 2.83Å; G225-N251 PolarHBondContact O-N 3.29Å; N251-E277 PolarHBondContact ND2-OE1 3.02Å; N251-Y281 HydrophobicContact CB-CD1 4.3Å; N251-Y281 HydrophobicContact CB-CD2 3.82Å; N251-Y281 HydrophobicContact CB-CE1 4.37Å; N251-Y281 HydrophobicContact CB-CE2 3.88Å; N251-Y281 HydrophobicContact CB-CG 4.04Å
252G96.5Very high97Very high8 Ų815.8 Ų15.88%0.0828%0.079CC..THydrogen-bonded Turntrans107.1-8.5-176.200000115.8R217 S220 L250R217-G252 WeakPolarHBondContact CG-O 3.25Å; S220-G252 PolarHBondContact OG-N 3.04Å; L250-G252 PolarHBondContact O-N 2.77Å
253E97.5Very high97Very high106 Ų10616 Ų1650%0.4958%0.08SC..EExtended strand (participates in β ladder)trans-95.9142172.2-67.2-57.8150.800111A249 L250 P320A249-E253 CarbonylContact C-O 3.57Å; A249-E253 WeakPolarHBondContact CA-O 3.27Å; A249-E253 WeakPolarHBondContact CB-O 3.4Å; L250-E253 PolarHBondContact N-O 3.43Å; L250-E253 PolarHBondContact O-N 2.79Å; E253-P320 HydrophobicContact CB-CB 4.07Å; E253-P320 HydrophobicContact CB-CG 3.94Å; E253-P320 HydrophobicContact CG-CB 4.27Å; E253-P320 HydrophobicContact CG-CG 3.95Å
254I97.8Very high97.2Very high9 Ų918.1 Ų18.15%0.0469%0.09CC..EExtended strand (participates in β ladder)trans-84.5127.5168.7-54.6-58.9000107.5I216 A249 P320 L321 W323I216-I254 HydrophobicContact CG2-CD1 4.29Å; A249-I254 HydrophobicContact CB-CD1 3.85Å; I254-P320 CarbonylContact O-C 3.57Å; I254-P320 VanDerWaalsContact O-CA 3.31Å; I254-P320 WeakPolarHBondContact O-CA 3.4Å; I254-L321 PolarHBondContact O-N 2.81Å; I254-W323 HydrophobicContact CD1-CE3 4.35Å; I254-W323 HydrophobicContact CG1-CE3 4.19Å; I254-W323 HydrophobicContact CG2-CE3 4.23Å
255L98Very high97.3Very high12 Ų1219.2 Ų19.26%0.06310%0.096CC..EExtended strand (participates in β ladder)trans-96-36.4178.3-55.5-171.1000112.4I248 L250 A271 I273 T318I248-L255 PolarHBondContact O-N 3.01Å; L250-L255 HydrophobicContact CB-CD1 3.75Å; L250-L255 HydrophobicContact CB-CD2 4.22Å; L250-L255 HydrophobicContact CB-CG 3.99Å; L250-L255 HydrophobicContact CD2-CD1 3.99Å; L255-A271 HydrophobicContact CB-CB 3.99Å; L255-A271 HydrophobicContact CD1-CB 4.07Å; L255-I273 HydrophobicContact CD1-CD1 4.37Å; L255-I273 HydrophobicContact CD1-CG1 3.91Å; L255-T318 HydrophobicContact CB-CG2 3.98Å; L255-T318 VanDerWaalsContact O-CG2 3.28Å; L255-T318 WeakPolarHBondContact O-CG2 3.29Å
256A97.6Very high97.4Very high12 Ų1220.1 Ų20.110%0.09910%0.101CC..EExtended strand (participates in β ladder)trans-154.9151.9-177.600000111.3A247 I248 T269 L270A247-A256 VanDerWaalsContact CA-O 3.32Å; A247-A256 WeakPolarHBondContact CA-O 3.13Å; I248-A256 PolarHBondContact N-O 3.05Å; I248-A256 PolarHBondContact O-N 3.06Å; A256-T269 HydrophobicContact CB-CG2 3.5Å; A256-L270 WeakPolarHBondContact CB-O 3.45Å
257R96.9Very high97.4Very high38 Ų3822 Ų2214%0.14311%0.11CC..EExtended strand (participates in β ladder)trans-149.4142.2176-159.7-159.177.8-173.24.3111.6S246 A247 L321 W323 P324S246-R257 CarbonylContact O-C 3.58Å; S246-R257 WeakPolarHBondContact O-CA 3.18Å; A247-R257 HydrophobicContact CB-CG 4.09Å; R257-L321 HydrophobicContact CB-CD2 4.25Å; R257-W323 VanDerWaalsContact CD-CE2 3.48Å; R257-W323 VanDerWaalsContact CD-CZ2 3.49Å; R257-W323 HydrophobicContact CG-CE3 4.06Å; R257-W323 HydrophobicContact CG-CH2 3.95Å; R257-W323 HydrophobicContact CG-CZ2 4.41Å; R257-W323 HydrophobicContact CG-CZ3 3.76Å; R257-P324 PolarHBondContact NH1-O 3.13Å
258S97.3Very high97.4Very high2 Ų222.7 Ų22.71%0.01411%0.114CC..  trans-77.5175.7169720000112.9T11 C245 S246 E267 T269T11-S258 WeakPolarHBondContact OG1-CB 3.49Å; T11-S258 PolarHBondContact OG1-OG 2.86Å; C245-S258 PolarHBondContact N-OG 3.4Å; S246-S258 PolarHBondContact N-OG 3.23Å; S246-S258 PolarHBondContact O-N 2.9Å; S246-S258 PolarHBondContact O-OG 3.14Å; S258-E267 WeakPolarHBondContact CB-OE2 3.15Å; S258-T269 WeakPolarHBondContact CB-OG1 3.2Å; S258-T269 PolarHBondContact N-OG1 3.36Å
259Q96.5Very high97.4Very high94 Ų9423.4 Ų23.444%0.43912%0.119SC..  trans-80.8139.4179.2-68.8171.288.800112.2R233 A262 E267R233-Q259 PolarHBondContact NH1-O 3.39Å; Q259-A262 HydrophobicContact CB-CB 4.09Å; Q259-E267 PolarHBondContact N-OE2 3.1Å; Q259-E267 PolarHBondContact NE2-OE1 3.27Å
260Q96.8Very high97.4Very high2 Ų225.1 Ų25.11%0.00913%0.128CC..SBendtrans-69.8-40179.9-169.8175.4-22.400111.9N243 C245 E331N243-Q260 CarbonylContact C-O 3.52Å; N243-Q260 HydrophobicContact CB-CG 4.25Å; N243-Q260 CarbonylContact O-C 3.53Å; N243-Q260 VanDerWaalsContact O-CA 3.23Å; N243-Q260 WeakPolarHBondContact O-CA 3.5Å; N243-Q260 WeakPolarHBondContact O-CG 3.21Å; N243-Q260 VanDerWaalsContact O-O 3.07Å; C245-Q260 VanDerWaalsContact SG-CB 3.55Å; Q260-E331 PolarHBondContact NE2-OE1 3.08Å
261F97.5Very high97.4Very high10 Ų1024.8 Ų24.84%0.04413%0.126CC..SBendtrans-133.5123.5178.6-49.5-70.9000107.7M204 Y241 E331 L334M204-F261 HydrophobicContact CE-CE1 3.85Å; M204-F261 HydrophobicContact CE-CZ 3.96Å; M204-F261 HydrophobicContact SD-CE1 3.87Å; Y241-F261 HydrophobicContact CD1-CD1 4.14Å; Y241-F261 HydrophobicContact CD1-CE1 4.18Å; Y241-F261 AromaticContact CE1-CD1 3.48Å; Y241-F261 HydrophobicContact CE1-CD1 3.48Å; Y241-F261 VanDerWaalsContact CE1-CD1 3.48Å; Y241-F261 AromaticContact CE1-CE1 3.95Å; Y241-F261 HydrophobicContact CE1-CE1 3.95Å; F261-E331 HydrophobicContact CE2-CB 4.22Å; F261-E331 HydrophobicContact CE2-CG 4Å; F261-E331 HydrophobicContact CZ-CB 4.12Å; F261-E331 HydrophobicContact CZ-CG 4.15Å; F261-L334 HydrophobicContact CB-CB 3.67Å; F261-L334 HydrophobicContact CB-CD1 4.48Å; F261-L334 HydrophobicContact CD1-CB 4.47Å; F261-L334 HydrophobicContact CD2-CB 3.55Å; F261-L334 HydrophobicContact CD2-CD1 3.92Å; F261-L334 HydrophobicContact CD2-CG 4.4Å; F261-L334 HydrophobicContact CE2-CB 4.29Å; F261-L334 HydrophobicContact CG-CB 3.64Å
262A96.9Very high97.4Very high7 Ų725.1 Ų25.16%0.05813%0.129CC..  trans-160.8161.3176.200000109.1Q259 Q264Q259-A262 HydrophobicContact CB-CB 4.09Å; A262-Q264 VanDerWaalsContact CB-OE1 3.26Å
263L97.8Very high97.4Very high8 Ų824.8 Ų24.84%0.04213%0.125CC..SBendtrans-91.7-10.5-178.3-52.3-173000113.3C338 W341 Q375 I376 A379 V387L263-C338 HydrophobicContact CD2-CB 4.37Å; L263-W341 HydrophobicContact CD2-CB 4.22Å; L263-W341 HydrophobicContact CD2-CG 4.02Å; L263-Q375 HydrophobicContact CD1-CB 3.97Å; L263-Q375 HydrophobicContact CD2-CB 4.38Å; L263-Q375 HydrophobicContact CG-CB 4.3Å; L263-I376 HydrophobicContact CD1-CB 4.38Å; L263-I376 HydrophobicContact CD1-CG1 3.8Å; L263-A379 HydrophobicContact CD1-CB 4.21Å; L263-V387 HydrophobicContact CB-CG2 3.73Å; L263-V387 HydrophobicContact CD1-CG1 4.23Å; L263-V387 HydrophobicContact CD1-CG2 4.29Å
264Q95.4Very high97.4Very high52 Ų5220.5 Ų20.524%0.24311%0.105CC..  trans-71.4129.3-178.5-68.268.735.300111.6R233 A262 V266 D384R233-Q264 PolarHBondContact NH2-O 3.08Å; A262-Q264 VanDerWaalsContact CB-OE1 3.26Å; Q264-V266 WeakPolarHBondContact CB-O 3.43Å; Q264-V266 PolarHBondContact O-N 3.17Å; Q264-D384 WeakPolarHBondContact CG-OD2 3.39Å; Q264-D384 PolarHBondContact NE2-OD2 2.88Å
265D96.6Very high97.3Very high22 Ų2220 Ų2012%0.11810%0.103CC..SBendtrans-68.5-18.7176-89.718.1000113.8L12 N13 R25 R345L12-D265 WeakPolarHBondContact CA-O 3.28Å; N13-D265 HydrophobicContact CB-CB 4.23Å; N13-D265 WeakPolarHBondContact CB-OD1 3.44Å; N13-D265 PolarHBondContact N-O 3.14Å; N13-D265 PolarHBondContact ND2-OD1 3.43Å; R25-D265 HydrophobicContact CG-CB 4.19Å; R25-D265 IonicContact CZ-OD2 3.03Å; R25-D265 IonicContact NE-OD2 2.73Å; R25-D265 PolarHBondContact NE-OD2 3.3Å; R25-D265 IonicContact NH2-OD2 3.67Å; R25-D265 PolarHBondContact NH2-OD2 2.81Å; D265-R345 IonicContact OD1-CZ 3.06Å; D265-R345 IonicContact OD1-NH1 3.77Å; D265-R345 PolarHBondContact OD1-NH1 3.18Å; D265-R345 IonicContact OD1-NH2 3.74Å; D265-R345 PolarHBondContact OD1-NH2 2.98Å; D265-R345 IonicContact OD2-NH1 3.55Å; D265-R345 IonicContact OD2-NH2 3.5Å
266V98Very high97.2Very high22 Ų2222 Ų2213%0.13311%0.112CC..EExtended strand (participates in β ladder)trans-136.3133.4177.4-177.60000109.1L12 R25 Q28 Q264 V268L12-V266 HydrophobicContact CD2-CB 4.38Å; L12-V266 HydrophobicContact CD2-CG1 4.07Å; L12-V266 HydrophobicContact CD2-CG2 4.05Å; R25-V266 HydrophobicContact CB-CG2 4.02Å; R25-V266 HydrophobicContact CG-CG2 4.22Å; Q28-V266 HydrophobicContact CB-CG2 4.2Å; Q28-V266 HydrophobicContact CG-CB 4.38Å; Q28-V266 HydrophobicContact CG-CG1 4.34Å; Q28-V266 HydrophobicContact CG-CG2 4.03Å; Q264-V266 WeakPolarHBondContact CB-O 3.43Å; Q264-V266 PolarHBondContact O-N 3.17Å; V266-V268 HydrophobicContact CG1-CG2 4.08Å
267E98Very high97.1Very high39 Ų3925.7 Ų25.718%0.18213%0.127CC..EExtended strand (participates in β ladder)trans-142.3111.6162.2-178.2178-143.200109.5T11 R233 S258 Q259T11-E267 WeakPolarHBondContact CB-O 3.38Å; T11-E267 PolarHBondContact N-O 3.5Å; T11-E267 PolarHBondContact O-N 2.98Å; T11-E267 PolarHBondContact OG1-O 3.26Å; R233-E267 IonicContact CZ-OE2 3.12Å; R233-E267 IonicContact NH1-OE2 2.74Å; R233-E267 PolarHBondContact NH1-OE2 2.74Å; R233-E267 IonicContact NH2-OE2 2.73Å; S258-E267 WeakPolarHBondContact CB-OE2 3.15Å; Q259-E267 PolarHBondContact N-OE2 3.1Å; Q259-E267 PolarHBondContact NE2-OE1 3.27Å
268V98.5Very high97.1Very high15 Ų1523.9 Ų23.99%0.09112%0.12CC..EExtended strand (participates in β ladder)trans-93.2127.6177-176.90000110.5A8 E32 A33 M36 V266 L270A8-V268 HydrophobicContact CB-CG1 3.84Å; E32-V268 HydrophobicContact CB-CB 4.2Å; E32-V268 HydrophobicContact CB-CG2 3.8Å; E32-V268 WeakPolarHBondContact OE2-CG2 3.25Å; A33-V268 HydrophobicContact CB-CG1 4.03Å; M36-V268 HydrophobicContact CE-CB 4.01Å; M36-V268 HydrophobicContact CE-CG1 4.22Å; V266-V268 HydrophobicContact CG1-CG2 4.08Å; V268-L270 HydrophobicContact CG1-CD1 3.8Å; V268-L270 HydrophobicContact CG1-CG 4.5Å
269T98Very high97.1Very high14 Ų1426.4 Ų26.49%0.08613%0.129CC..EExtended strand (participates in β ladder)trans-115.5129.4-179.5-65.80000109.6A8 V9 A256 S258A8-T269 WeakPolarHBondContact CA-O 3.48Å; V9-T269 HydrophobicContact CG2-CG2 4.18Å; V9-T269 PolarHBondContact N-O 2.93Å; V9-T269 PolarHBondContact O-N 3.3Å; A256-T269 HydrophobicContact CB-CG2 3.5Å; S258-T269 WeakPolarHBondContact CB-OG1 3.2Å; S258-T269 PolarHBondContact N-OG1 3.36Å
270L97.7Very high97Very high36 Ų3624.9 Ų24.919%0.18813%0.133CC..EExtended strand (participates in β ladder)trans-120.5152.1-176.2-65.590.8000113.1T6 V7 A8 M36 A38 A256 V268T6-L270 HydrophobicContact CG2-CD2 4Å; V7-L270 VanDerWaalsContact O-CA 3.29Å; V7-L270 WeakPolarHBondContact O-CA 3.38Å; A8-L270 HydrophobicContact CB-CD2 4.29Å; A8-L270 HydrophobicContact CB-CG 3.91Å; M36-L270 HydrophobicContact CB-CD1 3.78Å; M36-L270 HydrophobicContact CB-CD2 3.66Å; M36-L270 HydrophobicContact CB-CG 4.41Å; M36-L270 HydrophobicContact CE-CD1 3.54Å; M36-L270 HydrophobicContact CG-CD1 4.29Å; M36-L270 HydrophobicContact SD-CD1 3.59Å; M36-L270 VanDerWaalsContact SD-CD1 3.59Å; A38-L270 HydrophobicContact CB-CD2 3.85Å; A256-L270 WeakPolarHBondContact CB-O 3.45Å; V268-L270 HydrophobicContact CG1-CD1 3.8Å; V268-L270 HydrophobicContact CG1-CG 4.5Å
271A98Very high97.1Very high1 Ų127.5 Ų27.51%0.00814%0.143CC..EExtended strand (participates in β ladder)trans-136.1151.8162.200000110.9T6 V7 I248 L255 I273 T318T6-A271 WeakPolarHBondContact CA-O 3.49Å; V7-A271 PolarHBondContact N-O 3.04Å; V7-A271 PolarHBondContact O-N 2.91Å; V7-A271 VanDerWaalsContact O-N 3.1Å; I248-A271 HydrophobicContact CB-CB 4.06Å; I248-A271 HydrophobicContact CD1-CB 3.78Å; I248-A271 VanDerWaalsContact CD1-N 3.32Å; I248-A271 HydrophobicContact CG2-CB 3.65Å; L255-A271 HydrophobicContact CB-CB 3.99Å; L255-A271 HydrophobicContact CD1-CB 4.07Å; A271-I273 HydrophobicContact CB-CG1 4.42Å; A271-T318 WeakPolarHBondContact CA-OG1 3.46Å; A271-T318 HydrophobicContact CB-CG2 4.34Å
272T97.8Very high97Very high19 Ų1927.9 Ų27.912%0.11714%0.144CC..EExtended strand (participates in β ladder)trans-105.3125.8166-65.40000109.4K4 V5 T6 K315 T316 S317 T318K4-T272 HydrophobicContact CB-CG2 4Å; V5-T272 CarbonylContact O-C 3.53Å; V5-T272 VanDerWaalsContact O-CA 3.29Å; V5-T272 WeakPolarHBondContact O-CA 3.28Å; T6-T272 PolarHBondContact OG1-OG1 3.29Å; T272-K315 HydrophobicContact CG2-CB 4.05Å; T272-K315 HydrophobicContact CG2-CD 4.22Å; T272-T316 WeakPolarHBondContact CB-O 3.09Å; T272-S317 CarbonylContact O-C 3.59Å; T272-S317 WeakPolarHBondContact O-CA 3.49Å; T272-T318 PolarHBondContact N-OG1 3.08Å; T272-T318 PolarHBondContact O-N 2.96Å
273I97.3Very high97Very high1 Ų131.7 Ų31.71%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-122130.1-169.1-61.1179.6000108.7K4 V5 V7 A226 I248 L250 L255 A271 I278K4-I273 VanDerWaalsContact CA-O 3.3Å; K4-I273 WeakPolarHBondContact CA-O 3.24Å; V5-I273 HydrophobicContact CG2-CB 4.17Å; V5-I273 PolarHBondContact N-O 3.04Å; V5-I273 PolarHBondContact O-N 3.36Å; V7-I273 HydrophobicContact CG2-CD1 3.93Å; A226-I273 HydrophobicContact CB-CD1 3.66Å; I248-I273 HydrophobicContact CG2-CD1 3.95Å; L250-I273 HydrophobicContact CD1-CG2 3.99Å; L250-I273 HydrophobicContact CD2-CG2 4.07Å; L255-I273 HydrophobicContact CD1-CD1 4.37Å; L255-I273 HydrophobicContact CD1-CG1 3.91Å; A271-I273 HydrophobicContact CB-CG1 4.42Å; I273-I278 HydrophobicContact CG2-CD1 4.11Å
274D96.4Very high96.9Very high15 Ų1535.1 Ų35.18%0.0819%0.191CC..EExtended strand (participates in β ladder)trans-86.6112.6168.7-163.1-25000109.5R3 K4 E276 E277R3-D274 IonicContact CZ-OD1 3.54Å; R3-D274 IonicContact CZ-OD2 2.67Å; R3-D274 IonicContact NE-OD1 3.5Å; R3-D274 PolarHBondContact NE-OD1 3.48Å; R3-D274 IonicContact NE-OD2 3.51Å; R3-D274 PolarHBondContact NE-OD2 3.04Å; R3-D274 IonicContact NH2-OD1 2.86Å; R3-D274 IonicContact NH2-OD2 2.69Å; R3-D274 PolarHBondContact NH2-OD2 3.37Å; R3-D274 CarbonylContact O-C 3.4Å; R3-D274 WeakPolarHBondContact O-CA 3.08Å; K4-D274 HydrophobicContact CG-CB 4.01Å; D274-E276 PolarHBondContact O-N 3.27Å; D274-E276 WeakPolarHBondContact OD1-CB 3.41Å; D274-E276 PolarHBondContact OD1-N 2.88Å; D274-E277 VanDerWaalsContact O-CB 3.23Å; D274-E277 WeakPolarHBondContact O-CB 3.08Å; D274-E277 PolarHBondContact O-N 3.24Å
275L96.7Very high96.8Very high0 Ų035.4 Ų35.40%019%0.194CC..Hα-helixtrans-61.1-25.6178.6-61.1172.3000112R3 V5 D167 L195 E277 I278 R279R3-L275 WeakPolarHBondContact O-CG 3.19Å; R3-L275 PolarHBondContact O-N 3.02Å; V5-L275 HydrophobicContact CG1-CD1 3.76Å; V5-L275 HydrophobicContact CG1-CD2 4.49Å; V5-L275 HydrophobicContact CG1-CG 4.18Å; V5-L275 HydrophobicContact CG2-CD2 4.02Å; V5-L275 HydrophobicContact CG2-CG 4.27Å; D167-L275 WeakPolarHBondContact O-CD1 3.46Å; L195-L275 HydrophobicContact CD2-CD2 4.07Å; L275-E277 PolarHBondContact O-N 3.02Å; L275-I278 HydrophobicContact CD2-CD1 4.12Å; L275-I278 WeakPolarHBondContact O-CB 3.45Å; L275-I278 PolarHBondContact O-N 3.3Å; L275-R279 WeakPolarHBondContact O-CD 3.24Å; L275-R279 VanDerWaalsContact O-CG 3.27Å; L275-R279 WeakPolarHBondContact O-CG 3.16Å; L275-R279 PolarHBondContact O-N 3.11Å
276E95.6Very high96.7Very high52 Ų5242 Ų4224%0.24322%0.217CC..Hα-helixtrans-67.7-22.7173.8-62.7-55.5140.500112.7R3 D274 R279 A280R3-E276 HydrophobicContact CG-CG 3.93Å; D274-E276 PolarHBondContact O-N 3.27Å; D274-E276 WeakPolarHBondContact OD1-CB 3.41Å; D274-E276 PolarHBondContact OD1-N 2.88Å; E276-R279 WeakPolarHBondContact OE1-CD 3.36Å; E276-R279 IonicContact OE1-CZ 3.63Å; E276-R279 IonicContact OE1-NE 3.67Å; E276-R279 IonicContact OE1-NH1 3.48Å; E276-R279 PolarHBondContact OE1-NH1 2.91Å; E276-A280 WeakPolarHBondContact O-CB 3.41Å; E276-A280 PolarHBondContact O-N 2.86Å
277E95.6Very high96.5Very high90 Ų9045.6 Ų45.642%0.42124%0.243SC..Hα-helixtrans-69.9-42.9171.8-159.9-164.5117.300111L250 N251 D274 L275 R279 A280 Y281L250-E277 WeakPolarHBondContact CD2-OE1 3.39Å; N251-E277 PolarHBondContact ND2-OE1 3.02Å; D274-E277 VanDerWaalsContact O-CB 3.23Å; D274-E277 WeakPolarHBondContact O-CB 3.08Å; D274-E277 PolarHBondContact O-N 3.24Å; L275-E277 PolarHBondContact O-N 3.02Å; E277-R279 VanDerWaalsContact C-N 3.33Å; E277-R279 PolarHBondContact O-N 3.25Å; E277-A280 PolarHBondContact O-N 3.02Å; E277-Y281 WeakPolarHBondContact O-CB 3.34Å; E277-Y281 PolarHBondContact O-N 3.04Å
278I96.9Very high96.3Very high0 Ų045.3 Ų45.30%024%0.241CC..Hα-helixtrans-59-46.4173.1-61.2177.1000110.4E194 L195 A226 L250 I273 L275 R282E194-I278 HydrophobicContact CB-CD1 4.31Å; E194-I278 HydrophobicContact CB-CG2 4.24Å; E194-I278 HydrophobicContact CG-CG2 4.25Å; L195-I278 HydrophobicContact CD2-CD1 4.21Å; A226-I278 HydrophobicContact CB-CD1 4.13Å; L250-I278 HydrophobicContact CD1-CD1 4.01Å; L250-I278 HydrophobicContact CD1-CG1 3.5Å; L250-I278 VanDerWaalsContact CD1-CG1 3.5Å; I273-I278 HydrophobicContact CG2-CD1 4.11Å; L275-I278 HydrophobicContact CD2-CD1 4.12Å; L275-I278 WeakPolarHBondContact O-CB 3.45Å; L275-I278 PolarHBondContact O-N 3.3Å; I278-R282 WeakPolarHBondContact O-CB 3.36Å; I278-R282 VanDerWaalsContact O-CG 3.24Å; I278-R282 WeakPolarHBondContact O-CG 3.29Å; I278-R282 PolarHBondContact O-N 3.04Å
279R96.4Very high96.1Very high55 Ų5545.9 Ų45.921%0.20825%0.245CC..Hα-helixtrans-63.5-51.1-179.9-67.8160-171.7159.99.4110.8G2 D167 E194 L275 E276 E277 R282 V283G2-R279 PolarHBondContact O-NH1 3.5Å; D167-R279 PolarHBondContact O-NH2 3.18Å; E194-R279 WeakPolarHBondContact OE1-CG 3.41Å; E194-R279 IonicContact OE1-CZ 3.94Å; E194-R279 IonicContact OE1-NE 3.78Å; E194-R279 PolarHBondContact OE1-NE 2.85Å; E194-R279 IonicContact OE1-NH2 2.75Å; E194-R279 PolarHBondContact OE1-NH2 3.21Å; E194-R279 VanDerWaalsContact OE1-NH2 3.15Å; E194-R279 IonicContact OE2-CZ 2.74Å; E194-R279 IonicContact OE2-NE 3.62Å; E194-R279 IonicContact OE2-NH2 3.28Å; E194-R279 PolarHBondContact OE2-NH2 3.2Å; L275-R279 WeakPolarHBondContact O-CD 3.24Å; L275-R279 VanDerWaalsContact O-CG 3.27Å; L275-R279 WeakPolarHBondContact O-CG 3.16Å; L275-R279 PolarHBondContact O-N 3.11Å; E276-R279 WeakPolarHBondContact OE1-CD 3.36Å; E276-R279 IonicContact OE1-CZ 3.63Å; E276-R279 IonicContact OE1-NE 3.67Å; E276-R279 IonicContact OE1-NH1 3.48Å; E276-R279 PolarHBondContact OE1-NH1 2.91Å; E277-R279 VanDerWaalsContact C-N 3.33Å; E277-R279 PolarHBondContact O-N 3.25Å; R279-R282 PolarHBondContact O-N 3.07Å; R279-V283 WeakPolarHBondContact O-CB 3.47Å; R279-V283 VanDerWaalsContact O-CG2 3.24Å; R279-V283 WeakPolarHBondContact O-CG2 3.44Å; R279-V283 PolarHBondContact O-N 2.92Å
280A96.2Very high95.9Very high62 Ų6250.1 Ų50.151%0.51227%0.271SS..Hα-helixtrans-61.2-46.6178.400000112.5E276 E277 R282 V283 S284E276-A280 WeakPolarHBondContact O-CB 3.41Å; E276-A280 PolarHBondContact O-N 2.86Å; E277-A280 PolarHBondContact O-N 3.02Å; A280-R282 PolarHBondContact O-N 3.5Å; A280-V283 PolarHBondContact O-N 3.45Å; A280-S284 PolarHBondContact O-N 3.12Å
281Y97.1Very high95.8Very high57 Ų5750.4 Ų50.422%0.22428%0.278CS..Hα-helixtrans-57.5-52.4177.7-175.2-88.8000110.8F221 N251 E277 V283 S284 L285F221-Y281 WeakPolarHBondContact CD2-OH 3.32Å; F221-Y281 PolarHBondContact O-OH 3.15Å; N251-Y281 HydrophobicContact CB-CD1 4.3Å; N251-Y281 HydrophobicContact CB-CD2 3.82Å; N251-Y281 HydrophobicContact CB-CE1 4.37Å; N251-Y281 HydrophobicContact CB-CE2 3.88Å; N251-Y281 HydrophobicContact CB-CG 4.04Å; E277-Y281 WeakPolarHBondContact O-CB 3.34Å; E277-Y281 PolarHBondContact O-N 3.04Å; Y281-V283 PolarHBondContact O-N 3.46Å; Y281-S284 WeakPolarHBondContact O-CB 3.26Å; Y281-S284 PolarHBondContact O-N 2.68Å; Y281-S284 PolarHBondContact O-OG 3.47Å; Y281-L285 HydrophobicContact CD1-CD1 4.05Å; Y281-L285 HydrophobicContact CE1-CD1 3.57Å; Y281-L285 HydrophobicContact CE1-CG 4.5Å; Y281-L285 PolarHBondContact O-N 3.12Å
282R97.1Very high95.7Very high19 Ų1951.6 Ų51.67%0.07229%0.288CS..Hα-helixtrans-63.2-37.2179.5-71174.9168.9-173.2-0.8113.3S189 V193 G224 I278 R279 A280 L285 C289S189-R282 PolarHBondContact OG-NH2 3.19Å; S189-R282 VanDerWaalsContact OG-NH2 3.1Å; V193-R282 PolarHBondContact O-NH1 2.75Å; V193-R282 PolarHBondContact O-NH2 3.09Å; G224-R282 VanDerWaalsContact O-CZ 3.26Å; G224-R282 PolarHBondContact O-NE 3.38Å; G224-R282 PolarHBondContact O-NH2 2.66Å; I278-R282 WeakPolarHBondContact O-CB 3.36Å; I278-R282 VanDerWaalsContact O-CG 3.24Å; I278-R282 WeakPolarHBondContact O-CG 3.29Å; I278-R282 PolarHBondContact O-N 3.04Å; R279-R282 PolarHBondContact O-N 3.07Å; A280-R282 PolarHBondContact O-N 3.5Å; R282-L285 PolarHBondContact O-N 2.98Å; R282-C289 PolarHBondContact O-SG 2.99Å
283V95.9Very high95.5Very high87 Ų8755.1 Ų55.153%0.52732%0.32SS..Hα-helixtrans-69.9-31177.7167.80000112.5R279 A280 Y281 L285 R286R279-V283 WeakPolarHBondContact O-CB 3.47Å; R279-V283 VanDerWaalsContact O-CG2 3.24Å; R279-V283 WeakPolarHBondContact O-CG2 3.44Å; R279-V283 PolarHBondContact O-N 2.92Å; A280-V283 PolarHBondContact O-N 3.45Å; Y281-V283 PolarHBondContact O-N 3.46Å; V283-L285 VanDerWaalsContact C-N 3.34Å; V283-R286 VanDerWaalsContact O-CD 3.27Å; V283-R286 WeakPolarHBondContact O-CD 3.3Å; V283-R286 PolarHBondContact O-NH1 2.81Å; V283-R286 VanDerWaalsContact O-NH1 3.14Å
284S96Very high95.3Very high79 Ų7959.9 Ų59.955%0.55235%0.353SS*.Hα-helixtrans-66.2-36.1174.581.10000112.1A280 Y281 R286A280-S284 PolarHBondContact O-N 3.12Å; Y281-S284 WeakPolarHBondContact O-CB 3.26Å; Y281-S284 PolarHBondContact O-N 2.68Å; Y281-S284 PolarHBondContact O-OG 3.47Å; S284-R286 VanDerWaalsContact C-N 3.32Å; S284-R286 PolarHBondContact O-N 2.89Å
285L94.3Very high95.2Very high58 Ų5861 Ų6130%0.30436%0.364SS..  trans-76.377.7177.1-61.4-179.9000111.1Y281 R282 V283 S287 R288 C289Y281-L285 HydrophobicContact CD1-CD1 4.05Å; Y281-L285 HydrophobicContact CE1-CD1 3.57Å; Y281-L285 HydrophobicContact CE1-CG 4.5Å; Y281-L285 PolarHBondContact O-N 3.12Å; R282-L285 PolarHBondContact O-N 2.98Å; V283-L285 VanDerWaalsContact C-N 3.34Å; L285-S287 VanDerWaalsContact C-N 3.31Å; L285-S287 PolarHBondContact O-N 3.32Å; L285-R288 HydrophobicContact CB-CB 3.83Å; L285-R288 WeakPolarHBondContact O-CB 3.12Å; L285-R288 PolarHBondContact O-N 2.88Å; L285-R288 VanDerWaalsContact O-N 3.1Å; L285-C289 PolarHBondContact O-N 2.89Å; L285-C289 PolarHBondContact O-SG 3.18Å; L285-C289 VanDerWaalsContact O-SG 3.36Å
286R94.4Very high95.1Very high160 Ų16064 Ų6460%0.60439%0.389SS*.Hα-helixtrans-58.3-36.1-175.3-59.9-48.9-58.5162.1-0.7114.4V283 S284 C289 T290V283-R286 VanDerWaalsContact O-CD 3.27Å; V283-R286 WeakPolarHBondContact O-CD 3.3Å; V283-R286 PolarHBondContact O-NH1 2.81Å; V283-R286 VanDerWaalsContact O-NH1 3.14Å; S284-R286 VanDerWaalsContact C-N 3.32Å; S284-R286 PolarHBondContact O-N 2.89Å; R286-C289 WeakPolarHBondContact O-CB 3.32Å; R286-C289 PolarHBondContact O-N 2.96Å; R286-T290 PolarHBondContact O-N 3.25Å; R286-T290 PolarHBondContact O-OG1 3.33Å
287S93.4Very high95Very high98 Ų9870 Ų7069%0.68542%0.417SS*.Hα-helixtrans-64.1-42.8175.249.50000112.3L285 C289 T290 A291L285-S287 VanDerWaalsContact C-N 3.31Å; L285-S287 PolarHBondContact O-N 3.32Å; S287-C289 VanDerWaalsContact C-N 3.33Å; S287-C289 PolarHBondContact O-N 3.08Å; S287-T290 PolarHBondContact O-N 3.45Å; S287-A291 PolarHBondContact O-N 2.82Å
288R93.6Very high95Very high34 Ų3466.1 Ų66.113%0.12840%0.399CS..Hα-helixtrans-61.8-39.9172.3-175.1-150.5170.2-71.6-4.7111.2S189 L190 A223 L285 T290 A291 A292S189-R288 VanDerWaalsContact C-NH2 3.3Å; S189-R288 PolarHBondContact O-NH2 2.93Å; S189-R288 PolarHBondContact OG-NH2 3.13Å; L190-R288 HydrophobicContact CD2-CG 4.43Å; A223-R288 PolarHBondContact O-NE 2.75Å; L285-R288 HydrophobicContact CB-CB 3.83Å; L285-R288 WeakPolarHBondContact O-CB 3.12Å; L285-R288 PolarHBondContact O-N 2.88Å; L285-R288 VanDerWaalsContact O-N 3.1Å; R288-T290 VanDerWaalsContact C-N 3.33Å; R288-T290 PolarHBondContact O-N 2.89Å; R288-A291 PolarHBondContact O-N 2.91Å; R288-A292 WeakPolarHBondContact O-CB 3.34Å; R288-A292 PolarHBondContact O-N 2.93Å
289C94.1Very high95.1Very high27 Ų2767.8 Ų67.818%0.18241%0.409CS..Hα-helixtrans-58.6-42.9176-65.50000112.1R282 L285 R286 S287 A292 A293R282-C289 PolarHBondContact O-SG 2.99Å; L285-C289 PolarHBondContact O-N 2.89Å; L285-C289 PolarHBondContact O-SG 3.18Å; L285-C289 VanDerWaalsContact O-SG 3.36Å; R286-C289 WeakPolarHBondContact O-CB 3.32Å; R286-C289 PolarHBondContact O-N 2.96Å; S287-C289 VanDerWaalsContact C-N 3.33Å; S287-C289 PolarHBondContact O-N 3.08Å; C289-A292 PolarHBondContact O-N 2.89Å; C289-A293 WeakPolarHBondContact O-CB 3.45Å; C289-A293 PolarHBondContact O-N 3.08Å
290T94.6Very high95.2Very high103 Ų10370.7 Ų70.763%0.63242%0.42SS*.Hα-helixtrans-62.1-43.1176.7-53.30000111.9R286 S287 R288 A293R286-T290 PolarHBondContact O-N 3.25Å; R286-T290 PolarHBondContact O-OG1 3.33Å; S287-T290 PolarHBondContact O-N 3.45Å; R288-T290 VanDerWaalsContact C-N 3.33Å; R288-T290 PolarHBondContact O-N 2.89Å; T290-A293 PolarHBondContact O-N 3.23Å
291A94.5Very high95.3Very high41 Ų4169.2 Ų69.234%0.33940%0.403SS..Hα-helixtrans-68.1-34.8177.300000113L190 S287 R288 S294 A295L190-A291 HydrophobicContact CD2-CB 3.9Å; S287-A291 PolarHBondContact O-N 2.82Å; R288-A291 PolarHBondContact O-N 2.91Å; A291-S294 PolarHBondContact O-N 2.8Å; A291-S294 PolarHBondContact O-OG 3.49Å; A291-A295 PolarHBondContact O-N 3.37Å
292A95.3Very high95.3Very high26 Ų2673.4 Ų73.422%0.21543%0.425CS..Hα-helixtrans-68.3-36.5175.700000112.1L190 R288 C289 S294 A295L190-A292 HydrophobicContact CD2-CB 4.13Å; L190-A292 WeakPolarHBondContact O-CB 3.46Å; R288-A292 WeakPolarHBondContact O-CB 3.34Å; R288-A292 PolarHBondContact O-N 2.93Å; C289-A292 PolarHBondContact O-N 2.89Å; A292-S294 PolarHBondContact O-N 2.73Å; A292-A295 VanDerWaalsContact O-CB 3.31Å; A292-A295 WeakPolarHBondContact O-CB 3.3Å; A292-A295 PolarHBondContact O-N 3.08Å; A292-A295 VanDerWaalsContact O-N 3.14Å
293A94.9Very high95.3Very high94 Ų9472.9 Ų72.978%0.77742%0.424SS*.THydrogen-bonded Turntrans-67.7-12.4177.300000114.4C289 T290C289-A293 WeakPolarHBondContact O-CB 3.45Å; C289-A293 PolarHBondContact O-N 3.08Å; T290-A293 PolarHBondContact O-N 3.23Å
294S93.3Very high95.3Very high101 Ų10174.5 Ų74.571%0.70643%0.429SS*.THydrogen-bonded Turntrans-118.518.7172.867.20000113A291 A292A291-S294 PolarHBondContact O-N 2.8Å; A291-S294 PolarHBondContact O-OG 3.49Å; A292-S294 PolarHBondContact O-N 2.73Å
295A93.9Very high95.3Very high37 Ų3771.9 Ų71.931%0.30641%0.408SS..PPolyproline II helixtrans-74.7150.2176.700000111.2L190 A291 A292L190-A295 HydrophobicContact CB-CB 3.88Å; A291-A295 PolarHBondContact O-N 3.37Å; A292-A295 VanDerWaalsContact O-CB 3.31Å; A292-A295 WeakPolarHBondContact O-CB 3.3Å; A292-A295 PolarHBondContact O-N 3.08Å; A292-A295 VanDerWaalsContact O-N 3.14Å
296A93.8Very high95.3Very high65 Ų6572.2 Ų72.254%0.53741%0.408SS..PPolyproline II helixtrans-73.4145.8170.400000110.6L136L136-A296 HydrophobicContact CD1-CB 3.48Å; L136-A296 VanDerWaalsContact CD1-CB 3.48Å
297E93.2Very high95.4Very high176 Ų17664.7 Ų64.782%0.82238%0.38SS*.PPolyproline II helixtrans-75.5129.8179.5-61.8-175168.300111
298Y97Very high95.4Very high10 Ų1060.4 Ų60.44%0.03935%0.35CS..PPolyproline II helixtrans-77.6142.4164-88.6-100.9000110L136 V162 E187 M188 A191 R300L136-Y298 HydrophobicContact CD2-CD1 3.76Å; L136-Y298 HydrophobicContact CD2-CD2 3.55Å; L136-Y298 HydrophobicContact CD2-CE1 3.57Å; L136-Y298 HydrophobicContact CD2-CE2 3.37Å; L136-Y298 HydrophobicContact CD2-CG 3.76Å; V162-Y298 HydrophobicContact CG1-CD1 3.7Å; V162-Y298 HydrophobicContact CG1-CE1 4.41Å; V162-Y298 HydrophobicContact CG1-CG 3.87Å; E187-Y298 HydrophobicContact CB-CE2 3.92Å; E187-Y298 WeakPolarHBondContact CB-OH 3.38Å; M188-Y298 HydrophobicContact CE-CE1 4.06Å; M188-Y298 HydrophobicContact CG-CE1 3.98Å; M188-Y298 HydrophobicContact CG-CE2 4.07Å; A191-Y298 HydrophobicContact CB-CD2 3.55Å; A191-Y298 HydrophobicContact CB-CE2 4.19Å; Y298-R300 WeakPolarHBondContact O-CG 3.17Å; Y298-R300 PolarHBondContact O-N 2.95Å
299P98.1Very high95.2Very high34 Ų3461.6 Ų61.622%0.22136%0.361CS..PPolyproline II helixtrans-54.9124.9164.3-21.331.8000110.3L136 T138 D160 A161 V162L136-P299 WeakPolarHBondContact O-CD 3.42Å; L136-P299 VanDerWaalsContact O-CG 3.27Å; L136-P299 WeakPolarHBondContact O-CG 3.25Å; T138-P299 HydrophobicContact CG2-CB 4.47Å; D160-P299 WeakPolarHBondContact O-CD 3.42Å; A161-P299 WeakPolarHBondContact CA-O 3.43Å; A161-P299 HydrophobicContact CB-CB 3.98Å; A161-P299 WeakPolarHBondContact CB-O 3.1Å; V162-P299 PolarHBondContact N-O 2.86Å
300R98.2Very high94.7Very high117 Ų11768.8 Ų68.844%0.44239%0.392SS..EExtended strand (participates in β ladder)trans-105.6117.3-177.2-62.3-168.7169.3-144.1-2.9110.7V162 A191 Y298V162-R300 HydrophobicContact CG2-CB 4.46Å; V162-R300 HydrophobicContact CG2-CG 3.85Å; A191-R300 PolarHBondContact O-NH2 3.47Å; Y298-R300 WeakPolarHBondContact O-CG 3.17Å; Y298-R300 PolarHBondContact O-N 2.95Å
301I98.4Very high94.2Very high30 Ų3067.3 Ų67.315%0.15439%0.385CS..EExtended strand (participates in β ladder)trans-88.5113171.1-49.8-45.3000107.8L109 L110 P157 A161 V162 I163 A164 C303L109-I301 HydrophobicContact CB-CG2 4.29Å; L109-I301 WeakPolarHBondContact O-CG2 3.42Å; L110-I301 HydrophobicContact CB-CG1 4.44Å; P157-I301 HydrophobicContact CB-CD1 3.77Å; P157-I301 HydrophobicContact CB-CG1 4.31Å; P157-I301 HydrophobicContact CG-CD1 3.55Å; P157-I301 HydrophobicContact CG-CG1 4.17Å; A161-I301 HydrophobicContact CB-CG1 4.44Å; V162-I301 PolarHBondContact O-N 2.95Å; I163-I301 WeakPolarHBondContact CA-O 3.36Å; A164-I301 PolarHBondContact N-O 3.14Å; I301-C303 PolarHBondContact O-N 2.83Å
302H98Very high93.8Very high146 Ų14666.2 Ų66.268%0.67637%0.374SS*.EExtended strand (participates in β ladder)trans-79.2121.1179.7-71.9-81.8000110.9A164A164-H302 WeakPolarHBondContact O-CA 3.18Å
303C97.2Very high93.5Very high8 Ų870.6 Ų70.65%0.05439%0.392CS..  trans-106.5122.7172.1-175.10000108.9L109 I163 A164 I301 F305L109-C303 HydrophobicContact CD1-CB 3.98Å; I163-C303 HydrophobicContact CG2-CB 3.92Å; A164-C303 PolarHBondContact O-N 2.93Å; I301-C303 PolarHBondContact O-N 2.83Å; C303-F305 PolarHBondContact O-N 3.34Å
304D96Very high93.2Very high120 Ų12074.5 Ų74.564%0.64239%0.392SS*.  trans-80.170.5-178.9-164.444.8000111.5R166R166-D304 IonicContact CZ-OD1 3.65Å; R166-D304 VanDerWaalsContact CZ-OD1 3.22Å; R166-D304 IonicContact CZ-OD2 2.66Å; R166-D304 IonicContact NE-OD1 3.47Å; R166-D304 PolarHBondContact NE-OD1 2.84Å; R166-D304 IonicContact NH2-OD1 3.84Å; R166-D304 PolarHBondContact NH2-OD1 3.34Å; R166-D304 IonicContact NH2-OD2 2.73Å; R166-D304 PolarHBondContact NH2-OD2 3.35Å
305F95.4Very high93.1Very high25 Ų2572.1 Ų72.111%0.1137%0.369CS..  trans-143.4153.5-173.1-177.5-136000110.6S39 L83 F104 T165 R166 C303 M307S39-F305 WeakPolarHBondContact O-CE1 3.44Å; L83-F305 HydrophobicContact CB-CD1 4.28Å; L83-F305 HydrophobicContact CB-CE1 3.97Å; F104-F305 HydrophobicContact CD2-CD1 4.3Å; F104-F305 HydrophobicContact CD2-CE1 4.48Å; F104-F305 HydrophobicContact CD2-CG 4.34Å; F104-F305 HydrophobicContact CE1-CB 4.02Å; F104-F305 HydrophobicContact CE1-CD2 4.29Å; F104-F305 HydrophobicContact CE1-CG 4.25Å; F104-F305 HydrophobicContact CE2-CB 4.28Å; F104-F305 AromaticContact CE2-CD1 3.91Å; F104-F305 HydrophobicContact CE2-CD1 3.91Å; F104-F305 AromaticContact CE2-CD2 3.51Å; F104-F305 HydrophobicContact CE2-CD2 3.51Å; F104-F305 HydrophobicContact CE2-CE1 4.03Å; F104-F305 AromaticContact CE2-CE2 3.65Å; F104-F305 HydrophobicContact CE2-CE2 3.65Å; F104-F305 AromaticContact CE2-CG 3.65Å; F104-F305 HydrophobicContact CE2-CG 3.65Å; F104-F305 AromaticContact CE2-CZ 3.9Å; F104-F305 HydrophobicContact CE2-CZ 3.9Å; F104-F305 HydrophobicContact CZ-CB 3.87Å; F104-F305 HydrophobicContact CZ-CD1 4.32Å; F104-F305 AromaticContact CZ-CD2 3.32Å; F104-F305 HydrophobicContact CZ-CD2 3.32Å; F104-F305 AromaticContact CZ-CE2 3.86Å; F104-F305 HydrophobicContact CZ-CE2 3.86Å; F104-F305 AromaticContact CZ-CG 3.6Å; F104-F305 HydrophobicContact CZ-CG 3.6Å; T165-F305 WeakPolarHBondContact CB-O 3.32Å; T165-F305 HydrophobicContact CG2-CD1 4.45Å; R166-F305 WeakPolarHBondContact CB-O 3.48Å; R166-F305 PolarHBondContact N-O 2.78Å; C303-F305 PolarHBondContact O-N 3.34Å; F305-M307 HydrophobicContact CD1-CG 3.94Å; F305-M307 HydrophobicContact CE1-CG 3.66Å
306E94.8Very high93.1Very high65 Ų6576.2 Ų76.230%0.30439%0.391SS..  trans-117.6119.6167.9-75.9164.7-13100107R166 S308 H310R166-E306 HydrophobicContact CB-CG 3.8Å; R166-E306 WeakPolarHBondContact CD-OE1 3.44Å; R166-E306 HydrophobicContact CG-CG 4.34Å; R166-E306 IonicContact CZ-OE1 3.58Å; R166-E306 IonicContact NE-OE1 3.63Å; R166-E306 IonicContact NH1-OE1 3.9Å; R166-E306 PolarHBondContact NH1-OE1 3.48Å; E306-S308 VanDerWaalsContact C-N 3.3Å; E306-H310 IonicContact OE2-CE1 3.3Å
307M95.3Very high93.2Very high1 Ų175 Ų751%0.00538%0.378CS..SBendtrans-78-19.8177.8-81.3-178.95800112.6V5 V7 S39 Y40 L83 T165 D167 T168 L170 L195 F305V5-M307 HydrophobicContact CB-CB 4.27Å; V5-M307 HydrophobicContact CB-CE 4.28Å; V5-M307 HydrophobicContact CG1-CB 3.6Å; V5-M307 HydrophobicContact CG1-CE 4.46Å; V7-M307 HydrophobicContact CG1-CE 3.68Å; S39-M307 WeakPolarHBondContact CB-O 3.26Å; S39-M307 WeakPolarHBondContact OG-CB 3.43Å; S39-M307 PolarHBondContact OG-O 2.96Å; Y40-M307 HydrophobicContact CD1-CE 4.49Å; Y40-M307 HydrophobicContact CG-CE 4.22Å; L83-M307 HydrophobicContact CD2-SD 4.44Å; T165-M307 HydrophobicContact CG2-CG 4.18Å; T165-M307 HydrophobicContact CG2-SD 4.13Å; D167-M307 VanDerWaalsContact CG-N 3.35Å; D167-M307 PolarHBondContact OD1-N 2.8Å; D167-M307 PolarHBondContact OD2-N 3.1Å; T168-M307 HydrophobicContact CG2-CE 4.49Å; T168-M307 HydrophobicContact CG2-SD 3.67Å; L170-M307 HydrophobicContact CD1-SD 3.87Å; L170-M307 HydrophobicContact CD2-CE 4.45Å; L170-M307 HydrophobicContact CD2-SD 4.1Å; L170-M307 HydrophobicContact CG-SD 4.41Å; L195-M307 HydrophobicContact CD1-CE 3.6Å; L195-M307 HydrophobicContact CD1-SD 4.28Å; F305-M307 HydrophobicContact CD1-CG 3.94Å; F305-M307 HydrophobicContact CE1-CG 3.66Å
308S94.2Very high93.4Very high9 Ų968.6 Ų68.66%0.06335%0.351CS..SBendtrans-88.1163.8168.1590000111.2G2 D167 E306G2-S308 WeakPolarHBondContact CA-OG 3.42Å; D167-S308 WeakPolarHBondContact OD2-CB 3.27Å; D167-S308 PolarHBondContact OD2-N 3.34Å; D167-S308 PolarHBondContact OD2-OG 2.9Å; E306-S308 VanDerWaalsContact C-N 3.3Å
309T88.5Confident93.4Very high58 Ų5872.6 Ų72.636%0.35638%0.378SS..  trans-11315217750.90000109.5S311 D312T309-S311 PolarHBondContact O-N 2.96Å; T309-D312 WeakPolarHBondContact O-CB 3.26Å; T309-D312 VanDerWaalsContact O-CG 3.26Å; T309-D312 PolarHBondContact O-N 3.49Å; T309-D312 PolarHBondContact OG1-N 2.83Å
310H83.5Confident93.3Very high179 Ų17975 Ų7583%0.82939%0.394SS*.THydrogen-bonded Turntrans-59.4-16.1176.1-57.5-26.7000114.6E306E306-H310 IonicContact OE2-CE1 3.3Å
311S85.3Confident93.1Very high71 Ų7172.8 Ų72.850%0.49739%0.39SS..THydrogen-bonded Turntrans-9811.4172.653.40000114.1T309 I313 F314T309-S311 PolarHBondContact O-N 2.96Å; S311-I313 PolarHBondContact O-N 3.47Å; S311-F314 PolarHBondContact O-N 2.88Å; S311-F314 VanDerWaalsContact O-N 3.09Å
312D86.4Confident92.9Very high18 Ų1878.7 Ų78.710%0.09642%0.422CS..G310 helixtrans-59.6-28.5-174.972-19000113.9R3 K4 T309 F314 K315R3-D312 WeakPolarHBondContact CA-OD2 3.47Å; R3-D312 WeakPolarHBondContact CB-OD2 3.49Å; R3-D312 PolarHBondContact N-OD2 3.14Å; K4-D312 HydrophobicContact CB-CB 4.08Å; K4-D312 WeakPolarHBondContact CD-O 3.38Å; K4-D312 PolarHBondContact N-OD2 2.83Å; T309-D312 WeakPolarHBondContact O-CB 3.26Å; T309-D312 VanDerWaalsContact O-CG 3.26Å; T309-D312 PolarHBondContact O-N 3.49Å; T309-D312 PolarHBondContact OG1-N 2.83Å; D312-F314 PolarHBondContact O-N 3.09Å; D312-F314 VanDerWaalsContact O-N 3.08Å; D312-K315 WeakPolarHBondContact O-CB 3.16Å; D312-K315 PolarHBondContact O-N 3Å
313I88Confident92.6Very high118 Ų11873.2 Ų73.261%0.60540%0.396SS*.G310 helixtrans-49.5-36.2173.5-167.9169.4000112.4K4 S311K4-I313 PolarHBondContact NZ-O 2.84Å; S311-I313 PolarHBondContact O-N 3.47Å
314F89.2Confident92.3Very high176 Ų17676.3 Ų76.377%0.77242%0.416SS*.G310 helixtrans-82.9-11.8179.2-58.2-71000114.5S311 D312S311-F314 PolarHBondContact O-N 2.88Å; S311-F314 VanDerWaalsContact O-N 3.09Å; D312-F314 PolarHBondContact O-N 3.09Å; D312-F314 VanDerWaalsContact O-N 3.08Å
315K91.7Very high92.1Very high52 Ų5274.8 Ų74.823%0.22641%0.406CS..SBendtrans-69.2139.7171.7-65.9-175.8171.4-171.30109.7K4 T6 T272 D312K4-K315 HydrophobicContact CB-CB 4.37Å; K4-K315 HydrophobicContact CD-CB 4.24Å; K4-K315 WeakPolarHBondContact CD-O 3.26Å; K4-K315 WeakPolarHBondContact CE-O 3.18Å; K4-K315 PolarHBondContact NZ-O 2.92Å; T6-K315 PolarHBondContact OG1-NZ 3.46Å; T272-K315 HydrophobicContact CG2-CB 4.05Å; T272-K315 HydrophobicContact CG2-CD 4.22Å; D312-K315 WeakPolarHBondContact O-CB 3.16Å; D312-K315 PolarHBondContact O-N 3Å
316T92.9Very high92.2Very high123 Ų12376.2 Ų76.276%0.75541%0.413SS*.PPolyproline II helixtrans-85.9131.1170.6-49.90000109.1T272T272-T316 WeakPolarHBondContact CB-O 3.09Å
317S95Very high92.3Very high40 Ų4076 Ų7628%0.2842%0.415SS..PPolyproline II helixtrans-67143.7170.9-500000110T272T272-S317 CarbonylContact O-C 3.59Å; T272-S317 WeakPolarHBondContact O-CA 3.49Å
318T97.5Very high92.4Very high40 Ų4077 Ų7725%0.24542%0.423CS..PPolyproline II helixtrans-69.1127.4178.7-61.10000109.8L255 A271 T272L255-T318 HydrophobicContact CB-CG2 3.98Å; L255-T318 VanDerWaalsContact O-CG2 3.28Å; L255-T318 WeakPolarHBondContact O-CG2 3.29Å; A271-T318 WeakPolarHBondContact CA-OG1 3.46Å; A271-T318 HydrophobicContact CB-CG2 4.34Å; T272-T318 PolarHBondContact N-OG1 3.08Å; T272-T318 PolarHBondContact O-N 2.96Å
319P97.2Very high92.6Very high95 Ų9577.9 Ų77.962%0.61743%0.425SS*.PPolyproline II helixtrans-74.5158.8176.931.9-35.7000111.7
320P97Very high93Very high83 Ų8377 Ų7754%0.53942%0.417SS..PPolyproline II helixtrans-58.1152.6174.4-28.237.1000115.2E253 I254E253-P320 HydrophobicContact CB-CB 4.07Å; E253-P320 HydrophobicContact CB-CG 3.94Å; E253-P320 HydrophobicContact CG-CB 4.27Å; E253-P320 HydrophobicContact CG-CG 3.95Å; I254-P320 CarbonylContact O-C 3.57Å; I254-P320 VanDerWaalsContact O-CA 3.31Å; I254-P320 WeakPolarHBondContact O-CA 3.4Å
321L94.4Very high93.7Very high71 Ų7168.6 Ų68.637%0.37238%0.378SS..  trans-128.1124.7-176.6171.466000109.9I254 R257 W323I254-L321 PolarHBondContact O-N 2.81Å; R257-L321 HydrophobicContact CB-CD2 4.25Å; L321-W323 PolarHBondContact O-N 3.3Å
322N93.3Very high94.4Very high154 Ų15465.3 Ų65.382%0.82436%0.355SS*.  trans-67.8120.8166.5-71.1-40000109.7P324N322-P324 VanDerWaalsContact O-CD 3.25Å; N322-P324 WeakPolarHBondContact O-CD 3.35Å
323W92.5Very high95Very high32 Ų3264.5 Ų64.512%0.12135%0.351CS..  trans-64.7114.4-179.8-175.7-72.9000111.2C245 A247 I254 R257 L321 M325C245-W323 HydrophobicContact CB-CH2 3.96Å; C245-W323 HydrophobicContact CB-CZ2 3.85Å; A247-W323 HydrophobicContact CB-CH2 4.28Å; A247-W323 HydrophobicContact CB-CZ3 3.72Å; I254-W323 HydrophobicContact CD1-CE3 4.35Å; I254-W323 HydrophobicContact CG1-CE3 4.19Å; I254-W323 HydrophobicContact CG2-CE3 4.23Å; R257-W323 VanDerWaalsContact CD-CE2 3.48Å; R257-W323 VanDerWaalsContact CD-CZ2 3.49Å; R257-W323 HydrophobicContact CG-CE3 4.06Å; R257-W323 HydrophobicContact CG-CH2 3.95Å; R257-W323 HydrophobicContact CG-CZ2 4.41Å; R257-W323 HydrophobicContact CG-CZ3 3.76Å; L321-W323 PolarHBondContact O-N 3.3Å; W323-M325 PolarHBondContact O-N 3.47Å
324P90.8Very high95.4Very high73 Ų7360.8 Ų60.847%0.47433%0.332SS..PPolyproline II helixtrans-77120.9-179.129.8-32.1000110.5R257 N322R257-P324 PolarHBondContact NH1-O 3.13Å; N322-P324 VanDerWaalsContact O-CD 3.25Å; N322-P324 WeakPolarHBondContact O-CD 3.35Å
325M92.3Very high95.9Very high88 Ų8852.4 Ų52.443%0.43330%0.296SS..PPolyproline II helixtrans-97.4132.4177-72.4-63.9-60.600111A209 H210 W323A209-M325 HydrophobicContact CB-CE 4.09Å; A209-M325 HydrophobicContact CB-SD 4.47Å; H210-M325 HydrophobicContact CB-CE 3.99Å; H210-M325 HydrophobicContact CB-SD 4.4Å; W323-M325 PolarHBondContact O-N 3.47Å
326H96.1Very high96.2Very high55 Ų5550 Ų5026%0.25529%0.285SS..PPolyproline II helixtrans-76.6152.9169.8-75.8-59.2000111.6E330 E331H326-E330 HydrophobicContact CB-CB 3.95Å; H326-E330 IonicContact CE1-OE2 3.89Å; H326-E330 IonicContact CG-OE2 2.69Å; H326-E330 IonicContact ND1-OE2 3.03Å; H326-E330 PolarHBondContact ND1-OE2 3.17Å; H326-E331 HydrophobicContact CB-CG 3.77Å
327T97.3Very high96.5Very high59 Ų5944.1 Ų44.136%0.36225%0.249SC..PPolyproline II helixtrans-76.4161.7167.588.60000110.1E329 E330 E331T327-E329 VanDerWaalsContact CB-OE2 3.28Å; T327-E329 WeakPolarHBondContact CB-OE2 3.08Å; T327-E329 PolarHBondContact O-N 2.99Å; T327-E329 PolarHBondContact OG1-N 3.5Å; T327-E329 PolarHBondContact OG1-OE2 2.98Å; T327-E330 HydrophobicContact CG2-CG 4.38Å; T327-E330 PolarHBondContact O-N 2.98Å; T327-E330 PolarHBondContact OG1-N 3.32Å; T327-E331 PolarHBondContact O-N 2.81Å
328P97.4Very high96.6Very high24 Ų2442.2 Ų42.216%0.15624%0.236CC..Hα-helixtrans-55.7-36.1176.2-19.628.2000112.8R207 E331 I332R207-P328 HydrophobicContact CG-CB 4.17Å; R207-P328 HydrophobicContact CG-CG 3.95Å; P328-E331 PolarHBondContact O-N 3.11Å; P328-I332 WeakPolarHBondContact O-CD1 3.41Å; P328-I332 VanDerWaalsContact O-CG1 3.26Å; P328-I332 WeakPolarHBondContact O-CG1 3.5Å; P328-I332 PolarHBondContact O-N 3.4Å
329E98.3Very high96.7Very high26 Ų2640.3 Ų40.312%0.12122%0.224CC..Hα-helixtrans-69-35.1177.1-55.380.6-177.100112.2T327 A333 R549 Y553T327-E329 VanDerWaalsContact CB-OE2 3.28Å; T327-E329 WeakPolarHBondContact CB-OE2 3.08Å; T327-E329 PolarHBondContact O-N 2.99Å; T327-E329 PolarHBondContact OG1-N 3.5Å; T327-E329 PolarHBondContact OG1-OE2 2.98Å; E329-A333 VanDerWaalsContact O-CB 3.24Å; E329-A333 WeakPolarHBondContact O-CB 3.35Å; E329-A333 PolarHBondContact O-N 2.94Å; E329-R549 HydrophobicContact CG-CB 4.01Å; E329-R549 IonicContact OE1-CZ 3.58Å; E329-R549 IonicContact OE1-NE 3.43Å; E329-R549 PolarHBondContact OE1-NE 3.41Å; E329-R549 IonicContact OE1-NH2 2.73Å; E329-R549 PolarHBondContact OE1-NH2 3.03Å; E329-R549 IonicContact OE2-NH2 2.77Å; E329-Y553 HydrophobicContact CB-CD1 4.13Å; E329-Y553 HydrophobicContact CB-CD2 4.02Å; E329-Y553 HydrophobicContact CB-CG 3.67Å; E329-Y553 HydrophobicContact CG-CG 4.46Å
330E98.2Very high96.8Very high39 Ų3935.8 Ų35.818%0.18220%0.195CC..Hα-helixtrans-70.8-40.3173.2-62.6-155138.800112H326 T327 I332 A333 L334 Y553 K557H326-E330 HydrophobicContact CB-CB 3.95Å; H326-E330 IonicContact CE1-OE2 3.89Å; H326-E330 IonicContact CG-OE2 2.69Å; H326-E330 IonicContact ND1-OE2 3.03Å; H326-E330 PolarHBondContact ND1-OE2 3.17Å; T327-E330 HydrophobicContact CG2-CG 4.38Å; T327-E330 PolarHBondContact O-N 2.98Å; T327-E330 PolarHBondContact OG1-N 3.32Å; E330-I332 VanDerWaalsContact C-N 3.31Å; E330-I332 PolarHBondContact O-N 3.07Å; E330-A333 PolarHBondContact O-N 3.06Å; E330-L334 WeakPolarHBondContact O-CB 3.35Å; E330-L334 VanDerWaalsContact O-CG 3.3Å; E330-L334 WeakPolarHBondContact O-CG 3.43Å; E330-L334 PolarHBondContact O-N 3.28Å; E330-Y553 HydrophobicContact CG-CE2 3.81Å; E330-Y553 WeakPolarHBondContact CG-OH 3.33Å; E330-Y553 PolarHBondContact OE1-OH 3.39Å; E330-Y553 VanDerWaalsContact OE1-OH 3.12Å; E330-K557 IonicContact OE1-NZ 2.73Å; E330-K557 PolarHBondContact OE1-NZ 2.96Å
331E98.2Very high96.8Very high3 Ų332 Ų321%0.01417%0.17CC..Hα-helixtrans-62.2-37.2174.3-66.6-167.3130.500112L206 R207 Q260 F261 H326 T327 P328 G335 P336L206-E331 HydrophobicContact CD1-CB 3.58Å; R207-E331 WeakPolarHBondContact CA-OE2 3.49Å; R207-E331 PolarHBondContact N-OE2 3.25Å; Q260-E331 PolarHBondContact NE2-OE1 3.08Å; F261-E331 HydrophobicContact CE2-CB 4.22Å; F261-E331 HydrophobicContact CE2-CG 4Å; F261-E331 HydrophobicContact CZ-CB 4.12Å; F261-E331 HydrophobicContact CZ-CG 4.15Å; H326-E331 HydrophobicContact CB-CG 3.77Å; T327-E331 PolarHBondContact O-N 2.81Å; P328-E331 PolarHBondContact O-N 3.11Å; E331-G335 PolarHBondContact O-N 2.9Å; E331-P336 WeakPolarHBondContact O-CD 3.26Å
332I98.6Very high97Very high2 Ų228.7 Ų28.71%0.0115%0.153CC..Hα-helixtrans-71-38.1172.6-66.8165.3000111.9L206 P328 E330 L334 P336 I368 I542 D546 F550L206-I332 HydrophobicContact CD1-CD1 4.46Å; L206-I332 HydrophobicContact CD1-CG1 3.89Å; L206-I332 HydrophobicContact CD2-CD1 4.04Å; L206-I332 HydrophobicContact CD2-CG1 4.15Å; P328-I332 WeakPolarHBondContact O-CD1 3.41Å; P328-I332 VanDerWaalsContact O-CG1 3.26Å; P328-I332 WeakPolarHBondContact O-CG1 3.5Å; P328-I332 PolarHBondContact O-N 3.4Å; E330-I332 VanDerWaalsContact C-N 3.31Å; E330-I332 PolarHBondContact O-N 3.07Å; I332-L334 VanDerWaalsContact C-N 3.31Å; I332-L334 PolarHBondContact O-N 3.31Å; I332-P336 WeakPolarHBondContact O-CD 3.49Å; I332-I368 HydrophobicContact CG2-CD1 4.48Å; I332-I542 HydrophobicContact CD1-CG2 3.74Å; I332-I542 HydrophobicContact CG1-CD1 4.12Å; I332-I542 HydrophobicContact CG1-CG2 4.27Å; I332-I542 HydrophobicContact CG2-CD1 3.9Å; I332-D546 HydrophobicContact CD1-CB 3.85Å; I332-F550 HydrophobicContact CB-CB 4.38Å; I332-F550 HydrophobicContact CB-CD2 4.18Å; I332-F550 HydrophobicContact CB-CG 4.29Å; I332-F550 HydrophobicContact CD1-CB 4.32Å; I332-F550 HydrophobicContact CG2-CB 3.86Å; I332-F550 HydrophobicContact CG2-CD1 3.83Å; I332-F550 HydrophobicContact CG2-CD2 3.66Å; I332-F550 HydrophobicContact CG2-CE1 4.29Å; I332-F550 HydrophobicContact CG2-CE2 4.15Å; I332-F550 HydrophobicContact CG2-CG 3.48Å; I332-F550 VanDerWaalsContact CG2-CG 3.48Å; I332-F550 HydrophobicContact CG2-CZ 4.43Å
333A98.5Very high97.2Very high2 Ų224.6 Ų24.62%0.01713%0.126CC..Hα-helixtrans-67.1-32.5178.700000112.8E329 E330 A337 S371 F550 Y553 F558E329-A333 VanDerWaalsContact O-CB 3.24Å; E329-A333 WeakPolarHBondContact O-CB 3.35Å; E329-A333 PolarHBondContact O-N 2.94Å; E330-A333 PolarHBondContact O-N 3.06Å; A333-A337 WeakPolarHBondContact O-CB 3.27Å; A333-S371 WeakPolarHBondContact O-CB 3.31Å; A333-S371 PolarHBondContact O-OG 3.41Å; A333-F550 HydrophobicContact CB-CD2 4.31Å; A333-F550 HydrophobicContact CB-CE2 3.81Å; A333-Y553 HydrophobicContact CB-CE1 3.97Å; A333-F558 HydrophobicContact CB-CZ 4.17Å
334L98.4Very high97.5Very high39 Ų3923.1 Ų23.120%0.20412%0.121CC..Hα-helixtrans-102.8-51.7-171.6-62173000113.2F261 E330 I332 A337 C338 Q375F261-L334 HydrophobicContact CB-CB 3.67Å; F261-L334 HydrophobicContact CB-CD1 4.48Å; F261-L334 HydrophobicContact CD1-CB 4.47Å; F261-L334 HydrophobicContact CD2-CB 3.55Å; F261-L334 HydrophobicContact CD2-CD1 3.92Å; F261-L334 HydrophobicContact CD2-CG 4.4Å; F261-L334 HydrophobicContact CE2-CB 4.29Å; F261-L334 HydrophobicContact CG-CB 3.64Å; E330-L334 WeakPolarHBondContact O-CB 3.35Å; E330-L334 VanDerWaalsContact O-CG 3.3Å; E330-L334 WeakPolarHBondContact O-CG 3.43Å; E330-L334 PolarHBondContact O-N 3.28Å; I332-L334 VanDerWaalsContact C-N 3.31Å; I332-L334 PolarHBondContact O-N 3.31Å; L334-A337 WeakPolarHBondContact O-CB 3.33Å; L334-A337 PolarHBondContact O-N 3.16Å; L334-C338 PolarHBondContact O-N 2.67Å; L334-C338 PolarHBondContact O-SG 2.91Å; L334-Q375 HydrophobicContact CD2-CG 4.29Å
335G97.9Very high97.8Very high0 Ų021.5 Ų21.50%011%0.105CC..Hα-helixtrans-63.3-60.1-171.700000114.4E331 A337 C338 W339E331-G335 PolarHBondContact O-N 2.9Å; G335-A337 PolarHBondContact O-N 3.34Å; G335-A337 VanDerWaalsContact O-N 3.17Å; G335-C338 PolarHBondContact O-N 3.22Å; G335-C338 VanDerWaalsContact O-N 3.15Å; G335-W339 PolarHBondContact O-N 3.26Å
336P98.6Very high98Very high1 Ų118.9 Ų18.91%0.0069%0.09CC..Hα-helixtrans-52.4-32.3171.3-29.736.5000114.1E331 I332 L340 I368 I542 V658E331-P336 WeakPolarHBondContact O-CD 3.26Å; I332-P336 WeakPolarHBondContact O-CD 3.49Å; P336-L340 WeakPolarHBondContact O-CG 3.43Å; P336-L340 PolarHBondContact O-N 3.22Å; P336-I368 HydrophobicContact CB-CD1 4.04Å; P336-I368 HydrophobicContact CB-CG2 3.79Å; P336-I542 HydrophobicContact CG-CD1 4.17Å; P336-V658 HydrophobicContact CB-CG1 4.31Å; P336-V658 HydrophobicContact CG-CG1 4.27Å
337A98.7Very high98Very high0 Ų018.2 Ų18.20%09%0.092CC..Hα-helixtrans-72.3-42.8177.600000112.4A333 L334 G335 L340 W341 I368 M372A333-A337 WeakPolarHBondContact O-CB 3.27Å; L334-A337 WeakPolarHBondContact O-CB 3.33Å; L334-A337 PolarHBondContact O-N 3.16Å; G335-A337 PolarHBondContact O-N 3.34Å; G335-A337 VanDerWaalsContact O-N 3.17Å; A337-L340 PolarHBondContact O-N 3.42Å; A337-W341 PolarHBondContact O-N 2.95Å; A337-I368 HydrophobicContact CB-CG2 4.06Å; A337-M372 HydrophobicContact CB-CB 3.99Å; A337-M372 WeakPolarHBondContact O-CG 3.06Å
338C98.6Very high97.8Very high1 Ų118.2 Ų18.21%0.00710%0.104CC..Hα-helixtrans-67.9-35.8173.1-63.20000112Y241 L263 L334 G335 W341 D342 Q375Y241-C338 HydrophobicContact CD2-CB 4.32Å; Y241-C338 HydrophobicContact CE2-CB 3.36Å; Y241-C338 WeakPolarHBondContact OH-CB 3.19Å; L263-C338 HydrophobicContact CD2-CB 4.37Å; L334-C338 PolarHBondContact O-N 2.67Å; L334-C338 PolarHBondContact O-SG 2.91Å; G335-C338 PolarHBondContact O-N 3.22Å; G335-C338 VanDerWaalsContact O-N 3.15Å; C338-W341 WeakPolarHBondContact O-CB 3.42Å; C338-W341 PolarHBondContact O-N 3.44Å; C338-D342 PolarHBondContact O-N 3.34Å; C338-Q375 PolarHBondContact SG-OE1 3.41Å; C338-Q375 VanDerWaalsContact SG-OE1 3.36Å
339W98.7Very high97.8Very high0 Ų020 Ų200%011%0.11CC..Hα-helixtrans-62.1-44.1172.8-175.779.3000111.7C235 Q238 Y241 G335 W341 D342 Y343 I536 V658C235-W339 HydrophobicContact CB-CG 4.42Å; C235-W339 PolarHBondContact SG-NE1 3.22Å; C235-W339 VanDerWaalsContact SG-NE1 3.37Å; Q238-W339 PolarHBondContact O-NE1 2.73Å; Q238-W339 VanDerWaalsContact O-NE1 3.08Å; Y241-W339 HydrophobicContact CD2-CB 3.86Å; Y241-W339 HydrophobicContact CG-CB 4.39Å; G335-W339 PolarHBondContact O-N 3.26Å; W339-W341 VanDerWaalsContact C-N 3.34Å; W339-W341 PolarHBondContact O-N 3.36Å; W339-D342 PolarHBondContact O-N 2.86Å; W339-Y343 HydrophobicContact CH2-CD2 4.25Å; W339-Y343 AromaticContact CZ2-CD2 3.75Å; W339-Y343 HydrophobicContact CZ2-CD2 3.75Å; W339-Y343 HydrophobicContact CZ2-CE2 4.01Å; W339-Y343 WeakPolarHBondContact O-CB 3.49Å; W339-Y343 PolarHBondContact O-N 3.05Å; W339-I536 HydrophobicContact CH2-CB 3.82Å; W339-I536 HydrophobicContact CH2-CD1 4.41Å; W339-I536 HydrophobicContact CH2-CG2 3.95Å; W339-I536 HydrophobicContact CZ3-CB 4.15Å; W339-I536 HydrophobicContact CZ3-CD1 4.18Å; W339-V658 HydrophobicContact CB-CG2 4.01Å; W339-V658 HydrophobicContact CD2-CB 3.81Å; W339-V658 HydrophobicContact CD2-CG2 3.71Å; W339-V658 HydrophobicContact CE3-CB 3.73Å; W339-V658 HydrophobicContact CE3-CG2 4.07Å; W339-V658 HydrophobicContact CG-CB 4.32Å; W339-V658 HydrophobicContact CG-CG2 3.66Å; W339-V658 HydrophobicContact CH2-CB 4.41Å; W339-V658 HydrophobicContact CZ3-CB 4.03Å
340L98.7Very high97.6Very high0 Ų018.9 Ų18.90%011%0.106CC..Hα-helixtrans-62.2-38.3172.7-76.5-172.6000112.7P336 A337 L344 F352 I368 V369 M372 L513 I536 P538P336-L340 WeakPolarHBondContact O-CG 3.43Å; P336-L340 PolarHBondContact O-N 3.22Å; A337-L340 PolarHBondContact O-N 3.42Å; L340-L344 WeakPolarHBondContact O-CB 3.23Å; L340-L344 PolarHBondContact O-N 3.31Å; L340-F352 HydrophobicContact CB-CE2 4.36Å; L340-F352 HydrophobicContact CB-CZ 3.89Å; L340-F352 HydrophobicContact CD1-CE2 4.4Å; L340-F352 HydrophobicContact CD1-CZ 4.3Å; L340-F352 HydrophobicContact CD2-CE1 4.06Å; L340-F352 HydrophobicContact CD2-CZ 3.94Å; L340-F352 HydrophobicContact CG-CZ 4.27Å; L340-I368 HydrophobicContact CD1-CG2 3.95Å; L340-V369 HydrophobicContact CD1-CG2 3.67Å; L340-M372 HydrophobicContact CB-SD 3.98Å; L340-L513 HydrophobicContact CD2-CD2 4.03Å; L340-I536 HydrophobicContact CD2-CD1 3.58Å; L340-I536 HydrophobicContact CD2-CG1 4.45Å; L340-P538 HydrophobicContact CD1-CB 3.96Å; L340-P538 HydrophobicContact CD1-CG 4.21Å; L340-P538 HydrophobicContact CD2-CB 4.16Å; L340-P538 HydrophobicContact CG-CB 4.08Å
341W98.5Very high97.6Very high2 Ų217 Ų171%0.00810%0.097CC..Hα-helixtrans-60.1-51.8176.8170.6-119.6000111.9L263 A337 C338 W339 L344 R345 M372 I376 V387 D390 I391L263-W341 HydrophobicContact CD2-CB 4.22Å; L263-W341 HydrophobicContact CD2-CG 4.02Å; A337-W341 PolarHBondContact O-N 2.95Å; C338-W341 WeakPolarHBondContact O-CB 3.42Å; C338-W341 PolarHBondContact O-N 3.44Å; W339-W341 VanDerWaalsContact C-N 3.34Å; W339-W341 PolarHBondContact O-N 3.36Å; W341-L344 PolarHBondContact O-N 3.25Å; W341-R345 HydrophobicContact CH2-CB 4.3Å; W341-R345 HydrophobicContact CZ2-CB 4.48Å; W341-R345 HydrophobicContact CZ3-CB 4.38Å; W341-R345 WeakPolarHBondContact O-CG 3.46Å; W341-R345 PolarHBondContact O-N 3.08Å; W341-M372 HydrophobicContact CB-CG 3.93Å; W341-M372 HydrophobicContact CB-SD 4.07Å; W341-I376 HydrophobicContact CD2-CD1 4.33Å; W341-I376 HydrophobicContact CD2-CG1 4.34Å; W341-I376 HydrophobicContact CE3-CD1 3.71Å; W341-I376 HydrophobicContact CE3-CG1 4.15Å; W341-I376 HydrophobicContact CZ3-CD1 4.04Å; W341-I376 HydrophobicContact CZ3-CG1 4.46Å; W341-V387 HydrophobicContact CZ2-CG1 4.16Å; W341-V387 HydrophobicContact CZ2-CG2 4.44Å; W341-D390 HydrophobicContact CH2-CB 3.5Å; W341-D390 HydrophobicContact CZ2-CB 3.59Å; W341-I391 HydrophobicContact CE3-CD1 4.47Å; W341-I391 HydrophobicContact CH2-CD1 3.65Å; W341-I391 HydrophobicContact CH2-CG1 3.73Å; W341-I391 HydrophobicContact CZ3-CD1 3.43Å; W341-I391 VanDerWaalsContact CZ3-CD1 3.43Å; W341-I391 HydrophobicContact CZ3-CG1 4.07Å
342D98.5Very high97.7Very high2 Ų216.9 Ų16.91%0.01110%0.096CC..Hα-helixtrans-63.4-44.6178.4-77.2-30.2000112.3N13 G234 C235 C338 W339 L344 R345 R346N13-D342 VanDerWaalsContact ND2-CG 3.26Å; N13-D342 PolarHBondContact ND2-OD1 2.91Å; N13-D342 PolarHBondContact ND2-OD2 3.49Å; G234-D342 WeakPolarHBondContact CA-OD2 3.41Å; C235-D342 HydrophobicContact CB-CB 3.55Å; C235-D342 PolarHBondContact N-OD2 2.81Å; C338-D342 PolarHBondContact O-N 3.34Å; W339-D342 PolarHBondContact O-N 2.86Å; D342-L344 VanDerWaalsContact C-N 3.29Å; D342-L344 PolarHBondContact O-N 3.05Å; D342-R345 IonicContact OD1-CZ 2.99Å; D342-R345 VanDerWaalsContact OD1-CZ 3.23Å; D342-R345 IonicContact OD1-NE 2.9Å; D342-R345 PolarHBondContact OD1-NE 2.84Å; D342-R345 IonicContact OD1-NH2 3.85Å; D342-R345 PolarHBondContact OD1-NH2 3.3Å; D342-R346 WeakPolarHBondContact O-CB 3.35Å; D342-R346 VanDerWaalsContact O-CG 3.25Å; D342-R346 WeakPolarHBondContact O-CG 3.34Å; D342-R346 PolarHBondContact O-N 3.2Å
343Y98Very high97.7Very high69 Ų6916.8 Ų16.827%0.27110%0.096SC..Hα-helixtrans-61.8-40179-146.9-74.2000111.5W339 S347 L511 I536W339-Y343 HydrophobicContact CH2-CD2 4.25Å; W339-Y343 AromaticContact CZ2-CD2 3.75Å; W339-Y343 HydrophobicContact CZ2-CD2 3.75Å; W339-Y343 HydrophobicContact CZ2-CE2 4.01Å; W339-Y343 WeakPolarHBondContact O-CB 3.49Å; W339-Y343 PolarHBondContact O-N 3.05Å; Y343-S347 WeakPolarHBondContact O-CB 3.45Å; Y343-S347 PolarHBondContact O-N 3.45Å; Y343-S347 VanDerWaalsContact O-N 3.12Å; Y343-S347 PolarHBondContact O-OG 2.91Å; Y343-L511 HydrophobicContact CD1-CD1 4.06Å; Y343-I536 HydrophobicContact CD1-CD1 3.84Å; Y343-I536 HydrophobicContact CD1-CG2 3.98Å; Y343-I536 HydrophobicContact CD2-CG2 4.27Å; Y343-I536 HydrophobicContact CE1-CD1 4.43Å; Y343-I536 HydrophobicContact CE1-CG2 3.54Å; Y343-I536 HydrophobicContact CE2-CG2 3.89Å; Y343-I536 HydrophobicContact CG-CD1 3.98Å; Y343-I536 HydrophobicContact CG-CG2 4.33Å
344L97.9Very high97.7Very high0 Ų016.7 Ų16.70%010%0.095CC..Hα-helixtrans-68.5-51.1-180179.164.2000111.9L340 W341 D342 R346 S347 G348 Q349 F352 M372 L394 L511L340-L344 WeakPolarHBondContact O-CB 3.23Å; L340-L344 PolarHBondContact O-N 3.31Å; W341-L344 PolarHBondContact O-N 3.25Å; D342-L344 VanDerWaalsContact C-N 3.29Å; D342-L344 PolarHBondContact O-N 3.05Å; L344-R346 PolarHBondContact O-N 3.23Å; L344-S347 PolarHBondContact O-N 3.46Å; L344-S347 PolarHBondContact O-OG 3.2Å; L344-S347 VanDerWaalsContact O-OG 3.12Å; L344-G348 PolarHBondContact O-N 2.75Å; L344-Q349 HydrophobicContact CD1-CB 4.34Å; L344-Q349 WeakPolarHBondContact CD1-O 3.43Å; L344-F352 HydrophobicContact CB-CE1 4.36Å; L344-F352 HydrophobicContact CB-CE2 4.43Å; L344-F352 HydrophobicContact CB-CZ 3.78Å; L344-F352 HydrophobicContact CD1-CE1 4.28Å; L344-F352 HydrophobicContact CD1-CZ 4.22Å; L344-F352 HydrophobicContact CD2-CD2 4.41Å; L344-F352 HydrophobicContact CD2-CE2 3.76Å; L344-F352 HydrophobicContact CD2-CZ 3.96Å; L344-F352 HydrophobicContact CG-CE2 4.47Å; L344-F352 HydrophobicContact CG-CZ 4.19Å; L344-M372 HydrophobicContact CD2-CE 4.16Å; L344-L394 HydrophobicContact CD1-CD1 4.09Å; L344-L394 HydrophobicContact CD2-CD1 3.67Å; L344-L394 HydrophobicContact CG-CD1 3.51Å; L344-L511 HydrophobicContact CD1-CD1 4.4Å
345R96.9Very high97.7Very high39 Ų3915.8 Ų15.815%0.1479%0.092CC..Hα-helixtrans-68.3-35.6-178.377.5-159.2-17796.45.6112.7N13 D265 W341 D342 D390N13-R345 PolarHBondContact ND2-NH2 3.44Å; N13-R345 VanDerWaalsContact ND2-NH2 3.19Å; D265-R345 IonicContact OD1-CZ 3.06Å; D265-R345 IonicContact OD1-NH1 3.77Å; D265-R345 PolarHBondContact OD1-NH1 3.18Å; D265-R345 IonicContact OD1-NH2 3.74Å; D265-R345 PolarHBondContact OD1-NH2 2.98Å; D265-R345 IonicContact OD2-NH1 3.55Å; D265-R345 IonicContact OD2-NH2 3.5Å; W341-R345 HydrophobicContact CH2-CB 4.3Å; W341-R345 HydrophobicContact CZ2-CB 4.48Å; W341-R345 HydrophobicContact CZ3-CB 4.38Å; W341-R345 WeakPolarHBondContact O-CG 3.46Å; W341-R345 PolarHBondContact O-N 3.08Å; D342-R345 IonicContact OD1-CZ 2.99Å; D342-R345 VanDerWaalsContact OD1-CZ 3.23Å; D342-R345 IonicContact OD1-NE 2.9Å; D342-R345 PolarHBondContact OD1-NE 2.84Å; D342-R345 IonicContact OD1-NH2 3.85Å; D342-R345 PolarHBondContact OD1-NH2 3.3Å; R345-D390 WeakPolarHBondContact CD-OD2 3.34Å; R345-D390 IonicContact CZ-OD2 2.74Å; R345-D390 IonicContact NE-OD2 3.59Å; R345-D390 IonicContact NH1-OD2 3.84Å; R345-D390 PolarHBondContact NH1-OD2 2.86Å
346R97.3Very high97.7Very high33 Ų3315.9 Ų15.913%0.1259%0.092CC..Hα-helixtrans-78.7-21.6179.7-65172-178.9-158.7-15.7113.6N13 Q14 W15 C235 D342 L344N13-R346 VanDerWaalsContact CG-NH2 3.34Å; N13-R346 PolarHBondContact O-NH2 3.06Å; N13-R346 PolarHBondContact OD1-NH1 2.94Å; N13-R346 VanDerWaalsContact OD1-NH1 3.13Å; N13-R346 PolarHBondContact OD1-NH2 3.1Å; Q14-R346 PolarHBondContact O-NH1 3.32Å; W15-R346 HydrophobicContact CD2-CB 4.47Å; W15-R346 HydrophobicContact CD2-CG 4.21Å; W15-R346 HydrophobicContact CE3-CG 4.25Å; W15-R346 HydrophobicContact CH2-CB 4.09Å; W15-R346 HydrophobicContact CZ2-CB 3.9Å; W15-R346 HydrophobicContact CZ2-CG 4.49Å; W15-R346 HydrophobicContact CZ3-CB 4.46Å; W15-R346 HydrophobicContact CZ3-CG 4.4Å; C235-R346 PolarHBondContact O-NH1 3.13Å; D342-R346 WeakPolarHBondContact O-CB 3.35Å; D342-R346 VanDerWaalsContact O-CG 3.25Å; D342-R346 WeakPolarHBondContact O-CG 3.34Å; D342-R346 PolarHBondContact O-N 3.2Å; L344-R346 PolarHBondContact O-N 3.23Å
347S96.3Very high97.6Very high41 Ų4118.8 Ų18.829%0.28711%0.112SC..Hα-helixtrans-89.5-6.3176.162.60000114.8Y343 L344 Q349Y343-S347 WeakPolarHBondContact O-CB 3.45Å; Y343-S347 PolarHBondContact O-N 3.45Å; Y343-S347 VanDerWaalsContact O-N 3.12Å; Y343-S347 PolarHBondContact O-OG 2.91Å; L344-S347 PolarHBondContact O-N 3.46Å; L344-S347 PolarHBondContact O-OG 3.2Å; L344-S347 VanDerWaalsContact O-OG 3.12Å; S347-Q349 PolarHBondContact O-N 2.99Å; S347-Q349 PolarHBondContact O-NE2 2.98Å
348G92.9Very high97.4Very high60 Ų6018.8 Ų18.862%0.61911%0.112SC*.THydrogen-bonded Turntrans63.917.5-179.900000115L344L344-G348 PolarHBondContact O-N 2.75Å
349Q95.7Very high97.3Very high60 Ų6019.7 Ų19.728%0.2812%0.122SC..  trans-85.2146.8179.9-61.9-50.5-51.800112L344 S347 G351 L394 G509 L511L344-Q349 HydrophobicContact CD1-CB 4.34Å; L344-Q349 WeakPolarHBondContact CD1-O 3.43Å; S347-Q349 PolarHBondContact O-N 2.99Å; S347-Q349 PolarHBondContact O-NE2 2.98Å; Q349-G351 PolarHBondContact O-N 2.94Å; Q349-L394 WeakPolarHBondContact O-CG 3.34Å; Q349-G509 PolarHBondContact OE1-O 2.97Å; Q349-L511 HydrophobicContact CB-CD1 4.47Å; Q349-L511 HydrophobicContact CB-CG 3.98Å; Q349-L511 HydrophobicContact CG-CD2 3.89Å; Q349-L511 HydrophobicContact CG-CG 3.84Å
350G95.6Very high97.2Very high3 Ų320.1 Ų20.13%0.03113%0.125CC..SBendtrans-79.84.2-172.300000115.2R506 G509G350-R506 PolarHBondContact O-NH1 3.4Å; G350-R506 PolarHBondContact O-NH2 3.05Å; G350-G509 PolarHBondContact N-O 2.85Å
351G98.1Very high97.1Very high0 Ų021 Ų210%013%0.13CC..  trans152.8-158.5179.500000113.6Q349 L412 L510 L511Q349-G351 PolarHBondContact O-N 2.94Å; G351-L412 CarbonylContact C-O 3.53Å; G351-L412 VanDerWaalsContact CA-O 3.24Å; G351-L412 WeakPolarHBondContact CA-O 3.4Å; G351-L510 VanDerWaalsContact C-CD2 3.45Å; G351-L510 WeakPolarHBondContact O-CA 3.16Å; G351-L511 PolarHBondContact O-N 3.31Å
352F98.8Very high97.1Very high0 Ų021.1 Ų21.10%013%0.13CC..EExtended strand (participates in β ladder)trans-120.4147.4-178.5-63.4-62000112.5L340 L344 V369 M372 L412 L413 V414 L511 L513 I536L340-F352 HydrophobicContact CB-CE2 4.36Å; L340-F352 HydrophobicContact CB-CZ 3.89Å; L340-F352 HydrophobicContact CD1-CE2 4.4Å; L340-F352 HydrophobicContact CD1-CZ 4.3Å; L340-F352 HydrophobicContact CD2-CE1 4.06Å; L340-F352 HydrophobicContact CD2-CZ 3.94Å; L340-F352 HydrophobicContact CG-CZ 4.27Å; L344-F352 HydrophobicContact CB-CE1 4.36Å; L344-F352 HydrophobicContact CB-CE2 4.43Å; L344-F352 HydrophobicContact CB-CZ 3.78Å; L344-F352 HydrophobicContact CD1-CE1 4.28Å; L344-F352 HydrophobicContact CD1-CZ 4.22Å; L344-F352 HydrophobicContact CD2-CD2 4.41Å; L344-F352 HydrophobicContact CD2-CE2 3.76Å; L344-F352 HydrophobicContact CD2-CZ 3.96Å; L344-F352 HydrophobicContact CG-CE2 4.47Å; L344-F352 HydrophobicContact CG-CZ 4.19Å; F352-V369 HydrophobicContact CD2-CG1 3.85Å; F352-V369 HydrophobicContact CD2-CG2 3.94Å; F352-V369 HydrophobicContact CE2-CG1 4.31Å; F352-V369 HydrophobicContact CE2-CG2 4.25Å; F352-M372 HydrophobicContact CE2-CE 3.9Å; F352-M372 HydrophobicContact CE2-SD 4Å; F352-L412 PolarHBondContact N-O 3.22Å; F352-L413 HydrophobicContact CB-CD1 3.8Å; F352-V414 PolarHBondContact O-N 2.84Å; F352-L511 CarbonylContact C-O 3.52Å; F352-L511 WeakPolarHBondContact CA-O 3.49Å; F352-L511 HydrophobicContact CD1-CB 3.87Å; F352-L511 HydrophobicContact CD1-CD1 4.42Å; F352-L511 HydrophobicContact CE1-CB 4.19Å; F352-L511 HydrophobicContact CE1-CD1 3.93Å; F352-L513 HydrophobicContact CB-CD1 3.8Å; F352-L513 HydrophobicContact CB-CG 4.01Å; F352-L513 HydrophobicContact CD1-CD1 3.93Å; F352-L513 HydrophobicContact CD1-CD2 3.53Å; F352-L513 HydrophobicContact CD1-CG 3.75Å; F352-L513 HydrophobicContact CD2-CD1 4.38Å; F352-L513 HydrophobicContact CE1-CD2 3.85Å; F352-L513 HydrophobicContact CG-CD1 3.79Å; F352-L513 HydrophobicContact CG-CD2 4.26Å; F352-L513 HydrophobicContact CG-CG 4.05Å; F352-I536 HydrophobicContact CE1-CD1 4.17Å
353F98.8Very high97.1Very high0 Ų021 Ų210%013%0.13CC..EExtended strand (participates in β ladder)trans-116.6129.3165.7-177-86.2000109.9P355 V414 C416 M418 A493 F496 A497 L510 L511 V512 L513F353-P355 HydrophobicContact CE1-CG 4.14Å; F353-V414 WeakPolarHBondContact CA-O 3.47Å; F353-V414 HydrophobicContact CD2-CB 3.95Å; F353-V414 HydrophobicContact CD2-CG1 3.61Å; F353-V414 HydrophobicContact CE2-CG1 3.76Å; F353-C416 HydrophobicContact CE1-CB 4.22Å; F353-C416 HydrophobicContact CE2-CB 3.78Å; F353-C416 HydrophobicContact CZ-CB 3.32Å; F353-M418 HydrophobicContact CE1-CE 3.82Å; F353-M418 HydrophobicContact CZ-CE 3.72Å; F353-A493 HydrophobicContact CD1-CB 4.02Å; F353-A493 VanDerWaalsContact CE1-CA 3.45Å; F353-A493 HydrophobicContact CE1-CB 3.57Å; F353-F496 HydrophobicContact CD2-CB 3.92Å; F353-F496 HydrophobicContact CE2-CB 3.3Å; F353-F496 HydrophobicContact CE2-CG 4.14Å; F353-F496 HydrophobicContact CZ-CB 3.71Å; F353-F496 HydrophobicContact CZ-CG 4.4Å; F353-A497 HydrophobicContact CB-CB 3.77Å; F353-A497 HydrophobicContact CG-CB 4.11Å; F353-L510 HydrophobicContact CB-CB 3.96Å; F353-L510 HydrophobicContact CB-CD1 4.07Å; F353-L510 HydrophobicContact CD2-CD1 4.43Å; F353-L511 PolarHBondContact N-O 2.88Å; F353-V512 WeakPolarHBondContact O-CA 3.35Å; F353-L513 PolarHBondContact O-N 2.97Å
354L98.8Very high97.2Very high0 Ų017.7 Ų17.70%012%0.117CC..EExtended strand (participates in β ladder)trans-131.4117-176.4176.860.8000111.9L356 A366 L413 V414 T415 C416 L513L354-L356 PolarHBondContact O-N 2.94Å; L354-A366 HydrophobicContact CD2-CB 3.56Å; L354-L413 HydrophobicContact CB-CD1 3.99Å; L354-V414 PolarHBondContact N-O 3.41Å; L354-T415 HydrophobicContact CB-CG2 4.47Å; L354-T415 HydrophobicContact CD2-CG2 4.49Å; L354-T415 WeakPolarHBondContact O-CA 3.5Å; L354-C416 PolarHBondContact O-N 3.37Å; L354-L513 HydrophobicContact CB-CB 4.39Å; L354-L513 HydrophobicContact CD1-CB 3.9Å
355P98.4Very high97.2Very high21 Ų2117.7 Ų17.714%0.13612%0.117CC..EExtended strand (participates in β ladder)trans-63.4103165.5-19.933.1000110.4F353 S362 C416 A493 C531F353-P355 HydrophobicContact CE1-CG 4.14Å; P355-S362 WeakPolarHBondContact O-CB 3.35Å; P355-C416 CarbonylContact C-O 3.56Å; P355-C416 WeakPolarHBondContact CA-O 3.44Å; P355-A493 HydrophobicContact CG-CB 3.99Å; P355-C531 HydrophobicContact CB-CB 4.44Å; P355-C531 HydrophobicContact CG-CB 4.19Å
356L98.3Very high97.3Very high2 Ų215.9 Ų15.91%0.0111%0.11CC..  trans-98.2109.9-175.1-175.664.7000109.9L354 A366 T415 C416 Y417 A431 L434 A435L354-L356 PolarHBondContact O-N 2.94Å; L356-A366 HydrophobicContact CD1-CB 4.26Å; L356-T415 HydrophobicContact CB-CG2 4.41Å; L356-T415 HydrophobicContact CD2-CG2 4.09Å; L356-C416 PolarHBondContact N-O 3.36Å; L356-Y417 WeakPolarHBondContact O-CA 3.36Å; L356-Y417 WeakPolarHBondContact O-CD2 3.38Å; L356-A431 HydrophobicContact CD2-CB 4.14Å; L356-A431 VanDerWaalsContact CD2-O 3.32Å; L356-A431 WeakPolarHBondContact CD2-O 3.1Å; L356-A431 HydrophobicContact CG-CB 4.01Å; L356-L434 HydrophobicContact CD1-CD2 4.42Å; L356-A435 HydrophobicContact CD2-CB 4.02Å
357S96.2Very high97.4Very high61 Ų6114.3 Ų14.343%0.42710%0.104SC..  trans-90.9-12.8-175.8600000114.8G359 S362 T427S357-G359 PolarHBondContact O-N 3.49Å; S357-S362 PolarHBondContact N-OG 2.8Å; S357-S362 PolarHBondContact OG-OG 2.78Å; S357-T427 WeakPolarHBondContact O-CB 3.46Å
358G95Very high97.5Very high0 Ų012.3 Ų12.30%09%0.09CC..SBendtrans72.217.5-172.900000114.1R430G358-R430 PolarHBondContact O-NE 3.39Å
359G95.4Very high97.8Very high21 Ų219.5 Ų9.522%0.2166%0.061CC..SBendtrans-105.2174.716400000112S357 D361 S363S357-G359 PolarHBondContact O-N 3.49Å; G359-D361 PolarHBondContact O-N 3.07Å; G359-S363 VanDerWaalsContact O-CB 3.23Å; G359-S363 WeakPolarHBondContact O-CB 3.33Å; G359-S363 PolarHBondContact O-N 3.05Å; G359-S363 PolarHBondContact O-OG 2.98Å
360V97.3Very high97.9Very high8 Ų87 Ų75%0.0485%0.049CC..Hα-helixtrans-54.5-44.6-170.2170.20000114S363 S364 L547 R548 L551 I566V360-S363 PolarHBondContact O-N 2.97Å; V360-S364 WeakPolarHBondContact O-CB 3.23Å; V360-S364 PolarHBondContact O-N 2.89Å; V360-S364 PolarHBondContact O-OG 2.67Å; V360-L547 HydrophobicContact CG1-CB 4.1Å; V360-R548 HydrophobicContact CG1-CG 4.11Å; V360-R548 HydrophobicContact CG2-CG 4.29Å; V360-L551 HydrophobicContact CB-CD1 4.38Å; V360-L551 HydrophobicContact CG1-CD1 3.99Å; V360-I566 HydrophobicContact CG2-CG2 4.41Å
361D97.6Very high98.1Very high20 Ų207 Ų711%0.1075%0.049CC..Hα-helixtrans-76.5-50.2-164.7-43.2-94.8000111.8G359 S363 S364 S365 S515 N517 I539 K544G359-D361 PolarHBondContact O-N 3.07Å; D361-S363 PolarHBondContact O-N 3.41Å; D361-S364 WeakPolarHBondContact O-CA 3.28Å; D361-S364 WeakPolarHBondContact O-CB 3.32Å; D361-S364 PolarHBondContact O-N 3.05Å; D361-S365 PolarHBondContact O-N 2.86Å; D361-S515 VanDerWaalsContact CB-O 3.23Å; D361-S515 WeakPolarHBondContact CB-O 3.4Å; D361-N517 PolarHBondContact OD1-ND2 2.88Å; D361-I539 HydrophobicContact CB-CD1 3.73Å; D361-I539 VanDerWaalsContact O-CD1 3.28Å; D361-I539 WeakPolarHBondContact O-CD1 3.43Å; D361-K544 VanDerWaalsContact OD1-CD 3.3Å; D361-K544 WeakPolarHBondContact OD1-CD 3.37Å; D361-K544 WeakPolarHBondContact OD1-CE 3.43Å; D361-K544 IonicContact OD1-NZ 3.65Å; D361-K544 PolarHBondContact OD1-NZ 3.02Å; D361-K544 IonicContact OD2-NZ 2.7Å; D361-K544 PolarHBondContact OD2-NZ 3.49Å
362S98Very high98.1Very high3 Ų37 Ų72%0.0215%0.049CC..Hα-helixtrans-65-32.1174.463.20000112.1P355 S357 S364 S365 A366 S515P355-S362 WeakPolarHBondContact O-CB 3.35Å; S357-S362 PolarHBondContact N-OG 2.8Å; S357-S362 PolarHBondContact OG-OG 2.78Å; S362-S364 VanDerWaalsContact C-N 3.33Å; S362-S365 PolarHBondContact O-N 3.48Å; S362-A366 WeakPolarHBondContact O-CB 3.49Å; S362-A366 PolarHBondContact O-N 3.25Å; S362-S515 WeakPolarHBondContact CA-OG 3.31Å
363S98.6Very high98.1Very high0 Ų07 Ų70%05%0.049CC..Hα-helixtrans-66-35.5171-56.80000112.1G359 V360 D361 A366 T367 L434G359-S363 VanDerWaalsContact O-CB 3.23Å; G359-S363 WeakPolarHBondContact O-CB 3.33Å; G359-S363 PolarHBondContact O-N 3.05Å; G359-S363 PolarHBondContact O-OG 2.98Å; V360-S363 PolarHBondContact O-N 2.97Å; D361-S363 PolarHBondContact O-N 3.41Å; S363-A366 PolarHBondContact O-N 3.32Å; S363-T367 VanDerWaalsContact O-CB 3.28Å; S363-T367 WeakPolarHBondContact O-CB 3.49Å; S363-T367 PolarHBondContact O-N 3.38Å; S363-T367 PolarHBondContact O-OG1 3.48Å; S363-L434 VanDerWaalsContact CB-CD2 3.43Å; S363-L434 WeakPolarHBondContact OG-CD2 3.39Å
364S98.7Very high98.1Very high0 Ų011.3 Ų11.30%07%0.065CC..Hα-helixtrans-67.3-47.9174.2-57.90000111.8V360 D361 S362 A366 T367 I368V360-S364 WeakPolarHBondContact O-CB 3.23Å; V360-S364 PolarHBondContact O-N 2.89Å; V360-S364 PolarHBondContact O-OG 2.67Å; D361-S364 WeakPolarHBondContact O-CA 3.28Å; D361-S364 WeakPolarHBondContact O-CB 3.32Å; D361-S364 PolarHBondContact O-N 3.05Å; S362-S364 VanDerWaalsContact C-N 3.33Å; S364-A366 VanDerWaalsContact C-N 3.29Å; S364-A366 PolarHBondContact O-N 3.01Å; S364-T367 PolarHBondContact O-N 2.86Å; S364-T367 VanDerWaalsContact O-N 3.16Å; S364-I368 WeakPolarHBondContact O-CG1 3.23Å; S364-I368 PolarHBondContact O-N 3.38Å
365S98.7Very high98.1Very high0 Ų012.4 Ų12.40%07%0.07CC..Hα-helixtrans-55.2-44.5173.5-63.70000111.5D361 S362 I368 V369 G514 S515D361-S365 PolarHBondContact O-N 2.86Å; S362-S365 PolarHBondContact O-N 3.48Å; S365-I368 PolarHBondContact O-N 2.96Å; S365-V369 WeakPolarHBondContact O-CG2 3.41Å; S365-V369 PolarHBondContact O-N 3.31Å; S365-G514 PolarHBondContact OG-O 3.43Å; S365-G514 VanDerWaalsContact OG-O 3.09Å; S365-S515 WeakPolarHBondContact CB-OG 3.38Å; S365-S515 PolarHBondContact OG-OG 2.85Å
366A98.8Very high98.1Very high0 Ų011.4 Ų11.40%06%0.064CC..Hα-helixtrans-64.9-40.2178.100000112.6L354 L356 S362 S363 S364 V369 H370 L438L354-A366 HydrophobicContact CD2-CB 3.56Å; L356-A366 HydrophobicContact CD1-CB 4.26Å; S362-A366 WeakPolarHBondContact O-CB 3.49Å; S362-A366 PolarHBondContact O-N 3.25Å; S363-A366 PolarHBondContact O-N 3.32Å; S364-A366 VanDerWaalsContact C-N 3.29Å; S364-A366 PolarHBondContact O-N 3.01Å; A366-V369 PolarHBondContact O-N 3.46Å; A366-H370 PolarHBondContact O-N 2.94Å; A366-L438 HydrophobicContact CB-CD1 3.45Å; A366-L438 VanDerWaalsContact CB-CD1 3.45Å
367T98.8Very high98.1Very high0 Ų011.9 Ų11.90%07%0.067CC..Hα-helixtrans-69.4-33.9179.9-57.60000111.8S363 S364 H370 S371 F550 L551 A554 F558 L560S363-T367 VanDerWaalsContact O-CB 3.28Å; S363-T367 WeakPolarHBondContact O-CB 3.49Å; S363-T367 PolarHBondContact O-N 3.38Å; S363-T367 PolarHBondContact O-OG1 3.48Å; S364-T367 PolarHBondContact O-N 2.86Å; S364-T367 VanDerWaalsContact O-N 3.16Å; T367-H370 PolarHBondContact O-N 3.14Å; T367-S371 PolarHBondContact O-N 3.08Å; T367-F550 HydrophobicContact CG2-CE1 3.97Å; T367-F550 HydrophobicContact CG2-CE2 4.47Å; T367-F550 HydrophobicContact CG2-CZ 3.63Å; T367-L551 HydrophobicContact CG2-CD2 4.45Å; T367-A554 HydrophobicContact CG2-CB 3.52Å; T367-F558 HydrophobicContact CG2-CD2 3.9Å; T367-F558 HydrophobicContact CG2-CE2 4Å; T367-L560 HydrophobicContact CG2-CD1 4.09Å
368I98.8Very high98.1Very high0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-66.1-42.5172.7-68.2165.8000110.8I332 P336 A337 L340 S364 S365 H370 S371 M372 P538 I539 F550I332-I368 HydrophobicContact CG2-CD1 4.48Å; P336-I368 HydrophobicContact CB-CD1 4.04Å; P336-I368 HydrophobicContact CB-CG2 3.79Å; A337-I368 HydrophobicContact CB-CG2 4.06Å; L340-I368 HydrophobicContact CD1-CG2 3.95Å; S364-I368 WeakPolarHBondContact O-CG1 3.23Å; S364-I368 PolarHBondContact O-N 3.38Å; S365-I368 PolarHBondContact O-N 2.96Å; I368-H370 VanDerWaalsContact C-N 3.32Å; I368-H370 PolarHBondContact O-N 2.75Å; I368-S371 WeakPolarHBondContact O-CB 3.32Å; I368-S371 PolarHBondContact O-N 3.46Å; I368-S371 VanDerWaalsContact O-N 3.15Å; I368-M372 PolarHBondContact O-N 2.94Å; I368-P538 HydrophobicContact CD1-CB 4.36Å; I368-P538 HydrophobicContact CG2-CB 4.33Å; I368-I539 HydrophobicContact CD1-CG2 3.5Å; I368-I539 VanDerWaalsContact CD1-CG2 3.5Å; I368-F550 HydrophobicContact CD1-CE1 4.33Å; I368-F550 HydrophobicContact CG1-CE1 3.77Å; I368-F550 HydrophobicContact CG1-CZ 3.71Å
369V98.8Very high98.3Very high0 Ų014.2 Ų14.20%07%0.072CC..Hα-helixtrans-63.3-37.8174.51770000111.6L340 F352 S365 A366 M372 C373 L413 L513L340-V369 HydrophobicContact CD1-CG2 3.67Å; F352-V369 HydrophobicContact CD2-CG1 3.85Å; F352-V369 HydrophobicContact CD2-CG2 3.94Å; F352-V369 HydrophobicContact CE2-CG1 4.31Å; F352-V369 HydrophobicContact CE2-CG2 4.25Å; S365-V369 WeakPolarHBondContact O-CG2 3.41Å; S365-V369 PolarHBondContact O-N 3.31Å; A366-V369 PolarHBondContact O-N 3.46Å; V369-M372 HydrophobicContact CG1-CE 4.44Å; V369-M372 WeakPolarHBondContact O-CB 3.39Å; V369-M372 PolarHBondContact O-N 2.79Å; V369-C373 PolarHBondContact O-N 3.36Å; V369-C373 PolarHBondContact O-SG 3.27Å; V369-L413 HydrophobicContact CB-CD2 4.09Å; V369-L413 HydrophobicContact CG1-CB 3.96Å; V369-L413 HydrophobicContact CG1-CD1 4.27Å; V369-L413 HydrophobicContact CG1-CD2 3.93Å; V369-L413 HydrophobicContact CG1-CG 4.26Å; V369-L413 HydrophobicContact CG2-CD1 4.49Å; V369-L513 HydrophobicContact CG2-CD1 3.52Å
370H98.7Very high98.3Very high9 Ų914.1 Ų14.14%0.0427%0.066CC..Hα-helixtrans-68.3-36.8172.8-17791.9000112.1A366 T367 I368 M372 C373 R374 L438A366-H370 PolarHBondContact O-N 2.94Å; T367-H370 PolarHBondContact O-N 3.14Å; I368-H370 VanDerWaalsContact C-N 3.32Å; I368-H370 PolarHBondContact O-N 2.75Å; H370-M372 VanDerWaalsContact C-N 3.34Å; H370-M372 PolarHBondContact O-N 2.89Å; H370-C373 WeakPolarHBondContact O-CB 3.47Å; H370-C373 PolarHBondContact O-N 3.05Å; H370-C373 VanDerWaalsContact O-N 3.16Å; H370-R374 WeakPolarHBondContact O-CG 3.35Å; H370-R374 PolarHBondContact O-N 2.82Å; H370-L438 HydrophobicContact CB-CB 4.42Å; H370-L438 HydrophobicContact CB-CD2 3.57Å; H370-L438 HydrophobicContact CB-CG 4.46Å; H370-L438 PolarHBondContact ND1-O 2.97Å
371S98.7Very high98.3Very high3 Ų320.1 Ų20.12%0.0219%0.094CC..Hα-helixtrans-59.6-43.6171.5-168.80000111.7A333 T367 I368 C373 R374 Q375 F558A333-S371 WeakPolarHBondContact O-CB 3.31Å; A333-S371 PolarHBondContact O-OG 3.41Å; T367-S371 PolarHBondContact O-N 3.08Å; I368-S371 WeakPolarHBondContact O-CB 3.32Å; I368-S371 PolarHBondContact O-N 3.46Å; I368-S371 VanDerWaalsContact O-N 3.15Å; S371-C373 VanDerWaalsContact C-N 3.34Å; S371-C373 PolarHBondContact O-N 3.25Å; S371-R374 WeakPolarHBondContact O-CB 3.49Å; S371-R374 PolarHBondContact O-N 2.98Å; S371-R374 VanDerWaalsContact O-N 3.16Å; S371-Q375 PolarHBondContact O-N 3.04Å; S371-F558 WeakPolarHBondContact OG-CZ 3.42Å
372M98.8Very high98.2Very high0 Ų025.5 Ų25.50%012%0.119CC..Hα-helixtrans-56.8-47.7171.7-174.6-161.375.300110.9A337 L340 W341 L344 F352 I368 V369 H370 R374 Q375 I376 L412A337-M372 HydrophobicContact CB-CB 3.99Å; A337-M372 WeakPolarHBondContact O-CG 3.06Å; L340-M372 HydrophobicContact CB-SD 3.98Å; W341-M372 HydrophobicContact CB-CG 3.93Å; W341-M372 HydrophobicContact CB-SD 4.07Å; L344-M372 HydrophobicContact CD2-CE 4.16Å; F352-M372 HydrophobicContact CE2-CE 3.9Å; F352-M372 HydrophobicContact CE2-SD 4Å; I368-M372 PolarHBondContact O-N 2.94Å; V369-M372 HydrophobicContact CG1-CE 4.44Å; V369-M372 WeakPolarHBondContact O-CB 3.39Å; V369-M372 PolarHBondContact O-N 2.79Å; H370-M372 VanDerWaalsContact C-N 3.34Å; H370-M372 PolarHBondContact O-N 2.89Å; M372-R374 VanDerWaalsContact C-N 3.3Å; M372-R374 PolarHBondContact O-N 2.9Å; M372-Q375 PolarHBondContact O-N 2.76Å; M372-I376 HydrophobicContact CE-CD1 3.84Å; M372-I376 HydrophobicContact CG-CD1 3.81Å; M372-I376 WeakPolarHBondContact O-CD1 3.12Å; M372-I376 VanDerWaalsContact O-CG1 3.31Å; M372-I376 WeakPolarHBondContact O-CG1 3.2Å; M372-I376 PolarHBondContact O-N 3.27Å; M372-I376 HydrophobicContact SD-CD1 4.33Å; M372-L412 HydrophobicContact CE-CD1 3.66Å
373C98.7Very high98.1Very high0 Ų027.6 Ų27.60%014%0.14CC..Hα-helixtrans-60-36.5176.5-63.40000112.9V369 H370 S371 V377 A405 L408V369-C373 PolarHBondContact O-N 3.36Å; V369-C373 PolarHBondContact O-SG 3.27Å; H370-C373 WeakPolarHBondContact O-CB 3.47Å; H370-C373 PolarHBondContact O-N 3.05Å; H370-C373 VanDerWaalsContact O-N 3.16Å; S371-C373 VanDerWaalsContact C-N 3.34Å; S371-C373 PolarHBondContact O-N 3.25Å; C373-V377 WeakPolarHBondContact O-CG2 3.48Å; C373-V377 PolarHBondContact O-N 3.43Å; C373-V377 VanDerWaalsContact O-N 3.09Å; C373-A405 HydrophobicContact CB-CB 4.24Å; C373-L408 HydrophobicContact CB-CB 4.38Å; C373-L408 HydrophobicContact CB-CD2 4.03Å; C373-L408 HydrophobicContact CB-CG 4.24Å
374R98.5Very high97.9Very high89 Ų8928.6 Ų28.634%0.33615%0.146SC..Hα-helixtrans-66.2-44.7174.4-67.4171.274100.8-3112H370 S371 M372 V377 Q378 A405 K557 F558H370-R374 WeakPolarHBondContact O-CG 3.35Å; H370-R374 PolarHBondContact O-N 2.82Å; S371-R374 WeakPolarHBondContact O-CB 3.49Å; S371-R374 PolarHBondContact O-N 2.98Å; S371-R374 VanDerWaalsContact O-N 3.16Å; M372-R374 VanDerWaalsContact C-N 3.3Å; M372-R374 PolarHBondContact O-N 2.9Å; R374-V377 PolarHBondContact O-N 3.08Å; R374-Q378 WeakPolarHBondContact O-CB 3.5Å; R374-Q378 PolarHBondContact O-N 2.67Å; R374-A405 HydrophobicContact CB-CB 4.29Å; R374-A405 HydrophobicContact CG-CB 3.49Å; R374-A405 VanDerWaalsContact CG-CB 3.49Å; R374-K557 PolarHBondContact NH2-O 2.73Å; R374-F558 PolarHBondContact NH1-O 3.41Å
375Q98.3Very high97.7Very high24 Ų2430.7 Ų30.711%0.11216%0.163CC..Hα-helixtrans-63.7-41.5177.4-69.9-172.584.400111.7L263 L334 C338 S371 M372 Q378 A379L263-Q375 HydrophobicContact CD1-CB 3.97Å; L263-Q375 HydrophobicContact CD2-CB 4.38Å; L263-Q375 HydrophobicContact CG-CB 4.3Å; L334-Q375 HydrophobicContact CD2-CG 4.29Å; C338-Q375 PolarHBondContact SG-OE1 3.41Å; C338-Q375 VanDerWaalsContact SG-OE1 3.36Å; S371-Q375 PolarHBondContact O-N 3.04Å; M372-Q375 PolarHBondContact O-N 2.76Å; Q375-Q378 PolarHBondContact O-N 3.26Å; Q375-A379 WeakPolarHBondContact O-CB 3.4Å; Q375-A379 PolarHBondContact O-N 2.78Å
376I98.6Very high97.5Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-60.4-51.3176.1-70.3157.3000111L263 W341 M372 Q378 A379 V380 V387 I391 P402 L408 L412L263-I376 HydrophobicContact CD1-CB 4.38Å; L263-I376 HydrophobicContact CD1-CG1 3.8Å; W341-I376 HydrophobicContact CD2-CD1 4.33Å; W341-I376 HydrophobicContact CD2-CG1 4.34Å; W341-I376 HydrophobicContact CE3-CD1 3.71Å; W341-I376 HydrophobicContact CE3-CG1 4.15Å; W341-I376 HydrophobicContact CZ3-CD1 4.04Å; W341-I376 HydrophobicContact CZ3-CG1 4.46Å; M372-I376 HydrophobicContact CE-CD1 3.84Å; M372-I376 HydrophobicContact CG-CD1 3.81Å; M372-I376 WeakPolarHBondContact O-CD1 3.12Å; M372-I376 VanDerWaalsContact O-CG1 3.31Å; M372-I376 WeakPolarHBondContact O-CG1 3.2Å; M372-I376 PolarHBondContact O-N 3.27Å; M372-I376 HydrophobicContact SD-CD1 4.33Å; I376-Q378 VanDerWaalsContact C-N 3.29Å; I376-Q378 PolarHBondContact O-N 3.44Å; I376-A379 PolarHBondContact O-N 3.46Å; I376-V380 WeakPolarHBondContact O-CG2 3.48Å; I376-V380 PolarHBondContact O-N 3.4Å; I376-V387 HydrophobicContact CB-CG1 4.35Å; I376-V387 HydrophobicContact CG1-CG1 4.36Å; I376-V387 HydrophobicContact CG2-CG1 3.91Å; I376-I391 HydrophobicContact CD1-CD1 4.01Å; I376-I391 HydrophobicContact CG1-CD1 4.44Å; I376-I391 HydrophobicContact CG2-CD1 3.68Å; I376-I391 HydrophobicContact CG2-CG1 3.61Å; I376-P402 HydrophobicContact CG2-CG 4.31Å; I376-L408 HydrophobicContact CB-CD2 3.8Å; I376-L408 HydrophobicContact CD1-CD2 4.16Å; I376-L408 HydrophobicContact CG2-CD2 3.48Å; I376-L408 VanDerWaalsContact CG2-CD2 3.48Å; I376-L412 HydrophobicContact CD1-CD1 4.3Å
377V98.4Very high97.4Very high11 Ų1134 Ų347%0.06718%0.179CC..Hα-helixtrans-57.6-44.1177.2169.20000110.7C373 R374 V380 Q381 P402 L408C373-V377 WeakPolarHBondContact O-CG2 3.48Å; C373-V377 PolarHBondContact O-N 3.43Å; C373-V377 VanDerWaalsContact O-N 3.09Å; R374-V377 PolarHBondContact O-N 3.08Å; V377-V380 PolarHBondContact O-N 3.37Å; V377-Q381 HydrophobicContact CG1-CG 4.43Å; V377-Q381 VanDerWaalsContact CG1-NE2 3.3Å; V377-Q381 WeakPolarHBondContact O-CB 3.33Å; V377-Q381 VanDerWaalsContact O-CG 3.22Å; V377-Q381 WeakPolarHBondContact O-CG 3.22Å; V377-Q381 PolarHBondContact O-N 3.31Å; V377-P402 HydrophobicContact CG2-CB 3.94Å; V377-L408 HydrophobicContact CG2-CD2 4.2Å
378Q97.7Very high97.4Very high107 Ų10735.6 Ų35.650%0.519%0.187SC..Hα-helixtrans-63.7-44.8178.4-177.4178.6-27.900112.3R374 Q375 I376 Q381 Q382R374-Q378 WeakPolarHBondContact O-CB 3.5Å; R374-Q378 PolarHBondContact O-N 2.67Å; Q375-Q378 PolarHBondContact O-N 3.26Å; I376-Q378 VanDerWaalsContact C-N 3.29Å; I376-Q378 PolarHBondContact O-N 3.44Å; Q378-Q381 PolarHBondContact O-N 2.94Å; Q378-Q382 WeakPolarHBondContact O-CB 3.36Å; Q378-Q382 VanDerWaalsContact O-CG 3.27Å; Q378-Q382 WeakPolarHBondContact O-CG 3.45Å; Q378-Q382 PolarHBondContact O-N 3.43Å
379A97.5Very high97.2Very high4 Ų439.7 Ų39.73%0.03321%0.206CC..Hα-helixtrans-62.4-45.4178.500000111.5L263 Q375 I376 Q381 Q382 G383 D384 V387L263-A379 HydrophobicContact CD1-CB 4.21Å; Q375-A379 WeakPolarHBondContact O-CB 3.4Å; Q375-A379 PolarHBondContact O-N 2.78Å; I376-A379 PolarHBondContact O-N 3.46Å; A379-Q381 PolarHBondContact O-N 3.08Å; A379-Q382 CarbonylContact O-C 3.5Å; A379-Q382 WeakPolarHBondContact O-CA 3.44Å; A379-Q382 PolarHBondContact O-N 3.41Å; A379-Q382 VanDerWaalsContact O-N 3.1Å; A379-G383 PolarHBondContact O-N 2.86Å; A379-G383 VanDerWaalsContact O-N 3.13Å; A379-D384 HydrophobicContact CB-CB 3.9Å; A379-D384 VanDerWaalsContact O-CB 3.23Å; A379-D384 WeakPolarHBondContact O-CB 3.33Å; A379-D384 PolarHBondContact O-N 2.77Å; A379-V387 HydrophobicContact CB-CB 4.32Å; A379-V387 HydrophobicContact CB-CG1 4.21Å; A379-V387 HydrophobicContact CB-CG2 4.23Å
380V97.3Very high97.1Very high18 Ų1840.8 Ų40.811%0.10921%0.212CC..Hα-helixtrans-61.4-42.6175.1172.70000111.5I376 V377 Q382 G383 V387 L388 T401 P402I376-V380 WeakPolarHBondContact O-CG2 3.48Å; I376-V380 PolarHBondContact O-N 3.4Å; V377-V380 PolarHBondContact O-N 3.37Å; V380-Q382 VanDerWaalsContact C-N 3.25Å; V380-Q382 PolarHBondContact O-N 2.97Å; V380-G383 PolarHBondContact O-N 3.34Å; V380-V387 HydrophobicContact CG2-CG1 4.11Å; V380-L388 HydrophobicContact CG1-CD1 3.93Å; V380-L388 HydrophobicContact CG1-CD2 4.48Å; V380-L388 HydrophobicContact CG2-CB 4.05Å; V380-L388 HydrophobicContact CG2-CD1 4.26Å; V380-T401 HydrophobicContact CG1-CG2 3.94Å; V380-P402 HydrophobicContact CB-CG 4.15Å; V380-P402 HydrophobicContact CG1-CG 4.19Å; V380-P402 HydrophobicContact CG2-CG 3.83Å
381Q96.8Very high97Very high135 Ų13540.3 Ų40.363%0.63121%0.21SC*.Hα-helixtrans-66.2-25.5175.1-73.2174.63.800113.3V377 Q378 A379 G383 D403V377-Q381 HydrophobicContact CG1-CG 4.43Å; V377-Q381 VanDerWaalsContact CG1-NE2 3.3Å; V377-Q381 WeakPolarHBondContact O-CB 3.33Å; V377-Q381 VanDerWaalsContact O-CG 3.22Å; V377-Q381 WeakPolarHBondContact O-CG 3.22Å; V377-Q381 PolarHBondContact O-N 3.31Å; Q378-Q381 PolarHBondContact O-N 2.94Å; A379-Q381 PolarHBondContact O-N 3.08Å; Q381-G383 VanDerWaalsContact C-N 3.32Å; Q381-D403 PolarHBondContact NE2-O 3.08Å
382Q96.1Very high96.9Very high133 Ų13343.8 Ų43.862%0.62122%0.222SC*.THydrogen-bonded Turntrans-82.7-5.9172.7-72.4175-22.200113.4Q378 A379 V380Q378-Q382 WeakPolarHBondContact O-CB 3.36Å; Q378-Q382 VanDerWaalsContact O-CG 3.27Å; Q378-Q382 WeakPolarHBondContact O-CG 3.45Å; Q378-Q382 PolarHBondContact O-N 3.43Å; A379-Q382 CarbonylContact O-C 3.5Å; A379-Q382 WeakPolarHBondContact O-CA 3.44Å; A379-Q382 PolarHBondContact O-N 3.41Å; A379-Q382 VanDerWaalsContact O-N 3.1Å; V380-Q382 VanDerWaalsContact C-N 3.25Å; V380-Q382 PolarHBondContact O-N 2.97Å
383G95.3Very high96.7Very high46 Ų4649.9 Ų49.947%0.47425%0.251SS..THydrogen-bonded Turntrans96.716177.100000115.3A379 V380 Q381 A385A379-G383 PolarHBondContact O-N 2.86Å; A379-G383 VanDerWaalsContact O-N 3.13Å; V380-G383 PolarHBondContact O-N 3.34Å; Q381-G383 VanDerWaalsContact C-N 3.32Å; G383-A385 PolarHBondContact O-N 3.45Å; G383-A385 VanDerWaalsContact O-N 3.07Å
384D94.6Very high96.5Very high21 Ų2151 Ų5111%0.11226%0.256CS..  trans-66.5105.1177.2-165.2-44.9000111.4Q264 A379 Q386 V387 L388Q264-D384 WeakPolarHBondContact CG-OD2 3.39Å; Q264-D384 PolarHBondContact NE2-OD2 2.88Å; A379-D384 HydrophobicContact CB-CB 3.9Å; A379-D384 VanDerWaalsContact O-CB 3.23Å; A379-D384 WeakPolarHBondContact O-CB 3.33Å; A379-D384 PolarHBondContact O-N 2.77Å; D384-Q386 PolarHBondContact OD1-N 3.11Å; D384-V387 HydrophobicContact CB-CB 4.18Å; D384-V387 HydrophobicContact CB-CG2 4.32Å; D384-V387 PolarHBondContact OD1-N 2.69Å; D384-L388 WeakPolarHBondContact O-CB 3.42Å; D384-L388 PolarHBondContact O-N 3.1Å
385A94.7Very high96.3Very high44 Ų4447.1 Ų47.136%0.36424%0.243SC..Hα-helixtrans-73.7-28.7-177.200000113G383 H389 H772G383-A385 PolarHBondContact O-N 3.45Å; G383-A385 VanDerWaalsContact O-N 3.07Å; A385-H389 WeakPolarHBondContact O-CB 3.45Å; A385-H389 PolarHBondContact O-N 3.41Å; A385-H772 HydrophobicContact CB-CB 4.43Å
386Q94.4Very high96Very high69 Ų6949.1 Ų49.132%0.32226%0.263SS..Hα-helixtrans-76.3-47.1-179.7-169.465.25000110.2D384 L388 H389 D390D384-Q386 PolarHBondContact OD1-N 3.11Å; Q386-L388 PolarHBondContact O-N 2.74Å; Q386-H389 WeakPolarHBondContact O-CB 2.94Å; Q386-H389 PolarHBondContact O-N 2.83Å; Q386-D390 PolarHBondContact NE2-OD1 3.26Å; Q386-D390 PolarHBondContact O-N 3.46Å
387V96.7Very high95.8Very high1 Ų151.9 Ų51.91%0.00628%0.278CS..Hα-helixtrans-60.8-36.5175.9176.80000110.8L263 W341 I376 A379 V380 D384 I391L263-V387 HydrophobicContact CB-CG2 3.73Å; L263-V387 HydrophobicContact CD1-CG1 4.23Å; L263-V387 HydrophobicContact CD1-CG2 4.29Å; W341-V387 HydrophobicContact CZ2-CG1 4.16Å; W341-V387 HydrophobicContact CZ2-CG2 4.44Å; I376-V387 HydrophobicContact CB-CG1 4.35Å; I376-V387 HydrophobicContact CG1-CG1 4.36Å; I376-V387 HydrophobicContact CG2-CG1 3.91Å; A379-V387 HydrophobicContact CB-CB 4.32Å; A379-V387 HydrophobicContact CB-CG1 4.21Å; A379-V387 HydrophobicContact CB-CG2 4.23Å; V380-V387 HydrophobicContact CG2-CG1 4.11Å; D384-V387 HydrophobicContact CB-CB 4.18Å; D384-V387 HydrophobicContact CB-CG2 4.32Å; D384-V387 PolarHBondContact OD1-N 2.69Å; V387-I391 WeakPolarHBondContact O-CB 3.44Å; V387-I391 WeakPolarHBondContact O-CG1 3.44Å; V387-I391 PolarHBondContact O-N 2.91Å
388L97.4Very high95.6Very high34 Ų3455.4 Ų55.418%0.17830%0.303CS..Hα-helixtrans-66.5-39.5173-175.855.9000112.8V380 D384 Q386 R392 T401V380-L388 HydrophobicContact CG1-CD1 3.93Å; V380-L388 HydrophobicContact CG1-CD2 4.48Å; V380-L388 HydrophobicContact CG2-CB 4.05Å; V380-L388 HydrophobicContact CG2-CD1 4.26Å; D384-L388 WeakPolarHBondContact O-CB 3.42Å; D384-L388 PolarHBondContact O-N 3.1Å; Q386-L388 PolarHBondContact O-N 2.74Å; L388-R392 WeakPolarHBondContact O-CD 3.42Å; L388-R392 VanDerWaalsContact O-CG 3.26Å; L388-R392 WeakPolarHBondContact O-CG 3.46Å; L388-R392 PolarHBondContact O-N 2.82Å; L388-T401 HydrophobicContact CD1-CG2 4.08Å
389H96.3Very high95.5Very high86 Ų8656.6 Ų56.640%0.39831%0.313SS..Hα-helixtrans-63.6-54.8175.5-176.3110.3000111.2A385 Q386 I391 R392 Q393A385-H389 WeakPolarHBondContact O-CB 3.45Å; A385-H389 PolarHBondContact O-N 3.41Å; Q386-H389 WeakPolarHBondContact O-CB 2.94Å; Q386-H389 PolarHBondContact O-N 2.83Å; H389-I391 VanDerWaalsContact C-N 3.26Å; H389-I391 PolarHBondContact O-N 2.98Å; H389-R392 PolarHBondContact O-N 2.73Å; H389-Q393 PolarHBondContact CE1-NE2 3.06Å; H389-Q393 WeakPolarHBondContact NE2-CG 3.46Å; H389-Q393 PolarHBondContact NE2-NE2 3Å; H389-Q393 WeakPolarHBondContact O-CG 3.5Å; H389-Q393 PolarHBondContact O-N 3.02Å
390D96.6Very high95.5Very high22 Ų2257.9 Ų57.912%0.11832%0.317CS..Hα-helixtrans-56.8-40.4-176.2-697.6000111.3W341 R345 Q386 L394W341-D390 HydrophobicContact CH2-CB 3.5Å; W341-D390 HydrophobicContact CZ2-CB 3.59Å; R345-D390 WeakPolarHBondContact CD-OD2 3.34Å; R345-D390 IonicContact CZ-OD2 2.74Å; R345-D390 IonicContact NE-OD2 3.59Å; R345-D390 IonicContact NH1-OD2 3.84Å; R345-D390 PolarHBondContact NH1-OD2 2.86Å; Q386-D390 PolarHBondContact NE2-OD1 3.26Å; Q386-D390 PolarHBondContact O-N 3.46Å; D390-L394 VanDerWaalsContact O-CB 3.28Å; D390-L394 WeakPolarHBondContact O-CB 3.49Å; D390-L394 PolarHBondContact O-N 3.48Å
391I96.4Very high95.5Very high0 Ų060.4 Ų60.40%033%0.332CS..Hα-helixtrans-65.4-40.7176-70.6-68.7000112.6W341 I376 V387 H389 L395 Y400 P402 L408 L412W341-I391 HydrophobicContact CE3-CD1 4.47Å; W341-I391 HydrophobicContact CH2-CD1 3.65Å; W341-I391 HydrophobicContact CH2-CG1 3.73Å; W341-I391 HydrophobicContact CZ3-CD1 3.43Å; W341-I391 VanDerWaalsContact CZ3-CD1 3.43Å; W341-I391 HydrophobicContact CZ3-CG1 4.07Å; I376-I391 HydrophobicContact CD1-CD1 4.01Å; I376-I391 HydrophobicContact CG1-CD1 4.44Å; I376-I391 HydrophobicContact CG2-CD1 3.68Å; I376-I391 HydrophobicContact CG2-CG1 3.61Å; V387-I391 WeakPolarHBondContact O-CB 3.44Å; V387-I391 WeakPolarHBondContact O-CG1 3.44Å; V387-I391 PolarHBondContact O-N 2.91Å; H389-I391 VanDerWaalsContact C-N 3.26Å; H389-I391 PolarHBondContact O-N 2.98Å; I391-L395 HydrophobicContact CG2-CD1 3.83Å; I391-L395 HydrophobicContact CG2-CG 4.38Å; I391-L395 WeakPolarHBondContact O-CB 3.22Å; I391-L395 VanDerWaalsContact O-CG 3.27Å; I391-L395 WeakPolarHBondContact O-CG 3.37Å; I391-L395 PolarHBondContact O-N 3.46Å; I391-Y400 HydrophobicContact CG2-CD1 3.98Å; I391-Y400 HydrophobicContact CG2-CE1 4.01Å; I391-P402 HydrophobicContact CG2-CG 4.49Å; I391-L408 HydrophobicContact CD1-CD1 4.41Å; I391-L408 HydrophobicContact CG2-CD1 4.4Å; I391-L412 HydrophobicContact CD1-CD1 4.42Å
392R96.2Very high95.4Very high75 Ų7554.1 Ų54.128%0.28330%0.303SS..Hα-helixtrans-67.3-41.5179.3-73.5169.4171.5-171.8-1.5111.9L388 H389 A396 D397 S398 Y400 T401L388-R392 WeakPolarHBondContact O-CD 3.42Å; L388-R392 VanDerWaalsContact O-CG 3.26Å; L388-R392 WeakPolarHBondContact O-CG 3.46Å; L388-R392 PolarHBondContact O-N 2.82Å; H389-R392 PolarHBondContact O-N 2.73Å; R392-A396 PolarHBondContact O-N 2.99Å; R392-A396 VanDerWaalsContact O-N 3.11Å; R392-D397 WeakPolarHBondContact CA-O 3.43Å; R392-D397 VanDerWaalsContact CB-O 3.29Å; R392-D397 WeakPolarHBondContact CB-O 3.32Å; R392-D397 WeakPolarHBondContact CG-O 3.27Å; R392-D397 PolarHBondContact O-N 3.39Å; R392-S398 VanDerWaalsContact CD-O 3.25Å; R392-S398 WeakPolarHBondContact CD-O 3.19Å; R392-S398 PolarHBondContact NE-O 3.23Å; R392-S398 PolarHBondContact NH1-O 3.5Å; R392-Y400 WeakPolarHBondContact CG-O 3.24Å; R392-Y400 PolarHBondContact NE-O 3.3Å; R392-Y400 PolarHBondContact NH2-O 2.62Å; R392-T401 PolarHBondContact NH2-OG1 3.4Å
393Q94.2Very high95.3Very high129 Ų12952.5 Ų52.560%0.60330%0.299SS*.Hα-helixtrans-61.2-52.2173.9-63.5-64-1.200111.4H389 L395 A396H389-Q393 PolarHBondContact CE1-NE2 3.06Å; H389-Q393 WeakPolarHBondContact NE2-CG 3.46Å; H389-Q393 PolarHBondContact NE2-NE2 3Å; H389-Q393 WeakPolarHBondContact O-CG 3.5Å; H389-Q393 PolarHBondContact O-N 3.02Å; Q393-L395 VanDerWaalsContact C-N 3.34Å; Q393-L395 PolarHBondContact O-N 3.17Å; Q393-A396 PolarHBondContact O-N 3.18Å
394L94.2Very high95.4Very high22 Ų2253.4 Ų53.412%0.11529%0.293CS..Hα-helixtrans-60.4-41.3-178.6-178.4160.7000112.9L344 Q349 D390 A396 L412 R506L344-L394 HydrophobicContact CD1-CD1 4.09Å; L344-L394 HydrophobicContact CD2-CD1 3.67Å; L344-L394 HydrophobicContact CG-CD1 3.51Å; Q349-L394 WeakPolarHBondContact O-CG 3.34Å; D390-L394 VanDerWaalsContact O-CB 3.28Å; D390-L394 WeakPolarHBondContact O-CB 3.49Å; D390-L394 PolarHBondContact O-N 3.48Å; L394-A396 PolarHBondContact O-N 2.96Å; L394-L412 HydrophobicContact CD1-CD2 4.49Å; L394-L412 HydrophobicContact CD2-CD2 3.35Å; L394-R506 PolarHBondContact O-NH2 3.26Å; L394-R506 VanDerWaalsContact O-NH2 3.08Å
395L94.6Very high95.6Very high9 Ų953.1 Ų53.15%0.04729%0.294CS..Hα-helixtrans-74.5-17.2178.5-67.2-177.9000113.2I391 Q393 D397 Y400 L408 R411 L412 R506I391-L395 HydrophobicContact CG2-CD1 3.83Å; I391-L395 HydrophobicContact CG2-CG 4.38Å; I391-L395 WeakPolarHBondContact O-CB 3.22Å; I391-L395 VanDerWaalsContact O-CG 3.27Å; I391-L395 WeakPolarHBondContact O-CG 3.37Å; I391-L395 PolarHBondContact O-N 3.46Å; Q393-L395 VanDerWaalsContact C-N 3.34Å; Q393-L395 PolarHBondContact O-N 3.17Å; L395-D397 VanDerWaalsContact C-N 3.31Å; L395-D397 HydrophobicContact CB-CB 4.24Å; L395-Y400 HydrophobicContact CD1-CD1 3.34Å; L395-Y400 HydrophobicContact CD1-CE1 3.42Å; L395-Y400 VanDerWaalsContact CD1-CE1 3.42Å; L395-Y400 HydrophobicContact CD1-CG 4.02Å; L395-L408 HydrophobicContact CD1-CD1 4.39Å; L395-R411 HydrophobicContact CD1-CB 4.38Å; L395-R411 HydrophobicContact CD2-CB 3.62Å; L395-R411 HydrophobicContact CD2-CG 4.46Å; L395-L412 HydrophobicContact CD2-CD2 3.78Å; L395-R506 PolarHBondContact O-NE 3.33Å
396A92.9Very high95.7Very high65 Ų6552.5 Ų52.554%0.53729%0.288SS..THydrogen-bonded Turntrans5742.3-166.700000112.3R392 Q393 L394 P507R392-A396 PolarHBondContact O-N 2.99Å; R392-A396 VanDerWaalsContact O-N 3.11Å; Q393-A396 PolarHBondContact O-N 3.18Å; L394-A396 PolarHBondContact O-N 2.96Å; A396-P507 HydrophobicContact CB-CG 3.66Å
397D94.3Very high95.9Very high58 Ų5850.5 Ų50.531%0.3129%0.286SS..  trans-141104-175.8-173.2-27.7000108.7R392 L395 D399 Y400R392-D397 WeakPolarHBondContact CA-O 3.43Å; R392-D397 VanDerWaalsContact CB-O 3.29Å; R392-D397 WeakPolarHBondContact CB-O 3.32Å; R392-D397 WeakPolarHBondContact CG-O 3.27Å; R392-D397 PolarHBondContact O-N 3.39Å; L395-D397 VanDerWaalsContact C-N 3.31Å; L395-D397 HydrophobicContact CB-CB 4.24Å; D397-D399 VanDerWaalsContact C-N 3.28Å; D397-D399 PolarHBondContact O-N 3.01Å; D397-D399 PolarHBondContact OD1-N 2.94Å; D397-Y400 VanDerWaalsContact CG-CB 3.46Å; D397-Y400 WeakPolarHBondContact OD1-CB 3.39Å; D397-Y400 PolarHBondContact OD1-N 2.94Å
398S94.3Very high95.9Very high85 Ų8550.5 Ų50.559%0.59429%0.286SS*.SBendtrans-70.1-23.8-174.854.60000114.1R392R392-S398 VanDerWaalsContact CD-O 3.25Å; R392-S398 WeakPolarHBondContact CD-O 3.19Å; R392-S398 PolarHBondContact NE-O 3.23Å; R392-S398 PolarHBondContact NH1-O 3.5Å
399D95.6Very high96Very high133 Ų13348.9 Ų48.971%0.71128%0.278SS*.SBendtrans-101.7-23.5-168-61.1-0.2000110.3D397 T401D397-D399 VanDerWaalsContact C-N 3.28Å; D397-D399 PolarHBondContact O-N 3.01Å; D397-D399 PolarHBondContact OD1-N 2.94Å; D399-T401 PolarHBondContact O-N 3.37Å; D399-T401 PolarHBondContact O-OG1 2.91Å
400Y96Very high96Very high31 Ų3147.3 Ų47.312%0.12227%0.272CS..  trans-51.9136175.1-175.6-101.9000112.6I391 R392 L395 D397 P402 L408I391-Y400 HydrophobicContact CG2-CD1 3.98Å; I391-Y400 HydrophobicContact CG2-CE1 4.01Å; R392-Y400 WeakPolarHBondContact CG-O 3.24Å; R392-Y400 PolarHBondContact NE-O 3.3Å; R392-Y400 PolarHBondContact NH2-O 2.62Å; L395-Y400 HydrophobicContact CD1-CD1 3.34Å; L395-Y400 HydrophobicContact CD1-CE1 3.42Å; L395-Y400 VanDerWaalsContact CD1-CE1 3.42Å; L395-Y400 HydrophobicContact CD1-CG 4.02Å; D397-Y400 VanDerWaalsContact CG-CB 3.46Å; D397-Y400 WeakPolarHBondContact OD1-CB 3.39Å; D397-Y400 PolarHBondContact OD1-N 2.94Å; Y400-P402 HydrophobicContact CE1-CB 3.79Å; Y400-P402 HydrophobicContact CE1-CG 4.32Å; Y400-L408 HydrophobicContact CE1-CD1 4.09Å
401T97.1Very high96.1Very high70 Ų7051.4 Ų51.443%0.42929%0.286SS..  trans-138.6117.2174.3-53.20000106.4V380 L388 R392 D399 D403V380-T401 HydrophobicContact CG1-CG2 3.94Å; L388-T401 HydrophobicContact CD1-CG2 4.08Å; R392-T401 PolarHBondContact NH2-OG1 3.4Å; D399-T401 PolarHBondContact O-N 3.37Å; D399-T401 PolarHBondContact O-OG1 2.91Å; T401-D403 PolarHBondContact O-N 2.87Å; T401-D403 VanDerWaalsContact O-N 3.17Å
402P96.2Very high96.1Very high3 Ų351.5 Ų51.52%0.01929%0.286CS..  trans-67.3115.3-173.925.7-34.4000111.3I376 V377 V380 I391 Y400 L408I376-P402 HydrophobicContact CG2-CG 4.31Å; V377-P402 HydrophobicContact CG2-CB 3.94Å; V380-P402 HydrophobicContact CB-CG 4.15Å; V380-P402 HydrophobicContact CG1-CG 4.19Å; V380-P402 HydrophobicContact CG2-CG 3.83Å; I391-P402 HydrophobicContact CG2-CG 4.49Å; Y400-P402 HydrophobicContact CE1-CB 3.79Å; Y400-P402 HydrophobicContact CE1-CG 4.32Å; P402-L408 HydrophobicContact CB-CB 4.42Å; P402-L408 HydrophobicContact CB-CD1 4.39Å; P402-L408 HydrophobicContact CB-CD2 4.12Å
403D93.7Very high96.2Very high99 Ų9947.9 Ų47.953%0.52927%0.273SS..  trans-88.1-41.8-177.668.7-49.8000112.1Q381 T401Q381-D403 PolarHBondContact NE2-O 3.08Å; T401-D403 PolarHBondContact O-N 2.87Å; T401-D403 VanDerWaalsContact O-N 3.17Å
404N97.4Very high96.5Very high66 Ų6641.9 Ų41.935%0.35325%0.245SC..  trans-145.9152.5-176.78481.5000112.2A406 G407 L408N404-A406 VanDerWaalsContact C-N 3.34Å; N404-A406 PolarHBondContact O-N 3.46Å; N404-A406 WeakPolarHBondContact OD1-CA 3.4Å; N404-A406 WeakPolarHBondContact OD1-CB 3.31Å; N404-A406 PolarHBondContact OD1-N 2.76Å; N404-G407 PolarHBondContact O-N 3.33Å; N404-G407 PolarHBondContact OD1-N 3.19Å; N404-L408 PolarHBondContact O-N 2.93Å; N404-L408 VanDerWaalsContact O-N 3.14Å
405A98Very high96.7Very high15 Ų1540.9 Ų40.912%0.12424%0.24CC..Hα-helixtrans-66.8-30-172.300000114.1C373 R374 C409C373-A405 HydrophobicContact CB-CB 4.24Å; R374-A405 HydrophobicContact CB-CB 4.29Å; R374-A405 HydrophobicContact CG-CB 3.49Å; R374-A405 VanDerWaalsContact CG-CB 3.49Å; A405-C409 WeakPolarHBondContact O-CB 3.44Å; A405-C409 PolarHBondContact O-N 3.32Å
406A97.9Very high96.9Very high31 Ų3140.4 Ų40.426%0.25624%0.237SC..Hα-helixtrans-74.2-40.3178.400000111.6N404 C409 N410N404-A406 VanDerWaalsContact C-N 3.34Å; N404-A406 PolarHBondContact O-N 3.46Å; N404-A406 WeakPolarHBondContact OD1-CA 3.4Å; N404-A406 WeakPolarHBondContact OD1-CB 3.31Å; N404-A406 PolarHBondContact OD1-N 2.76Å; A406-C409 PolarHBondContact O-N 3.38Å; A406-N410 PolarHBondContact O-N 3.46Å
407G97.5Very high97.1Very high27 Ų2737.7 Ų37.728%0.27821%0.213SC..Hα-helixtrans-60.7-44.3173.400000112.3N404 N410N404-G407 PolarHBondContact O-N 3.33Å; N404-G407 PolarHBondContact OD1-N 3.19Å; G407-N410 PolarHBondContact O-N 3.09Å
408L98.1Very high97.3Very high0 Ų035.4 Ų35.40%020%0.201CC..Hα-helixtrans-65.9-43.4173.9-178.859.9000112C373 I376 V377 I391 L395 Y400 P402 N404 N410 R411 L412C373-L408 HydrophobicContact CB-CB 4.38Å; C373-L408 HydrophobicContact CB-CD2 4.03Å; C373-L408 HydrophobicContact CB-CG 4.24Å; I376-L408 HydrophobicContact CB-CD2 3.8Å; I376-L408 HydrophobicContact CD1-CD2 4.16Å; I376-L408 HydrophobicContact CG2-CD2 3.48Å; I376-L408 VanDerWaalsContact CG2-CD2 3.48Å; V377-L408 HydrophobicContact CG2-CD2 4.2Å; I391-L408 HydrophobicContact CD1-CD1 4.41Å; I391-L408 HydrophobicContact CG2-CD1 4.4Å; L395-L408 HydrophobicContact CD1-CD1 4.39Å; Y400-L408 HydrophobicContact CE1-CD1 4.09Å; P402-L408 HydrophobicContact CB-CB 4.42Å; P402-L408 HydrophobicContact CB-CD1 4.39Å; P402-L408 HydrophobicContact CB-CD2 4.12Å; N404-L408 PolarHBondContact O-N 2.93Å; N404-L408 VanDerWaalsContact O-N 3.14Å; L408-N410 PolarHBondContact O-N 3.27Å; L408-R411 WeakPolarHBondContact O-CA 3.44Å; L408-R411 WeakPolarHBondContact O-CB 3.37Å; L408-R411 PolarHBondContact O-N 2.96Å; L408-L412 HydrophobicContact CD1-CD1 3.75Å; L408-L412 HydrophobicContact CD1-CD2 4.49Å; L408-L412 HydrophobicContact CD1-CG 3.83Å; L408-L412 HydrophobicContact CD2-CD1 4.22Å; L408-L412 HydrophobicContact CG-CD1 3.78Å; L408-L412 HydrophobicContact CG-CG 4.15Å; L408-L412 PolarHBondContact O-N 3.38Å
409C98.2Very high97.3Very high0 Ų031.4 Ų31.40%017%0.173CC..Hα-helixtrans-58.1-34.7176.3-172.70000112.4A405 A406 R411 L412 L413 L438A405-C409 WeakPolarHBondContact O-CB 3.44Å; A405-C409 PolarHBondContact O-N 3.32Å; A406-C409 PolarHBondContact O-N 3.38Å; C409-R411 PolarHBondContact O-N 3.42Å; C409-L412 PolarHBondContact O-N 3.24Å; C409-L413 WeakPolarHBondContact O-CA 3.39Å; C409-L413 WeakPolarHBondContact O-CB 3.48Å; C409-L413 PolarHBondContact O-N 3.36Å; C409-L438 WeakPolarHBondContact CB-O 3.32Å; C409-L438 PolarHBondContact SG-O 2.96Å
410N97.7Very high97.2Very high54 Ų5425.5 Ų25.529%0.28914%0.142SC..Hα-helixtrans-63.8-29.3174.7-159.9-91.1000114A406 G407 L408 G439 R504A406-N410 PolarHBondContact O-N 3.46Å; G407-N410 PolarHBondContact O-N 3.09Å; L408-N410 PolarHBondContact O-N 3.27Å; N410-G439 VanDerWaalsContact CA-O 3.23Å; N410-G439 WeakPolarHBondContact CA-O 3.23Å; N410-G439 WeakPolarHBondContact CB-O 3.35Å; N410-G439 PolarHBondContact N-O 2.88Å; N410-G439 PolarHBondContact ND2-O 2.82Å; N410-R504 PolarHBondContact O-NH1 2.85Å; N410-R504 PolarHBondContact O-NH2 2.94Å; N410-R504 PolarHBondContact OD1-NH2 2.75Å
411R96.6Very high97Very high108 Ų10829.7 Ų29.741%0.40817%0.171SC..Hα-helixtrans-83.8-38.5177.9-57-65.5-168.41638.3111.8L395 L408 C409 R506L395-R411 HydrophobicContact CD1-CB 4.38Å; L395-R411 HydrophobicContact CD2-CB 3.62Å; L395-R411 HydrophobicContact CD2-CG 4.46Å; L408-R411 WeakPolarHBondContact O-CA 3.44Å; L408-R411 WeakPolarHBondContact O-CB 3.37Å; L408-R411 PolarHBondContact O-N 2.96Å; C409-R411 PolarHBondContact O-N 3.42Å; R411-R506 PolarHBondContact O-NH1 3.22Å
412L97.8Very high96.6Very high1 Ų126.7 Ų26.71%0.00515%0.152CC..Hα-helixtrans-93.2-24.1-173.9-62-172.5000115.2G351 F352 M372 I376 I391 L394 L395 L408 C409G351-L412 CarbonylContact C-O 3.53Å; G351-L412 VanDerWaalsContact CA-O 3.24Å; G351-L412 WeakPolarHBondContact CA-O 3.4Å; F352-L412 PolarHBondContact N-O 3.22Å; M372-L412 HydrophobicContact CE-CD1 3.66Å; I376-L412 HydrophobicContact CD1-CD1 4.3Å; I391-L412 HydrophobicContact CD1-CD1 4.42Å; L394-L412 HydrophobicContact CD1-CD2 4.49Å; L394-L412 HydrophobicContact CD2-CD2 3.35Å; L395-L412 HydrophobicContact CD2-CD2 3.78Å; L408-L412 HydrophobicContact CD1-CD1 3.75Å; L408-L412 HydrophobicContact CD1-CD2 4.49Å; L408-L412 HydrophobicContact CD1-CG 3.83Å; L408-L412 HydrophobicContact CD2-CD1 4.22Å; L408-L412 HydrophobicContact CG-CD1 3.78Å; L408-L412 HydrophobicContact CG-CG 4.15Å; L408-L412 PolarHBondContact O-N 3.38Å; C409-L412 PolarHBondContact O-N 3.24Å
413L98.6Very high96.4Very high0 Ų027.3 Ų27.30%016%0.157CC..EExtended strand (participates in β ladder)trans-126.3121.4-173.5-176.961.6000112.3F352 L354 V369 C409 T415 Y441F352-L413 HydrophobicContact CB-CD1 3.8Å; L354-L413 HydrophobicContact CB-CD1 3.99Å; V369-L413 HydrophobicContact CB-CD2 4.09Å; V369-L413 HydrophobicContact CG1-CB 3.96Å; V369-L413 HydrophobicContact CG1-CD1 4.27Å; V369-L413 HydrophobicContact CG1-CD2 3.93Å; V369-L413 HydrophobicContact CG1-CG 4.26Å; V369-L413 HydrophobicContact CG2-CD1 4.49Å; C409-L413 WeakPolarHBondContact O-CA 3.39Å; C409-L413 WeakPolarHBondContact O-CB 3.48Å; C409-L413 PolarHBondContact O-N 3.36Å; L413-T415 HydrophobicContact CD1-CG2 4.33Å; L413-T415 HydrophobicContact CD2-CG2 3.8Å; L413-T415 HydrophobicContact CG-CG2 3.87Å; L413-Y441 PolarHBondContact O-N 2.85Å
414V98.7Very high96.2Very high3 Ų323.1 Ų23.12%0.01814%0.135CC..EExtended strand (participates in β ladder)trans-98.7122.9162.8178.70000108.4F352 F353 L354 Y441 I443 T500 L510F352-V414 PolarHBondContact O-N 2.84Å; F353-V414 WeakPolarHBondContact CA-O 3.47Å; F353-V414 HydrophobicContact CD2-CB 3.95Å; F353-V414 HydrophobicContact CD2-CG1 3.61Å; F353-V414 HydrophobicContact CE2-CG1 3.76Å; L354-V414 PolarHBondContact N-O 3.41Å; V414-Y441 WeakPolarHBondContact CA-O 3.45Å; V414-Y441 HydrophobicContact CG1-CD1 4.18Å; V414-Y441 HydrophobicContact CG2-CD1 4.09Å; V414-I443 HydrophobicContact CG1-CD1 3.77Å; V414-I443 HydrophobicContact CG1-CG1 4.24Å; V414-T500 HydrophobicContact CG1-CG2 4.27Å; V414-T500 HydrophobicContact CG2-CG2 3.86Å; V414-L510 HydrophobicContact CB-CD1 3.98Å; V414-L510 HydrophobicContact CG2-CD1 3.58Å
415T98.8Very high95.9Very high0 Ų027.8 Ų27.80%015%0.152CC..EExtended strand (participates in β ladder)trans-108.7138.1172.653.50000109.9L354 L356 L413 A435 S440 Y441 H442 I443L354-T415 HydrophobicContact CB-CG2 4.47Å; L354-T415 HydrophobicContact CD2-CG2 4.49Å; L354-T415 WeakPolarHBondContact O-CA 3.5Å; L356-T415 HydrophobicContact CB-CG2 4.41Å; L356-T415 HydrophobicContact CD2-CG2 4.09Å; L413-T415 HydrophobicContact CD1-CG2 4.33Å; L413-T415 HydrophobicContact CD2-CG2 3.8Å; L413-T415 HydrophobicContact CG-CG2 3.87Å; T415-A435 WeakPolarHBondContact OG1-CB 2.97Å; T415-S440 WeakPolarHBondContact CG2-OG 3.42Å; T415-S440 PolarHBondContact OG1-OG 2.98Å; T415-Y441 PolarHBondContact N-O 2.71Å; T415-H442 CarbonylContact O-C 3.55Å; T415-H442 WeakPolarHBondContact O-CA 3.47Å; T415-H442 PolarHBondContact O-ND1 3.45Å; T415-H442 PolarHBondContact OG1-ND1 2.93Å; T415-I443 PolarHBondContact O-N 2.86Å
416C98.6Very high95.6Very high0 Ų031.3 Ų31.30%017%0.166CC..EExtended strand (participates in β ladder)trans-130.9120.1-179.9-172.30000112.7F353 L354 P355 L356 M418 I443F353-C416 HydrophobicContact CE1-CB 4.22Å; F353-C416 HydrophobicContact CE2-CB 3.78Å; F353-C416 HydrophobicContact CZ-CB 3.32Å; L354-C416 PolarHBondContact O-N 3.37Å; P355-C416 CarbonylContact C-O 3.56Å; P355-C416 WeakPolarHBondContact CA-O 3.44Å; L356-C416 PolarHBondContact N-O 3.36Å; C416-M418 HydrophobicContact CB-CE 3.98Å; C416-I443 CarbonylContact C-O 3.58Å; C416-I443 VanDerWaalsContact CA-O 3.24Å; C416-I443 WeakPolarHBondContact CA-O 3.3Å; C416-I443 HydrophobicContact CB-CB 4.43Å
417Y98.3Very high95.4Very high7 Ų730.3 Ų30.33%0.02716%0.157CC..EExtended strand (participates in β ladder)trans-89.1122.6168.9-179.4-94.3000110L356 S423 S424 T427 R428 A431 I443 I445L356-Y417 WeakPolarHBondContact O-CA 3.36Å; L356-Y417 WeakPolarHBondContact O-CD2 3.38Å; Y417-S423 VanDerWaalsContact OH-CB 3.29Å; Y417-S423 WeakPolarHBondContact OH-CB 3.23Å; Y417-S424 PolarHBondContact OH-O 3.24Å; Y417-T427 PolarHBondContact OH-OG1 2.63Å; Y417-R428 HydrophobicContact CD1-CB 4.2Å; Y417-R428 HydrophobicContact CD1-CG 4.18Å; Y417-R428 HydrophobicContact CE1-CB 3.59Å; Y417-R428 HydrophobicContact CE1-CG 3.95Å; Y417-R428 HydrophobicContact CE2-CB 4.23Å; Y417-R428 VanDerWaalsContact CZ-CA 3.5Å; Y417-R428 PolarHBondContact OH-N 3.05Å; Y417-A431 HydrophobicContact CD2-CB 3.69Å; Y417-A431 HydrophobicContact CE2-CB 4.49Å; Y417-A431 HydrophobicContact CG-CB 4.28Å; Y417-I443 PolarHBondContact N-O 2.68Å; Y417-I445 PolarHBondContact O-N 3.28Å
418M97.8Very high95.3Very high10 Ų1033 Ų335%0.04916%0.159CC..EExtended strand (participates in β ladder)trans-115.775.6-172.9-54.6-173.8-176.700110.6F353 C416 I445 I447 R489 L492 A493F353-M418 HydrophobicContact CE1-CE 3.82Å; F353-M418 HydrophobicContact CZ-CE 3.72Å; C416-M418 HydrophobicContact CB-CE 3.98Å; M418-I445 HydrophobicContact CB-CD1 4.46Å; M418-I445 HydrophobicContact CB-CG1 4.16Å; M418-I445 HydrophobicContact CG-CD1 3.86Å; M418-I445 HydrophobicContact CG-CG1 3.9Å; M418-I445 HydrophobicContact SD-CD1 4.34Å; M418-I447 HydrophobicContact CB-CG2 4Å; M418-R489 HydrophobicContact CB-CG 3.84Å; M418-R489 PolarHBondContact O-NE 3.37Å; M418-R489 PolarHBondContact O-NH2 3.1Å; M418-R489 HydrophobicContact SD-CB 3.71Å; M418-R489 HydrophobicContact SD-CG 3.94Å; M418-R489 VanDerWaalsContact SD-O 3.4Å; M418-L492 HydrophobicContact CE-CB 4.35Å; M418-L492 HydrophobicContact SD-CB 4.23Å; M418-A493 HydrophobicContact CE-CB 4.07Å
419G95Very high95.2Very high2 Ų238.6 Ų38.62%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-71.6154.7-177.200000113.1I445 S446 I447G419-I445 PolarHBondContact N-O 2.8Å; G419-S446 CarbonylContact O-C 3.54Å; G419-S446 WeakPolarHBondContact O-CA 3.16Å; G419-I447 PolarHBondContact O-N 3.36Å
420S93.9Very high95.2Very high8 Ų840 Ų406%0.05619%0.185CC..  trans-120.2179.4159.659.80000110N422 S423 D448 Q485S420-N422 PolarHBondContact O-N 3.16Å; S420-N422 PolarHBondContact OG-N 2.84Å; S420-S423 PolarHBondContact N-OG 3.15Å; S420-S423 PolarHBondContact O-N 3.37Å; S420-D448 VanDerWaalsContact CA-OD1 3.23Å; S420-D448 WeakPolarHBondContact CA-OD1 3.37Å; S420-D448 WeakPolarHBondContact CA-OD2 3.5Å; S420-D448 VanDerWaalsContact CB-OD1 3.25Å; S420-D448 WeakPolarHBondContact CB-OD1 3.47Å; S420-Q485 PolarHBondContact OG-OE1 3.04Å
421V90.9Very high95.2Very high119 Ų11937.4 Ų37.472%0.72117%0.171SC*.THydrogen-bonded Turntrans-55.9-14.5168.7-67.90000114.1D448V421-D448 PolarHBondContact N-OD1 3.47Å; V421-D448 PolarHBondContact N-OD2 3.01Å
422N89.4Confident95.2Very high8 Ų833.6 Ų33.64%0.04316%0.163CC..THydrogen-bonded Turntrans-92.9-8178.6-58.8-31.7000113.6S420 Q485 L575 E576 P577 L578S420-N422 PolarHBondContact O-N 3.16Å; S420-N422 PolarHBondContact OG-N 2.84Å; N422-Q485 PolarHBondContact ND2-OE1 2.87Å; N422-L575 PolarHBondContact ND2-O 3.01Å; N422-E576 WeakPolarHBondContact CB-O 3.45Å; N422-P577 WeakPolarHBondContact OD1-CA 3.38Å; N422-L578 WeakPolarHBondContact O-CD2 3.43Å; N422-L578 WeakPolarHBondContact O-CG 3.28Å
423S90.8Very high95.3Very high16 Ų1637.5 Ų37.511%0.11218%0.181CC..  trans-91.3139.3-172.6-47.70000112.5Y417 S420 E574Y417-S423 VanDerWaalsContact OH-CB 3.29Å; Y417-S423 WeakPolarHBondContact OH-CB 3.23Å; S420-S423 PolarHBondContact N-OG 3.15Å; S420-S423 PolarHBondContact O-N 3.37Å; S423-E574 VanDerWaalsContact CA-OE2 3.29Å; S423-E574 WeakPolarHBondContact CA-OE2 3.46Å; S423-E574 WeakPolarHBondContact CB-OE2 3.26Å
424S89.9Confident95.3Very high10 Ų1037.5 Ų37.57%0.0718%0.181CC..  trans-72.6165.8-176.370.20000112.6Y417 E426 T427 E574Y417-S424 PolarHBondContact OH-O 3.24Å; S424-E426 PolarHBondContact OG-N 3.31Å; S424-T427 PolarHBondContact O-OG1 2.86Å; S424-T427 PolarHBondContact OG-N 2.96Å; S424-T427 PolarHBondContact OG-OG1 3.29Å; S424-E574 WeakPolarHBondContact CB-OE1 3.36Å; S424-E574 PolarHBondContact N-OE1 2.91Å; S424-E574 PolarHBondContact N-OE2 3.17Å; S424-E574 PolarHBondContact OG-OE1 2.85Å
425K91.5Very high95.3Very high165 Ų16537.4 Ų37.472%0.71718%0.18SC*.Hα-helixtrans-74.8-22.2170.5-64.4172.9-175168.30110.3R429K425-R429 WeakPolarHBondContact O-CB 3.49Å; K425-R429 PolarHBondContact O-N 2.78Å
426E92.1Very high95.3Very high89 Ų8943.6 Ų43.642%0.41621%0.213SC..Hα-helixtrans-78.5-46-172-6953-124.500111S424 R429 R430S424-E426 PolarHBondContact OG-N 3.31Å; E426-R429 PolarHBondContact O-N 3.32Å; E426-R430 WeakPolarHBondContact O-CB 3.34Å; E426-R430 VanDerWaalsContact O-CG 3.3Å; E426-R430 WeakPolarHBondContact O-CG 3.25Å; E426-R430 PolarHBondContact O-N 2.98Å
427T92.8Very high95.2Very high10 Ų1046.8 Ų46.86%0.06123%0.228CC..Hα-helixtrans-60.9-49.8170.443.50000111.4S357 Y417 S424 R429 R430 A431 E574S357-T427 WeakPolarHBondContact O-CB 3.46Å; Y417-T427 PolarHBondContact OH-OG1 2.63Å; S424-T427 PolarHBondContact O-OG1 2.86Å; S424-T427 PolarHBondContact OG-N 2.96Å; S424-T427 PolarHBondContact OG-OG1 3.29Å; T427-R429 PolarHBondContact O-N 2.88Å; T427-R430 VanDerWaalsContact CG2-NH2 3.27Å; T427-R430 PolarHBondContact O-N 3.05Å; T427-A431 WeakPolarHBondContact O-CB 3.45Å; T427-A431 PolarHBondContact O-N 3.06Å; T427-E574 VanDerWaalsContact CG2-CD 3.43Å; T427-E574 HydrophobicContact CG2-CG 4.47Å; T427-E574 WeakPolarHBondContact CG2-OE1 3.34Å; T427-E574 WeakPolarHBondContact CG2-OE2 3.41Å; T427-E574 PolarHBondContact OG1-OE1 3.14Å; T427-E574 PolarHBondContact OG1-OE2 2.81Å
428R95.1Very high95.2Very high84 Ų8446.4 Ų46.432%0.31723%0.227SC..Hα-helixtrans-51-53.9173.7175.7173.9-98136-2.5111.8Y417 R430 A431 A432 E444Y417-R428 HydrophobicContact CD1-CB 4.2Å; Y417-R428 HydrophobicContact CD1-CG 4.18Å; Y417-R428 HydrophobicContact CE1-CB 3.59Å; Y417-R428 HydrophobicContact CE1-CG 3.95Å; Y417-R428 HydrophobicContact CE2-CB 4.23Å; Y417-R428 VanDerWaalsContact CZ-CA 3.5Å; Y417-R428 PolarHBondContact OH-N 3.05Å; R428-R430 PolarHBondContact O-N 2.84Å; R428-A431 PolarHBondContact O-N 2.81Å; R428-A432 PolarHBondContact O-N 3.3Å; R428-E444 WeakPolarHBondContact CD-OE2 3.32Å; R428-E444 VanDerWaalsContact CG-OE2 3.31Å; R428-E444 WeakPolarHBondContact CG-OE2 3.42Å; R428-E444 IonicContact CZ-OE2 2.72Å; R428-E444 IonicContact NE-OE2 2.65Å; R428-E444 PolarHBondContact NE-OE2 2.75Å; R428-E444 IonicContact NH2-OE2 2.87Å
429R96.7Very high95.2Very high116 Ų11646.6 Ų46.644%0.43823%0.231SC..Hα-helixtrans-59.9-44.7179.8-179.8177.962.779.5-9.2111.8K425 E426 T427 Q433K425-R429 WeakPolarHBondContact O-CB 3.49Å; K425-R429 PolarHBondContact O-N 2.78Å; E426-R429 PolarHBondContact O-N 3.32Å; T427-R429 PolarHBondContact O-N 2.88Å; R429-Q433 HydrophobicContact CG-CG 4.22Å; R429-Q433 VanDerWaalsContact O-CB 3.28Å; R429-Q433 WeakPolarHBondContact O-CB 3.39Å; R429-Q433 VanDerWaalsContact O-CG 3.27Å; R429-Q433 WeakPolarHBondContact O-CG 3.31Å; R429-Q433 PolarHBondContact O-N 3.41Å
430R97.4Very high95.4Very high29 Ų2946.9 Ų46.911%0.10923%0.233CC..Hα-helixtrans-63.6-43.1178.4-73.5-173.9-51.5-107.9-1.7112G358 E426 T427 R428 L434 S565 I566G358-R430 PolarHBondContact O-NE 3.39Å; E426-R430 WeakPolarHBondContact O-CB 3.34Å; E426-R430 VanDerWaalsContact O-CG 3.3Å; E426-R430 WeakPolarHBondContact O-CG 3.25Å; E426-R430 PolarHBondContact O-N 2.98Å; T427-R430 VanDerWaalsContact CG2-NH2 3.27Å; T427-R430 PolarHBondContact O-N 3.05Å; R428-R430 PolarHBondContact O-N 2.84Å; R430-L434 WeakPolarHBondContact O-CB 3.33Å; R430-L434 PolarHBondContact O-N 2.93Å; R430-S565 WeakPolarHBondContact CD-O 3.48Å; R430-I566 HydrophobicContact CB-CD1 4.3Å; R430-I566 HydrophobicContact CB-CG1 3.88Å; R430-I566 HydrophobicContact CG-CG1 4.05Å
431A97.8Very high95.6Very high0 Ų050.5 Ų50.50%025%0.246CC..Hα-helixtrans-59.3-5217600000111.6L356 Y417 T427 R428 L434 A435L356-A431 HydrophobicContact CD2-CB 4.14Å; L356-A431 VanDerWaalsContact CD2-O 3.32Å; L356-A431 WeakPolarHBondContact CD2-O 3.1Å; L356-A431 HydrophobicContact CG-CB 4.01Å; Y417-A431 HydrophobicContact CD2-CB 3.69Å; Y417-A431 HydrophobicContact CE2-CB 4.49Å; Y417-A431 HydrophobicContact CG-CB 4.28Å; T427-A431 WeakPolarHBondContact O-CB 3.45Å; T427-A431 PolarHBondContact O-N 3.06Å; R428-A431 PolarHBondContact O-N 2.81Å; A431-L434 PolarHBondContact O-N 2.99Å; A431-A435 VanDerWaalsContact O-CB 3.29Å; A431-A435 WeakPolarHBondContact O-CB 3.43Å; A431-A435 PolarHBondContact O-N 2.74Å
432A98.4Very high96Very high28 Ų2847.1 Ų47.123%0.23122%0.222CC..Hα-helixtrans-64.6-41.3179.800000112.8R428 A435 N436R428-A432 PolarHBondContact O-N 3.3Å; A432-A435 PolarHBondContact O-N 3.05Å; A432-N436 WeakPolarHBondContact O-CB 3.39Å; A432-N436 PolarHBondContact O-N 2.98Å
433Q98.3Very high96.3Very high84 Ų8448.1 Ų48.139%0.39323%0.227SC..Hα-helixtrans-66.1-39.5177.8-75.7-177.8-43.900112.4R429 Q437 V562R429-Q433 HydrophobicContact CG-CG 4.22Å; R429-Q433 VanDerWaalsContact O-CB 3.28Å; R429-Q433 WeakPolarHBondContact O-CB 3.39Å; R429-Q433 VanDerWaalsContact O-CG 3.27Å; R429-Q433 WeakPolarHBondContact O-CG 3.31Å; R429-Q433 PolarHBondContact O-N 3.41Å; Q433-Q437 WeakPolarHBondContact O-CG 3.41Å; Q433-Q437 PolarHBondContact O-N 3.46Å; Q433-V562 HydrophobicContact CB-CB 4.47Å; Q433-V562 HydrophobicContact CB-CG2 3.69Å
434L98.6Very high96.6Very high0 Ų051.5 Ų51.50%024%0.241CC..Hα-helixtrans-67.9-47.3173.3-179.162.7000111.7L356 S363 R430 A431 N436 Q437 L438 V562 L563 I566L356-L434 HydrophobicContact CD1-CD2 4.42Å; S363-L434 VanDerWaalsContact CB-CD2 3.43Å; S363-L434 WeakPolarHBondContact OG-CD2 3.39Å; R430-L434 WeakPolarHBondContact O-CB 3.33Å; R430-L434 PolarHBondContact O-N 2.93Å; A431-L434 PolarHBondContact O-N 2.99Å; L434-N436 PolarHBondContact O-N 3.47Å; L434-Q437 PolarHBondContact O-N 2.85Å; L434-L438 HydrophobicContact CD1-CD1 3.85Å; L434-L438 HydrophobicContact CD1-CD2 4.03Å; L434-L438 HydrophobicContact CD1-CG 3.73Å; L434-L438 HydrophobicContact CD2-CD1 4.25Å; L434-L438 HydrophobicContact CG-CD1 3.69Å; L434-L438 HydrophobicContact CG-CG 4.02Å; L434-L438 VanDerWaalsContact O-CG 3.28Å; L434-L438 WeakPolarHBondContact O-CG 3.44Å; L434-L438 PolarHBondContact O-N 2.69Å; L434-V562 HydrophobicContact CB-CG1 3.78Å; L434-V562 HydrophobicContact CD1-CG1 3.66Å; L434-V562 HydrophobicContact CG-CG1 4.31Å; L434-L563 HydrophobicContact CD1-CD2 3.73Å; L434-L563 HydrophobicContact CD1-CG 4.34Å; L434-L563 HydrophobicContact CD2-CD2 4.1Å; L434-I566 HydrophobicContact CB-CD1 4.19Å; L434-I566 HydrophobicContact CD2-CD1 3.99Å
435A98.7Very high97Very high0 Ų052.5 Ų52.50%025%0.245CC..Hα-helixtrans-55.2-38.7178.200000112.4L356 T415 A431 A432 G439 S440 H442L356-A435 HydrophobicContact CD2-CB 4.02Å; T415-A435 WeakPolarHBondContact OG1-CB 2.97Å; A431-A435 VanDerWaalsContact O-CB 3.29Å; A431-A435 WeakPolarHBondContact O-CB 3.43Å; A431-A435 PolarHBondContact O-N 2.74Å; A432-A435 PolarHBondContact O-N 3.05Å; A435-G439 PolarHBondContact O-N 2.91Å; A435-G439 VanDerWaalsContact O-N 3.15Å; A435-S440 WeakPolarHBondContact CA-OG 3.35Å; A435-S440 WeakPolarHBondContact CB-OG 3.47Å; A435-S440 PolarHBondContact O-N 3.04Å; A435-S440 PolarHBondContact O-OG 2.96Å; A435-S440 VanDerWaalsContact O-OG 3.1Å; A435-H442 HydrophobicContact CB-CB 3.74Å; A435-H442 VanDerWaalsContact CB-CG 3.49Å; A435-H442 VanDerWaalsContact CB-ND1 3.29Å; A435-H442 WeakPolarHBondContact CB-ND1 3.42Å
436N98.4Very high97.2Very high131 Ų13147.7 Ų47.770%0.70123%0.232SC*.Hα-helixtrans-68.6-45.3173.5-178.981.2000113.2A432 L434 L438 G439A432-N436 WeakPolarHBondContact O-CB 3.39Å; A432-N436 PolarHBondContact O-N 2.98Å; L434-N436 PolarHBondContact O-N 3.47Å; N436-L438 VanDerWaalsContact C-N 3.34Å; N436-L438 PolarHBondContact O-N 2.87Å; N436-G439 PolarHBondContact O-N 3.19Å
437Q98.2Very high97.5Very high66 Ų6643.5 Ų43.531%0.30821%0.213SC..Hα-helixtrans-65.4-34.7177.4-74.3-178.77.200112.7Q433 L434 G439 L560Q433-Q437 WeakPolarHBondContact O-CG 3.41Å; Q433-Q437 PolarHBondContact O-N 3.46Å; L434-Q437 PolarHBondContact O-N 2.85Å; Q437-G439 VanDerWaalsContact C-N 3.33Å; Q437-L560 HydrophobicContact CB-CD2 3.86Å
438L98.1Very high97.7Very high0 Ų044.2 Ų44.20%022%0.216CC..Hα-helixtrans-76.5-19175.3-60.7175.3000113.3A366 H370 C409 L434 N436 L560A366-L438 HydrophobicContact CB-CD1 3.45Å; A366-L438 VanDerWaalsContact CB-CD1 3.45Å; H370-L438 HydrophobicContact CB-CB 4.42Å; H370-L438 HydrophobicContact CB-CD2 3.57Å; H370-L438 HydrophobicContact CB-CG 4.46Å; H370-L438 PolarHBondContact ND1-O 2.97Å; C409-L438 WeakPolarHBondContact CB-O 3.32Å; C409-L438 PolarHBondContact SG-O 2.96Å; L434-L438 HydrophobicContact CD1-CD1 3.85Å; L434-L438 HydrophobicContact CD1-CD2 4.03Å; L434-L438 HydrophobicContact CD1-CG 3.73Å; L434-L438 HydrophobicContact CD2-CD1 4.25Å; L434-L438 HydrophobicContact CG-CD1 3.69Å; L434-L438 HydrophobicContact CG-CG 4.02Å; L434-L438 VanDerWaalsContact O-CG 3.28Å; L434-L438 WeakPolarHBondContact O-CG 3.44Å; L434-L438 PolarHBondContact O-N 2.69Å; N436-L438 VanDerWaalsContact C-N 3.34Å; N436-L438 PolarHBondContact O-N 2.87Å; L438-L560 HydrophobicContact CD2-CD1 3.6Å; L438-L560 HydrophobicContact CD2-CD2 3.85Å; L438-L560 HydrophobicContact CD2-CG 4.4Å
439G98.1Very high97.8Very high13 Ų1345 Ų4513%0.13423%0.234CC..THydrogen-bonded Turntrans85.8-1-175.700000116.2N410 A435 N436 Q437N410-G439 VanDerWaalsContact CA-O 3.23Å; N410-G439 WeakPolarHBondContact CA-O 3.23Å; N410-G439 WeakPolarHBondContact CB-O 3.35Å; N410-G439 PolarHBondContact N-O 2.88Å; N410-G439 PolarHBondContact ND2-O 2.82Å; A435-G439 PolarHBondContact O-N 2.91Å; A435-G439 VanDerWaalsContact O-N 3.15Å; N436-G439 PolarHBondContact O-N 3.19Å; Q437-G439 VanDerWaalsContact C-N 3.33Å
440S98.4Very high97.8Very high8 Ų841.2 Ų41.26%0.05623%0.228CC..  trans-60.7154.7-17568.70000113.5T415 A435 H442T415-S440 WeakPolarHBondContact CG2-OG 3.42Å; T415-S440 PolarHBondContact OG1-OG 2.98Å; A435-S440 WeakPolarHBondContact CA-OG 3.35Å; A435-S440 WeakPolarHBondContact CB-OG 3.47Å; A435-S440 PolarHBondContact O-N 3.04Å; A435-S440 PolarHBondContact O-OG 2.96Å; A435-S440 VanDerWaalsContact O-OG 3.1Å; S440-H442 PolarHBondContact O-N 2.8Å; S440-H442 VanDerWaalsContact O-N 3.15Å
441Y98Very high97.7Very high84 Ų8440.6 Ų40.633%0.32923%0.227SC..EExtended strand (participates in β ladder)trans-76.5101.3172.2-178-103.7000109.6L413 V414 T415 I443 T500L413-Y441 PolarHBondContact O-N 2.85Å; V414-Y441 WeakPolarHBondContact CA-O 3.45Å; V414-Y441 HydrophobicContact CG1-CD1 4.18Å; V414-Y441 HydrophobicContact CG2-CD1 4.09Å; T415-Y441 PolarHBondContact N-O 2.71Å; Y441-I443 HydrophobicContact CD1-CD1 4.36Å; Y441-I443 HydrophobicContact CD1-CG1 4.18Å; Y441-I443 HydrophobicContact CE1-CD1 3.97Å; Y441-I443 HydrophobicContact CE1-CG1 3.89Å; Y441-T500 HydrophobicContact CD1-CG2 4.32Å; Y441-T500 HydrophobicContact CE1-CG2 4.09Å
442H98.3Very high97.7Very high48 Ų4845 Ų4522%0.22225%0.251CS..EExtended strand (participates in β ladder)trans-87140.9-175.8-158.553.7000113T415 A435 S440T415-H442 CarbonylContact O-C 3.55Å; T415-H442 WeakPolarHBondContact O-CA 3.47Å; T415-H442 PolarHBondContact O-ND1 3.45Å; T415-H442 PolarHBondContact OG1-ND1 2.93Å; A435-H442 HydrophobicContact CB-CB 3.74Å; A435-H442 VanDerWaalsContact CB-CG 3.49Å; A435-H442 VanDerWaalsContact CB-ND1 3.29Å; A435-H442 WeakPolarHBondContact CB-ND1 3.42Å; S440-H442 PolarHBondContact O-N 2.8Å; S440-H442 VanDerWaalsContact O-N 3.15Å
443I97.4Very high97.6Very high29 Ų2946 Ų4615%0.14926%0.26CS..EExtended strand (participates in β ladder)trans-129.8132.2173.6-49.2177.9000108.6V414 T415 C416 Y417 Y441 I445 F496 T500V414-I443 HydrophobicContact CG1-CD1 3.77Å; V414-I443 HydrophobicContact CG1-CG1 4.24Å; T415-I443 PolarHBondContact O-N 2.86Å; C416-I443 CarbonylContact C-O 3.58Å; C416-I443 VanDerWaalsContact CA-O 3.24Å; C416-I443 WeakPolarHBondContact CA-O 3.3Å; C416-I443 HydrophobicContact CB-CB 4.43Å; Y417-I443 PolarHBondContact N-O 2.68Å; Y441-I443 HydrophobicContact CD1-CD1 4.36Å; Y441-I443 HydrophobicContact CD1-CG1 4.18Å; Y441-I443 HydrophobicContact CE1-CD1 3.97Å; Y441-I443 HydrophobicContact CE1-CG1 3.89Å; I443-I445 HydrophobicContact CG2-CG2 4.03Å; I443-F496 HydrophobicContact CD1-CD1 3.93Å; I443-F496 HydrophobicContact CD1-CE1 4.13Å; I443-F496 HydrophobicContact CG2-CE1 4.43Å; I443-T500 HydrophobicContact CD1-CG2 4.43Å
444E97.3Very high97.6Very high88 Ų8845.9 Ų45.941%0.41126%0.261SS..EExtended strand (participates in β ladder)trans-110.2132168.9-66.8-161.4-144.400111R428R428-E444 WeakPolarHBondContact CD-OE2 3.32Å; R428-E444 VanDerWaalsContact CG-OE2 3.31Å; R428-E444 WeakPolarHBondContact CG-OE2 3.42Å; R428-E444 IonicContact CZ-OE2 2.72Å; R428-E444 IonicContact NE-OE2 2.65Å; R428-E444 PolarHBondContact NE-OE2 2.75Å; R428-E444 IonicContact NH2-OE2 2.87Å
445I97.2Very high97.4Very high31 Ų3147.5 Ų47.516%0.15927%0.27CS..EExtended strand (participates in β ladder)trans-134.3158.2175.565.9-178.5000111.9Y417 M418 G419 I443 L492 F496Y417-I445 PolarHBondContact O-N 3.28Å; M418-I445 HydrophobicContact CB-CD1 4.46Å; M418-I445 HydrophobicContact CB-CG1 4.16Å; M418-I445 HydrophobicContact CG-CD1 3.86Å; M418-I445 HydrophobicContact CG-CG1 3.9Å; M418-I445 HydrophobicContact SD-CD1 4.34Å; G419-I445 PolarHBondContact N-O 2.8Å; I443-I445 HydrophobicContact CG2-CG2 4.03Å; I445-L492 HydrophobicContact CD1-CB 4.36Å; I445-L492 HydrophobicContact CD1-CD1 3.94Å; I445-F496 HydrophobicContact CD1-CD2 4.48Å; I445-F496 HydrophobicContact CD1-CE2 3.76Å; I445-F496 HydrophobicContact CG2-CE2 4.33Å; I445-F496 HydrophobicContact CG2-CZ 4.08Å
446S96.8Very high97.4Very high64 Ų6451.2 Ų51.245%0.44830%0.296SS..EExtended strand (participates in β ladder)trans-100136.1163.9156.50000109.1G419 D448G419-S446 CarbonylContact O-C 3.54Å; G419-S446 WeakPolarHBondContact O-CA 3.16Å; S446-D448 WeakPolarHBondContact OG-CB 3.23Å; S446-D448 PolarHBondContact OG-N 3.33Å; S446-D448 VanDerWaalsContact OG-N 3.12Å; S446-D448 PolarHBondContact OG-OD2 3.02Å
447I97.4Very high97.3Very high1 Ų150.1 Ų50.11%0.00529%0.288CS..  trans-90.1-4.617369.7171.5000112.9M418 G419 S449 A450 V451 Q485 I488 R489 L492M418-I447 HydrophobicContact CB-CG2 4Å; G419-I447 PolarHBondContact O-N 3.36Å; I447-S449 VanDerWaalsContact C-N 3.34Å; I447-S449 PolarHBondContact O-N 3.2Å; I447-A450 PolarHBondContact O-N 3.12Å; I447-V451 HydrophobicContact CD1-CG2 4.03Å; I447-V451 HydrophobicContact CG1-CG2 3.95Å; I447-V451 WeakPolarHBondContact O-CG2 3.22Å; I447-V451 PolarHBondContact O-N 2.87Å; I447-Q485 HydrophobicContact CD1-CB 3.82Å; I447-Q485 HydrophobicContact CD1-CG 4.02Å; I447-I488 HydrophobicContact CB-CG2 3.94Å; I447-I488 HydrophobicContact CG2-CG2 4.26Å; I447-R489 HydrophobicContact CD1-CG 4.16Å; I447-R489 HydrophobicContact CG2-CG 4.11Å; I447-L492 HydrophobicContact CB-CD1 4.42Å; I447-L492 HydrophobicContact CG2-CD1 3.71Å
448D96.6Very high97.3Very high25 Ų2551.7 Ų51.713%0.13429%0.294CS..Hα-helixtrans-65.9-33.5-164.7-56.9-70.1000112.8S420 V421 S446 A450 V451 N452S420-D448 VanDerWaalsContact CA-OD1 3.23Å; S420-D448 WeakPolarHBondContact CA-OD1 3.37Å; S420-D448 WeakPolarHBondContact CA-OD2 3.5Å; S420-D448 VanDerWaalsContact CB-OD1 3.25Å; S420-D448 WeakPolarHBondContact CB-OD1 3.47Å; V421-D448 PolarHBondContact N-OD1 3.47Å; V421-D448 PolarHBondContact N-OD2 3.01Å; S446-D448 WeakPolarHBondContact OG-CB 3.23Å; S446-D448 PolarHBondContact OG-N 3.33Å; S446-D448 VanDerWaalsContact OG-N 3.12Å; S446-D448 PolarHBondContact OG-OD2 3.02Å; D448-A450 VanDerWaalsContact C-N 3.34Å; D448-A450 PolarHBondContact O-N 3.23Å; D448-V451 PolarHBondContact O-N 3.18Å; D448-N452 VanDerWaalsContact O-CB 3.3Å; D448-N452 WeakPolarHBondContact O-CB 3.13Å; D448-N452 PolarHBondContact O-N 2.88Å; D448-N452 PolarHBondContact O-ND2 3.31Å; D448-N452 VanDerWaalsContact O-ND2 3.08Å
449S97.1Very high97.2Very high99 Ų9954.6 Ų54.669%0.69231%0.31SS*.Hα-helixtrans-62.9-38.6173.3-58.70000112.5I447 A453I447-S449 VanDerWaalsContact C-N 3.34Å; I447-S449 PolarHBondContact O-N 3.2Å; S449-A453 WeakPolarHBondContact O-CB 3.42Å; S449-A453 PolarHBondContact O-N 2.97Å
450A97.1Very high97.2Very high37 Ų3758.1 Ų58.131%0.30634%0.338SS..Hα-helixtrans-75.3-38.8176.800000111.9I447 D448 A453 L454 I488I447-A450 PolarHBondContact O-N 3.12Å; D448-A450 VanDerWaalsContact C-N 3.34Å; D448-A450 PolarHBondContact O-N 3.23Å; A450-A453 PolarHBondContact O-N 3.27Å; A450-L454 PolarHBondContact O-N 3.05Å; A450-I488 HydrophobicContact CB-CD1 4.42Å; A450-I488 HydrophobicContact CB-CG2 3.83Å
451V96Very high97.2Very high16 Ų1663.6 Ų63.610%0.09737%0.371CS..Hα-helixtrans-56-51.2171.6164.40000110.4I447 D448 A453 L454 L455 M484 Q485 I488I447-V451 HydrophobicContact CD1-CG2 4.03Å; I447-V451 HydrophobicContact CG1-CG2 3.95Å; I447-V451 WeakPolarHBondContact O-CG2 3.22Å; I447-V451 PolarHBondContact O-N 2.87Å; D448-V451 PolarHBondContact O-N 3.18Å; V451-A453 PolarHBondContact O-N 3.42Å; V451-L454 PolarHBondContact O-N 3.32Å; V451-L455 HydrophobicContact CG1-CD1 3.95Å; V451-L455 WeakPolarHBondContact O-CG 3.37Å; V451-L455 PolarHBondContact O-N 3.14Å; V451-M484 HydrophobicContact CB-CE 4.47Å; V451-M484 HydrophobicContact CG1-CE 3.83Å; V451-Q485 HydrophobicContact CG2-CG 3.93Å; V451-I488 HydrophobicContact CB-CD1 4.25Å; V451-I488 HydrophobicContact CG2-CD1 3.56Å
452N96.5Very high97.1Very high93 Ų9362.4 Ų62.450%0.49737%0.372SS..Hα-helixtrans-64.7-39.5179.9-72-32.3000111.9D448 L455 S456D448-N452 VanDerWaalsContact O-CB 3.3Å; D448-N452 WeakPolarHBondContact O-CB 3.13Å; D448-N452 PolarHBondContact O-N 2.88Å; D448-N452 PolarHBondContact O-ND2 3.31Å; D448-N452 VanDerWaalsContact O-ND2 3.08Å; N452-L455 PolarHBondContact O-N 3.38Å; N452-S456 WeakPolarHBondContact O-CB 3.14Å; N452-S456 PolarHBondContact O-N 2.88Å; N452-S456 PolarHBondContact O-OG 2.92Å
453A97.6Very high97.1Very high50 Ų5063 Ų6341%0.41339%0.392SS..Hα-helixtrans-60.6-46.1175.400000112.7S449 A450 V451 L455 S456 I457S449-A453 WeakPolarHBondContact O-CB 3.42Å; S449-A453 PolarHBondContact O-N 2.97Å; A450-A453 PolarHBondContact O-N 3.27Å; V451-A453 PolarHBondContact O-N 3.42Å; A453-L455 PolarHBondContact O-N 2.99Å; A453-S456 PolarHBondContact O-N 3.34Å; A453-I457 WeakPolarHBondContact O-CG1 3.32Å; A453-I457 PolarHBondContact O-N 2.82Å
454L96.7Very high97.1Very high80 Ų8067.3 Ų67.342%0.41941%0.414SS..Hα-helixtrans-65.8-37.2176.9-65.5-167.7000112.4A450 V451 I457 F458 M484 I488A450-L454 PolarHBondContact O-N 3.05Å; V451-L454 PolarHBondContact O-N 3.32Å; L454-I457 HydrophobicContact CD2-CD1 4.33Å; L454-I457 PolarHBondContact O-N 3.16Å; L454-F458 PolarHBondContact O-N 2.97Å; L454-M484 HydrophobicContact CB-SD 3.89Å; L454-M484 HydrophobicContact CD1-CG 4.04Å; L454-M484 HydrophobicContact CD1-SD 4.36Å; L454-I488 HydrophobicContact CD1-CD1 3.94Å; L454-I488 HydrophobicContact CD1-CG1 3.98Å
455L96.2Very high97Very high35 Ų3567 Ų6718%0.18342%0.419CS..Hα-helixtrans-66-39.7174.2-71.3171.1000112.3V451 N452 A453 F458 N459 P466 L481 M484V451-L455 HydrophobicContact CG1-CD1 3.95Å; V451-L455 WeakPolarHBondContact O-CG 3.37Å; V451-L455 PolarHBondContact O-N 3.14Å; N452-L455 PolarHBondContact O-N 3.38Å; A453-L455 PolarHBondContact O-N 2.99Å; L455-F458 PolarHBondContact O-N 2.89Å; L455-N459 VanDerWaalsContact O-CB 3.32Å; L455-N459 WeakPolarHBondContact O-CB 3.35Å; L455-N459 PolarHBondContact O-N 3.35Å; L455-P466 HydrophobicContact CD2-CG 3.89Å; L455-L481 HydrophobicContact CD1-CD2 4.36Å; L455-L481 HydrophobicContact CD2-CD2 3.7Å; L455-M484 HydrophobicContact CD1-CE 4.13Å; L455-M484 HydrophobicContact CD2-CE 3.95Å; L455-M484 HydrophobicContact CD2-SD 4.27Å; L455-M484 HydrophobicContact CG-CE 3.81Å; L455-M484 HydrophobicContact CG-SD 4.31Å
456S97.3Very high96.9Very high78 Ų7866.7 Ų66.755%0.54542%0.419SS..Hα-helixtrans-63-41.2174.5-630000111.9N452 A453 N459 A460N452-S456 WeakPolarHBondContact O-CB 3.14Å; N452-S456 PolarHBondContact O-N 2.88Å; N452-S456 PolarHBondContact O-OG 2.92Å; A453-S456 PolarHBondContact O-N 3.34Å; S456-N459 PolarHBondContact O-N 2.91Å; S456-A460 VanDerWaalsContact O-CB 3.25Å; S456-A460 WeakPolarHBondContact O-CB 3.34Å; S456-A460 PolarHBondContact O-N 3.16Å
457I97.6Very high96.8Very high107 Ų10770.5 Ų70.555%0.54942%0.423SS..Hα-helixtrans-62.6-46.8174.5-68.8159.2000110.8A453 L454 N459 A460 V461A453-I457 WeakPolarHBondContact O-CG1 3.32Å; A453-I457 PolarHBondContact O-N 2.82Å; L454-I457 HydrophobicContact CD2-CD1 4.33Å; L454-I457 PolarHBondContact O-N 3.16Å; I457-N459 PolarHBondContact O-N 2.92Å; I457-A460 PolarHBondContact O-N 3.17Å; I457-V461 WeakPolarHBondContact O-CG2 3.45Å; I457-V461 PolarHBondContact O-N 3.16Å
458F97.4Very high96.6Very high99 Ų9971.5 Ų71.543%0.43443%0.427SS..Hα-helixtrans-62.7-43.7178.2-177.2-90.1000112.2L454 L455 V461 T462 L464L454-F458 PolarHBondContact O-N 2.97Å; L455-F458 PolarHBondContact O-N 2.89Å; F458-V461 PolarHBondContact O-N 3Å; F458-T462 HydrophobicContact CD2-CG2 4.31Å; F458-T462 HydrophobicContact CE1-CG2 4.18Å; F458-T462 VanDerWaalsContact CE1-OG1 3.32Å; F458-T462 WeakPolarHBondContact CE1-OG1 3.47Å; F458-T462 HydrophobicContact CE2-CG2 3.96Å; F458-T462 HydrophobicContact CZ-CG2 3.89Å; F458-T462 WeakPolarHBondContact O-CB 3.38Å; F458-T462 WeakPolarHBondContact O-CG2 3.48Å; F458-T462 PolarHBondContact O-N 3.43Å; F458-T462 PolarHBondContact O-OG1 2.9Å; F458-L464 WeakPolarHBondContact CD1-O 3.37Å; F458-L464 HydrophobicContact CE1-CB 4.36Å
459N97Very high96.3Very high62 Ų6275.6 Ų75.633%0.33244%0.441SS..Hα-helixtrans-64.2-45.4177.5179.3-88.9000111.6L455 S456 I457 V461 T462 G463 L464 T465L455-N459 VanDerWaalsContact O-CB 3.32Å; L455-N459 WeakPolarHBondContact O-CB 3.35Å; L455-N459 PolarHBondContact O-N 3.35Å; S456-N459 PolarHBondContact O-N 2.91Å; I457-N459 PolarHBondContact O-N 2.92Å; N459-V461 PolarHBondContact O-N 2.96Å; N459-T462 PolarHBondContact O-N 2.89Å; N459-G463 WeakPolarHBondContact O-CA 3.34Å; N459-G463 PolarHBondContact O-N 2.92Å; N459-L464 WeakPolarHBondContact CA-O 3.35Å; N459-T465 PolarHBondContact ND2-OG1 3.45Å
460A97.6Very high95.8Very high87 Ų8774 Ų7472%0.71943%0.428SS*.Hα-helixtrans-61.4-29.7-179.900000113.5S456 I457S456-A460 VanDerWaalsContact O-CB 3.25Å; S456-A460 WeakPolarHBondContact O-CB 3.34Å; S456-A460 PolarHBondContact O-N 3.16Å; I457-A460 PolarHBondContact O-N 3.17Å
461V97.4Very high95.5Very high122 Ų12277 Ų7774%0.73944%0.435SS*.Hα-helixtrans-88.2-30.4178.3175.80000112.9I457 F458 N459I457-V461 WeakPolarHBondContact O-CG2 3.45Å; I457-V461 PolarHBondContact O-N 3.16Å; F458-V461 PolarHBondContact O-N 3Å; N459-V461 PolarHBondContact O-N 2.96Å
462T97.5Very high95.3Very high59 Ų5979.7 Ų79.736%0.36247%0.466SS..Hα-helixtrans-113.8-15.4-170660000115.4F458 N459 L464F458-T462 HydrophobicContact CD2-CG2 4.31Å; F458-T462 HydrophobicContact CE1-CG2 4.18Å; F458-T462 VanDerWaalsContact CE1-OG1 3.32Å; F458-T462 WeakPolarHBondContact CE1-OG1 3.47Å; F458-T462 HydrophobicContact CE2-CG2 3.96Å; F458-T462 HydrophobicContact CZ-CG2 3.89Å; F458-T462 WeakPolarHBondContact O-CB 3.38Å; F458-T462 WeakPolarHBondContact O-CG2 3.48Å; F458-T462 PolarHBondContact O-N 3.43Å; F458-T462 PolarHBondContact O-OG1 2.9Å; N459-T462 PolarHBondContact O-N 2.89Å; T462-L464 PolarHBondContact O-N 3.05Å; T462-L464 PolarHBondContact OG1-N 3.04Å; T462-L464 PolarHBondContact OG1-O 3.38Å
463G97Very high95.1Very high62 Ų6275.7 Ų75.764%0.63945%0.447SS*.SBendtrans69.13.5-168.500000114.6N459N459-G463 WeakPolarHBondContact O-CA 3.34Å; N459-G463 PolarHBondContact O-N 2.92Å
464L96.8Very high95Very high118 Ų11876.7 Ų76.762%0.61845%0.45SS*.  trans-115.7143.9-172.7-62.9176000111.9F458 N459 T462F458-L464 WeakPolarHBondContact CD1-O 3.37Å; F458-L464 HydrophobicContact CE1-CB 4.36Å; N459-L464 WeakPolarHBondContact CA-O 3.35Å; T462-L464 PolarHBondContact O-N 3.05Å; T462-L464 PolarHBondContact OG1-N 3.04Å; T462-L464 PolarHBondContact OG1-O 3.38Å
465T95.2Very high94.8Very high82 Ų8276.3 Ų76.350%0.50346%0.459SS..  trans-117.3113.5172.7-55.80000109.2N459N459-T465 PolarHBondContact ND2-OG1 3.45Å
466P96.5Very high94.8Very high24 Ų2484.9 Ų84.916%0.15649%0.488CS..  trans-66.3149.8173.828.3-33.3000110.8L455 Q477 L481L455-P466 HydrophobicContact CD2-CG 3.89Å; P466-Q477 HydrophobicContact CB-CB 3.97Å; P466-Q477 HydrophobicContact CB-CG 4.04Å; P466-L481 HydrophobicContact CB-CD2 4.5Å; P466-L481 HydrophobicContact CB-CG 4.38Å; P466-L481 HydrophobicContact CG-CD2 4.05Å; P466-L481 HydrophobicContact CG-CG 4.45Å
467R94.8Very high94.8Very high144 Ų14484.5 Ų84.554%0.54348%0.478SS..  trans-123.9157.3179.8-61.8-173.3-175.1-175.6-0.4111.9Q471 G473 Q477 L481R467-Q471 HydrophobicContact CB-CB 4.05Å; R467-Q471 VanDerWaalsContact CD-O 3.24Å; R467-Q471 WeakPolarHBondContact CD-O 3.36Å; R467-G473 WeakPolarHBondContact O-CA 3.47Å; R467-Q477 WeakPolarHBondContact O-CB 3.25Å; R467-L481 WeakPolarHBondContact O-CD1 3.28Å
468F93Very high94.6Very high22 Ų2279.6 Ų79.610%0.09645%0.453CS..  trans-71.6162.3169.9-70.5-76.5000111.4T470 Q471 G472 G473 L481 Q482 L575 E576 P577F468-T470 VanDerWaalsContact C-N 3.29Å; F468-T470 PolarHBondContact O-N 3.44Å; F468-Q471 HydrophobicContact CB-CG 4.41Å; F468-Q471 CarbonylContact O-C 3.47Å; F468-Q471 WeakPolarHBondContact O-CA 3.3Å; F468-Q471 PolarHBondContact O-N 3.39Å; F468-G472 PolarHBondContact O-N 3.35Å; F468-G473 WeakPolarHBondContact O-CA 3.24Å; F468-G473 PolarHBondContact O-N 2.89Å; F468-L481 HydrophobicContact CD1-CB 4.02Å; F468-L481 HydrophobicContact CD1-CD1 3.93Å; F468-L481 HydrophobicContact CD2-CD1 3.84Å; F468-L481 HydrophobicContact CE1-CB 3.47Å; F468-L481 VanDerWaalsContact CE1-CB 3.47Å; F468-L481 HydrophobicContact CE1-CD1 4.06Å; F468-L481 HydrophobicContact CE1-CG 4.4Å; F468-L481 HydrophobicContact CE2-CB 4.42Å; F468-L481 HydrophobicContact CE2-CD1 3.98Å; F468-L481 HydrophobicContact CG-CD1 3.82Å; F468-L481 HydrophobicContact CZ-CB 3.71Å; F468-L481 HydrophobicContact CZ-CD1 4.08Å; F468-L481 HydrophobicContact CZ-CG 4.41Å; F468-Q482 HydrophobicContact CE1-CG 4.43Å; F468-L575 WeakPolarHBondContact CE1-O 3.38Å; F468-E576 HydrophobicContact CD1-CG 4.3Å; F468-P577 HydrophobicContact CB-CG 4.01Å; F468-P577 HydrophobicContact CD2-CG 3.61Å; F468-P577 HydrophobicContact CE2-CG 4.17Å; F468-P577 HydrophobicContact CG-CG 3.81Å
469R90.2Very high94.4Very high111 Ų11179.4 Ų79.442%0.41946%0.456SS..G310 helixtrans-55.7-45.5178.8-170.4-166.3-71120.7-16.3111.3Q471 G472 N478 E576R469-Q471 PolarHBondContact O-N 3.21Å; R469-Q471 VanDerWaalsContact O-N 3.14Å; R469-G472 PolarHBondContact O-N 3.49Å; R469-G472 VanDerWaalsContact O-N 3.15Å; R469-N478 HydrophobicContact CB-CB 4.25Å; R469-N478 PolarHBondContact N-OD1 2.96Å; R469-E576 IonicContact CZ-OE1 2.66Å; R469-E576 IonicContact CZ-OE2 3.93Å; R469-E576 IonicContact NH1-OE1 2.92Å; R469-E576 PolarHBondContact NH1-OE1 2.64Å; R469-E576 IonicContact NH1-OE2 3.6Å; R469-E576 PolarHBondContact NH1-OE2 3.21Å; R469-E576 IonicContact NH2-OE1 2.65Å
470T86.9Confident94.4Very high67 Ų6778.8 Ų78.841%0.41146%0.459SS..G310 helixtrans-60-18.3174.851.80000114.3F468 Q585F468-T470 VanDerWaalsContact C-N 3.29Å; F468-T470 PolarHBondContact O-N 3.44Å; T470-Q585 HydrophobicContact CG2-CG 4.25Å; T470-Q585 VanDerWaalsContact CG2-OE1 3.27Å
471Q90.1Very high94.4Very high99 Ų9975 Ų7546%0.46343%0.427SS..G310 helixtrans-108.117.7-178.8-62.8171-10.100112.6R467 F468 R469R467-Q471 HydrophobicContact CB-CB 4.05Å; R467-Q471 VanDerWaalsContact CD-O 3.24Å; R467-Q471 WeakPolarHBondContact CD-O 3.36Å; F468-Q471 HydrophobicContact CB-CG 4.41Å; F468-Q471 CarbonylContact O-C 3.47Å; F468-Q471 WeakPolarHBondContact O-CA 3.3Å; F468-Q471 PolarHBondContact O-N 3.39Å; R469-Q471 PolarHBondContact O-N 3.21Å; R469-Q471 VanDerWaalsContact O-N 3.14Å
472G91.8Very high94.3Very high73 Ų7370.5 Ų70.575%0.75340%0.398SS*.THydrogen-bonded Turntrans80.311.4-178.500000114.8F468 R469F468-G472 PolarHBondContact O-N 3.35Å; R469-G472 PolarHBondContact O-N 3.49Å; R469-G472 VanDerWaalsContact O-N 3.15Å
473G93.1Very high94.2Very high8 Ų869.4 Ų69.48%0.08239%0.39CS..  trans-75.7143.1175.600000112.8R467 F468R467-G473 WeakPolarHBondContact O-CA 3.47Å; F468-G473 WeakPolarHBondContact O-CA 3.24Å; F468-G473 PolarHBondContact O-N 2.89Å
474C95.3Very high94.2Very high71 Ų7168 Ų6848%0.4837%0.367SS..  trans-73.9161.7176.4760000111.7R476 Q477 N478C474-R476 PolarHBondContact O-N 3.15Å; C474-Q477 WeakPolarHBondContact O-CB 3.43Å; C474-Q477 PolarHBondContact O-N 2.87Å; C474-N478 PolarHBondContact O-N 2.63Å
475A92.7Very high94.2Very high73 Ų7362.5 Ų62.560%0.60334%0.338SS*.Hα-helixtrans-51.5-33.3-176.800000114.3L479A475-L479 VanDerWaalsContact O-CB 3.3Å; A475-L479 WeakPolarHBondContact O-CB 3.39Å; A475-L479 PolarHBondContact O-N 3.16Å
476R95.9Very high94.3Very high215 Ų21559.1 Ų59.181%0.81132%0.318SS*.Hα-helixtrans-67.7-41.5175.2-174.8-177.5-67.7-158.30.6112.8C474 A480C474-R476 PolarHBondContact O-N 3.15Å; R476-A480 VanDerWaalsContact O-CB 3.3Å; R476-A480 WeakPolarHBondContact O-CB 3.31Å; R476-A480 PolarHBondContact O-N 3.44Å
477Q96.6Very high94.4Very high70 Ų7062.5 Ų62.533%0.32733%0.328SS..Hα-helixtrans-68.9-45.5177.7-66.9176.14.500110.5P466 R467 C474 L479 A480 L481P466-Q477 HydrophobicContact CB-CB 3.97Å; P466-Q477 HydrophobicContact CB-CG 4.04Å; R467-Q477 WeakPolarHBondContact O-CB 3.25Å; C474-Q477 WeakPolarHBondContact O-CB 3.43Å; C474-Q477 PolarHBondContact O-N 2.87Å; Q477-L479 PolarHBondContact O-N 3.43Å; Q477-A480 WeakPolarHBondContact O-CB 3.33Å; Q477-A480 PolarHBondContact O-N 2.93Å; Q477-A480 VanDerWaalsContact O-N 3.16Å; Q477-L481 WeakPolarHBondContact O-CG 3.26Å; Q477-L481 PolarHBondContact O-N 3.47Å
478N94Very high94.5Very high4 Ų456.3 Ų56.32%0.02131%0.305CS..Hα-helixtrans-55-54.5176.9-168.758.1000111.6R469 C474 A480 L481 Q482 E576R469-N478 HydrophobicContact CB-CB 4.25Å; R469-N478 PolarHBondContact N-OD1 2.96Å; C474-N478 PolarHBondContact O-N 2.63Å; N478-A480 VanDerWaalsContact C-N 3.31Å; N478-A480 PolarHBondContact O-N 2.95Å; N478-L481 PolarHBondContact O-N 3.43Å; N478-Q482 PolarHBondContact ND2-NE2 3.19Å; N478-Q482 WeakPolarHBondContact O-CG 3.32Å; N478-Q482 PolarHBondContact O-N 3.5Å; N478-Q482 VanDerWaalsContact O-N 3.09Å; N478-E576 VanDerWaalsContact ND2-CD 3.26Å; N478-E576 PolarHBondContact ND2-OE1 3.48Å; N478-E576 PolarHBondContact OD1-OE2 2.88Å
479L93.9Very high94.8Very high94 Ų9456.9 Ų56.949%0.49231%0.307SS..Hα-helixtrans-62.5-34.8177.418058.8000112.5A475 Q477 N483A475-L479 VanDerWaalsContact O-CB 3.3Å; A475-L479 WeakPolarHBondContact O-CB 3.39Å; A475-L479 PolarHBondContact O-N 3.16Å; Q477-L479 PolarHBondContact O-N 3.43Å; L479-N483 VanDerWaalsContact O-CB 3.24Å; L479-N483 WeakPolarHBondContact O-CB 3.26Å; L479-N483 PolarHBondContact O-N 3.28Å; L479-N483 PolarHBondContact O-ND2 3.41Å
480A96.6Very high95.1Very high49 Ų4953.4 Ų53.441%0.40530%0.296SS..Hα-helixtrans-65.1-42.1176.100000112.5R476 Q477 N478 M484R476-A480 VanDerWaalsContact O-CB 3.3Å; R476-A480 WeakPolarHBondContact O-CB 3.31Å; R476-A480 PolarHBondContact O-N 3.44Å; Q477-A480 WeakPolarHBondContact O-CB 3.33Å; Q477-A480 PolarHBondContact O-N 2.93Å; Q477-A480 VanDerWaalsContact O-N 3.16Å; N478-A480 VanDerWaalsContact C-N 3.31Å; N478-A480 PolarHBondContact O-N 2.95Å; A480-M484 VanDerWaalsContact O-CB 3.31Å; A480-M484 WeakPolarHBondContact O-CB 3.24Å; A480-M484 PolarHBondContact O-N 3.02Å
481L96.5Very high95.7Very high7 Ų754 Ų544%0.03730%0.299CS..Hα-helixtrans-67.4-40.2177.8-72170.9000112.9L455 P466 R467 F468 Q477 N478 M484 Q485L455-L481 HydrophobicContact CD1-CD2 4.36Å; L455-L481 HydrophobicContact CD2-CD2 3.7Å; P466-L481 HydrophobicContact CB-CD2 4.5Å; P466-L481 HydrophobicContact CB-CG 4.38Å; P466-L481 HydrophobicContact CG-CD2 4.05Å; P466-L481 HydrophobicContact CG-CG 4.45Å; R467-L481 WeakPolarHBondContact O-CD1 3.28Å; F468-L481 HydrophobicContact CD1-CB 4.02Å; F468-L481 HydrophobicContact CD1-CD1 3.93Å; F468-L481 HydrophobicContact CD2-CD1 3.84Å; F468-L481 HydrophobicContact CE1-CB 3.47Å; F468-L481 VanDerWaalsContact CE1-CB 3.47Å; F468-L481 HydrophobicContact CE1-CD1 4.06Å; F468-L481 HydrophobicContact CE1-CG 4.4Å; F468-L481 HydrophobicContact CE2-CB 4.42Å; F468-L481 HydrophobicContact CE2-CD1 3.98Å; F468-L481 HydrophobicContact CG-CD1 3.82Å; F468-L481 HydrophobicContact CZ-CB 3.71Å; F468-L481 HydrophobicContact CZ-CD1 4.08Å; F468-L481 HydrophobicContact CZ-CG 4.41Å; Q477-L481 WeakPolarHBondContact O-CG 3.26Å; Q477-L481 PolarHBondContact O-N 3.47Å; N478-L481 PolarHBondContact O-N 3.43Å; L481-M484 HydrophobicContact CD2-CE 4.07Å; L481-Q485 PolarHBondContact O-N 3.35Å; L481-Q485 PolarHBondContact O-NE2 3.23Å
482Q95.1Very high96.1Very high29 Ų2951 Ų5114%0.13629%0.286CS..Hα-helixtrans-62.6-54.1173.2-66.2-174.54200110.9F468 N478 M484 Q485 S486 L575 E576F468-Q482 HydrophobicContact CE1-CG 4.43Å; N478-Q482 PolarHBondContact ND2-NE2 3.19Å; N478-Q482 WeakPolarHBondContact O-CG 3.32Å; N478-Q482 PolarHBondContact O-N 3.5Å; N478-Q482 VanDerWaalsContact O-N 3.09Å; Q482-M484 PolarHBondContact O-N 3.43Å; Q482-Q485 PolarHBondContact O-N 3.48Å; Q482-Q485 VanDerWaalsContact O-N 3.15Å; Q482-S486 PolarHBondContact O-N 3.5Å; Q482-S486 VanDerWaalsContact O-N 3.11Å; Q482-S486 PolarHBondContact O-OG 3.04Å; Q482-L575 HydrophobicContact CB-CB 3.87Å; Q482-L575 HydrophobicContact CB-CD1 3.93Å; Q482-L575 HydrophobicContact CG-CB 3.61Å; Q482-L575 HydrophobicContact CG-CD1 4.49Å; Q482-E576 HydrophobicContact CG-CG 4.22Å; Q482-E576 VanDerWaalsContact NE2-CG 3.26Å; Q482-E576 PolarHBondContact NE2-OE1 3.39Å
483N96.7Very high96.4Very high36 Ų3647.6 Ų47.619%0.19325%0.25CS..Hα-helixtrans-54.2-40.1178.1-72.5-26.5000112.1L479 S486 R487 T527L479-N483 VanDerWaalsContact O-CB 3.24Å; L479-N483 WeakPolarHBondContact O-CB 3.26Å; L479-N483 PolarHBondContact O-N 3.28Å; L479-N483 PolarHBondContact O-ND2 3.41Å; N483-S486 PolarHBondContact O-N 3.31Å; N483-R487 WeakPolarHBondContact O-CG 3.35Å; N483-R487 PolarHBondContact O-N 2.96Å; N483-T527 HydrophobicContact CB-CG2 3.74Å; N483-T527 VanDerWaalsContact OD1-CG2 3.24Å; N483-T527 WeakPolarHBondContact OD1-CG2 3.24Å; N483-T527 PolarHBondContact OD1-OG1 2.97Å
484M96.6Very high96.7Very high31 Ų3150.1 Ų50.115%0.15326%0.258CS..Hα-helixtrans-64-46179.8-176.9-174.267.200112.1V451 L454 L455 A480 L481 Q482 S486 R487 I488V451-M484 HydrophobicContact CB-CE 4.47Å; V451-M484 HydrophobicContact CG1-CE 3.83Å; L454-M484 HydrophobicContact CB-SD 3.89Å; L454-M484 HydrophobicContact CD1-CG 4.04Å; L454-M484 HydrophobicContact CD1-SD 4.36Å; L455-M484 HydrophobicContact CD1-CE 4.13Å; L455-M484 HydrophobicContact CD2-CE 3.95Å; L455-M484 HydrophobicContact CD2-SD 4.27Å; L455-M484 HydrophobicContact CG-CE 3.81Å; L455-M484 HydrophobicContact CG-SD 4.31Å; A480-M484 VanDerWaalsContact O-CB 3.31Å; A480-M484 WeakPolarHBondContact O-CB 3.24Å; A480-M484 PolarHBondContact O-N 3.02Å; L481-M484 HydrophobicContact CD2-CE 4.07Å; Q482-M484 PolarHBondContact O-N 3.43Å; M484-S486 VanDerWaalsContact C-N 3.33Å; M484-S486 PolarHBondContact O-N 3Å; M484-R487 PolarHBondContact O-N 2.87Å; M484-I488 HydrophobicContact CG-CD1 4.07Å; M484-I488 VanDerWaalsContact O-CG1 3.31Å; M484-I488 WeakPolarHBondContact O-CG1 3.18Å; M484-I488 PolarHBondContact O-N 3.19Å
485Q97.3Very high96.8Very high4 Ų450.5 Ų50.52%0.01925%0.254CS..Hα-helixtrans-57.4-46.7173.8-72.7169.292.800111.2S420 N422 I447 V451 L481 Q482 R487 I488 R489 L575S420-Q485 PolarHBondContact OG-OE1 3.04Å; N422-Q485 PolarHBondContact ND2-OE1 2.87Å; I447-Q485 HydrophobicContact CD1-CB 3.82Å; I447-Q485 HydrophobicContact CD1-CG 4.02Å; V451-Q485 HydrophobicContact CG2-CG 3.93Å; L481-Q485 PolarHBondContact O-N 3.35Å; L481-Q485 PolarHBondContact O-NE2 3.23Å; Q482-Q485 PolarHBondContact O-N 3.48Å; Q482-Q485 VanDerWaalsContact O-N 3.15Å; Q485-R487 PolarHBondContact O-N 3.09Å; Q485-I488 PolarHBondContact O-N 2.9Å; Q485-R489 WeakPolarHBondContact O-CG 3.15Å; Q485-R489 PolarHBondContact O-N 3.05Å; Q485-R489 VanDerWaalsContact O-N 3.16Å; Q485-L575 HydrophobicContact CB-CD2 4.47Å; Q485-L575 PolarHBondContact NE2-O 2.8Å
486S96.8Very high97Very high11 Ų1149.7 Ų49.78%0.07724%0.237CC..Hα-helixtrans-64.1-36.8-178.8-52.30000112.9Q482 N483 M484 M490 D530 L575Q482-S486 PolarHBondContact O-N 3.5Å; Q482-S486 VanDerWaalsContact O-N 3.11Å; Q482-S486 PolarHBondContact O-OG 3.04Å; N483-S486 PolarHBondContact O-N 3.31Å; M484-S486 VanDerWaalsContact C-N 3.33Å; M484-S486 PolarHBondContact O-N 3Å; S486-M490 PolarHBondContact O-N 3.02Å; S486-D530 VanDerWaalsContact CB-CB 3.46Å; S486-D530 WeakPolarHBondContact O-CB 2.92Å; S486-L575 WeakPolarHBondContact OG-CD1 3.34Å
487R98.1Very high97.1Very high95 Ų9539.6 Ų39.636%0.35820%0.2SC..Hα-helixtrans-73-35.1174.3-63.4-158.9-172.989.57.7113.6N483 M484 Q485 R489 M490 V491 T527 K528 Y529N483-R487 WeakPolarHBondContact O-CG 3.35Å; N483-R487 PolarHBondContact O-N 2.96Å; M484-R487 PolarHBondContact O-N 2.87Å; Q485-R487 PolarHBondContact O-N 3.09Å; R487-R489 VanDerWaalsContact C-N 3.27Å; R487-R489 PolarHBondContact O-N 3.46Å; R487-M490 PolarHBondContact O-N 3.21Å; R487-V491 PolarHBondContact O-N 3.23Å; R487-T527 HydrophobicContact CG-CG2 4.33Å; R487-K528 PolarHBondContact NE-O 3.1Å; R487-K528 PolarHBondContact NH2-O 2.92Å; R487-Y529 WeakPolarHBondContact CG-O 3.46Å
488I97.8Very high97.2Very high14 Ų1442.5 Ų42.57%0.07221%0.213CC..Hα-helixtrans-59.9-41.6174-71.6162.9000110.3I447 A450 V451 L454 M484 Q485 M490 V491 L492I447-I488 HydrophobicContact CB-CG2 3.94Å; I447-I488 HydrophobicContact CG2-CG2 4.26Å; A450-I488 HydrophobicContact CB-CD1 4.42Å; A450-I488 HydrophobicContact CB-CG2 3.83Å; V451-I488 HydrophobicContact CB-CD1 4.25Å; V451-I488 HydrophobicContact CG2-CD1 3.56Å; L454-I488 HydrophobicContact CD1-CD1 3.94Å; L454-I488 HydrophobicContact CD1-CG1 3.98Å; M484-I488 HydrophobicContact CG-CD1 4.07Å; M484-I488 VanDerWaalsContact O-CG1 3.31Å; M484-I488 WeakPolarHBondContact O-CG1 3.18Å; M484-I488 PolarHBondContact O-N 3.19Å; Q485-I488 PolarHBondContact O-N 2.9Å; I488-M490 VanDerWaalsContact C-N 3.32Å; I488-M490 PolarHBondContact O-N 3.42Å; I488-V491 PolarHBondContact O-N 3.44Å; I488-L492 HydrophobicContact CG2-CD1 3.75Å; I488-L492 HydrophobicContact CG2-CG 4.35Å; I488-L492 WeakPolarHBondContact O-CG 3.14Å; I488-L492 PolarHBondContact O-N 2.56Å
489R98.2Very high97.4Very high34 Ų3446.2 Ų46.213%0.12823%0.233CC..Hα-helixtrans-59.5-40.3175.3-68179.7176.7115.5-2.8112.6M418 I447 Q485 R487 L492 A493M418-R489 HydrophobicContact CB-CG 3.84Å; M418-R489 PolarHBondContact O-NE 3.37Å; M418-R489 PolarHBondContact O-NH2 3.1Å; M418-R489 HydrophobicContact SD-CB 3.71Å; M418-R489 HydrophobicContact SD-CG 3.94Å; M418-R489 VanDerWaalsContact SD-O 3.4Å; I447-R489 HydrophobicContact CD1-CG 4.16Å; I447-R489 HydrophobicContact CG2-CG 4.11Å; Q485-R489 WeakPolarHBondContact O-CG 3.15Å; Q485-R489 PolarHBondContact O-N 3.05Å; Q485-R489 VanDerWaalsContact O-N 3.16Å; R487-R489 VanDerWaalsContact C-N 3.27Å; R487-R489 PolarHBondContact O-N 3.46Å; R489-L492 PolarHBondContact O-N 3.42Å; R489-A493 WeakPolarHBondContact O-CB 3.37Å; R489-A493 PolarHBondContact O-N 2.94Å
490M98.2Very high97.6Very high38 Ų3842.1 Ų42.119%0.18721%0.212CC..Hα-helixtrans-64-47.4174.9-179.6-80.2-70.800112S486 R487 I488 L492 A493 Y494 Y529S486-M490 PolarHBondContact O-N 3.02Å; R487-M490 PolarHBondContact O-N 3.21Å; I488-M490 VanDerWaalsContact C-N 3.32Å; I488-M490 PolarHBondContact O-N 3.42Å; M490-L492 VanDerWaalsContact C-N 3.31Å; M490-L492 PolarHBondContact O-N 3.37Å; M490-A493 WeakPolarHBondContact O-CB 3.26Å; M490-A493 PolarHBondContact O-N 3.26Å; M490-A493 VanDerWaalsContact O-N 3.1Å; M490-Y494 HydrophobicContact CG-CD2 4.19Å; M490-Y494 HydrophobicContact CG-CE2 4.14Å; M490-Y494 WeakPolarHBondContact O-CD2 3.43Å; M490-Y494 PolarHBondContact O-N 3.04Å; M490-Y494 VanDerWaalsContact O-N 3.16Å; M490-Y494 HydrophobicContact SD-CD2 3.69Å; M490-Y494 HydrophobicContact SD-CE2 3.93Å; M490-Y529 VanDerWaalsContact CE-O 3.28Å; M490-Y529 WeakPolarHBondContact CE-O 3.39Å
491V98.4Very high97.6Very high78 Ų7839.8 Ų39.847%0.47319%0.193SC..Hα-helixtrans-59.6-43177.9174.70000111.1R487 I488 I495R487-V491 PolarHBondContact O-N 3.23Å; I488-V491 PolarHBondContact O-N 3.44Å; V491-I495 HydrophobicContact CG1-CD1 3.98Å; V491-I495 VanDerWaalsContact O-CG1 3.32Å; V491-I495 WeakPolarHBondContact O-CG1 3.29Å; V491-I495 PolarHBondContact O-N 3.1Å
492L98.2Very high97.6Very high37 Ų3748.5 Ų48.519%0.19423%0.225CC..Hα-helixtrans-65.3-39.7175.4-68.6168.4000111.9M418 I445 I447 I488 R489 M490 Y494 I495 F496M418-L492 HydrophobicContact CE-CB 4.35Å; M418-L492 HydrophobicContact SD-CB 4.23Å; I445-L492 HydrophobicContact CD1-CB 4.36Å; I445-L492 HydrophobicContact CD1-CD1 3.94Å; I447-L492 HydrophobicContact CB-CD1 4.42Å; I447-L492 HydrophobicContact CG2-CD1 3.71Å; I488-L492 HydrophobicContact CG2-CD1 3.75Å; I488-L492 HydrophobicContact CG2-CG 4.35Å; I488-L492 WeakPolarHBondContact O-CG 3.14Å; I488-L492 PolarHBondContact O-N 2.56Å; R489-L492 PolarHBondContact O-N 3.42Å; M490-L492 VanDerWaalsContact C-N 3.31Å; M490-L492 PolarHBondContact O-N 3.37Å; L492-Y494 PolarHBondContact O-N 2.93Å; L492-I495 PolarHBondContact O-N 2.82Å; L492-F496 WeakPolarHBondContact O-CD2 3.3Å; L492-F496 PolarHBondContact O-N 3.37Å
493A98.4Very high97.6Very high1 Ų152 Ų521%0.00825%0.248CC..Hα-helixtrans-57-47.9178.300000112.1F353 P355 M418 R489 M490 F496 A497 V512F353-A493 HydrophobicContact CD1-CB 4.02Å; F353-A493 VanDerWaalsContact CE1-CA 3.45Å; F353-A493 HydrophobicContact CE1-CB 3.57Å; P355-A493 HydrophobicContact CG-CB 3.99Å; M418-A493 HydrophobicContact CE-CB 4.07Å; R489-A493 WeakPolarHBondContact O-CB 3.37Å; R489-A493 PolarHBondContact O-N 2.94Å; M490-A493 WeakPolarHBondContact O-CB 3.26Å; M490-A493 PolarHBondContact O-N 3.26Å; M490-A493 VanDerWaalsContact O-N 3.1Å; A493-F496 PolarHBondContact O-N 3.38Å; A493-A497 VanDerWaalsContact O-CB 3.23Å; A493-A497 WeakPolarHBondContact O-CB 3.32Å; A493-A497 PolarHBondContact O-N 2.89Å; A493-V512 HydrophobicContact CB-CG1 4.37Å
494Y98.6Very high97.4Very high61 Ų6153.5 Ų53.524%0.23925%0.251CS..Hα-helixtrans-67.2-36.7177.6-81.2-79000113.3M490 L492 A497 Q498 V512 A534 D535M490-Y494 HydrophobicContact CG-CD2 4.19Å; M490-Y494 HydrophobicContact CG-CE2 4.14Å; M490-Y494 WeakPolarHBondContact O-CD2 3.43Å; M490-Y494 PolarHBondContact O-N 3.04Å; M490-Y494 VanDerWaalsContact O-N 3.16Å; M490-Y494 HydrophobicContact SD-CD2 3.69Å; M490-Y494 HydrophobicContact SD-CE2 3.93Å; L492-Y494 PolarHBondContact O-N 2.93Å; Y494-A497 PolarHBondContact O-N 2.76Å; Y494-Q498 WeakPolarHBondContact O-CB 3.47Å; Y494-Q498 WeakPolarHBondContact O-CG 3.49Å; Y494-Q498 PolarHBondContact O-N 2.77Å; Y494-V512 HydrophobicContact CD1-CG2 3.68Å; Y494-V512 HydrophobicContact CD2-CG2 4.43Å; Y494-V512 HydrophobicContact CE1-CB 4.22Å; Y494-V512 HydrophobicContact CE1-CG2 3.6Å; Y494-V512 HydrophobicContact CE2-CG2 4.37Å; Y494-V512 HydrophobicContact CG-CG2 4.11Å; Y494-A534 VanDerWaalsContact OH-CA 3.23Å; Y494-A534 WeakPolarHBondContact OH-CA 3.44Å; Y494-D535 VanDerWaalsContact CE1-OD1 3.32Å; Y494-D535 WeakPolarHBondContact CE1-OD1 3.49Å; Y494-D535 PolarHBondContact OH-N 2.85Å; Y494-D535 PolarHBondContact OH-OD1 3.06Å; Y494-D535 VanDerWaalsContact OH-OD1 3.05Å
495I97.7Very high97.2Very high79 Ų7959.4 Ų59.441%0.40528%0.283SS..Hα-helixtrans-61.8-47.7174.6-69166.5000110.8V491 L492 L499V491-I495 HydrophobicContact CG1-CD1 3.98Å; V491-I495 VanDerWaalsContact O-CG1 3.32Å; V491-I495 WeakPolarHBondContact O-CG1 3.29Å; V491-I495 PolarHBondContact O-N 3.1Å; L492-I495 PolarHBondContact O-N 2.82Å; I495-L499 HydrophobicContact CG2-CD1 4.17Å; I495-L499 WeakPolarHBondContact O-CB 3.06Å; I495-L499 WeakPolarHBondContact O-CG 3.4Å; I495-L499 PolarHBondContact O-N 2.89Å; I495-L499 VanDerWaalsContact O-N 3.08Å
496F98Very high97Very high56 Ų5661 Ų6125%0.24629%0.289CS..Hα-helixtrans-68.4-36.2176.7-81.1-77.6000112.2F353 I443 I445 L492 A493 Q498 L499 T500F353-F496 HydrophobicContact CD2-CB 3.92Å; F353-F496 HydrophobicContact CE2-CB 3.3Å; F353-F496 HydrophobicContact CE2-CG 4.14Å; F353-F496 HydrophobicContact CZ-CB 3.71Å; F353-F496 HydrophobicContact CZ-CG 4.4Å; I443-F496 HydrophobicContact CD1-CD1 3.93Å; I443-F496 HydrophobicContact CD1-CE1 4.13Å; I443-F496 HydrophobicContact CG2-CE1 4.43Å; I445-F496 HydrophobicContact CD1-CD2 4.48Å; I445-F496 HydrophobicContact CD1-CE2 3.76Å; I445-F496 HydrophobicContact CG2-CE2 4.33Å; I445-F496 HydrophobicContact CG2-CZ 4.08Å; L492-F496 WeakPolarHBondContact O-CD2 3.3Å; L492-F496 PolarHBondContact O-N 3.37Å; A493-F496 PolarHBondContact O-N 3.38Å; F496-Q498 VanDerWaalsContact C-N 3.34Å; F496-Q498 PolarHBondContact O-N 2.99Å; F496-L499 PolarHBondContact O-N 2.78Å; F496-T500 WeakPolarHBondContact O-CB 3.3Å; F496-T500 PolarHBondContact O-N 2.67Å; F496-T500 PolarHBondContact O-OG1 3.13Å
497A98.3Very high96.7Very high3 Ų364.3 Ų64.33%0.02531%0.311CS..Hα-helixtrans-63.2-39.1177.200000112.7F353 A493 Y494 L510 V512F353-A497 HydrophobicContact CB-CB 3.77Å; F353-A497 HydrophobicContact CG-CB 4.11Å; A493-A497 VanDerWaalsContact O-CB 3.23Å; A493-A497 WeakPolarHBondContact O-CB 3.32Å; A493-A497 PolarHBondContact O-N 2.89Å; Y494-A497 PolarHBondContact O-N 2.76Å; A497-L510 HydrophobicContact CB-CB 4.21Å; A497-L510 WeakPolarHBondContact O-CB 3.36Å; A497-L510 PolarHBondContact O-N 2.73Å; A497-V512 HydrophobicContact CB-CG2 3.56Å
498Q98.2Very high96.4Very high131 Ų13162.1 Ų62.161%0.61232%0.318SS*.Hα-helixtrans-75.5-33.3176.9-70.5175.9-1.200113.4Y494 F496Y494-Q498 WeakPolarHBondContact O-CB 3.47Å; Y494-Q498 WeakPolarHBondContact O-CG 3.49Å; Y494-Q498 PolarHBondContact O-N 2.77Å; F496-Q498 VanDerWaalsContact C-N 3.34Å; F496-Q498 PolarHBondContact O-N 2.99Å
499L98.1Very high96.4Very high83 Ų8362.2 Ų62.244%0.43532%0.322SS..Hα-helixtrans-110.2-15.7-168.4-59.3-179.6000115.8I495 F496 L501 W502 V503I495-L499 HydrophobicContact CG2-CD1 4.17Å; I495-L499 WeakPolarHBondContact O-CB 3.06Å; I495-L499 WeakPolarHBondContact O-CG 3.4Å; I495-L499 PolarHBondContact O-N 2.89Å; I495-L499 VanDerWaalsContact O-N 3.08Å; F496-L499 PolarHBondContact O-N 2.78Å; L499-L501 PolarHBondContact O-N 3.45Å; L499-W502 WeakPolarHBondContact O-CB 3.12Å; L499-W502 PolarHBondContact O-N 3.46Å; L499-V503 WeakPolarHBondContact O-CG2 3.29Å; L499-V503 PolarHBondContact O-N 3.41Å
500T97.5Very high96.4Very high7 Ų761 Ų614%0.04332%0.318CS..Hα-helixtrans-67-34.8-175.1-57.50000112.7V414 Y441 I443 F496 V503 R504V414-T500 HydrophobicContact CG1-CG2 4.27Å; V414-T500 HydrophobicContact CG2-CG2 3.86Å; Y441-T500 HydrophobicContact CD1-CG2 4.32Å; Y441-T500 HydrophobicContact CE1-CG2 4.09Å; I443-T500 HydrophobicContact CD1-CG2 4.43Å; F496-T500 WeakPolarHBondContact O-CB 3.3Å; F496-T500 PolarHBondContact O-N 2.67Å; F496-T500 PolarHBondContact O-OG1 3.13Å; T500-V503 PolarHBondContact O-N 3.14Å; T500-R504 HydrophobicContact CG2-CG 4.47Å; T500-R504 WeakPolarHBondContact O-CB 3.46Å; T500-R504 WeakPolarHBondContact O-CG 3.31Å; T500-R504 PolarHBondContact O-N 2.76Å
501L96.1Very high96.4Very high1 Ų160.1 Ų60.11%0.00531%0.314CS..Hα-helixtrans-69-39.6174.7-68.8-175.4000111.9L499 V503 R504 N505 R506 G509 L510L499-L501 PolarHBondContact O-N 3.45Å; L501-V503 PolarHBondContact O-N 2.76Å; L501-R504 CarbonylContact O-C 3.54Å; L501-R504 VanDerWaalsContact O-C 3.25Å; L501-R504 WeakPolarHBondContact O-CA 3.29Å; L501-R504 PolarHBondContact O-N 3.34Å; L501-N505 PolarHBondContact O-N 2.84Å; L501-R506 CarbonylContact C-O 3.27Å; L501-R506 HydrophobicContact CB-CB 4.24Å; L501-R506 HydrophobicContact CD2-CB 4.23Å; L501-R506 PolarHBondContact O-N 3.19Å; L501-G509 WeakPolarHBondContact CD1-O 3.29Å; L501-L510 HydrophobicContact CD1-CD2 3.73Å; L501-L510 HydrophobicContact CD1-CG 4.15Å; L501-L510 HydrophobicContact CD2-CD2 3.99Å; L501-L510 HydrophobicContact CG-CD2 3.77Å; L501-L510 HydrophobicContact CG-CG 3.97Å
502W96.8Very high96.4Very high190 Ų19056.6 Ų56.672%0.7229%0.292SS*.Hα-helixtrans-58.4-46.5171.8171.976.4000112L499 R504 N505L499-W502 WeakPolarHBondContact O-CB 3.12Å; L499-W502 PolarHBondContact O-N 3.46Å; W502-R504 PolarHBondContact O-N 2.99Å; W502-N505 PolarHBondContact O-N 3.49Å
503V95.1Very high96.4Very high102 Ų10254.9 Ų54.962%0.61828%0.283SS*.Hα-helixtrans-61-32.7173.7174.20000112.2L499 T500 L501 N505L499-V503 WeakPolarHBondContact O-CG2 3.29Å; L499-V503 PolarHBondContact O-N 3.41Å; T500-V503 PolarHBondContact O-N 3.14Å; L501-V503 PolarHBondContact O-N 2.76Å; V503-N505 VanDerWaalsContact C-N 3.31Å
504R93.1Very high96.4Very high67 Ų6754.8 Ų54.825%0.25328%0.283SS..THydrogen-bonded Turntrans-8912.3175.5-64.2-179.580.3-173.16.9113.6N410 T500 L501 W502 R506N410-R504 PolarHBondContact O-NH1 2.85Å; N410-R504 PolarHBondContact O-NH2 2.94Å; N410-R504 PolarHBondContact OD1-NH2 2.75Å; T500-R504 HydrophobicContact CG2-CG 4.47Å; T500-R504 WeakPolarHBondContact O-CB 3.46Å; T500-R504 WeakPolarHBondContact O-CG 3.31Å; T500-R504 PolarHBondContact O-N 2.76Å; L501-R504 CarbonylContact O-C 3.54Å; L501-R504 VanDerWaalsContact O-C 3.25Å; L501-R504 WeakPolarHBondContact O-CA 3.29Å; L501-R504 PolarHBondContact O-N 3.34Å; W502-R504 PolarHBondContact O-N 2.99Å; R504-R506 VanDerWaalsContact C-N 3.32Å; R504-R506 PolarHBondContact O-N 2.91Å
505N93.1Very high96.4Very high155 Ų15553 Ų5383%0.82928%0.279SS*.THydrogen-bonded Turntrans50.244.3-178.1-164.664.6000114.1L501 W502 V503L501-N505 PolarHBondContact O-N 2.84Å; W502-N505 PolarHBondContact O-N 3.49Å; V503-N505 VanDerWaalsContact C-N 3.31Å
506R92.6Very high96.4Very high37 Ų3749.5 Ų49.514%0.1426%0.262CS..  trans-119.5148.5170.8-81.2-176.363.1-134.2-11.4110.8G350 L394 L395 R411 L501 R504G350-R506 PolarHBondContact O-NH1 3.4Å; G350-R506 PolarHBondContact O-NH2 3.05Å; L394-R506 PolarHBondContact O-NH2 3.26Å; L394-R506 VanDerWaalsContact O-NH2 3.08Å; L395-R506 PolarHBondContact O-NE 3.33Å; R411-R506 PolarHBondContact O-NH1 3.22Å; L501-R506 CarbonylContact C-O 3.27Å; L501-R506 HydrophobicContact CB-CB 4.24Å; L501-R506 HydrophobicContact CD2-CB 4.23Å; L501-R506 PolarHBondContact O-N 3.19Å; R504-R506 VanDerWaalsContact C-N 3.32Å; R504-R506 PolarHBondContact O-N 2.91Å
507P91.4Very high96.3Very high82 Ų8246.9 Ų46.953%0.53225%0.251SS..SBendtrans-73.7167.1174.232.9-36.1000112.1A396A396-P507 HydrophobicContact CB-CG 3.66Å
508G91.7Very high96.3Very high49 Ų4946.7 Ų46.751%0.50525%0.249SC..SBendtrans82.2175.5176.200000114.6
509G96.3Very high96.3Very high16 Ų1640.5 Ų40.517%0.16522%0.22CC..  trans-104.7-174.6169.200000112Q349 G350 L501Q349-G509 PolarHBondContact OE1-O 2.97Å; G350-G509 PolarHBondContact N-O 2.85Å; L501-G509 WeakPolarHBondContact CD1-O 3.29Å
510L98.5Very high96.1Very high9 Ų937.5 Ų37.55%0.04720%0.204CC..  trans-113.9139.8170.6-58.7170.3000109.5G351 F353 V414 A497 L501G351-L510 VanDerWaalsContact C-CD2 3.45Å; G351-L510 WeakPolarHBondContact O-CA 3.16Å; F353-L510 HydrophobicContact CB-CB 3.96Å; F353-L510 HydrophobicContact CB-CD1 4.07Å; F353-L510 HydrophobicContact CD2-CD1 4.43Å; V414-L510 HydrophobicContact CB-CD1 3.98Å; V414-L510 HydrophobicContact CG2-CD1 3.58Å; A497-L510 HydrophobicContact CB-CB 4.21Å; A497-L510 WeakPolarHBondContact O-CB 3.36Å; A497-L510 PolarHBondContact O-N 2.73Å; L501-L510 HydrophobicContact CD1-CD2 3.73Å; L501-L510 HydrophobicContact CD1-CG 4.15Å; L501-L510 HydrophobicContact CD2-CD2 3.99Å; L501-L510 HydrophobicContact CG-CD2 3.77Å; L501-L510 HydrophobicContact CG-CG 3.97Å
511L98.6Very high96.1Very high18 Ų1837.3 Ų37.39%0.09420%0.203CC..EExtended strand (participates in β ladder)trans-72.7125.9168.2-69.4171000109.6Y343 L344 Q349 G351 F352 F353 L513 D535 I536Y343-L511 HydrophobicContact CD1-CD1 4.06Å; L344-L511 HydrophobicContact CD1-CD1 4.4Å; Q349-L511 HydrophobicContact CB-CD1 4.47Å; Q349-L511 HydrophobicContact CB-CG 3.98Å; Q349-L511 HydrophobicContact CG-CD2 3.89Å; Q349-L511 HydrophobicContact CG-CG 3.84Å; G351-L511 PolarHBondContact O-N 3.31Å; F352-L511 CarbonylContact C-O 3.52Å; F352-L511 WeakPolarHBondContact CA-O 3.49Å; F352-L511 HydrophobicContact CD1-CB 3.87Å; F352-L511 HydrophobicContact CD1-CD1 4.42Å; F352-L511 HydrophobicContact CE1-CB 4.19Å; F352-L511 HydrophobicContact CE1-CD1 3.93Å; F353-L511 PolarHBondContact N-O 2.88Å; L511-L513 PolarHBondContact O-N 3.38Å; L511-D535 HydrophobicContact CD2-CB 4.17Å; L511-I536 HydrophobicContact CD1-CD1 4.12Å
512V98.8Very high96.1Very high4 Ų437.5 Ų37.52%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-72123172.2-174.30000108.9F353 A493 Y494 A497 A534 D535 I536F353-V512 WeakPolarHBondContact O-CA 3.35Å; A493-V512 HydrophobicContact CB-CG1 4.37Å; Y494-V512 HydrophobicContact CD1-CG2 3.68Å; Y494-V512 HydrophobicContact CD2-CG2 4.43Å; Y494-V512 HydrophobicContact CE1-CB 4.22Å; Y494-V512 HydrophobicContact CE1-CG2 3.6Å; Y494-V512 HydrophobicContact CE2-CG2 4.37Å; Y494-V512 HydrophobicContact CG-CG2 4.11Å; A497-V512 HydrophobicContact CB-CG2 3.56Å; V512-A534 HydrophobicContact CB-CB 4.22Å; V512-A534 HydrophobicContact CG1-CB 3.77Å; V512-D535 PolarHBondContact N-OD2 3.48Å; V512-D535 PolarHBondContact O-N 3.21Å; V512-I536 PolarHBondContact O-N 3.45Å
513L98.8Very high96.1Very high1 Ų129.3 Ų29.31%0.00517%0.173CC..BIsolated β-bridgetrans-92.3125.8175.5-66.3-174.4000111.3L340 F352 F353 L354 V369 L511 I536L340-L513 HydrophobicContact CD2-CD2 4.03Å; F352-L513 HydrophobicContact CB-CD1 3.8Å; F352-L513 HydrophobicContact CB-CG 4.01Å; F352-L513 HydrophobicContact CD1-CD1 3.93Å; F352-L513 HydrophobicContact CD1-CD2 3.53Å; F352-L513 HydrophobicContact CD1-CG 3.75Å; F352-L513 HydrophobicContact CD2-CD1 4.38Å; F352-L513 HydrophobicContact CE1-CD2 3.85Å; F352-L513 HydrophobicContact CG-CD1 3.79Å; F352-L513 HydrophobicContact CG-CD2 4.26Å; F352-L513 HydrophobicContact CG-CG 4.05Å; F353-L513 PolarHBondContact O-N 2.97Å; L354-L513 HydrophobicContact CB-CB 4.39Å; L354-L513 HydrophobicContact CD1-CB 3.9Å; V369-L513 HydrophobicContact CG2-CD1 3.52Å; L511-L513 PolarHBondContact O-N 3.38Å; L513-I536 WeakPolarHBondContact CA-O 3.44Å; L513-I536 HydrophobicContact CD2-CD1 4.07Å; L513-I536 HydrophobicContact CD2-CG1 3.71Å
514G98.1Very high96Very high0 Ų024.6 Ų24.60%015%0.145CC..PPolyproline II helixtrans-78.2161.6168.300000112.9S365 A534 I536 N537S365-G514 PolarHBondContact OG-O 3.43Å; S365-G514 VanDerWaalsContact OG-O 3.09Å; G514-A534 VanDerWaalsContact N-CB 3.35Å; G514-I536 PolarHBondContact N-O 2.86Å; G514-N537 PolarHBondContact O-OD1 3.03Å
515S98.1Very high96.1Very high23 Ų2323.9 Ų23.916%0.16114%0.143CC..  trans-14326.6177.3-62.10000114.1D361 S362 S365D361-S515 VanDerWaalsContact CB-O 3.23Å; D361-S515 WeakPolarHBondContact CB-O 3.4Å; S362-S515 WeakPolarHBondContact CA-OG 3.31Å; S365-S515 WeakPolarHBondContact CB-OG 3.38Å; S365-S515 PolarHBondContact OG-OG 2.85Å
516A97.1Very high96.2Very high6 Ų617.8 Ų17.85%0.0511%0.11CC..  trans-76.8133.816600000109.1L526 N537 G540A516-L526 HydrophobicContact CB-CD2 4.48Å; A516-N537 PolarHBondContact O-ND2 3.05Å; A516-G540 WeakPolarHBondContact O-CA 3.49Å; A516-G540 PolarHBondContact O-N 3.09Å
517N97.3Very high96.4Very high0 Ų016.6 Ų16.60%011%0.107CC..  trans-89175.1174.361.863.5000112.3D361 D519 E520 S521 K544 L547D361-N517 PolarHBondContact OD1-ND2 2.88Å; N517-D519 VanDerWaalsContact C-N 3.33Å; N517-D519 PolarHBondContact O-N 2.87Å; N517-D519 PolarHBondContact OD1-N 2.89Å; N517-D519 VanDerWaalsContact OD1-N 3.14Å; N517-E520 PolarHBondContact ND2-OE1 2.84Å; N517-E520 PolarHBondContact ND2-OE2 2.91Å; N517-E520 VanDerWaalsContact ND2-OE2 3.15Å; N517-E520 PolarHBondContact OD1-N 3.36Å; N517-S521 VanDerWaalsContact O-CB 3.3Å; N517-S521 WeakPolarHBondContact O-CB 3.36Å; N517-S521 PolarHBondContact O-N 3.15Å; N517-S521 VanDerWaalsContact O-N 3.13Å; N517-S521 PolarHBondContact O-OG 2.99Å; N517-K544 WeakPolarHBondContact ND2-CD 3.13Å; N517-L547 HydrophobicContact CB-CD1 3.71Å
518V97.5Very high96.7Very high0 Ų014.9 Ų14.90%09%0.091CC..Hα-helixtrans-67.1-31.5-174.5820000113.2L522 G540 I542 Y663 P665V518-L522 VanDerWaalsContact O-CB 3.32Å; V518-L522 WeakPolarHBondContact O-CB 3.35Å; V518-L522 PolarHBondContact O-N 3.13Å; V518-G540 WeakPolarHBondContact CA-O 3.38Å; V518-G540 WeakPolarHBondContact CB-O 3.28Å; V518-I542 WeakPolarHBondContact CB-O 3.35Å; V518-I542 VanDerWaalsContact CG1-C 3.49Å; V518-I542 VanDerWaalsContact CG1-O 3.26Å; V518-I542 WeakPolarHBondContact CG1-O 3.23Å; V518-I542 PolarHBondContact N-O 2.78Å; V518-Y663 HydrophobicContact CG1-CE1 4.44Å; V518-Y663 HydrophobicContact CG1-CE2 3.73Å; V518-Y663 WeakPolarHBondContact CG1-OH 3.34Å; V518-Y663 HydrophobicContact CG2-CE2 4.44Å; V518-P665 VanDerWaalsContact CG2-CD 3.42Å; V518-P665 HydrophobicContact CG2-CG 4.44Å
519D97Very high97Very high0 Ų017.8 Ų17.80%09%0.088CC..Hα-helixtrans-79.3-44.8-174.6-54.6-63.1000111.1N517 S521 L522 R523 S543 K544 Y596 L599 S600 Y663N517-D519 VanDerWaalsContact C-N 3.33Å; N517-D519 PolarHBondContact O-N 2.87Å; N517-D519 PolarHBondContact OD1-N 2.89Å; N517-D519 VanDerWaalsContact OD1-N 3.14Å; D519-S521 VanDerWaalsContact C-N 3.3Å; D519-S521 PolarHBondContact O-N 3.46Å; D519-L522 PolarHBondContact O-N 3.45Å; D519-R523 VanDerWaalsContact O-CB 3.26Å; D519-R523 WeakPolarHBondContact O-CB 3.4Å; D519-R523 PolarHBondContact O-N 2.92Å; D519-S543 WeakPolarHBondContact OD2-CA 3.32Å; D519-S543 WeakPolarHBondContact OD2-CB 3.43Å; D519-K544 PolarHBondContact OD2-N 2.93Å; D519-Y596 HydrophobicContact CB-CD1 4.18Å; D519-L599 HydrophobicContact CB-CB 4.09Å; D519-S600 VanDerWaalsContact CG-OG 3.32Å; D519-S600 WeakPolarHBondContact OD1-CA 3.39Å; D519-S600 PolarHBondContact OD1-OG 2.92Å; D519-S600 PolarHBondContact OD2-OG 3.4Å; D519-Y663 PolarHBondContact OD1-OH 3.2Å
520E95Very high97Very high21 Ų2118 Ų1810%0.0989%0.085CC..Hα-helixtrans-58.3-42.6169.4-86.9153.4-143.200111.8N517 R523 G524 Y525 K544 Y596N517-E520 PolarHBondContact ND2-OE1 2.84Å; N517-E520 PolarHBondContact ND2-OE2 2.91Å; N517-E520 VanDerWaalsContact ND2-OE2 3.15Å; N517-E520 PolarHBondContact OD1-N 3.36Å; E520-R523 CarbonylContact O-C 3.57Å; E520-R523 PolarHBondContact O-N 3.28Å; E520-G524 CarbonylContact O-C 3.55Å; E520-G524 VanDerWaalsContact O-CA 3.29Å; E520-G524 WeakPolarHBondContact O-CA 3.5Å; E520-G524 PolarHBondContact O-N 3.41Å; E520-Y525 HydrophobicContact CG-CD1 4.35Å; E520-Y525 PolarHBondContact O-N 3.36Å; E520-K544 IonicContact OE1-NZ 2.66Å; E520-K544 PolarHBondContact OE1-NZ 2.95Å; E520-Y596 HydrophobicContact CG-CE1 4.13Å; E520-Y596 WeakPolarHBondContact OE1-CE1 3.29Å; E520-Y596 PolarHBondContact OE1-OH 3.3Å
521S96.7Very high96.9Very high2 Ų219.1 Ų19.11%0.0149%0.093CC..Hα-helixtrans-62.2-47.3177.3-59.90000111.1N517 D519 G524 L654N517-S521 VanDerWaalsContact O-CB 3.3Å; N517-S521 WeakPolarHBondContact O-CB 3.36Å; N517-S521 PolarHBondContact O-N 3.15Å; N517-S521 VanDerWaalsContact O-N 3.13Å; N517-S521 PolarHBondContact O-OG 2.99Å; D519-S521 VanDerWaalsContact C-N 3.3Å; D519-S521 PolarHBondContact O-N 3.46Å; S521-G524 PolarHBondContact O-N 2.87Å; S521-L654 WeakPolarHBondContact OG-CD2 3.4Å
522L97Very high96.7Very high5 Ų518.6 Ų18.63%0.0269%0.091CC..Hα-helixtrans-62-44.2177.2171.263.8000112.5V518 D519 G524 F640 Y644 P665V518-L522 VanDerWaalsContact O-CB 3.32Å; V518-L522 WeakPolarHBondContact O-CB 3.35Å; V518-L522 PolarHBondContact O-N 3.13Å; D519-L522 PolarHBondContact O-N 3.45Å; L522-G524 PolarHBondContact O-N 3.33Å; L522-F640 HydrophobicContact CD1-CZ 4.2Å; L522-F640 HydrophobicContact CD2-CE2 4.14Å; L522-F640 HydrophobicContact CD2-CZ 4.08Å; L522-F640 HydrophobicContact CG-CE2 4.15Å; L522-F640 HydrophobicContact CG-CZ 4.15Å; L522-Y644 HydrophobicContact CD1-CD2 4.14Å; L522-Y644 HydrophobicContact CD1-CE2 4.46Å; L522-P665 HydrophobicContact CB-CB 4.12Å; L522-P665 HydrophobicContact CB-CG 4.11Å; L522-P665 HydrophobicContact CD1-CB 4.15Å
523R95.4Very high96.4Very high18 Ų1819.4 Ų19.47%0.06810%0.097CC..Hα-helixtrans-74.9-15.6177.4179.351.9-177.467.47.3112.9D519 E520 Y525 M592 L599 C643D519-R523 VanDerWaalsContact O-CB 3.26Å; D519-R523 WeakPolarHBondContact O-CB 3.4Å; D519-R523 PolarHBondContact O-N 2.92Å; E520-R523 CarbonylContact O-C 3.57Å; E520-R523 PolarHBondContact O-N 3.28Å; R523-Y525 VanDerWaalsContact C-N 3.33Å; R523-M592 HydrophobicContact CG-CG 4.3Å; R523-M592 HydrophobicContact CG-SD 3.82Å; R523-M592 PolarHBondContact NH2-O 3.31Å; R523-L599 HydrophobicContact CB-CD1 4.16Å; R523-L599 HydrophobicContact CB-CD2 3.96Å; R523-L599 HydrophobicContact CG-CD1 4.23Å; R523-L599 HydrophobicContact CG-CD2 4Å; R523-C643 VanDerWaalsContact CZ-CB 3.49Å; R523-C643 PolarHBondContact NH2-SG 3.02Å
524G94.8Very high96.4Very high4 Ų419.9 Ų19.94%0.04110%0.101CC..THydrogen-bonded Turntrans64.630.8-174.200000114.1E520 S521 L522 L526 K650E520-G524 CarbonylContact O-C 3.55Å; E520-G524 VanDerWaalsContact O-CA 3.29Å; E520-G524 WeakPolarHBondContact O-CA 3.5Å; E520-G524 PolarHBondContact O-N 3.41Å; S521-G524 PolarHBondContact O-N 2.87Å; L522-G524 PolarHBondContact O-N 3.33Å; G524-L526 VanDerWaalsContact C-N 3.3Å; G524-L526 PolarHBondContact O-N 2.86Å; G524-L526 VanDerWaalsContact O-N 3.11Å; G524-K650 PolarHBondContact O-NZ 2.88Å
525Y94.7Very high96.4Very high52 Ų5222.5 Ų22.520%0.20412%0.115CC..  trans-84.869.3-179.3-168.8-107.9000111.2E520 R523 D588 D591 M592E520-Y525 HydrophobicContact CG-CD1 4.35Å; E520-Y525 PolarHBondContact O-N 3.36Å; R523-Y525 VanDerWaalsContact C-N 3.33Å; Y525-D588 HydrophobicContact CE1-CB 3.98Å; Y525-D591 HydrophobicContact CE2-CB 4.21Å; Y525-D591 WeakPolarHBondContact CE2-OD2 3.45Å; Y525-D591 WeakPolarHBondContact OH-CB 3.36Å; Y525-D591 PolarHBondContact OH-OD2 3.25Å; Y525-M592 HydrophobicContact CD1-CG 3.89Å; Y525-M592 HydrophobicContact CD1-SD 3.85Å; Y525-M592 HydrophobicContact CD2-CG 3.47Å; Y525-M592 VanDerWaalsContact CD2-CG 3.47Å; Y525-M592 HydrophobicContact CD2-SD 4.28Å; Y525-M592 HydrophobicContact CE1-CG 4.25Å; Y525-M592 HydrophobicContact CE2-CG 3.86Å; Y525-M592 HydrophobicContact CG-CG 3.49Å; Y525-M592 VanDerWaalsContact CG-CG 3.49Å; Y525-M592 HydrophobicContact CG-SD 3.67Å
526L94.9Very high96.5Very high27 Ų2721.4 Ų21.414%0.14111%0.107CC..SBendtrans-157.7156-179.855.390.5000110.6A516 G524 K650 L654A516-L526 HydrophobicContact CB-CD2 4.48Å; G524-L526 VanDerWaalsContact C-N 3.3Å; G524-L526 PolarHBondContact O-N 2.86Å; G524-L526 VanDerWaalsContact O-N 3.11Å; L526-K650 HydrophobicContact CD1-CB 4.19Å; L526-K650 HydrophobicContact CD1-CD 3.82Å; L526-K650 HydrophobicContact CD1-CG 4.47Å; L526-K650 HydrophobicContact CG-CD 4.33Å; L526-K650 PolarHBondContact O-NZ 3.15Å; L526-L654 HydrophobicContact CD1-CD1 4.47Å; L526-L654 HydrophobicContact CD2-CD1 3.83Å
527T96.5Very high96.5Very high11 Ų1121.1 Ų21.17%0.06711%0.105CC..  trans-81.5128.5172.9-42.50000109.1N483 R487 Y529 D530 S532N483-T527 HydrophobicContact CB-CG2 3.74Å; N483-T527 VanDerWaalsContact OD1-CG2 3.24Å; N483-T527 WeakPolarHBondContact OD1-CG2 3.24Å; N483-T527 PolarHBondContact OD1-OG1 2.97Å; R487-T527 HydrophobicContact CG-CG2 4.33Å; T527-Y529 PolarHBondContact O-N 3.15Å; T527-D530 WeakPolarHBondContact CA-OD2 3.27Å; T527-D530 VanDerWaalsContact CB-CG 3.45Å; T527-D530 WeakPolarHBondContact CB-OD2 3.47Å; T527-D530 PolarHBondContact N-OD2 2.91Å; T527-D530 PolarHBondContact O-N 3.22Å; T527-D530 VanDerWaalsContact O-N 3.1Å; T527-D530 VanDerWaalsContact O-OD1 3.1Å; T527-D530 PolarHBondContact OG1-OD2 2.95Å; T527-S532 PolarHBondContact O-OG 2.85Å
528K97.8Very high96.6Very high47 Ų4721.1 Ų21.120%0.20411%0.105CC..THydrogen-bonded Turntrans-62118172.3-163.3169.9-177169.10109.4R487 H649 K650 V653R487-K528 PolarHBondContact NE-O 3.1Å; R487-K528 PolarHBondContact NH2-O 2.92Å; K528-H649 PolarHBondContact NZ-O 3.01Å; K528-K650 HydrophobicContact CB-CG 4.4Å; K528-V653 HydrophobicContact CD-CG2 4.4Å; K528-V653 HydrophobicContact CG-CG2 4.38Å
529Y97.5Very high96.6Very high109 Ų10921.1 Ų21.143%0.42711%0.105SC..THydrogen-bonded Turntrans7233.3-173.9-43.3-55.8000116.7R487 M490 T527 S533 V653R487-Y529 WeakPolarHBondContact CG-O 3.46Å; M490-Y529 VanDerWaalsContact CE-O 3.28Å; M490-Y529 WeakPolarHBondContact CE-O 3.39Å; T527-Y529 PolarHBondContact O-N 3.15Å; Y529-S533 WeakPolarHBondContact CA-OG 3.48Å; Y529-V653 HydrophobicContact CE1-CB 4.28Å; Y529-V653 HydrophobicContact CE1-CG2 3.7Å
530D96.8Very high96.7Very high22 Ų2221.3 Ų21.312%0.11811%0.106CC..SBendtrans-92.3-163.2156.266.617.5000112S486 T527 S532 S533S486-D530 VanDerWaalsContact CB-CB 3.46Å; S486-D530 WeakPolarHBondContact O-CB 2.92Å; T527-D530 WeakPolarHBondContact CA-OD2 3.27Å; T527-D530 VanDerWaalsContact CB-CG 3.45Å; T527-D530 WeakPolarHBondContact CB-OD2 3.47Å; T527-D530 PolarHBondContact N-OD2 2.91Å; T527-D530 PolarHBondContact O-N 3.22Å; T527-D530 VanDerWaalsContact O-N 3.1Å; T527-D530 VanDerWaalsContact O-OD1 3.1Å; T527-D530 PolarHBondContact OG1-OD2 2.95Å; D530-S532 PolarHBondContact O-N 3Å; D530-S532 WeakPolarHBondContact OD1-CB 3.32Å; D530-S532 PolarHBondContact OD1-N 3.01Å; D530-S532 PolarHBondContact OD1-OG 3.32Å; D530-S533 WeakPolarHBondContact O-CA 3.41Å; D530-S533 VanDerWaalsContact O-CB 3.26Å; D530-S533 WeakPolarHBondContact O-CB 3.43Å; D530-S533 PolarHBondContact O-N 3.34Å; D530-S533 PolarHBondContact O-OG 3.4Å
531C96.8Very high96.8Very high31 Ų3120.3 Ų20.321%0.20910%0.102CC..THydrogen-bonded Turntrans-64.2-1.7178.8-54.70000115.2P355 S533P355-C531 HydrophobicContact CB-CB 4.44Å; P355-C531 HydrophobicContact CG-CB 4.19Å; C531-S533 PolarHBondContact O-N 2.87Å
532S94.3Very high96.9Very high8 Ų820.2 Ų20.26%0.05610%0.101CC..THydrogen-bonded Turntrans-68.2-16.616062.80000112.9T527 D530 L654 T655T527-S532 PolarHBondContact O-OG 2.85Å; D530-S532 PolarHBondContact O-N 3Å; D530-S532 WeakPolarHBondContact OD1-CB 3.32Å; D530-S532 PolarHBondContact OD1-N 3.01Å; D530-S532 PolarHBondContact OD1-OG 3.32Å; S532-L654 WeakPolarHBondContact O-CD1 3.34Å; S532-T655 PolarHBondContact O-OG1 3.34Å
533S93.2Very high96.9Very high20 Ų2020 Ų2014%0.1410%0.1CC..SBendtrans-104104.3174.1-48.10000108.6Y529 D530 C531 T655Y529-S533 WeakPolarHBondContact CA-OG 3.48Å; D530-S533 WeakPolarHBondContact O-CA 3.41Å; D530-S533 VanDerWaalsContact O-CB 3.26Å; D530-S533 WeakPolarHBondContact O-CB 3.43Å; D530-S533 PolarHBondContact O-N 3.34Å; D530-S533 PolarHBondContact O-OG 3.4Å; C531-S533 PolarHBondContact O-N 2.87Å; S533-T655 WeakPolarHBondContact CA-OG1 3.11Å
534A98.3Very high96.9Very high11 Ų1119.2 Ų19.29%0.09110%0.097CC..SBendtrans-143.1-176.2-172.800000108.2Y494 V512 G514 T655Y494-A534 VanDerWaalsContact OH-CA 3.23Å; Y494-A534 WeakPolarHBondContact OH-CA 3.44Å; V512-A534 HydrophobicContact CB-CB 4.22Å; V512-A534 HydrophobicContact CG1-CB 3.77Å; G514-A534 VanDerWaalsContact N-CB 3.35Å; A534-T655 HydrophobicContact CB-CG2 4.11Å; A534-T655 PolarHBondContact N-OG1 2.92Å; A534-T655 WeakPolarHBondContact O-CG2 3.27Å; A534-T655 PolarHBondContact O-OG1 3.35Å
535D98.3Very high96.9Very high56 Ų5623.2 Ų23.230%0.29912%0.116SC..SBendtrans-79.4-46.6-179.5-56-38.5000111Y494 L511 V512Y494-D535 VanDerWaalsContact CE1-OD1 3.32Å; Y494-D535 WeakPolarHBondContact CE1-OD1 3.49Å; Y494-D535 PolarHBondContact OH-N 2.85Å; Y494-D535 PolarHBondContact OH-OD1 3.06Å; Y494-D535 VanDerWaalsContact OH-OD1 3.05Å; L511-D535 HydrophobicContact CD2-CB 4.17Å; V512-D535 PolarHBondContact N-OD2 3.48Å; V512-D535 PolarHBondContact O-N 3.21Å
536I98.5Very high97.1Very high0 Ų021 Ų210%011%0.108CC..BIsolated β-bridgetrans-143157.4175.557.1174.5000111.9W339 L340 Y343 F352 L511 V512 L513 G514 T655 P656W339-I536 HydrophobicContact CH2-CB 3.82Å; W339-I536 HydrophobicContact CH2-CD1 4.41Å; W339-I536 HydrophobicContact CH2-CG2 3.95Å; W339-I536 HydrophobicContact CZ3-CB 4.15Å; W339-I536 HydrophobicContact CZ3-CD1 4.18Å; L340-I536 HydrophobicContact CD2-CD1 3.58Å; L340-I536 HydrophobicContact CD2-CG1 4.45Å; Y343-I536 HydrophobicContact CD1-CD1 3.84Å; Y343-I536 HydrophobicContact CD1-CG2 3.98Å; Y343-I536 HydrophobicContact CD2-CG2 4.27Å; Y343-I536 HydrophobicContact CE1-CD1 4.43Å; Y343-I536 HydrophobicContact CE1-CG2 3.54Å; Y343-I536 HydrophobicContact CE2-CG2 3.89Å; Y343-I536 HydrophobicContact CG-CD1 3.98Å; Y343-I536 HydrophobicContact CG-CG2 4.33Å; F352-I536 HydrophobicContact CE1-CD1 4.17Å; L511-I536 HydrophobicContact CD1-CD1 4.12Å; V512-I536 PolarHBondContact O-N 3.45Å; L513-I536 WeakPolarHBondContact CA-O 3.44Å; L513-I536 HydrophobicContact CD2-CD1 4.07Å; L513-I536 HydrophobicContact CD2-CG1 3.71Å; G514-I536 PolarHBondContact N-O 2.86Å; I536-T655 VanDerWaalsContact CA-CG2 3.48Å; I536-P656 WeakPolarHBondContact CA-O 3.48Å
537N98.6Very high97.2Very high0 Ų019.7 Ų19.70%010%0.101CC..BIsolated β-bridgetrans-133.1110-179.2177.61.2000111.8G514 A516 I539 G540 T655 P656 S657 V658G514-N537 PolarHBondContact O-OD1 3.03Å; A516-N537 PolarHBondContact O-ND2 3.05Å; N537-I539 PolarHBondContact O-N 3.42Å; N537-I539 WeakPolarHBondContact OD1-CG1 3.48Å; N537-I539 PolarHBondContact OD1-N 3.3Å; N537-G540 WeakPolarHBondContact ND2-CA 3.48Å; N537-G540 PolarHBondContact ND2-N 3.47Å; N537-G540 PolarHBondContact OD1-N 3.23Å; N537-T655 HydrophobicContact CB-CG2 3.75Å; N537-P656 PolarHBondContact N-O 3.32Å; N537-S657 WeakPolarHBondContact CB-OG 3.46Å; N537-S657 PolarHBondContact ND2-OG 3.4Å; N537-S657 VanDerWaalsContact O-CA 3.26Å; N537-S657 WeakPolarHBondContact O-CA 3.41Å; N537-V658 PolarHBondContact O-N 2.95Å; N537-V658 VanDerWaalsContact O-N 3.14Å
538P98.5Very high97.3Very high0 Ų021.9 Ų21.90%011%0.108CC..SBendtrans-76.1-3.5-178.731.8-35.9000114.5L340 I368 V658L340-P538 HydrophobicContact CD1-CB 3.96Å; L340-P538 HydrophobicContact CD1-CG 4.21Å; L340-P538 HydrophobicContact CD2-CB 4.16Å; L340-P538 HydrophobicContact CG-CB 4.08Å; I368-P538 HydrophobicContact CD1-CB 4.36Å; I368-P538 HydrophobicContact CG2-CB 4.33Å; P538-V658 VanDerWaalsContact O-CG1 3.23Å; P538-V658 WeakPolarHBondContact O-CG1 3.32Å
539I98.5Very high97.3Very high0 Ų025.2 Ų25.20%012%0.119CC..SBendtrans-127.2-4.1-177.364164.5000115.5D361 I368 N537 G541 I542 L547D361-I539 HydrophobicContact CB-CD1 3.73Å; D361-I539 VanDerWaalsContact O-CD1 3.28Å; D361-I539 WeakPolarHBondContact O-CD1 3.43Å; I368-I539 HydrophobicContact CD1-CG2 3.5Å; I368-I539 VanDerWaalsContact CD1-CG2 3.5Å; N537-I539 PolarHBondContact O-N 3.42Å; N537-I539 WeakPolarHBondContact OD1-CG1 3.48Å; N537-I539 PolarHBondContact OD1-N 3.3Å; I539-G541 PolarHBondContact O-N 3.37Å; I539-I542 HydrophobicContact CB-CD1 4.46Å; I539-I542 HydrophobicContact CG2-CD1 4.3Å; I539-I542 PolarHBondContact O-N 2.98Å; I539-L547 HydrophobicContact CB-CD1 4.27Å; I539-L547 HydrophobicContact CB-CD2 3.95Å; I539-L547 HydrophobicContact CD1-CD1 3.87Å; I539-L547 HydrophobicContact CG2-CD2 3.73Å
540G97.8Very high97.3Very high3 Ų320 Ų203%0.03110%0.099CC..THydrogen-bonded Turntrans-66-10.1179.800000115.3A516 V518 N537A516-G540 WeakPolarHBondContact O-CA 3.49Å; A516-G540 PolarHBondContact O-N 3.09Å; V518-G540 WeakPolarHBondContact CA-O 3.38Å; V518-G540 WeakPolarHBondContact CB-O 3.28Å; N537-G540 WeakPolarHBondContact ND2-CA 3.48Å; N537-G540 PolarHBondContact ND2-N 3.47Å; N537-G540 PolarHBondContact OD1-N 3.23Å
541G97.6Very high97.4Very high0 Ų019 Ų190%09%0.093CC..THydrogen-bonded Turntrans-95.46.216800000115.1I539 V658 E661I539-G541 PolarHBondContact O-N 3.37Å; G541-V658 WeakPolarHBondContact CA-O 3.49Å; G541-E661 WeakPolarHBondContact O-CA 3.46Å; G541-E661 WeakPolarHBondContact O-CB 3.45Å; G541-E661 WeakPolarHBondContact O-CG 3.32Å; G541-E661 PolarHBondContact O-N 3.49Å
542I98.4Very high97.5Very high0 Ų020.5 Ų20.50%010%0.101CC..SBendtrans-121.8145.2-169.9-50.9173.9000110.7I332 P336 V518 I539 D546 L547 A660I332-I542 HydrophobicContact CD1-CG2 3.74Å; I332-I542 HydrophobicContact CG1-CD1 4.12Å; I332-I542 HydrophobicContact CG1-CG2 4.27Å; I332-I542 HydrophobicContact CG2-CD1 3.9Å; P336-I542 HydrophobicContact CG-CD1 4.17Å; V518-I542 WeakPolarHBondContact CB-O 3.35Å; V518-I542 VanDerWaalsContact CG1-C 3.49Å; V518-I542 VanDerWaalsContact CG1-O 3.26Å; V518-I542 WeakPolarHBondContact CG1-O 3.23Å; V518-I542 PolarHBondContact N-O 2.78Å; I539-I542 HydrophobicContact CB-CD1 4.46Å; I539-I542 HydrophobicContact CG2-CD1 4.3Å; I539-I542 PolarHBondContact O-N 2.98Å; I542-D546 HydrophobicContact CG2-CB 4.02Å; I542-L547 HydrophobicContact CB-CD2 3.98Å; I542-L547 HydrophobicContact CB-CG 4.28Å; I542-L547 HydrophobicContact CD1-CD2 4.22Å; I542-L547 HydrophobicContact CG2-CD2 3.7Å; I542-L547 HydrophobicContact CG2-CG 3.89Å; I542-A660 HydrophobicContact CG1-CB 4.15Å
543S97.3Very high97.7Very high0 Ų022.4 Ų22.40%011%0.108CC..  trans-75.6149.9177.9960000113.2D519 M545 D546 L547 Y663D519-S543 WeakPolarHBondContact OD2-CA 3.32Å; D519-S543 WeakPolarHBondContact OD2-CB 3.43Å; S543-M545 PolarHBondContact O-N 3.01Å; S543-M545 PolarHBondContact OG-N 3.16Å; S543-D546 WeakPolarHBondContact CB-OD2 3.48Å; S543-D546 PolarHBondContact O-N 3.48Å; S543-D546 VanDerWaalsContact O-N 3.1Å; S543-D546 PolarHBondContact OG-N 2.86Å; S543-D546 PolarHBondContact OG-OD2 3.12Å; S543-L547 WeakPolarHBondContact O-CG 3.28Å; S543-L547 PolarHBondContact O-N 2.66Å; S543-Y663 WeakPolarHBondContact CB-OH 3.27Å
544K95.7Very high97.9Very high2 Ų221.5 Ų21.51%0.00910%0.101CC..Hα-helixtrans-55.8-35.2174.8-162.387.2164.8-170.10112.1D361 N517 D519 E520 R548 Y596D361-K544 VanDerWaalsContact OD1-CD 3.3Å; D361-K544 WeakPolarHBondContact OD1-CD 3.37Å; D361-K544 WeakPolarHBondContact OD1-CE 3.43Å; D361-K544 IonicContact OD1-NZ 3.65Å; D361-K544 PolarHBondContact OD1-NZ 3.02Å; D361-K544 IonicContact OD2-NZ 2.7Å; D361-K544 PolarHBondContact OD2-NZ 3.49Å; N517-K544 WeakPolarHBondContact ND2-CD 3.13Å; D519-K544 PolarHBondContact OD2-N 2.93Å; E520-K544 IonicContact OE1-NZ 2.66Å; E520-K544 PolarHBondContact OE1-NZ 2.95Å; K544-R548 WeakPolarHBondContact O-CG 3.36Å; K544-R548 PolarHBondContact O-N 3.34Å; K544-Y596 HydrophobicContact CB-CD1 3.37Å; K544-Y596 HydrophobicContact CB-CD2 4.42Å; K544-Y596 HydrophobicContact CB-CE1 3.93Å; K544-Y596 HydrophobicContact CB-CG 3.65Å; K544-Y596 HydrophobicContact CD-CD1 3.86Å; K544-Y596 HydrophobicContact CD-CD2 4.42Å; K544-Y596 HydrophobicContact CD-CE1 3.49Å; K544-Y596 VanDerWaalsContact CD-CE1 3.49Å; K544-Y596 HydrophobicContact CD-CE2 4.12Å; K544-Y596 HydrophobicContact CD-CG 4.31Å; K544-Y596 WeakPolarHBondContact CE-OH 3.44Å; K544-Y596 HydrophobicContact CG-CD1 3.54Å; K544-Y596 HydrophobicContact CG-CD2 3.86Å; K544-Y596 HydrophobicContact CG-CE1 3.72Å; K544-Y596 HydrophobicContact CG-CE2 4.06Å; K544-Y596 HydrophobicContact CG-CG 3.6Å; K544-Y596 PolarHBondContact NZ-OH 2.96Å; K544-Y596 VanDerWaalsContact NZ-OH 3.11Å
545M95.2Very high97.9Very high88 Ų8822.8 Ų22.843%0.43311%0.105SC..Hα-helixtrans-69.8-39.9179.1-66-54.6-5800112S543 R548 R549S543-M545 PolarHBondContact O-N 3.01Å; S543-M545 PolarHBondContact OG-N 3.16Å; M545-R548 PolarHBondContact O-N 2.87Å; M545-R549 WeakPolarHBondContact O-CG 3.28Å; M545-R549 PolarHBondContact O-N 3.47Å; M545-R549 VanDerWaalsContact O-N 3.08Å
546D97.6Very high97.9Very high6 Ų625.5 Ų25.53%0.03212%0.12CC..Hα-helixtrans-77.2-29.9177.6-61-76.6000112.1R207 I332 I542 S543 R549 F550R207-D546 IonicContact CZ-OD1 2.67Å; R207-D546 IonicContact NH2-OD1 3.81Å; R207-D546 PolarHBondContact NH2-OD1 2.88Å; R207-D546 IonicContact NH2-OD2 2.71Å; R207-D546 PolarHBondContact NH2-OD2 2.96Å; I332-D546 HydrophobicContact CD1-CB 3.85Å; I542-D546 HydrophobicContact CG2-CB 4.02Å; S543-D546 WeakPolarHBondContact CB-OD2 3.48Å; S543-D546 PolarHBondContact O-N 3.48Å; S543-D546 VanDerWaalsContact O-N 3.1Å; S543-D546 PolarHBondContact OG-N 2.86Å; S543-D546 PolarHBondContact OG-OD2 3.12Å; D546-R549 PolarHBondContact O-N 3.03Å; D546-F550 VanDerWaalsContact O-CB 3.28Å; D546-F550 WeakPolarHBondContact O-CB 3.42Å; D546-F550 PolarHBondContact O-N 3.33Å
547L98.2Very high97.8Very high0 Ų030.6 Ų30.60%014%0.142CC..Hα-helixtrans-62.5-43.5168.1-66.7176.9000111.5V360 N517 I539 I542 S543 F550 L551V360-L547 HydrophobicContact CG1-CB 4.1Å; N517-L547 HydrophobicContact CB-CD1 3.71Å; I539-L547 HydrophobicContact CB-CD1 4.27Å; I539-L547 HydrophobicContact CB-CD2 3.95Å; I539-L547 HydrophobicContact CD1-CD1 3.87Å; I539-L547 HydrophobicContact CG2-CD2 3.73Å; I542-L547 HydrophobicContact CB-CD2 3.98Å; I542-L547 HydrophobicContact CB-CG 4.28Å; I542-L547 HydrophobicContact CD1-CD2 4.22Å; I542-L547 HydrophobicContact CG2-CD2 3.7Å; I542-L547 HydrophobicContact CG2-CG 3.89Å; S543-L547 WeakPolarHBondContact O-CG 3.28Å; S543-L547 PolarHBondContact O-N 2.66Å; L547-F550 PolarHBondContact O-N 2.87Å; L547-L551 WeakPolarHBondContact O-CG 3.41Å; L547-L551 PolarHBondContact O-N 3.5Å
548R97.4Very high97.8Very high57 Ų5731.5 Ų31.522%0.21515%0.146CC..Hα-helixtrans-58.3-47.5172.2-76.5173.7165.1-79.7-8111.6V360 K544 M545 L551 T552 I567 A569V360-R548 HydrophobicContact CG1-CG 4.11Å; V360-R548 HydrophobicContact CG2-CG 4.29Å; K544-R548 WeakPolarHBondContact O-CG 3.36Å; K544-R548 PolarHBondContact O-N 3.34Å; M545-R548 PolarHBondContact O-N 2.87Å; R548-L551 PolarHBondContact O-N 3.03Å; R548-T552 PolarHBondContact O-N 3.15Å; R548-T552 VanDerWaalsContact O-N 3.09Å; R548-T552 PolarHBondContact O-OG1 2.9Å; R548-I567 PolarHBondContact NH1-O 3.2Å; R548-I567 PolarHBondContact NH2-O 3.28Å; R548-A569 PolarHBondContact NH2-O 3.35Å
549R97.9Very high97.7Very high116 Ų11637.8 Ų37.844%0.43818%0.179SC..Hα-helixtrans-61.2-44176-70.4170.661.31594.7112.9E329 M545 D546 L551 T552 Y553E329-R549 HydrophobicContact CG-CB 4.01Å; E329-R549 IonicContact OE1-CZ 3.58Å; E329-R549 IonicContact OE1-NE 3.43Å; E329-R549 PolarHBondContact OE1-NE 3.41Å; E329-R549 IonicContact OE1-NH2 2.73Å; E329-R549 PolarHBondContact OE1-NH2 3.03Å; E329-R549 IonicContact OE2-NH2 2.77Å; M545-R549 WeakPolarHBondContact O-CG 3.28Å; M545-R549 PolarHBondContact O-N 3.47Å; M545-R549 VanDerWaalsContact O-N 3.08Å; D546-R549 PolarHBondContact O-N 3.03Å; R549-L551 PolarHBondContact O-N 3.37Å; R549-T552 WeakPolarHBondContact O-CB 3.49Å; R549-T552 PolarHBondContact O-N 3.45Å; R549-Y553 PolarHBondContact O-N 3.11Å
550F98.6Very high97.7Very high0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-60.7-42.3176.4163.3-113.9000111.8I332 A333 T367 I368 D546 L547 Y553 A554I332-F550 HydrophobicContact CB-CB 4.38Å; I332-F550 HydrophobicContact CB-CD2 4.18Å; I332-F550 HydrophobicContact CB-CG 4.29Å; I332-F550 HydrophobicContact CD1-CB 4.32Å; I332-F550 HydrophobicContact CG2-CB 3.86Å; I332-F550 HydrophobicContact CG2-CD1 3.83Å; I332-F550 HydrophobicContact CG2-CD2 3.66Å; I332-F550 HydrophobicContact CG2-CE1 4.29Å; I332-F550 HydrophobicContact CG2-CE2 4.15Å; I332-F550 HydrophobicContact CG2-CG 3.48Å; I332-F550 VanDerWaalsContact CG2-CG 3.48Å; I332-F550 HydrophobicContact CG2-CZ 4.43Å; A333-F550 HydrophobicContact CB-CD2 4.31Å; A333-F550 HydrophobicContact CB-CE2 3.81Å; T367-F550 HydrophobicContact CG2-CE1 3.97Å; T367-F550 HydrophobicContact CG2-CE2 4.47Å; T367-F550 HydrophobicContact CG2-CZ 3.63Å; I368-F550 HydrophobicContact CD1-CE1 4.33Å; I368-F550 HydrophobicContact CG1-CE1 3.77Å; I368-F550 HydrophobicContact CG1-CZ 3.71Å; D546-F550 VanDerWaalsContact O-CB 3.28Å; D546-F550 WeakPolarHBondContact O-CB 3.42Å; D546-F550 PolarHBondContact O-N 3.33Å; L547-F550 PolarHBondContact O-N 2.87Å; F550-Y553 PolarHBondContact O-N 3.36Å; F550-A554 HydrophobicContact CE2-CB 4.39Å; F550-A554 VanDerWaalsContact O-CB 3.26Å; F550-A554 WeakPolarHBondContact O-CB 3.24Å; F550-A554 PolarHBondContact O-N 3Å
551L98.6Very high97.7Very high0 Ų041.2 Ų41.20%020%0.201CC..Hα-helixtrans-65.4-36.5174.4-67.6-170.7000112.3V360 T367 L547 R548 R549 A554 K555 L563 I566 I567V360-L551 HydrophobicContact CB-CD1 4.38Å; V360-L551 HydrophobicContact CG1-CD1 3.99Å; T367-L551 HydrophobicContact CG2-CD2 4.45Å; L547-L551 WeakPolarHBondContact O-CG 3.41Å; L547-L551 PolarHBondContact O-N 3.5Å; R548-L551 PolarHBondContact O-N 3.03Å; R549-L551 PolarHBondContact O-N 3.37Å; L551-A554 PolarHBondContact O-N 3.25Å; L551-K555 WeakPolarHBondContact O-CB 3.43Å; L551-K555 PolarHBondContact O-N 3.34Å; L551-L563 HydrophobicContact CB-CD1 4.43Å; L551-L563 HydrophobicContact CD1-CD2 4.33Å; L551-L563 HydrophobicContact CD2-CD1 4.1Å; L551-L563 HydrophobicContact CD2-CD2 3.91Å; L551-I566 HydrophobicContact CD1-CG2 4.28Å; L551-I567 HydrophobicContact CB-CD1 3.79Å; L551-I567 HydrophobicContact CB-CG1 3.87Å; L551-I567 HydrophobicContact CD1-CG1 4.38Å
552T98.4Very high97.7Very high63 Ų6341.6 Ų41.639%0.38720%0.203SC..Hα-helixtrans-61-48.5172.3-530000111.1R548 R549 A554 K555R548-T552 PolarHBondContact O-N 3.15Å; R548-T552 VanDerWaalsContact O-N 3.09Å; R548-T552 PolarHBondContact O-OG1 2.9Å; R549-T552 WeakPolarHBondContact O-CB 3.49Å; R549-T552 PolarHBondContact O-N 3.45Å; T552-A554 PolarHBondContact O-N 3.3Å; T552-K555 WeakPolarHBondContact O-CB 3.31Å; T552-K555 PolarHBondContact O-N 2.64Å
553Y98.5Very high97.7Very high49 Ų4941.6 Ų41.619%0.19220%0.203CC..Hα-helixtrans-59.2-44.2175.1169-90000112.1E329 E330 A333 R549 F550 K555 D556 K557E329-Y553 HydrophobicContact CB-CD1 4.13Å; E329-Y553 HydrophobicContact CB-CD2 4.02Å; E329-Y553 HydrophobicContact CB-CG 3.67Å; E329-Y553 HydrophobicContact CG-CG 4.46Å; E330-Y553 HydrophobicContact CG-CE2 3.81Å; E330-Y553 WeakPolarHBondContact CG-OH 3.33Å; E330-Y553 PolarHBondContact OE1-OH 3.39Å; E330-Y553 VanDerWaalsContact OE1-OH 3.12Å; A333-Y553 HydrophobicContact CB-CE1 3.97Å; R549-Y553 PolarHBondContact O-N 3.11Å; F550-Y553 PolarHBondContact O-N 3.36Å; Y553-K555 PolarHBondContact O-N 2.78Å; Y553-D556 PolarHBondContact O-N 2.71Å; Y553-K557 HydrophobicContact CD1-CB 4.2Å; Y553-K557 HydrophobicContact CE1-CB 3.85Å; Y553-K557 HydrophobicContact CE1-CD 4.39Å; Y553-K557 HydrophobicContact CE1-CG 3.81Å; Y553-K557 HydrophobicContact CE2-CB 4.3Å; Y553-K557 HydrophobicContact CE2-CD 3.98Å; Y553-K557 HydrophobicContact CE2-CG 4.24Å; Y553-K557 WeakPolarHBondContact O-CB 3.16Å; Y553-K557 PolarHBondContact O-N 3.49Å; Y553-K557 VanDerWaalsContact OH-CD 3.27Å; Y553-K557 WeakPolarHBondContact OH-CD 3.3Å; Y553-K557 WeakPolarHBondContact OH-CE 3.35Å; Y553-K557 WeakPolarHBondContact OH-CG 3.49Å; Y553-K557 PolarHBondContact OH-NZ 3.19Å
554A98.4Very high97.7Very high0 Ų046.1 Ų46.10%022%0.224CC..Hα-helixtrans-68.7-32.1-179.100000113.1T367 F550 L551 T552 D556 F558 L563T367-A554 HydrophobicContact CG2-CB 3.52Å; F550-A554 HydrophobicContact CE2-CB 4.39Å; F550-A554 VanDerWaalsContact O-CB 3.26Å; F550-A554 WeakPolarHBondContact O-CB 3.24Å; F550-A554 PolarHBondContact O-N 3Å; L551-A554 PolarHBondContact O-N 3.25Å; T552-A554 PolarHBondContact O-N 3.3Å; A554-D556 VanDerWaalsContact C-N 3.27Å; A554-D556 PolarHBondContact O-N 2.73Å; A554-F558 HydrophobicContact CB-CD2 3.7Å; A554-F558 HydrophobicContact CB-CE2 4.01Å; A554-F558 HydrophobicContact CB-CG 4.45Å; A554-F558 WeakPolarHBondContact O-CA 3.47Å; A554-F558 VanDerWaalsContact O-CB 3.27Å; A554-F558 WeakPolarHBondContact O-CB 3.32Å; A554-F558 PolarHBondContact O-N 3.32Å; A554-L563 HydrophobicContact CB-CD1 3.85Å
555K98.3Very high97.8Very high38 Ų3847.9 Ų47.917%0.16524%0.237CC..Hα-helixtrans-50.6-51173.5-171.7-165.471.4-179.80110.3L551 T552 Y553 N559 L560 L563 E564L551-K555 WeakPolarHBondContact O-CB 3.43Å; L551-K555 PolarHBondContact O-N 3.34Å; T552-K555 WeakPolarHBondContact O-CB 3.31Å; T552-K555 PolarHBondContact O-N 2.64Å; Y553-K555 PolarHBondContact O-N 2.78Å; K555-N559 CarbonylContact O-C 3.5Å; K555-N559 VanDerWaalsContact O-CA 3.27Å; K555-N559 WeakPolarHBondContact O-CA 3.3Å; K555-N559 PolarHBondContact O-N 3.24Å; K555-L560 PolarHBondContact O-N 2.99Å; K555-L563 HydrophobicContact CB-CB 4.23Å; K555-L563 HydrophobicContact CG-CB 4.48Å; K555-E564 HydrophobicContact CD-CB 3.87Å; K555-E564 HydrophobicContact CD-CG 4.4Å; K555-E564 IonicContact NZ-OE1 2.68Å; K555-E564 PolarHBondContact NZ-OE1 3.1Å
556D97.3Very high97.8Very high114 Ų11443.8 Ų43.861%0.6122%0.217SC*.Hα-helixtrans-87-46-174.9-58.3-36.5000112.1Y553 A554 F558Y553-D556 PolarHBondContact O-N 2.71Å; A554-D556 VanDerWaalsContact C-N 3.27Å; A554-D556 PolarHBondContact O-N 2.73Å; D556-F558 PolarHBondContact O-N 3.19Å
557K97.9Very high97.8Very high107 Ų10744.5 Ų44.547%0.46522%0.22SC..Hα-helixtrans-67-34.9-178.1-167.185.3172.2-133.10112.9E330 R374 Y553E330-K557 IonicContact OE1-NZ 2.73Å; E330-K557 PolarHBondContact OE1-NZ 2.96Å; R374-K557 PolarHBondContact NH2-O 2.73Å; Y553-K557 HydrophobicContact CD1-CB 4.2Å; Y553-K557 HydrophobicContact CE1-CB 3.85Å; Y553-K557 HydrophobicContact CE1-CD 4.39Å; Y553-K557 HydrophobicContact CE1-CG 3.81Å; Y553-K557 HydrophobicContact CE2-CB 4.3Å; Y553-K557 HydrophobicContact CE2-CD 3.98Å; Y553-K557 HydrophobicContact CE2-CG 4.24Å; Y553-K557 WeakPolarHBondContact O-CB 3.16Å; Y553-K557 PolarHBondContact O-N 3.49Å; Y553-K557 VanDerWaalsContact OH-CD 3.27Å; Y553-K557 WeakPolarHBondContact OH-CD 3.3Å; Y553-K557 WeakPolarHBondContact OH-CE 3.35Å; Y553-K557 WeakPolarHBondContact OH-CG 3.49Å; Y553-K557 PolarHBondContact OH-NZ 3.19Å
558F97.8Very high97.6Very high19 Ų1950.4 Ų50.48%0.08325%0.252CS..Hα-helixtrans-105.2-4.2-177.5-53.9-23.6000113.7A333 T367 S371 R374 A554 D556 L560A333-F558 HydrophobicContact CB-CZ 4.17Å; T367-F558 HydrophobicContact CG2-CD2 3.9Å; T367-F558 HydrophobicContact CG2-CE2 4Å; S371-F558 WeakPolarHBondContact OG-CZ 3.42Å; R374-F558 PolarHBondContact NH1-O 3.41Å; A554-F558 HydrophobicContact CB-CD2 3.7Å; A554-F558 HydrophobicContact CB-CE2 4.01Å; A554-F558 HydrophobicContact CB-CG 4.45Å; A554-F558 WeakPolarHBondContact O-CA 3.47Å; A554-F558 VanDerWaalsContact O-CB 3.27Å; A554-F558 WeakPolarHBondContact O-CB 3.32Å; A554-F558 PolarHBondContact O-N 3.32Å; D556-F558 PolarHBondContact O-N 3.19Å; F558-L560 HydrophobicContact CB-CD1 3.75Å; F558-L560 HydrophobicContact CB-CG 3.89Å; F558-L560 HydrophobicContact CD2-CD1 4.15Å; F558-L560 HydrophobicContact CG-CD1 4.5Å
559N97.1Very high97.3Very high132 Ų13248.3 Ų48.371%0.70625%0.246SC*.THydrogen-bonded Turntrans60.257.3-175.9-172.244.4000112.6K555 P561K555-N559 CarbonylContact O-C 3.5Å; K555-N559 VanDerWaalsContact O-CA 3.27Å; K555-N559 WeakPolarHBondContact O-CA 3.3Å; K555-N559 PolarHBondContact O-N 3.24Å; N559-P561 VanDerWaalsContact C-CD 3.41Å; N559-P561 VanDerWaalsContact O-CD 3.31Å; N559-P561 WeakPolarHBondContact O-CD 3.49Å
560L97.9Very high96.7Very high3 Ų346 Ų462%0.01625%0.247CC..  trans-119.365.6-176.6-61.8174.5000111.1T367 Q437 L438 K555 F558 V562 L563T367-L560 HydrophobicContact CG2-CD1 4.09Å; Q437-L560 HydrophobicContact CB-CD2 3.86Å; L438-L560 HydrophobicContact CD2-CD1 3.6Å; L438-L560 HydrophobicContact CD2-CD2 3.85Å; L438-L560 HydrophobicContact CD2-CG 4.4Å; K555-L560 PolarHBondContact O-N 2.99Å; F558-L560 HydrophobicContact CB-CD1 3.75Å; F558-L560 HydrophobicContact CB-CG 3.89Å; F558-L560 HydrophobicContact CD2-CD1 4.15Å; F558-L560 HydrophobicContact CG-CD1 4.5Å; L560-V562 PolarHBondContact O-N 3.15Å; L560-L563 HydrophobicContact CB-CD1 3.73Å; L560-L563 HydrophobicContact CB-CG 3.96Å; L560-L563 HydrophobicContact CD1-CD1 4.01Å; L560-L563 WeakPolarHBondContact O-CB 3.3Å; L560-L563 WeakPolarHBondContact O-CG 3.44Å; L560-L563 PolarHBondContact O-N 3.47Å
561P97.8Very high96Very high71 Ų7147.2 Ų47.246%0.46125%0.254SS..THydrogen-bonded Turntrans-62.1-17.8-169.823.9-34.6000114.8N559 L563 E564N559-P561 VanDerWaalsContact C-CD 3.41Å; N559-P561 VanDerWaalsContact O-CD 3.31Å; N559-P561 WeakPolarHBondContact O-CD 3.49Å; P561-L563 PolarHBondContact O-N 3.18Å; P561-E564 PolarHBondContact O-N 2.98Å
562V97.7Very high95.3Very high9 Ų949 Ų496%0.05527%0.265CS..Hα-helixtrans-63-25.4174.371.30000112.9Q433 L434 L560 E564 S565 I566Q433-V562 HydrophobicContact CB-CB 4.47Å; Q433-V562 HydrophobicContact CB-CG2 3.69Å; L434-V562 HydrophobicContact CB-CG1 3.78Å; L434-V562 HydrophobicContact CD1-CG1 3.66Å; L434-V562 HydrophobicContact CG-CG1 4.31Å; L560-V562 PolarHBondContact O-N 3.15Å; V562-E564 PolarHBondContact O-N 2.98Å; V562-S565 PolarHBondContact O-N 2.79Å; V562-S565 VanDerWaalsContact O-N 3.11Å; V562-S565 PolarHBondContact O-OG 2.73Å; V562-I566 HydrophobicContact CG1-CD1 4.26Å; V562-I566 HydrophobicContact CG2-CD1 4.22Å; V562-I566 PolarHBondContact O-N 3.35Å
563L98.1Very high94.4Very high0 Ų048.3 Ų48.30%027%0.266CS..Hα-helixtrans-59.9-30.6-177.9-67.8-178.6000112.5L434 L551 A554 K555 L560 P561 S565 I566 I567L434-L563 HydrophobicContact CD1-CD2 3.73Å; L434-L563 HydrophobicContact CD1-CG 4.34Å; L434-L563 HydrophobicContact CD2-CD2 4.1Å; L551-L563 HydrophobicContact CB-CD1 4.43Å; L551-L563 HydrophobicContact CD1-CD2 4.33Å; L551-L563 HydrophobicContact CD2-CD1 4.1Å; L551-L563 HydrophobicContact CD2-CD2 3.91Å; A554-L563 HydrophobicContact CB-CD1 3.85Å; K555-L563 HydrophobicContact CB-CB 4.23Å; K555-L563 HydrophobicContact CG-CB 4.48Å; L560-L563 HydrophobicContact CB-CD1 3.73Å; L560-L563 HydrophobicContact CB-CG 3.96Å; L560-L563 HydrophobicContact CD1-CD1 4.01Å; L560-L563 WeakPolarHBondContact O-CB 3.3Å; L560-L563 WeakPolarHBondContact O-CG 3.44Å; L560-L563 PolarHBondContact O-N 3.47Å; P561-L563 PolarHBondContact O-N 3.18Å; L563-S565 PolarHBondContact O-N 2.73Å; L563-I566 HydrophobicContact CD2-CD1 4.1Å; L563-I566 WeakPolarHBondContact O-CB 3.4Å; L563-I566 PolarHBondContact O-N 3.04Å; L563-I567 WeakPolarHBondContact O-CD1 3.19Å; L563-I567 VanDerWaalsContact O-CG1 3.23Å; L563-I567 WeakPolarHBondContact O-CG1 3.17Å; L563-I567 PolarHBondContact O-N 2.75Å
564E97.6Very high93.7Very high94 Ų9446.7 Ų46.744%0.43926%0.26SS..Hα-helixtrans-54-54.6172.8-163.5154.7-99.300111K555 P561 V562 I566 I567 D568K555-E564 HydrophobicContact CD-CB 3.87Å; K555-E564 HydrophobicContact CD-CG 4.4Å; K555-E564 IonicContact NZ-OE1 2.68Å; K555-E564 PolarHBondContact NZ-OE1 3.1Å; P561-E564 PolarHBondContact O-N 2.98Å; V562-E564 PolarHBondContact O-N 2.98Å; E564-I566 PolarHBondContact O-N 2.79Å; E564-I567 PolarHBondContact O-N 3.2Å; E564-I567 VanDerWaalsContact O-N 3.08Å; E564-D568 PolarHBondContact O-N 2.89Å
565S96.7Very high93.1Very high40 Ų4047.6 Ų47.628%0.2827%0.265SS..Hα-helixtrans-65.7-12.3177.7740000115.1R430 V562 L563R430-S565 WeakPolarHBondContact CD-O 3.48Å; V562-S565 PolarHBondContact O-N 2.79Å; V562-S565 VanDerWaalsContact O-N 3.11Å; V562-S565 PolarHBondContact O-OG 2.73Å; L563-S565 PolarHBondContact O-N 2.73Å
566I97.1Very high92.5Very high1 Ų146.6 Ų46.61%0.00526%0.261CS..Hα-helixtrans-92.8-35175.5-67164.2000110.7V360 R430 L434 L551 V562 L563 E564V360-I566 HydrophobicContact CG2-CG2 4.41Å; R430-I566 HydrophobicContact CB-CD1 4.3Å; R430-I566 HydrophobicContact CB-CG1 3.88Å; R430-I566 HydrophobicContact CG-CG1 4.05Å; L434-I566 HydrophobicContact CB-CD1 4.19Å; L434-I566 HydrophobicContact CD2-CD1 3.99Å; L551-I566 HydrophobicContact CD1-CG2 4.28Å; V562-I566 HydrophobicContact CG1-CD1 4.26Å; V562-I566 HydrophobicContact CG2-CD1 4.22Å; V562-I566 PolarHBondContact O-N 3.35Å; L563-I566 HydrophobicContact CD2-CD1 4.1Å; L563-I566 WeakPolarHBondContact O-CB 3.4Å; L563-I566 PolarHBondContact O-N 3.04Å; E564-I566 PolarHBondContact O-N 2.79Å
567I96.5Very high91.8Very high22 Ų2242 Ų4211%0.11324%0.238CC..Hα-helixtrans-70.9-46.4174.1-64155.3000109.6R548 L551 L563 E564 A569R548-I567 PolarHBondContact NH1-O 3.2Å; R548-I567 PolarHBondContact NH2-O 3.28Å; L551-I567 HydrophobicContact CB-CD1 3.79Å; L551-I567 HydrophobicContact CB-CG1 3.87Å; L551-I567 HydrophobicContact CD1-CG1 4.38Å; L563-I567 WeakPolarHBondContact O-CD1 3.19Å; L563-I567 VanDerWaalsContact O-CG1 3.23Å; L563-I567 WeakPolarHBondContact O-CG1 3.17Å; L563-I567 PolarHBondContact O-N 2.75Å; E564-I567 PolarHBondContact O-N 3.2Å; E564-I567 VanDerWaalsContact O-N 3.08Å; I567-A569 PolarHBondContact O-N 3.07Å
568D94.4Very high91Very high124 Ų12439.2 Ų39.266%0.66323%0.227SC*.SBendtrans-70.7-13.2-178.1-62.6-21.2000113.1E564E564-D568 PolarHBondContact O-N 2.89Å
569A90.6Very high90Very high12 Ų1242.1 Ų42.110%0.09924%0.241CC..SBendtrans-70.1136.6176.800000111.8R548 I567R548-A569 PolarHBondContact NH2-O 3.35Å; I567-A569 PolarHBondContact O-N 3.07Å
570P85.4Confident88.7Confident68 Ų6846 Ų4644%0.44226%0.255SS..PPolyproline II helixtrans-64.5137.9171.727.5-34.6000110.5T572 L584 T587P570-T572 PolarHBondContact O-N 3.03Å; P570-L584 HydrophobicContact CG-CD1 3.72Å; P570-T587 HydrophobicContact CB-CG2 4.06Å
571P83.3Confident87.4Confident25 Ų2550.6 Ų50.616%0.16228%0.28CS..PPolyproline II helixtrans-71.3127.4-179.530.7-34.8000110.6T587 D588 Y596P571-T587 CarbonylContact O-C 3.35Å; P571-T587 WeakPolarHBondContact O-CA 3.4Å; P571-T587 VanDerWaalsContact O-CB 3.26Å; P571-T587 WeakPolarHBondContact O-CB 3.44Å; P571-D588 VanDerWaalsContact C-OD2 3.28Å; P571-D588 HydrophobicContact CB-CB 4.28Å; P571-D588 WeakPolarHBondContact CB-OD2 3.23Å; P571-D588 PolarHBondContact O-N 3.16Å; P571-Y596 HydrophobicContact CB-CE2 4.37Å; P571-Y596 HydrophobicContact CG-CE2 4.39Å
572T84Confident86.1Confident37 Ų3749.1 Ų49.123%0.22728%0.278CS..  trans-159.3155.3-175.3-170.10000111P570 E574 L584 Q586 D588P570-T572 PolarHBondContact O-N 3.03Å; T572-E574 HydrophobicContact CG2-CG 3.94Å; T572-L584 HydrophobicContact CG2-CD1 3.62Å; T572-L584 HydrophobicContact CG2-CD2 3.78Å; T572-L584 HydrophobicContact CG2-CG 4.26Å; T572-Q586 PolarHBondContact OG1-O 3.47Å; T572-D588 WeakPolarHBondContact CA-OD1 3.3Å; T572-D588 PolarHBondContact N-OD2 3.48Å
573A79.5Confident84.8Confident49 Ų4954.3 Ų54.341%0.40530%0.301SS..  trans-99-13.2179.800000115.4L575 D588A573-L575 VanDerWaalsContact C-N 3.3Å; A573-L575 HydrophobicContact CB-CD1 4.1Å; A573-L575 HydrophobicContact CB-CG 3.87Å; A573-L575 WeakPolarHBondContact O-CD2 3.26Å; A573-L575 WeakPolarHBondContact O-CG 3.43Å; A573-L575 PolarHBondContact O-N 2.94Å; A573-D588 PolarHBondContact N-OD1 3.11Å
574E84.5Confident83.6Confident15 Ų1556.5 Ų56.57%0.0731%0.312CS..  trans49.442.7-177.9-57.3-169.3161.300114.7S423 S424 T427 T572 L584S423-E574 VanDerWaalsContact CA-OE2 3.29Å; S423-E574 WeakPolarHBondContact CA-OE2 3.46Å; S423-E574 WeakPolarHBondContact CB-OE2 3.26Å; S424-E574 WeakPolarHBondContact CB-OE1 3.36Å; S424-E574 PolarHBondContact N-OE1 2.91Å; S424-E574 PolarHBondContact N-OE2 3.17Å; S424-E574 PolarHBondContact OG-OE1 2.85Å; T427-E574 VanDerWaalsContact CG2-CD 3.43Å; T427-E574 HydrophobicContact CG2-CG 4.47Å; T427-E574 WeakPolarHBondContact CG2-OE1 3.34Å; T427-E574 WeakPolarHBondContact CG2-OE2 3.41Å; T427-E574 PolarHBondContact OG1-OE1 3.14Å; T427-E574 PolarHBondContact OG1-OE2 2.81Å; T572-E574 HydrophobicContact CG2-CG 3.94Å; E574-L584 HydrophobicContact CG-CD2 3.97Å
575L85.6Confident82.2Confident19 Ų1955.7 Ų55.710%0.09931%0.309CS..  trans-104.6-20.7-177.9-55-176.4000114.7N422 F468 Q482 Q485 S486 A573N422-L575 PolarHBondContact ND2-O 3.01Å; F468-L575 WeakPolarHBondContact CE1-O 3.38Å; Q482-L575 HydrophobicContact CB-CB 3.87Å; Q482-L575 HydrophobicContact CB-CD1 3.93Å; Q482-L575 HydrophobicContact CG-CB 3.61Å; Q482-L575 HydrophobicContact CG-CD1 4.49Å; Q485-L575 HydrophobicContact CB-CD2 4.47Å; Q485-L575 PolarHBondContact NE2-O 2.8Å; S486-L575 WeakPolarHBondContact OG-CD1 3.34Å; A573-L575 VanDerWaalsContact C-N 3.3Å; A573-L575 HydrophobicContact CB-CD1 4.1Å; A573-L575 HydrophobicContact CB-CG 3.87Å; A573-L575 WeakPolarHBondContact O-CD2 3.26Å; A573-L575 WeakPolarHBondContact O-CG 3.43Å; A573-L575 PolarHBondContact O-N 2.94Å
576E85.9Confident81.3Confident17 Ų1756.8 Ų56.88%0.07931%0.31CS..SBendtrans-95.1154.5168.1-67.6-172.2-144.600109.8N422 F468 R469 N478 Q482 L578N422-E576 WeakPolarHBondContact CB-O 3.45Å; F468-E576 HydrophobicContact CD1-CG 4.3Å; R469-E576 IonicContact CZ-OE1 2.66Å; R469-E576 IonicContact CZ-OE2 3.93Å; R469-E576 IonicContact NH1-OE1 2.92Å; R469-E576 PolarHBondContact NH1-OE1 2.64Å; R469-E576 IonicContact NH1-OE2 3.6Å; R469-E576 PolarHBondContact NH1-OE2 3.21Å; R469-E576 IonicContact NH2-OE1 2.65Å; N478-E576 VanDerWaalsContact ND2-CD 3.26Å; N478-E576 PolarHBondContact ND2-OE1 3.48Å; N478-E576 PolarHBondContact OD1-OE2 2.88Å; Q482-E576 HydrophobicContact CG-CG 4.22Å; Q482-E576 VanDerWaalsContact NE2-CG 3.26Å; Q482-E576 PolarHBondContact NE2-OE1 3.39Å; E576-L578 PolarHBondContact O-N 2.83Å
577P83.6Confident80.7Confident19 Ų1959.1 Ų59.112%0.12332%0.324CS..PPolyproline II helixtrans-51.7137.8172.1-26.934.6000111.9N422 F468N422-P577 WeakPolarHBondContact OD1-CA 3.38Å; F468-P577 HydrophobicContact CB-CG 4.01Å; F468-P577 HydrophobicContact CD2-CG 3.61Å; F468-P577 HydrophobicContact CE2-CG 4.17Å; F468-P577 HydrophobicContact CG-CG 3.81Å
578L80Confident80.1Confident47 Ų4758.7 Ų58.725%0.24632%0.322CS..PPolyproline II helixtrans-61.6159.4173.8-60.2171.9000110.8N422 E576 L584N422-L578 WeakPolarHBondContact O-CD2 3.43Å; N422-L578 WeakPolarHBondContact O-CG 3.28Å; E576-L578 PolarHBondContact O-N 2.83Å; L578-L584 HydrophobicContact CD2-CD2 4.08Å
579Q77.3Confident79.8Confident80 Ų8055.8 Ų55.837%0.37430%0.304SS..PPolyproline II helixtrans-62.8161.8169.7-63-1696100110.7N581 G582 E583 L584Q579-N581 WeakPolarHBondContact CB-OD1 3.26Å; Q579-N581 PolarHBondContact O-N 2.81Å; Q579-N581 VanDerWaalsContact O-N 3.12Å; Q579-G582 WeakPolarHBondContact O-CA 3.27Å; Q579-G582 PolarHBondContact O-N 2.54Å; Q579-E583 PolarHBondContact N-O 3.35Å; Q579-L584 PolarHBondContact NE2-O 2.86Å
580E69.1Low79.6Confident215 Ų21558.1 Ų58.1100%1.00532%0.323SS*.THydrogen-bonded Turntrans-61.7-24.3-175.5-64-170.4157.100114G582E580-G582 VanDerWaalsContact C-N 3.29Å
581N71.9Confident79.5Confident99 Ų9958 Ų5853%0.52932%0.319SS..THydrogen-bonded Turntrans-81.3-3.517362.9-3.6000113.8Q579 E583Q579-N581 WeakPolarHBondContact CB-OD1 3.26Å; Q579-N581 PolarHBondContact O-N 2.81Å; Q579-N581 VanDerWaalsContact O-N 3.12Å; N581-E583 WeakPolarHBondContact ND2-CG 3.37Å; N581-E583 PolarHBondContact ND2-OE2 3.3Å; N581-E583 VanDerWaalsContact OD1-CB 3.28Å; N581-E583 WeakPolarHBondContact OD1-CB 3.1Å; N581-E583 PolarHBondContact OD1-N 2.86Å
582G69.5Low79.8Confident40 Ų4056.9 Ų56.941%0.41231%0.312SS..SBendtrans87.92.5-174.900000114.9Q579 E580Q579-G582 WeakPolarHBondContact O-CA 3.27Å; Q579-G582 PolarHBondContact O-N 2.54Å; E580-G582 VanDerWaalsContact C-N 3.29Å
583E70.6Confident80.2Confident117 Ų11756.9 Ų56.955%0.54732%0.32SS..  trans-80.3165.3-179.6-66.2178.9165.200113.2Q579 N581Q579-E583 PolarHBondContact N-O 3.35Å; N581-E583 WeakPolarHBondContact ND2-CG 3.37Å; N581-E583 PolarHBondContact ND2-OE2 3.3Å; N581-E583 VanDerWaalsContact OD1-CB 3.28Å; N581-E583 WeakPolarHBondContact OD1-CB 3.1Å; N581-E583 PolarHBondContact OD1-N 2.86Å
584L72.5Confident80.8Confident46 Ų4654.8 Ų54.824%0.24130%0.301CS..  trans-70.6136.5-176.4-59.1172.3000111.3P570 T572 E574 L578 Q579P570-L584 HydrophobicContact CG-CD1 3.72Å; T572-L584 HydrophobicContact CG2-CD1 3.62Å; T572-L584 HydrophobicContact CG2-CD2 3.78Å; T572-L584 HydrophobicContact CG2-CG 4.26Å; E574-L584 HydrophobicContact CG-CD2 3.97Å; L578-L584 HydrophobicContact CD2-CD2 4.08Å; Q579-L584 PolarHBondContact NE2-O 2.86Å
585Q68.9Low81.2Confident78 Ų7856.6 Ų56.636%0.36431%0.314SS..SBendtrans-74.6-31.1-178.3-172.158.280.700113.4T470T470-Q585 HydrophobicContact CG2-CG 4.25Å; T470-Q585 VanDerWaalsContact CG2-OE1 3.27Å
586Q77.1Confident81.5Confident63 Ų6355.9 Ų55.929%0.29431%0.31SS..  trans-164.2155.5-175-160.2172.1-19.500110.9T572 A590 D591T572-Q586 PolarHBondContact OG1-O 3.47Å; Q586-A590 HydrophobicContact CG-CB 4.21Å; Q586-D591 PolarHBondContact NE2-OD1 3.49Å
587T84Confident81.9Confident49 Ų4957.7 Ų57.730%0.30133%0.327SS..  trans-103.5156.3171.659.30000112.2P570 P571 E589 A590 D591P570-T587 HydrophobicContact CB-CG2 4.06Å; P571-T587 CarbonylContact O-C 3.35Å; P571-T587 WeakPolarHBondContact O-CA 3.4Å; P571-T587 VanDerWaalsContact O-CB 3.26Å; P571-T587 WeakPolarHBondContact O-CB 3.44Å; T587-E589 VanDerWaalsContact C-N 3.34Å; T587-E589 PolarHBondContact O-N 3.1Å; T587-A590 WeakPolarHBondContact O-CB 3.47Å; T587-A590 PolarHBondContact O-N 3.13Å; T587-A590 VanDerWaalsContact O-N 3.14Å; T587-A590 WeakPolarHBondContact OG1-CB 3.24Å; T587-D591 PolarHBondContact O-N 2.94Å; T587-D591 VanDerWaalsContact O-N 3.12Å
588D85.5Confident82.5Confident14 Ų1458.1 Ų58.18%0.07533%0.328CS..Hα-helixtrans-59.1-42.2-176.1-59.4-25.8000112.2Y525 P571 T572 A573 A590 D591 M592 Y596Y525-D588 HydrophobicContact CE1-CB 3.98Å; P571-D588 VanDerWaalsContact C-OD2 3.28Å; P571-D588 HydrophobicContact CB-CB 4.28Å; P571-D588 WeakPolarHBondContact CB-OD2 3.23Å; P571-D588 PolarHBondContact O-N 3.16Å; T572-D588 WeakPolarHBondContact CA-OD1 3.3Å; T572-D588 PolarHBondContact N-OD2 3.48Å; A573-D588 PolarHBondContact N-OD1 3.11Å; D588-A590 VanDerWaalsContact C-N 3.32Å; D588-A590 PolarHBondContact O-N 3.46Å; D588-D591 PolarHBondContact O-N 2.87Å; D588-M592 HydrophobicContact CB-CE 4.39Å; D588-M592 WeakPolarHBondContact O-CB 3.27Å; D588-M592 WeakPolarHBondContact O-CG 3.37Å; D588-M592 PolarHBondContact O-N 3.4Å; D588-Y596 HydrophobicContact CB-CE2 4.46Å
589E87.8Confident83.2Confident62 Ų6255.9 Ų55.929%0.2932%0.316SS..Hα-helixtrans-65-35.6178.8-62.4-171.7130.200112.3T587 G593 M594 T595 Y596T587-E589 VanDerWaalsContact C-N 3.34Å; T587-E589 PolarHBondContact O-N 3.1Å; E589-G593 WeakPolarHBondContact O-CA 3.39Å; E589-G593 PolarHBondContact O-N 3.35Å; E589-M594 WeakPolarHBondContact CA-O 3.41Å; E589-M594 WeakPolarHBondContact CB-O 3.43Å; E589-M594 PolarHBondContact O-N 3.42Å; E589-M594 VanDerWaalsContact O-N 3.12Å; E589-T595 WeakPolarHBondContact OE1-CA 3.45Å; E589-T595 VanDerWaalsContact OE1-CB 3.27Å; E589-T595 WeakPolarHBondContact OE1-CB 3.5Å; E589-Y596 HydrophobicContact CG-CD2 3.58Å; E589-Y596 HydrophobicContact CG-CE2 3.75Å; E589-Y596 WeakPolarHBondContact OE1-CD2 3.36Å; E589-Y596 PolarHBondContact OE1-N 3.14Å
590A85.9Confident84.1Confident61 Ų6152.1 Ų52.150%0.50430%0.299SS..Hα-helixtrans-70.4-35.3176.800000112.2Q586 T587 D588Q586-A590 HydrophobicContact CG-CB 4.21Å; T587-A590 WeakPolarHBondContact O-CB 3.47Å; T587-A590 PolarHBondContact O-N 3.13Å; T587-A590 VanDerWaalsContact O-N 3.14Å; T587-A590 WeakPolarHBondContact OG1-CB 3.24Å; D588-A590 VanDerWaalsContact C-N 3.32Å; D588-A590 PolarHBondContact O-N 3.46Å
591D84.1Confident85.4Confident67 Ų6744.6 Ų44.636%0.35826%0.264SS..Hα-helixtrans-78.3-33.4174.9-158.156.9000113Y525 Q586 T587 D588 G593Y525-D591 HydrophobicContact CE2-CB 4.21Å; Y525-D591 WeakPolarHBondContact CE2-OD2 3.45Å; Y525-D591 WeakPolarHBondContact OH-CB 3.36Å; Y525-D591 PolarHBondContact OH-OD2 3.25Å; Q586-D591 PolarHBondContact NE2-OD1 3.49Å; T587-D591 PolarHBondContact O-N 2.94Å; T587-D591 VanDerWaalsContact O-N 3.12Å; D588-D591 PolarHBondContact O-N 2.87Å; D591-G593 VanDerWaalsContact C-N 3.27Å; D591-G593 PolarHBondContact O-N 3.04Å
592M89.4Confident86.7Confident0 Ų039.9 Ų39.90%024%0.238CC..Hα-helixtrans-67.8-29170.2-72.9-168.2-67.500112.5R523 Y525 D588 M594 Y596 L599 H639R523-M592 HydrophobicContact CG-CG 4.3Å; R523-M592 HydrophobicContact CG-SD 3.82Å; R523-M592 PolarHBondContact NH2-O 3.31Å; Y525-M592 HydrophobicContact CD1-CG 3.89Å; Y525-M592 HydrophobicContact CD1-SD 3.85Å; Y525-M592 HydrophobicContact CD2-CG 3.47Å; Y525-M592 VanDerWaalsContact CD2-CG 3.47Å; Y525-M592 HydrophobicContact CD2-SD 4.28Å; Y525-M592 HydrophobicContact CE1-CG 4.25Å; Y525-M592 HydrophobicContact CE2-CG 3.86Å; Y525-M592 HydrophobicContact CG-CG 3.49Å; Y525-M592 VanDerWaalsContact CG-CG 3.49Å; Y525-M592 HydrophobicContact CG-SD 3.67Å; D588-M592 HydrophobicContact CB-CE 4.39Å; D588-M592 WeakPolarHBondContact O-CB 3.27Å; D588-M592 WeakPolarHBondContact O-CG 3.37Å; D588-M592 PolarHBondContact O-N 3.4Å; M592-M594 VanDerWaalsContact C-N 3.31Å; M592-Y596 HydrophobicContact CE-CD1 4.36Å; M592-Y596 HydrophobicContact CE-CD2 4.47Å; M592-Y596 HydrophobicContact CE-CE1 3.83Å; M592-Y596 HydrophobicContact CE-CE2 3.93Å; M592-L599 HydrophobicContact CE-CD1 3.79Å; M592-L599 HydrophobicContact SD-CD1 3.63Å; M592-H639 PolarHBondContact O-NE2 3.49Å
593G91Very high88Confident38 Ų3838 Ų3839%0.39222%0.219SC..THydrogen-bonded Turntrans74.819.7-172.400000113.5E589 D591E589-G593 WeakPolarHBondContact O-CA 3.39Å; E589-G593 PolarHBondContact O-N 3.35Å; D591-G593 VanDerWaalsContact C-N 3.27Å; D591-G593 PolarHBondContact O-N 3.04Å
594M91.9Very high89.2Confident4 Ų436.4 Ų36.42%0.0221%0.208CC..SBendtrans-154.8143.5-170.2-66-176.9159.400109.9E589 M592 E598 L599 F602 K636 H639 F640E589-M594 WeakPolarHBondContact CA-O 3.41Å; E589-M594 WeakPolarHBondContact CB-O 3.43Å; E589-M594 PolarHBondContact O-N 3.42Å; E589-M594 VanDerWaalsContact O-N 3.12Å; M592-M594 VanDerWaalsContact C-N 3.31Å; M594-E598 WeakPolarHBondContact CA-OE2 3.35Å; M594-L599 HydrophobicContact CB-CD2 4.12Å; M594-L599 HydrophobicContact CB-CG 4.18Å; M594-L599 HydrophobicContact SD-CD2 3.79Å; M594-F602 HydrophobicContact CE-CE2 3.68Å; M594-F602 HydrophobicContact CE-CZ 4.1Å; M594-F602 HydrophobicContact CG-CE2 4.38Å; M594-F602 HydrophobicContact SD-CD2 4.13Å; M594-F602 HydrophobicContact SD-CE2 3.6Å; M594-K636 WeakPolarHBondContact CE-O 3.4Å; M594-H639 HydrophobicContact CE-CB 3.91Å; M594-F640 HydrophobicContact CE-CB 3.71Å; M594-F640 HydrophobicContact SD-CB 4.15Å; M594-F640 HydrophobicContact SD-CD2 4.41Å
595T93.7Very high90.5Very high54 Ų5434.6 Ų34.633%0.33120%0.198SC..  trans-79.8158.1171.371.30000111.4E589 A597 E598 L599E589-T595 WeakPolarHBondContact OE1-CA 3.45Å; E589-T595 VanDerWaalsContact OE1-CB 3.27Å; E589-T595 WeakPolarHBondContact OE1-CB 3.5Å; T595-A597 PolarHBondContact O-N 2.97Å; T595-E598 PolarHBondContact N-OE2 3.27Å; T595-E598 VanDerWaalsContact N-OE2 3.14Å; T595-E598 WeakPolarHBondContact O-CB 3.24Å; T595-E598 PolarHBondContact O-N 3.49Å; T595-E598 WeakPolarHBondContact OG1-CG 3.32Å; T595-E598 PolarHBondContact OG1-N 3.41Å; T595-E598 VanDerWaalsContact OG1-N 3.15Å; T595-L599 WeakPolarHBondContact O-CG 3.41Å; T595-L599 PolarHBondContact O-N 2.83Å
596Y93Very high91.9Very high4 Ų431 Ų312%0.01618%0.181CC..Hα-helixtrans-61-33.3172.9-74.5-78.4000112.3D519 E520 K544 P571 D588 E589 M592 L599 S600D519-Y596 HydrophobicContact CB-CD1 4.18Å; E520-Y596 HydrophobicContact CG-CE1 4.13Å; E520-Y596 WeakPolarHBondContact OE1-CE1 3.29Å; E520-Y596 PolarHBondContact OE1-OH 3.3Å; K544-Y596 HydrophobicContact CB-CD1 3.37Å; K544-Y596 HydrophobicContact CB-CD2 4.42Å; K544-Y596 HydrophobicContact CB-CE1 3.93Å; K544-Y596 HydrophobicContact CB-CG 3.65Å; K544-Y596 HydrophobicContact CD-CD1 3.86Å; K544-Y596 HydrophobicContact CD-CD2 4.42Å; K544-Y596 HydrophobicContact CD-CE1 3.49Å; K544-Y596 VanDerWaalsContact CD-CE1 3.49Å; K544-Y596 HydrophobicContact CD-CE2 4.12Å; K544-Y596 HydrophobicContact CD-CG 4.31Å; K544-Y596 WeakPolarHBondContact CE-OH 3.44Å; K544-Y596 HydrophobicContact CG-CD1 3.54Å; K544-Y596 HydrophobicContact CG-CD2 3.86Å; K544-Y596 HydrophobicContact CG-CE1 3.72Å; K544-Y596 HydrophobicContact CG-CE2 4.06Å; K544-Y596 HydrophobicContact CG-CG 3.6Å; K544-Y596 PolarHBondContact NZ-OH 2.96Å; K544-Y596 VanDerWaalsContact NZ-OH 3.11Å; P571-Y596 HydrophobicContact CB-CE2 4.37Å; P571-Y596 HydrophobicContact CG-CE2 4.39Å; D588-Y596 HydrophobicContact CB-CE2 4.46Å; E589-Y596 HydrophobicContact CG-CD2 3.58Å; E589-Y596 HydrophobicContact CG-CE2 3.75Å; E589-Y596 WeakPolarHBondContact OE1-CD2 3.36Å; E589-Y596 PolarHBondContact OE1-N 3.14Å; M592-Y596 HydrophobicContact CE-CD1 4.36Å; M592-Y596 HydrophobicContact CE-CD2 4.47Å; M592-Y596 HydrophobicContact CE-CE1 3.83Å; M592-Y596 HydrophobicContact CE-CE2 3.93Å; Y596-L599 HydrophobicContact CD1-CD1 4.41Å; Y596-L599 PolarHBondContact O-N 2.87Å; Y596-S600 PolarHBondContact O-N 3.41Å; Y596-S600 PolarHBondContact O-OG 2.88Å; Y596-S600 VanDerWaalsContact O-OG 3.13Å
597A93.5Very high92.8Very high55 Ų5529.6 Ų29.646%0.45517%0.174SC..Hα-helixtrans-63.6-42.1174.100000112.3T595 Q601T595-A597 PolarHBondContact O-N 2.97Å; A597-Q601 PolarHBondContact O-N 3.44Å; A597-Q601 VanDerWaalsContact O-N 3.1Å
598E95.3Very high93.3Very high27 Ų2731 Ų3113%0.12618%0.177CC..Hα-helixtrans-63.4-44.9172.5-70.1178146.500111.3M594 T595 S600 Q601 F602 W624 K636M594-E598 WeakPolarHBondContact CA-OE2 3.35Å; T595-E598 PolarHBondContact N-OE2 3.27Å; T595-E598 VanDerWaalsContact N-OE2 3.14Å; T595-E598 WeakPolarHBondContact O-CB 3.24Å; T595-E598 PolarHBondContact O-N 3.49Å; T595-E598 WeakPolarHBondContact OG1-CG 3.32Å; T595-E598 PolarHBondContact OG1-N 3.41Å; T595-E598 VanDerWaalsContact OG1-N 3.15Å; E598-S600 PolarHBondContact O-N 3.11Å; E598-Q601 PolarHBondContact O-N 3.22Å; E598-Q601 VanDerWaalsContact O-N 3.14Å; E598-F602 HydrophobicContact CB-CD2 4.37Å; E598-F602 HydrophobicContact CB-CE2 3.82Å; E598-F602 HydrophobicContact CB-CZ 4.33Å; E598-F602 WeakPolarHBondContact O-CD2 3.21Å; E598-F602 VanDerWaalsContact O-CG 3.27Å; E598-F602 WeakPolarHBondContact O-CG 3.36Å; E598-F602 PolarHBondContact O-N 2.98Å; E598-W624 HydrophobicContact CG-CH2 4.23Å; E598-W624 HydrophobicContact CG-CZ2 4.28Å; E598-K636 WeakPolarHBondContact OE1-CD 3.29Å; E598-K636 WeakPolarHBondContact OE1-CE 3.38Å; E598-K636 IonicContact OE1-NZ 2.69Å; E598-K636 PolarHBondContact OE1-NZ 3.45Å; E598-K636 IonicContact OE2-NZ 3.32Å; E598-K636 PolarHBondContact OE2-NZ 2.94Å
599L95.9Very high93.9Very high0 Ų033.2 Ų33.20%019%0.194CC..Hα-helixtrans-60.2-44178.4-69.2176.8000112.8D519 R523 M592 M594 T595 Y596 Q601 F602 G603 F640D519-L599 HydrophobicContact CB-CB 4.09Å; R523-L599 HydrophobicContact CB-CD1 4.16Å; R523-L599 HydrophobicContact CB-CD2 3.96Å; R523-L599 HydrophobicContact CG-CD1 4.23Å; R523-L599 HydrophobicContact CG-CD2 4Å; M592-L599 HydrophobicContact CE-CD1 3.79Å; M592-L599 HydrophobicContact SD-CD1 3.63Å; M594-L599 HydrophobicContact CB-CD2 4.12Å; M594-L599 HydrophobicContact CB-CG 4.18Å; M594-L599 HydrophobicContact SD-CD2 3.79Å; T595-L599 WeakPolarHBondContact O-CG 3.41Å; T595-L599 PolarHBondContact O-N 2.83Å; Y596-L599 HydrophobicContact CD1-CD1 4.41Å; Y596-L599 PolarHBondContact O-N 2.87Å; L599-Q601 VanDerWaalsContact C-N 3.33Å; L599-Q601 PolarHBondContact O-N 2.9Å; L599-F602 HydrophobicContact CD2-CD2 4.34Å; L599-F602 PolarHBondContact O-N 3.35Å; L599-G603 PolarHBondContact O-N 3.34Å; L599-F640 HydrophobicContact CD2-CD2 4.31Å
600S95.6Very high94.3Very high2 Ų238.3 Ų38.31%0.01422%0.215CC..Hα-helixtrans-65.9-35174.9-53.90000112.1D519 Y596 E598 G603 R604 Y663D519-S600 VanDerWaalsContact CG-OG 3.32Å; D519-S600 WeakPolarHBondContact OD1-CA 3.39Å; D519-S600 PolarHBondContact OD1-OG 2.92Å; D519-S600 PolarHBondContact OD2-OG 3.4Å; Y596-S600 PolarHBondContact O-N 3.41Å; Y596-S600 PolarHBondContact O-OG 2.88Å; Y596-S600 VanDerWaalsContact O-OG 3.13Å; E598-S600 PolarHBondContact O-N 3.11Å; S600-G603 PolarHBondContact O-N 3.42Å; S600-R604 VanDerWaalsContact O-CG 3.3Å; S600-R604 WeakPolarHBondContact O-CG 3.46Å; S600-R604 PolarHBondContact O-N 3.01Å; S600-Y663 WeakPolarHBondContact CB-OH 3.28Å; S600-Y663 PolarHBondContact OG-OH 3.23Å
601Q96.9Very high94.9Very high57 Ų5736.1 Ų36.127%0.26620%0.196SC..Hα-helixtrans-67.4-45.8174-171.1173.24.700111.7A597 E598 L599 G603 R604 L605 L620 W624A597-Q601 PolarHBondContact O-N 3.44Å; A597-Q601 VanDerWaalsContact O-N 3.1Å; E598-Q601 PolarHBondContact O-N 3.22Å; E598-Q601 VanDerWaalsContact O-N 3.14Å; L599-Q601 VanDerWaalsContact C-N 3.33Å; L599-Q601 PolarHBondContact O-N 2.9Å; Q601-G603 VanDerWaalsContact C-N 3.3Å; Q601-G603 PolarHBondContact O-N 2.94Å; Q601-R604 PolarHBondContact O-N 3.41Å; Q601-L605 HydrophobicContact CG-CD1 4.16Å; Q601-L605 WeakPolarHBondContact O-CB 3.28Å; Q601-L605 WeakPolarHBondContact O-CG 3.31Å; Q601-L605 PolarHBondContact O-N 3.25Å; Q601-L620 HydrophobicContact CG-CD2 4.29Å; Q601-L620 VanDerWaalsContact NE2-CD2 3.3Å; Q601-W624 VanDerWaalsContact OE1-NE1 3.13Å
602F97.7Very high95.6Very high0 Ų034.2 Ų34.20%019%0.193CC..Hα-helixtrans-59.9-40.2174.1-61.5-46.5000111.7M594 E598 L599 R606 M616 L620 W624 K636 V637 F640M594-F602 HydrophobicContact CE-CE2 3.68Å; M594-F602 HydrophobicContact CE-CZ 4.1Å; M594-F602 HydrophobicContact CG-CE2 4.38Å; M594-F602 HydrophobicContact SD-CD2 4.13Å; M594-F602 HydrophobicContact SD-CE2 3.6Å; E598-F602 HydrophobicContact CB-CD2 4.37Å; E598-F602 HydrophobicContact CB-CE2 3.82Å; E598-F602 HydrophobicContact CB-CZ 4.33Å; E598-F602 WeakPolarHBondContact O-CD2 3.21Å; E598-F602 VanDerWaalsContact O-CG 3.27Å; E598-F602 WeakPolarHBondContact O-CG 3.36Å; E598-F602 PolarHBondContact O-N 2.98Å; L599-F602 HydrophobicContact CD2-CD2 4.34Å; L599-F602 PolarHBondContact O-N 3.35Å; F602-R606 WeakPolarHBondContact O-CB 3.44Å; F602-R606 PolarHBondContact O-N 2.91Å; F602-M616 HydrophobicContact CB-CE 4.29Å; F602-M616 HydrophobicContact CB-SD 4.23Å; F602-M616 HydrophobicContact CD1-CG 4.48Å; F602-M616 HydrophobicContact CD1-SD 3.52Å; F602-M616 VanDerWaalsContact CD1-SD 3.52Å; F602-M616 HydrophobicContact CE1-SD 4.29Å; F602-M616 HydrophobicContact CG-SD 4.24Å; F602-M616 VanDerWaalsContact O-CE 3.29Å; F602-M616 WeakPolarHBondContact O-CE 3.41Å; F602-L620 HydrophobicContact CD1-CD1 3.85Å; F602-L620 HydrophobicContact CE1-CD1 3.54Å; F602-W624 AromaticContact CE1-CH2 3.65Å; F602-W624 HydrophobicContact CE1-CH2 3.65Å; F602-W624 HydrophobicContact CE1-CZ3 4.18Å; F602-W624 AromaticContact CZ-CH2 3.71Å; F602-W624 HydrophobicContact CZ-CH2 3.71Å; F602-W624 HydrophobicContact CZ-CZ3 4.28Å; F602-K636 HydrophobicContact CZ-CB 4.31Å; F602-V637 HydrophobicContact CE1-CG2 4.34Å; F602-F640 HydrophobicContact CB-CD1 4.1Å; F602-F640 HydrophobicContact CB-CD2 3.8Å; F602-F640 HydrophobicContact CB-CE1 3.95Å; F602-F640 HydrophobicContact CB-CE2 3.64Å; F602-F640 HydrophobicContact CB-CG 4.03Å; F602-F640 HydrophobicContact CB-CZ 3.72Å; F602-F640 HydrophobicContact CD2-CB 4.12Å; F602-F640 AromaticContact CD2-CD2 3.64Å; F602-F640 HydrophobicContact CD2-CD2 3.64Å; F602-F640 HydrophobicContact CD2-CE2 4.25Å; F602-F640 AromaticContact CD2-CG 3.91Å; F602-F640 HydrophobicContact CD2-CG 3.91Å; F602-F640 HydrophobicContact CE2-CB 4.24Å; F602-F640 HydrophobicContact CE2-CD2 4.46Å; F602-F640 HydrophobicContact CG-CB 4.39Å; F602-F640 HydrophobicContact CG-CD1 4.31Å; F602-F640 AromaticContact CG-CD2 3.93Å; F602-F640 HydrophobicContact CG-CD2 3.93Å; F602-F640 HydrophobicContact CG-CE2 4.28Å; F602-F640 AromaticContact CG-CG 3.94Å; F602-F640 HydrophobicContact CG-CG 3.94Å
603G97.3Very high96Very high0 Ų034.6 Ų34.60%020%0.195CC..Hα-helixtrans-61.4-51.4176.900000113.1L599 S600 Q601 R606 K607L599-G603 PolarHBondContact O-N 3.34Å; S600-G603 PolarHBondContact O-N 3.42Å; Q601-G603 VanDerWaalsContact C-N 3.3Å; Q601-G603 PolarHBondContact O-N 2.94Å; G603-R606 PolarHBondContact O-N 3.28Å; G603-K607 PolarHBondContact O-N 3.17Å
604R97.2Very high96.4Very high83 Ų8337 Ų3731%0.31319%0.193SC..Hα-helixtrans-58.2-49.9175.3-70.2178.1-169.81244.8111.4S600 Q601 R606 K607 Q608 S609 Y663S600-R604 VanDerWaalsContact O-CG 3.3Å; S600-R604 WeakPolarHBondContact O-CG 3.46Å; S600-R604 PolarHBondContact O-N 3.01Å; Q601-R604 PolarHBondContact O-N 3.41Å; R604-R606 PolarHBondContact O-N 3.04Å; R604-K607 PolarHBondContact O-N 3.03Å; R604-Q608 VanDerWaalsContact CB-OE1 3.26Å; R604-Q608 VanDerWaalsContact CG-OE1 3.32Å; R604-Q608 WeakPolarHBondContact O-CA 3.43Å; R604-Q608 VanDerWaalsContact O-CB 3.29Å; R604-Q608 WeakPolarHBondContact O-CB 3.31Å; R604-Q608 PolarHBondContact O-N 2.93Å; R604-S609 PolarHBondContact O-N 3.15Å; R604-Y663 HydrophobicContact CG-CD1 3.73Å; R604-Y663 HydrophobicContact CG-CE1 4.12Å; R604-Y663 HydrophobicContact CG-CG 4.12Å
605L98.3Very high96.7Very high8 Ų839.4 Ų39.44%0.04221%0.21CC..Hα-helixtrans-60-42.5177.4-71.1174.6000112.7Q601 S609 F610 C611 M616 L620Q601-L605 HydrophobicContact CG-CD1 4.16Å; Q601-L605 WeakPolarHBondContact O-CB 3.28Å; Q601-L605 WeakPolarHBondContact O-CG 3.31Å; Q601-L605 PolarHBondContact O-N 3.25Å; L605-S609 CarbonylContact O-C 3.59Å; L605-S609 VanDerWaalsContact O-C 3.27Å; L605-S609 WeakPolarHBondContact O-CA 3.3Å; L605-S609 WeakPolarHBondContact O-CB 3.4Å; L605-S609 PolarHBondContact O-N 3.07Å; L605-F610 PolarHBondContact O-N 3.37Å; L605-C611 HydrophobicContact CB-CB 4.39Å; L605-C611 WeakPolarHBondContact O-CB 3.23Å; L605-C611 PolarHBondContact O-N 2.69Å; L605-M616 HydrophobicContact CB-CE 4.02Å; L605-M616 HydrophobicContact CB-CG 4.44Å; L605-M616 HydrophobicContact CD1-CG 4.13Å; L605-L620 HydrophobicContact CD1-CD1 4.11Å; L605-L620 HydrophobicContact CD1-CD2 3.6Å; L605-L620 HydrophobicContact CD1-CG 3.76Å
606R98.3Very high96.9Very high3 Ų336.8 Ų36.81%0.01119%0.194CC..Hα-helixtrans-65.7-36.4179.7176.7-172.2165.4-74.9-5.3113.8F602 G603 R604 M616 Y644 D671F602-R606 WeakPolarHBondContact O-CB 3.44Å; F602-R606 PolarHBondContact O-N 2.91Å; G603-R606 PolarHBondContact O-N 3.28Å; R604-R606 PolarHBondContact O-N 3.04Å; R606-M616 HydrophobicContact CB-CE 3.91Å; R606-Y644 VanDerWaalsContact NH2-CZ 3.32Å; R606-Y644 PolarHBondContact NH2-OH 3.08Å; R606-D671 IonicContact CZ-OD2 3.15Å; R606-D671 IonicContact NH1-OD1 2.76Å; R606-D671 IonicContact NH1-OD2 2.73Å; R606-D671 PolarHBondContact NH1-OD2 3.4Å; R606-D671 IonicContact NH2-OD2 3.87Å; R606-D671 PolarHBondContact NH2-OD2 2.86Å
607K96.8Very high97.2Very high34 Ų3436.7 Ų36.715%0.14819%0.194CC..Hα-helixtrans-110.8-40.5-169.1-175.753.8170.8-1790114.3G603 R604 F670 D671G603-K607 PolarHBondContact O-N 3.17Å; R604-K607 PolarHBondContact O-N 3.03Å; K607-F670 HydrophobicContact CD-CE1 4.27Å; K607-F670 VanDerWaalsContact CE-CD1 3.48Å; K607-F670 HydrophobicContact CG-CE1 4.04Å; K607-F670 PolarHBondContact NZ-O 3.47Å; K607-D671 HydrophobicContact CD-CB 4.42Å; K607-D671 WeakPolarHBondContact CD-OD1 3.23Å; K607-D671 WeakPolarHBondContact CE-OD1 3.36Å; K607-D671 IonicContact NZ-OD1 3.58Å; K607-D671 PolarHBondContact NZ-OD1 3.26Å
608Q95.2Very high97.4Very high77 Ų7736.4 Ų36.436%0.3619%0.188SC..THydrogen-bonded Turntrans-88.1-39.6178.1-57.9168.1-19.700111.5R604 F610 S662R604-Q608 VanDerWaalsContact CB-OE1 3.26Å; R604-Q608 VanDerWaalsContact CG-OE1 3.32Å; R604-Q608 WeakPolarHBondContact O-CA 3.43Å; R604-Q608 VanDerWaalsContact O-CB 3.29Å; R604-Q608 WeakPolarHBondContact O-CB 3.31Å; R604-Q608 PolarHBondContact O-N 2.93Å; Q608-F610 WeakPolarHBondContact O-CD2 3.27Å; Q608-F610 VanDerWaalsContact O-CE2 3.3Å; Q608-F610 WeakPolarHBondContact O-CE2 3.17Å; Q608-S662 PolarHBondContact NE2-OG 3.45Å
609S96.9Very high97.5Very high61 Ų6139 Ų3943%0.42720%0.2SC..SBendtrans-95.96.7178-41.70000113.6R604 L605 C611R604-S609 PolarHBondContact O-N 3.15Å; L605-S609 CarbonylContact O-C 3.59Å; L605-S609 VanDerWaalsContact O-C 3.27Å; L605-S609 WeakPolarHBondContact O-CA 3.3Å; L605-S609 WeakPolarHBondContact O-CB 3.4Å; L605-S609 PolarHBondContact O-N 3.07Å; S609-C611 PolarHBondContact O-N 3.35Å; S609-C611 PolarHBondContact O-SG 3.4Å
610F97Very high97.6Very high169 Ų16939 Ų3974%0.74120%0.2SC*.  trans53.321.6177.6-53.7-82.9000115.6L605 Q608 G612L605-F610 PolarHBondContact O-N 3.37Å; Q608-F610 WeakPolarHBondContact O-CD2 3.27Å; Q608-F610 VanDerWaalsContact O-CE2 3.3Å; Q608-F610 WeakPolarHBondContact O-CE2 3.17Å; F610-G612 PolarHBondContact O-N 3.03Å
611C98.3Very high97.6Very high15 Ų1540 Ų4010%0.10121%0.206CC..  trans-71.4123.2-174.5-63.60000112.8L605 S609 S615 M616L605-C611 HydrophobicContact CB-CB 4.39Å; L605-C611 WeakPolarHBondContact O-CB 3.23Å; L605-C611 PolarHBondContact O-N 2.69Å; S609-C611 PolarHBondContact O-N 3.35Å; S609-C611 PolarHBondContact O-SG 3.4Å; C611-S615 WeakPolarHBondContact CA-OG 3.25Å; C611-M616 HydrophobicContact CB-CB 3.9Å
612G98.2Very high97.4Very high28 Ų2840.2 Ų40.229%0.28922%0.218SC..  trans-78.3-175.7156.100000111.3F610 Y614 S615 M616F610-G612 PolarHBondContact O-N 3.03Å; G612-Y614 PolarHBondContact O-N 2.79Å; G612-S615 PolarHBondContact N-OG 2.77Å; G612-S615 VanDerWaalsContact N-OG 3.09Å; G612-S615 PolarHBondContact O-N 3.02Å; G612-S615 PolarHBondContact O-OG 3.2Å; G612-M616 VanDerWaalsContact O-CB 3.3Å; G612-M616 WeakPolarHBondContact O-CB 3.36Å; G612-M616 PolarHBondContact O-N 3.04Å
613P98.6Very high97.2Very high8 Ų843.3 Ų43.35%0.05224%0.237CC..Hα-helixtrans-56-50.8-173.3-21.728.5000113.6M616 F617 V637 F641 W681 Q684 F685 I688P613-M616 PolarHBondContact O-N 3.46Å; P613-F617 PolarHBondContact O-N 2.58Å; P613-V637 WeakPolarHBondContact O-CG1 3.38Å; P613-F641 VanDerWaalsContact CA-CE2 3.44Å; P613-F641 HydrophobicContact CB-CD2 3.79Å; P613-F641 HydrophobicContact CB-CE2 4.05Å; P613-F641 HydrophobicContact CB-CG 4.13Å; P613-F641 HydrophobicContact CG-CB 4.28Å; P613-F641 HydrophobicContact CG-CD1 3.79Å; P613-F641 HydrophobicContact CG-CD2 3.81Å; P613-F641 HydrophobicContact CG-CE1 4.02Å; P613-F641 HydrophobicContact CG-CE2 4.04Å; P613-F641 HydrophobicContact CG-CG 3.69Å; P613-F641 HydrophobicContact CG-CZ 4.15Å; P613-W681 HydrophobicContact CG-CD2 4.37Å; P613-W681 HydrophobicContact CG-CE3 4.18Å; P613-Q684 HydrophobicContact CB-CB 4.04Å; P613-Q684 HydrophobicContact CG-CB 3.9Å; P613-Q684 HydrophobicContact CG-CG 4.28Å; P613-F685 HydrophobicContact CB-CD1 4.34Å; P613-F685 HydrophobicContact CB-CE1 4.17Å; P613-F685 HydrophobicContact CG-CE1 4.47Å; P613-I688 HydrophobicContact CB-CD1 3.91Å
614Y98.6Very high97.1Very high89 Ų8944.8 Ų44.835%0.34924%0.242SC..Hα-helixtrans-63.7-47.9-177.4-178.4-104.4000112.4G612 M616 F617 C618 A687 I688 E691G612-Y614 PolarHBondContact O-N 2.79Å; Y614-M616 VanDerWaalsContact C-N 3.32Å; Y614-M616 PolarHBondContact O-N 3.47Å; Y614-F617 WeakPolarHBondContact O-CB 3.42Å; Y614-F617 PolarHBondContact O-N 3.12Å; Y614-C618 VanDerWaalsContact CZ-SG 3.57Å; Y614-C618 PolarHBondContact O-N 2.66Å; Y614-C618 PolarHBondContact O-SG 2.74Å; Y614-A687 HydrophobicContact CD2-CB 3.79Å; Y614-A687 HydrophobicContact CE2-CB 4.24Å; Y614-A687 VanDerWaalsContact CE2-O 3.24Å; Y614-A687 WeakPolarHBondContact CE2-O 3.44Å; Y614-A687 HydrophobicContact CG-CB 4.37Å; Y614-I688 HydrophobicContact CD2-CG1 4.22Å; Y614-E691 HydrophobicContact CE2-CB 3.94Å; Y614-E691 HydrophobicContact CE2-CG 4.2Å
615S98.5Very high96.8Very high53 Ų5347.2 Ų47.237%0.37126%0.255SS..Hα-helixtrans-66.7-31.417838.30000113.3C611 G612 H619C611-S615 WeakPolarHBondContact CA-OG 3.25Å; G612-S615 PolarHBondContact N-OG 2.77Å; G612-S615 VanDerWaalsContact N-OG 3.09Å; G612-S615 PolarHBondContact O-N 3.02Å; G612-S615 PolarHBondContact O-OG 3.2Å; S615-H619 WeakPolarHBondContact O-CB 3.48Å; S615-H619 PolarHBondContact O-N 3.01Å
616M98.6Very high96.4Very high0 Ų050 Ų500%028%0.275CS..Hα-helixtrans-66.7-43.2172.4-173.1179.5-71.700111.2F602 L605 R606 C611 G612 P613 Y614 H619 L620 V637 F640 F641F602-M616 HydrophobicContact CB-CE 4.29Å; F602-M616 HydrophobicContact CB-SD 4.23Å; F602-M616 HydrophobicContact CD1-CG 4.48Å; F602-M616 HydrophobicContact CD1-SD 3.52Å; F602-M616 VanDerWaalsContact CD1-SD 3.52Å; F602-M616 HydrophobicContact CE1-SD 4.29Å; F602-M616 HydrophobicContact CG-SD 4.24Å; F602-M616 VanDerWaalsContact O-CE 3.29Å; F602-M616 WeakPolarHBondContact O-CE 3.41Å; L605-M616 HydrophobicContact CB-CE 4.02Å; L605-M616 HydrophobicContact CB-CG 4.44Å; L605-M616 HydrophobicContact CD1-CG 4.13Å; R606-M616 HydrophobicContact CB-CE 3.91Å; C611-M616 HydrophobicContact CB-CB 3.9Å; G612-M616 VanDerWaalsContact O-CB 3.3Å; G612-M616 WeakPolarHBondContact O-CB 3.36Å; G612-M616 PolarHBondContact O-N 3.04Å; P613-M616 PolarHBondContact O-N 3.46Å; Y614-M616 VanDerWaalsContact C-N 3.32Å; Y614-M616 PolarHBondContact O-N 3.47Å; M616-H619 PolarHBondContact O-N 2.86Å; M616-L620 HydrophobicContact CG-CD1 3.75Å; M616-L620 HydrophobicContact CG-CG 4.4Å; M616-L620 WeakPolarHBondContact O-CB 3.39Å; M616-L620 VanDerWaalsContact O-CG 3.29Å; M616-L620 WeakPolarHBondContact O-CG 3.36Å; M616-L620 PolarHBondContact O-N 3.06Å; M616-L620 HydrophobicContact SD-CD1 4.47Å; M616-V637 HydrophobicContact CB-CG1 4.25Å; M616-V637 HydrophobicContact CG-CG1 4.38Å; M616-V637 HydrophobicContact CG-CG2 4.16Å; M616-V637 HydrophobicContact SD-CG1 4.33Å; M616-V637 HydrophobicContact SD-CG2 4.4Å; M616-F640 HydrophobicContact CE-CD1 4.26Å; M616-F640 HydrophobicContact CE-CE1 3.95Å; M616-F640 HydrophobicContact SD-CD1 4.05Å; M616-F640 HydrophobicContact SD-CE1 4.35Å; M616-F641 HydrophobicContact CB-CE2 4.24Å; M616-F641 HydrophobicContact CE-CE2 3.68Å; M616-F641 HydrophobicContact CE-CZ 3.87Å; M616-F641 HydrophobicContact SD-CD2 4.4Å; M616-F641 HydrophobicContact SD-CE2 3.61Å; M616-F641 HydrophobicContact SD-CZ 4.41Å
617F98.5Very high96Very high1 Ų154.2 Ų54.20%0.00430%0.298CS..Hα-helixtrans-59.7-49.9172.3164.8-104.3000111.9P613 Y614 H619 L620 V621 P630 V633 A634 V637 I688 E691 A692 L695P613-F617 PolarHBondContact O-N 2.58Å; Y614-F617 WeakPolarHBondContact O-CB 3.42Å; Y614-F617 PolarHBondContact O-N 3.12Å; F617-H619 VanDerWaalsContact C-N 3.26Å; F617-H619 PolarHBondContact O-N 3.31Å; F617-L620 PolarHBondContact O-N 2.99Å; F617-V621 HydrophobicContact CD2-CB 4.5Å; F617-V621 HydrophobicContact CE2-CB 4.08Å; F617-V621 HydrophobicContact CE2-CG2 4.28Å; F617-V621 HydrophobicContact CZ-CB 4.33Å; F617-V621 HydrophobicContact CZ-CG1 4.42Å; F617-V621 HydrophobicContact CZ-CG2 4.38Å; F617-V621 WeakPolarHBondContact O-CB 3.23Å; F617-V621 WeakPolarHBondContact O-CG1 3.26Å; F617-V621 PolarHBondContact O-N 2.67Å; F617-P630 WeakPolarHBondContact CE2-O 3.15Å; F617-V633 HydrophobicContact CD2-CB 4.38Å; F617-V633 HydrophobicContact CD2-CG1 4.05Å; F617-V633 HydrophobicContact CE2-CB 4.44Å; F617-A634 HydrophobicContact CD2-CB 4.16Å; F617-A634 HydrophobicContact CE2-CB 4.03Å; F617-V637 HydrophobicContact CB-CG1 4.36Å; F617-V637 HydrophobicContact CB-CG2 4.46Å; F617-I688 HydrophobicContact CB-CD1 4.13Å; F617-I688 HydrophobicContact CB-CG1 3.92Å; F617-I688 HydrophobicContact CB-CG2 4.27Å; F617-I688 HydrophobicContact CD1-CB 4.45Å; F617-I688 HydrophobicContact CD1-CG1 4.25Å; F617-I688 HydrophobicContact CD1-CG2 4.06Å; F617-I688 HydrophobicContact CD2-CG2 3.92Å; F617-I688 HydrophobicContact CE1-CG2 4.42Å; F617-I688 HydrophobicContact CE2-CG2 4.29Å; F617-I688 HydrophobicContact CG-CB 4.47Å; F617-I688 HydrophobicContact CG-CG1 4.16Å; F617-I688 HydrophobicContact CG-CG2 3.79Å; F617-E691 HydrophobicContact CE1-CB 4.04Å; F617-E691 HydrophobicContact CE1-CG 4.09Å; F617-A692 HydrophobicContact CE2-CB 4.43Å; F617-A692 HydrophobicContact CZ-CB 3.96Å; F617-L695 HydrophobicContact CE1-CD1 4.41Å; F617-L695 HydrophobicContact CZ-CD1 4.15Å
618C97.7Very high95.8Very high49 Ų4953.7 Ų53.733%0.33130%0.297SS..Hα-helixtrans-60.7-33179.3-63.70000113.3Y614Y614-C618 VanDerWaalsContact CZ-SG 3.57Å; Y614-C618 PolarHBondContact O-N 2.66Å; Y614-C618 PolarHBondContact O-SG 2.74Å
619H97.3Very high95.8Very high81 Ų8150.9 Ų50.938%0.37529%0.285SS..Hα-helixtrans-70.2-52.7172.1-173.6104.6000111S615 M616 F617 V621 A622 T623S615-H619 WeakPolarHBondContact O-CB 3.48Å; S615-H619 PolarHBondContact O-N 3.01Å; M616-H619 PolarHBondContact O-N 2.86Å; F617-H619 VanDerWaalsContact C-N 3.26Å; F617-H619 PolarHBondContact O-N 3.31Å; H619-V621 PolarHBondContact O-N 3.41Å; H619-A622 WeakPolarHBondContact O-CB 3.34Å; H619-A622 PolarHBondContact O-N 2.96Å; H619-T623 PolarHBondContact O-N 2.9Å
620L97.5Very high95.8Very high0 Ų048.1 Ų48.10%027%0.266CS..Hα-helixtrans-70.9-31.4-171.3-69.1174.9000113.6Q601 F602 L605 M616 F617 A622 T623 W624 V633 V637Q601-L620 HydrophobicContact CG-CD2 4.29Å; Q601-L620 VanDerWaalsContact NE2-CD2 3.3Å; F602-L620 HydrophobicContact CD1-CD1 3.85Å; F602-L620 HydrophobicContact CE1-CD1 3.54Å; L605-L620 HydrophobicContact CD1-CD1 4.11Å; L605-L620 HydrophobicContact CD1-CD2 3.6Å; L605-L620 HydrophobicContact CD1-CG 3.76Å; M616-L620 HydrophobicContact CG-CD1 3.75Å; M616-L620 HydrophobicContact CG-CG 4.4Å; M616-L620 WeakPolarHBondContact O-CB 3.39Å; M616-L620 VanDerWaalsContact O-CG 3.29Å; M616-L620 WeakPolarHBondContact O-CG 3.36Å; M616-L620 PolarHBondContact O-N 3.06Å; M616-L620 HydrophobicContact SD-CD1 4.47Å; F617-L620 PolarHBondContact O-N 2.99Å; L620-A622 PolarHBondContact O-N 2.89Å; L620-T623 WeakPolarHBondContact CA-OG1 3.42Å; L620-T623 PolarHBondContact O-N 2.88Å; L620-T623 PolarHBondContact O-OG1 3.35Å; L620-W624 HydrophobicContact CB-CD2 4.24Å; L620-W624 HydrophobicContact CB-CE3 4Å; L620-W624 HydrophobicContact CB-CZ3 4.38Å; L620-W624 HydrophobicContact CD1-CE3 4.32Å; L620-W624 HydrophobicContact CD1-CH2 3.92Å; L620-W624 HydrophobicContact CD1-CZ2 4.37Å; L620-W624 HydrophobicContact CD1-CZ3 3.88Å; L620-W624 HydrophobicContact CD2-CD2 4.01Å; L620-W624 HydrophobicContact CD2-CE3 4.33Å; L620-W624 HydrophobicContact CD2-CH2 4.22Å; L620-W624 HydrophobicContact CD2-CZ2 3.84Å; L620-W624 HydrophobicContact CD2-CZ3 4.44Å; L620-W624 HydrophobicContact CG-CE3 4.46Å; L620-W624 HydrophobicContact CG-CZ3 4.48Å; L620-W624 WeakPolarHBondContact O-CB 3.48Å; L620-W624 PolarHBondContact O-N 2.92Å; L620-V633 HydrophobicContact CB-CG1 3.55Å; L620-V637 HydrophobicContact CD1-CG2 3.79Å
621V95.8Very high95.7Very high24 Ų2446.5 Ų46.515%0.14526%0.259CS..Hα-helixtrans-65.9-22.9175.273.70000112.1F617 H619 P630 V633 L695F617-V621 HydrophobicContact CD2-CB 4.5Å; F617-V621 HydrophobicContact CE2-CB 4.08Å; F617-V621 HydrophobicContact CE2-CG2 4.28Å; F617-V621 HydrophobicContact CZ-CB 4.33Å; F617-V621 HydrophobicContact CZ-CG1 4.42Å; F617-V621 HydrophobicContact CZ-CG2 4.38Å; F617-V621 WeakPolarHBondContact O-CB 3.23Å; F617-V621 WeakPolarHBondContact O-CG1 3.26Å; F617-V621 PolarHBondContact O-N 2.67Å; H619-V621 PolarHBondContact O-N 3.41Å; V621-P630 HydrophobicContact CG2-CB 3.85Å; V621-P630 HydrophobicContact CG2-CG 3.88Å; V621-V633 HydrophobicContact CB-CG1 4.49Å; V621-L695 HydrophobicContact CG1-CD1 4.13Å; V621-L695 HydrophobicContact CG2-CD1 4.11Å
622A92.9Very high95.6Very high62 Ų6250 Ų5051%0.51227%0.273SS..Hα-helixtrans-83.5-36.8172.100000112.8H619 L620 K625H619-A622 WeakPolarHBondContact O-CB 3.34Å; H619-A622 PolarHBondContact O-N 2.96Å; L620-A622 PolarHBondContact O-N 2.89Å; A622-K625 WeakPolarHBondContact O-CD 3.45Å
623T93.9Very high95.5Very high65 Ų6548.6 Ų48.640%0.39926%0.26SS..Hα-helixtrans-84.8-29.9-177.160.40000114.4H619 L620H619-T623 PolarHBondContact O-N 2.9Å; L620-T623 WeakPolarHBondContact CA-OG1 3.42Å; L620-T623 PolarHBondContact O-N 2.88Å; L620-T623 PolarHBondContact O-OG1 3.35Å
624W95.3Very high95.5Very high30 Ų3048.3 Ų48.311%0.11426%0.258CS..SBendtrans-102.39.2-177.4-64.4-18.8000113.6E598 Q601 F602 L620 S626 D627 L628 V633 K636E598-W624 HydrophobicContact CG-CH2 4.23Å; E598-W624 HydrophobicContact CG-CZ2 4.28Å; Q601-W624 VanDerWaalsContact OE1-NE1 3.13Å; F602-W624 AromaticContact CE1-CH2 3.65Å; F602-W624 HydrophobicContact CE1-CH2 3.65Å; F602-W624 HydrophobicContact CE1-CZ3 4.18Å; F602-W624 AromaticContact CZ-CH2 3.71Å; F602-W624 HydrophobicContact CZ-CH2 3.71Å; F602-W624 HydrophobicContact CZ-CZ3 4.28Å; L620-W624 HydrophobicContact CB-CD2 4.24Å; L620-W624 HydrophobicContact CB-CE3 4Å; L620-W624 HydrophobicContact CB-CZ3 4.38Å; L620-W624 HydrophobicContact CD1-CE3 4.32Å; L620-W624 HydrophobicContact CD1-CH2 3.92Å; L620-W624 HydrophobicContact CD1-CZ2 4.37Å; L620-W624 HydrophobicContact CD1-CZ3 3.88Å; L620-W624 HydrophobicContact CD2-CD2 4.01Å; L620-W624 HydrophobicContact CD2-CE3 4.33Å; L620-W624 HydrophobicContact CD2-CH2 4.22Å; L620-W624 HydrophobicContact CD2-CZ2 3.84Å; L620-W624 HydrophobicContact CD2-CZ3 4.44Å; L620-W624 HydrophobicContact CG-CE3 4.46Å; L620-W624 HydrophobicContact CG-CZ3 4.48Å; L620-W624 WeakPolarHBondContact O-CB 3.48Å; L620-W624 PolarHBondContact O-N 2.92Å; W624-S626 PolarHBondContact O-N 3.22Å; W624-D627 PolarHBondContact O-N 3.44Å; W624-L628 HydrophobicContact CB-CB 4.48Å; W624-L628 HydrophobicContact CB-CD1 4.35Å; W624-L628 HydrophobicContact CD2-CD1 4.18Å; W624-L628 HydrophobicContact CE3-CD1 3.63Å; W624-L628 HydrophobicContact CZ3-CD1 4.16Å; W624-L628 PolarHBondContact O-N 2.85Å; W624-V633 HydrophobicContact CB-CG2 4.32Å; W624-V633 HydrophobicContact CE3-CG1 4.07Å; W624-V633 HydrophobicContact CE3-CG2 4.11Å; W624-V633 HydrophobicContact CZ3-CG1 4.49Å; W624-K636 HydrophobicContact CZ3-CB 4.45Å; W624-K636 HydrophobicContact CZ3-CD 4.04Å
625K90.2Very high95.4Very high135 Ų13548.7 Ų48.759%0.58726%0.262SS*.THydrogen-bonded Turntrans-57.6-15.7-177.467.7179.6-179.6178.40115.9A622 Y699A622-K625 WeakPolarHBondContact O-CD 3.45Å; K625-Y699 WeakPolarHBondContact O-CE2 3.46Å; K625-Y699 PolarHBondContact O-OH 3.49Å
626S89.4Confident95.4Very high66 Ų6648.5 Ų48.546%0.46226%0.255SS..THydrogen-bonded Turntrans-80.5-28.4174.529.40000112.6W624W624-S626 PolarHBondContact O-N 3.22Å
627D90.6Very high95.4Very high92 Ų9248.5 Ų48.549%0.49226%0.255SS..THydrogen-bonded Turntrans-119.1-24.4-160.8-55.1-83.5000113W624 R707W624-D627 PolarHBondContact O-N 3.44Å; D627-R707 PolarHBondContact O-NH2 2.83Å
628L93.3Very high95.4Very high23 Ų2349.5 Ų49.512%0.1226%0.26CS..  trans-144.4138.4-173.4-62.2174.8000111.3W624 E632 V633 K636W624-L628 HydrophobicContact CB-CB 4.48Å; W624-L628 HydrophobicContact CB-CD1 4.35Å; W624-L628 HydrophobicContact CD2-CD1 4.18Å; W624-L628 HydrophobicContact CE3-CD1 3.63Å; W624-L628 HydrophobicContact CZ3-CD1 4.16Å; W624-L628 PolarHBondContact O-N 2.85Å; L628-E632 HydrophobicContact CB-CB 4.12Å; L628-E632 HydrophobicContact CD2-CB 4.03Å; L628-V633 HydrophobicContact CB-CG2 3.82Å; L628-V633 HydrophobicContact CD1-CG2 4.35Å; L628-K636 HydrophobicContact CD1-CD 3.89Å
629S94.6Very high95.3Very high17 Ų1750.2 Ų50.212%0.11926%0.258CS..  trans-71.6160.5169.966.60000112.4K631 E632 V633S629-K631 PolarHBondContact O-N 3.08Å; S629-K631 VanDerWaalsContact O-N 3.11Å; S629-E632 VanDerWaalsContact CB-OE2 3.24Å; S629-E632 WeakPolarHBondContact CB-OE2 3.38Å; S629-E632 PolarHBondContact N-OE2 3.05Å; S629-E632 PolarHBondContact O-N 2.83Å; S629-E632 WeakPolarHBondContact OG-CG 3.41Å; S629-E632 PolarHBondContact OG-N 2.92Å; S629-E632 PolarHBondContact OG-OE2 2.8Å; S629-V633 WeakPolarHBondContact O-CG2 3.18Å; S629-V633 PolarHBondContact O-N 3.45Å
630P96Very high95.4Very high4 Ų446.3 Ų46.33%0.02624%0.24CC..Hα-helixtrans-50.8-38.3176.1-28.635.4000113.4F617 V621 V633 A634 A692 L695 Y699F617-P630 WeakPolarHBondContact CE2-O 3.15Å; V621-P630 HydrophobicContact CG2-CB 3.85Å; V621-P630 HydrophobicContact CG2-CG 3.88Å; P630-V633 PolarHBondContact O-N 3.41Å; P630-A634 WeakPolarHBondContact O-CB 3.35Å; P630-A634 PolarHBondContact O-N 2.65Å; P630-A692 HydrophobicContact CB-CB 4.46Å; P630-L695 HydrophobicContact CB-CB 4.11Å; P630-L695 HydrophobicContact CG-CB 3.91Å; P630-Y699 HydrophobicContact CG-CD2 4.27Å; P630-Y699 HydrophobicContact CG-CG 4.22Å
631K96Very high95.4Very high134 Ų13446.7 Ų46.758%0.58324%0.241SC*.Hα-helixtrans-65.9-40.5177-172172.2-178.3174.20113.2S629 A634 E635S629-K631 PolarHBondContact O-N 3.08Å; S629-K631 VanDerWaalsContact O-N 3.11Å; K631-A634 WeakPolarHBondContact O-CB 3.41Å; K631-A634 PolarHBondContact O-N 2.88Å; K631-E635 WeakPolarHBondContact O-CG 3.38Å; K631-E635 PolarHBondContact O-N 3.5Å
632E95.7Very high95.5Very high88 Ų8848.8 Ų48.841%0.41125%0.252SS..Hα-helixtrans-69.3-37.9177.9-69.6161.8107.400111.9L628 S629 E635 K636L628-E632 HydrophobicContact CB-CB 4.12Å; L628-E632 HydrophobicContact CD2-CB 4.03Å; S629-E632 VanDerWaalsContact CB-OE2 3.24Å; S629-E632 WeakPolarHBondContact CB-OE2 3.38Å; S629-E632 PolarHBondContact N-OE2 3.05Å; S629-E632 PolarHBondContact O-N 2.83Å; S629-E632 WeakPolarHBondContact OG-CG 3.41Å; S629-E632 PolarHBondContact OG-N 2.92Å; S629-E632 PolarHBondContact OG-OE2 2.8Å; E632-E635 PolarHBondContact O-N 3.02Å; E632-K636 PolarHBondContact O-N 3.37Å
633V97Very high95.7Very high0 Ų046.3 Ų46.30%023%0.23CC..Hα-helixtrans-63.8-43172.3-175.40000110.8F617 L620 V621 W624 L628 S629 P630 K636 V637F617-V633 HydrophobicContact CD2-CB 4.38Å; F617-V633 HydrophobicContact CD2-CG1 4.05Å; F617-V633 HydrophobicContact CE2-CB 4.44Å; L620-V633 HydrophobicContact CB-CG1 3.55Å; V621-V633 HydrophobicContact CB-CG1 4.49Å; W624-V633 HydrophobicContact CB-CG2 4.32Å; W624-V633 HydrophobicContact CE3-CG1 4.07Å; W624-V633 HydrophobicContact CE3-CG2 4.11Å; W624-V633 HydrophobicContact CZ3-CG1 4.49Å; L628-V633 HydrophobicContact CB-CG2 3.82Å; L628-V633 HydrophobicContact CD1-CG2 4.35Å; S629-V633 WeakPolarHBondContact O-CG2 3.18Å; S629-V633 PolarHBondContact O-N 3.45Å; P630-V633 PolarHBondContact O-N 3.41Å; V633-K636 PolarHBondContact O-N 2.81Å; V633-V637 HydrophobicContact CG1-CG2 4.39Å; V633-V637 WeakPolarHBondContact O-CG2 3.5Å; V633-V637 PolarHBondContact O-N 2.89Å
634A97.8Very high95.9Very high1 Ų143.4 Ų43.41%0.00821%0.212CC..Hα-helixtrans-57.6-50.3175.900000111.9F617 P630 K631 K636 V637 K638 I688 A692F617-A634 HydrophobicContact CD2-CB 4.16Å; F617-A634 HydrophobicContact CE2-CB 4.03Å; P630-A634 WeakPolarHBondContact O-CB 3.35Å; P630-A634 PolarHBondContact O-N 2.65Å; K631-A634 WeakPolarHBondContact O-CB 3.41Å; K631-A634 PolarHBondContact O-N 2.88Å; A634-K636 PolarHBondContact O-N 3.33Å; A634-V637 PolarHBondContact O-N 3.04Å; A634-K638 WeakPolarHBondContact O-CB 3.49Å; A634-K638 VanDerWaalsContact O-CG 3.23Å; A634-K638 WeakPolarHBondContact O-CG 3.48Å; A634-K638 PolarHBondContact O-N 3.46Å; A634-I688 HydrophobicContact CB-CG2 3.42Å; A634-I688 VanDerWaalsContact CB-CG2 3.42Å; A634-A692 HydrophobicContact CB-CB 4.38Å
635E97.3Very high96Very high97 Ų9742.2 Ų42.245%0.45321%0.208SC..Hα-helixtrans-64.5-39.4179.3-67.1-51.5120.700112.8K631 E632 K638 H639K631-E635 WeakPolarHBondContact O-CG 3.38Å; K631-E635 PolarHBondContact O-N 3.5Å; E632-E635 PolarHBondContact O-N 3.02Å; E635-K638 PolarHBondContact O-N 3.26Å; E635-K638 WeakPolarHBondContact OE1-CD 3.33Å; E635-K638 IonicContact OE1-NZ 3.94Å; E635-K638 PolarHBondContact OE1-NZ 3.36Å; E635-H639 VanDerWaalsContact O-CB 3.32Å; E635-H639 WeakPolarHBondContact O-CB 3.32Å; E635-H639 PolarHBondContact O-N 3.33Å
636K97.5Very high96.4Very high49 Ų4939.7 Ų39.721%0.21320%0.2CC..Hα-helixtrans-60.7-47.5172.9-82.6-178.8175.7-76.50112.1M594 E598 F602 W624 L628 E632 V633 A634 H639 F640M594-K636 WeakPolarHBondContact CE-O 3.4Å; E598-K636 WeakPolarHBondContact OE1-CD 3.29Å; E598-K636 WeakPolarHBondContact OE1-CE 3.38Å; E598-K636 IonicContact OE1-NZ 2.69Å; E598-K636 PolarHBondContact OE1-NZ 3.45Å; E598-K636 IonicContact OE2-NZ 3.32Å; E598-K636 PolarHBondContact OE2-NZ 2.94Å; F602-K636 HydrophobicContact CZ-CB 4.31Å; W624-K636 HydrophobicContact CZ3-CB 4.45Å; W624-K636 HydrophobicContact CZ3-CD 4.04Å; L628-K636 HydrophobicContact CD1-CD 3.89Å; E632-K636 PolarHBondContact O-N 3.37Å; V633-K636 PolarHBondContact O-N 2.81Å; A634-K636 PolarHBondContact O-N 3.33Å; K636-H639 PolarHBondContact O-N 2.95Å; K636-F640 PolarHBondContact O-N 3.36Å
637V98.1Very high96.8Very high0 Ų037.7 Ų37.70%019%0.185CC..Hα-helixtrans-65.4-40.2178.9172.60000111.7F602 P613 M616 F617 L620 V633 A634 F640 F641 I688F602-V637 HydrophobicContact CE1-CG2 4.34Å; P613-V637 WeakPolarHBondContact O-CG1 3.38Å; M616-V637 HydrophobicContact CB-CG1 4.25Å; M616-V637 HydrophobicContact CG-CG1 4.38Å; M616-V637 HydrophobicContact CG-CG2 4.16Å; M616-V637 HydrophobicContact SD-CG1 4.33Å; M616-V637 HydrophobicContact SD-CG2 4.4Å; F617-V637 HydrophobicContact CB-CG1 4.36Å; F617-V637 HydrophobicContact CB-CG2 4.46Å; L620-V637 HydrophobicContact CD1-CG2 3.79Å; V633-V637 HydrophobicContact CG1-CG2 4.39Å; V633-V637 WeakPolarHBondContact O-CG2 3.5Å; V633-V637 PolarHBondContact O-N 2.89Å; A634-V637 PolarHBondContact O-N 3.04Å; V637-F640 PolarHBondContact O-N 2.81Å; V637-F641 HydrophobicContact CG1-CD2 4Å; V637-F641 HydrophobicContact CG1-CE2 4.28Å; V637-F641 WeakPolarHBondContact O-CD2 3.37Å; V637-F641 PolarHBondContact O-N 2.93Å; V637-F641 VanDerWaalsContact O-N 3.11Å; V637-I688 HydrophobicContact CG1-CD1 4.07Å
638K98.4Very high97.1Very high23 Ų2333.4 Ų33.410%0.116%0.162CC..Hα-helixtrans-60.4-48.4173.7-71.9172.1-169175.40111.6A634 E635 F640 F641 L642 F685 D689A634-K638 WeakPolarHBondContact O-CB 3.49Å; A634-K638 VanDerWaalsContact O-CG 3.23Å; A634-K638 WeakPolarHBondContact O-CG 3.48Å; A634-K638 PolarHBondContact O-N 3.46Å; E635-K638 PolarHBondContact O-N 3.26Å; E635-K638 WeakPolarHBondContact OE1-CD 3.33Å; E635-K638 IonicContact OE1-NZ 3.94Å; E635-K638 PolarHBondContact OE1-NZ 3.36Å; K638-F640 VanDerWaalsContact C-N 3.32Å; K638-F640 PolarHBondContact O-N 3.09Å; K638-F641 PolarHBondContact O-N 3.19Å; K638-L642 VanDerWaalsContact O-CB 3.24Å; K638-L642 WeakPolarHBondContact O-CB 3.45Å; K638-L642 PolarHBondContact O-N 2.86Å; K638-F685 HydrophobicContact CB-CD2 4.31Å; K638-F685 HydrophobicContact CB-CE1 4.2Å; K638-F685 HydrophobicContact CB-CE2 3.97Å; K638-F685 HydrophobicContact CB-CZ 3.91Å; K638-F685 HydrophobicContact CD-CD2 4.47Å; K638-F685 HydrophobicContact CG-CB 4.49Å; K638-F685 HydrophobicContact CG-CD1 3.89Å; K638-F685 HydrophobicContact CG-CD2 3.97Å; K638-F685 HydrophobicContact CG-CE1 4.04Å; K638-F685 HydrophobicContact CG-CE2 4.11Å; K638-F685 HydrophobicContact CG-CG 3.87Å; K638-F685 HydrophobicContact CG-CZ 4.15Å; K638-F685 VanDerWaalsContact O-CZ 3.27Å; K638-F685 WeakPolarHBondContact O-CZ 3.37Å; K638-D689 WeakPolarHBondContact CE-OD2 3.4Å; K638-D689 IonicContact NZ-OD1 2.68Å; K638-D689 PolarHBondContact NZ-OD1 3.47Å; K638-D689 IonicContact NZ-OD2 3.12Å; K638-D689 PolarHBondContact NZ-OD2 2.95Å
639H97.6Very high97.4Very high63 Ų6335.7 Ų35.729%0.29217%0.172SC..Hα-helixtrans-59.8-41.6179-175.638.4000111.7M592 M594 E635 K636 C643M592-H639 PolarHBondContact O-NE2 3.49Å; M594-H639 HydrophobicContact CE-CB 3.91Å; E635-H639 VanDerWaalsContact O-CB 3.32Å; E635-H639 WeakPolarHBondContact O-CB 3.32Å; E635-H639 PolarHBondContact O-N 3.33Å; K636-H639 PolarHBondContact O-N 2.95Å; H639-C643 PolarHBondContact CE1-SG 3.11Å; H639-C643 PolarHBondContact ND1-SG 2.71Å; H639-C643 VanDerWaalsContact ND1-SG 3.42Å; H639-C643 VanDerWaalsContact O-CB 3.26Å; H639-C643 WeakPolarHBondContact O-CB 3.48Å; H639-C643 PolarHBondContact O-N 3.09Å; H639-C643 PolarHBondContact O-SG 3.19Å
640F98Very high97.5Very high0 Ų036.3 Ų36.30%017%0.172CC..Hα-helixtrans-60.3-53.9176.6173.1-105.9000110.9L522 M594 L599 F602 M616 K636 V637 K638 L642 C643 Y644L522-F640 HydrophobicContact CD1-CZ 4.2Å; L522-F640 HydrophobicContact CD2-CE2 4.14Å; L522-F640 HydrophobicContact CD2-CZ 4.08Å; L522-F640 HydrophobicContact CG-CE2 4.15Å; L522-F640 HydrophobicContact CG-CZ 4.15Å; M594-F640 HydrophobicContact CE-CB 3.71Å; M594-F640 HydrophobicContact SD-CB 4.15Å; M594-F640 HydrophobicContact SD-CD2 4.41Å; L599-F640 HydrophobicContact CD2-CD2 4.31Å; F602-F640 HydrophobicContact CB-CD1 4.1Å; F602-F640 HydrophobicContact CB-CD2 3.8Å; F602-F640 HydrophobicContact CB-CE1 3.95Å; F602-F640 HydrophobicContact CB-CE2 3.64Å; F602-F640 HydrophobicContact CB-CG 4.03Å; F602-F640 HydrophobicContact CB-CZ 3.72Å; F602-F640 HydrophobicContact CD2-CB 4.12Å; F602-F640 AromaticContact CD2-CD2 3.64Å; F602-F640 HydrophobicContact CD2-CD2 3.64Å; F602-F640 HydrophobicContact CD2-CE2 4.25Å; F602-F640 AromaticContact CD2-CG 3.91Å; F602-F640 HydrophobicContact CD2-CG 3.91Å; F602-F640 HydrophobicContact CE2-CB 4.24Å; F602-F640 HydrophobicContact CE2-CD2 4.46Å; F602-F640 HydrophobicContact CG-CB 4.39Å; F602-F640 HydrophobicContact CG-CD1 4.31Å; F602-F640 AromaticContact CG-CD2 3.93Å; F602-F640 HydrophobicContact CG-CD2 3.93Å; F602-F640 HydrophobicContact CG-CE2 4.28Å; F602-F640 AromaticContact CG-CG 3.94Å; F602-F640 HydrophobicContact CG-CG 3.94Å; M616-F640 HydrophobicContact CE-CD1 4.26Å; M616-F640 HydrophobicContact CE-CE1 3.95Å; M616-F640 HydrophobicContact SD-CD1 4.05Å; M616-F640 HydrophobicContact SD-CE1 4.35Å; K636-F640 PolarHBondContact O-N 3.36Å; V637-F640 PolarHBondContact O-N 2.81Å; K638-F640 VanDerWaalsContact C-N 3.32Å; K638-F640 PolarHBondContact O-N 3.09Å; F640-L642 PolarHBondContact O-N 3.17Å; F640-C643 PolarHBondContact O-N 3.4Å; F640-Y644 VanDerWaalsContact O-CB 3.31Å; F640-Y644 WeakPolarHBondContact O-CB 3.06Å; F640-Y644 PolarHBondContact O-N 3.05Å
641F98.4Very high97.6Very high8 Ų836.6 Ų36.64%0.03517%0.173CC..Hα-helixtrans-69.6-33.6-176.5-87.1-78.2000113.3P613 M616 V637 K638 Y644 A645 W681 F685P613-F641 VanDerWaalsContact CA-CE2 3.44Å; P613-F641 HydrophobicContact CB-CD2 3.79Å; P613-F641 HydrophobicContact CB-CE2 4.05Å; P613-F641 HydrophobicContact CB-CG 4.13Å; P613-F641 HydrophobicContact CG-CB 4.28Å; P613-F641 HydrophobicContact CG-CD1 3.79Å; P613-F641 HydrophobicContact CG-CD2 3.81Å; P613-F641 HydrophobicContact CG-CE1 4.02Å; P613-F641 HydrophobicContact CG-CE2 4.04Å; P613-F641 HydrophobicContact CG-CG 3.69Å; P613-F641 HydrophobicContact CG-CZ 4.15Å; M616-F641 HydrophobicContact CB-CE2 4.24Å; M616-F641 HydrophobicContact CE-CE2 3.68Å; M616-F641 HydrophobicContact CE-CZ 3.87Å; M616-F641 HydrophobicContact SD-CD2 4.4Å; M616-F641 HydrophobicContact SD-CE2 3.61Å; M616-F641 HydrophobicContact SD-CZ 4.41Å; V637-F641 HydrophobicContact CG1-CD2 4Å; V637-F641 HydrophobicContact CG1-CE2 4.28Å; V637-F641 WeakPolarHBondContact O-CD2 3.37Å; V637-F641 PolarHBondContact O-N 2.93Å; V637-F641 VanDerWaalsContact O-N 3.11Å; K638-F641 PolarHBondContact O-N 3.19Å; F641-Y644 HydrophobicContact CD1-CD1 4.37Å; F641-A645 WeakPolarHBondContact O-CB 3.32Å; F641-A645 PolarHBondContact O-N 2.69Å; F641-W681 VanDerWaalsContact C-NE1 3.32Å; F641-W681 HydrophobicContact CD1-CH2 4.36Å; F641-W681 AromaticContact CD1-CZ2 3.99Å; F641-W681 HydrophobicContact CD1-CZ2 3.99Å; F641-W681 PolarHBondContact O-NE1 3.49Å; F641-F685 HydrophobicContact CB-CE1 4Å; F641-F685 HydrophobicContact CB-CZ 4.05Å
642L97.9Very high97.6Very high68 Ų6832.5 Ų32.536%0.35616%0.159SC..Hα-helixtrans-58.6-52169.5170.461.6000110.7K638 F640 A645 I646 P679K638-L642 VanDerWaalsContact O-CB 3.24Å; K638-L642 WeakPolarHBondContact O-CB 3.45Å; K638-L642 PolarHBondContact O-N 2.86Å; F640-L642 PolarHBondContact O-N 3.17Å; L642-A645 PolarHBondContact O-N 2.74Å; L642-I646 HydrophobicContact CD1-CG2 4.28Å; L642-I646 PolarHBondContact O-N 3.02Å; L642-P679 HydrophobicContact CD1-CB 4.08Å; L642-P679 VanDerWaalsContact CD1-O 3.29Å; L642-P679 WeakPolarHBondContact CD1-O 3.48Å
643C97.3Very high97.6Very high9 Ų931.1 Ų31.16%0.06116%0.157CC..Hα-helixtrans-67.1-41.7-177.1-74.10000113.2R523 H639 F640 A645 I646 N647R523-C643 VanDerWaalsContact CZ-CB 3.49Å; R523-C643 PolarHBondContact NH2-SG 3.02Å; H639-C643 PolarHBondContact CE1-SG 3.11Å; H639-C643 PolarHBondContact ND1-SG 2.71Å; H639-C643 VanDerWaalsContact ND1-SG 3.42Å; H639-C643 VanDerWaalsContact O-CB 3.26Å; H639-C643 WeakPolarHBondContact O-CB 3.48Å; H639-C643 PolarHBondContact O-N 3.09Å; H639-C643 PolarHBondContact O-SG 3.19Å; F640-C643 PolarHBondContact O-N 3.4Å; C643-A645 VanDerWaalsContact C-N 3.35Å; C643-I646 WeakPolarHBondContact O-CG1 3.45Å; C643-N647 WeakPolarHBondContact O-CB 3.29Å; C643-N647 PolarHBondContact O-N 3.01Å; C643-N647 PolarHBondContact O-ND2 2.8Å
644Y97.5Very high97.6Very high4 Ų431.8 Ų31.82%0.01616%0.16CC..Hα-helixtrans-58-46.9170.8163.4-96.1000111L522 R606 F640 F641 N647 R648 R673 Y677 W681L522-Y644 HydrophobicContact CD1-CD2 4.14Å; L522-Y644 HydrophobicContact CD1-CE2 4.46Å; R606-Y644 VanDerWaalsContact NH2-CZ 3.32Å; R606-Y644 PolarHBondContact NH2-OH 3.08Å; F640-Y644 VanDerWaalsContact O-CB 3.31Å; F640-Y644 WeakPolarHBondContact O-CB 3.06Å; F640-Y644 PolarHBondContact O-N 3.05Å; F641-Y644 HydrophobicContact CD1-CD1 4.37Å; Y644-N647 PolarHBondContact O-N 3.09Å; Y644-R648 PolarHBondContact O-N 2.76Å; Y644-R673 WeakPolarHBondContact OH-CG 3.35Å; Y644-Y677 HydrophobicContact CD1-CE2 4.32Å; Y644-Y677 HydrophobicContact CE1-CD2 4.27Å; Y644-Y677 AromaticContact CE1-CE2 3.4Å; Y644-Y677 HydrophobicContact CE1-CE2 3.4Å; Y644-Y677 VanDerWaalsContact CE1-CE2 3.4Å; Y644-Y677 AromaticContact CE1-CZ 3.67Å; Y644-Y677 AromaticContact CZ-CE2 3.8Å; Y644-Y677 PolarHBondContact OH-OH 3.46Å; Y644-W681 HydrophobicContact CD1-CZ2 4.24Å; Y644-W681 HydrophobicContact CE1-CZ2 4.35Å
645A97.9Very high97.6Very high5 Ų532 Ų324%0.04116%0.162CC..Hα-helixtrans-64.2-47-176.900000113.3F641 L642 C643 N647 Y677 P679 W681F641-A645 WeakPolarHBondContact O-CB 3.32Å; F641-A645 PolarHBondContact O-N 2.69Å; L642-A645 PolarHBondContact O-N 2.74Å; C643-A645 VanDerWaalsContact C-N 3.35Å; A645-N647 VanDerWaalsContact C-N 3.31Å; A645-N647 PolarHBondContact O-N 3.49Å; A645-Y677 HydrophobicContact CB-CD2 4.1Å; A645-Y677 HydrophobicContact CB-CG 4.16Å; A645-P679 HydrophobicContact CB-CB 4.13Å; A645-W681 HydrophobicContact CB-CZ2 3.93Å
646I97.7Very high97.6Very high82 Ų8230.2 Ų30.242%0.42116%0.158SC..Hα-helixtrans-69.2-29.4-179.965.2-176.6000112.4L642 C643 H649 P679L642-I646 HydrophobicContact CD1-CG2 4.28Å; L642-I646 PolarHBondContact O-N 3.02Å; C643-I646 WeakPolarHBondContact O-CG1 3.45Å; I646-H649 PolarHBondContact O-CE1 2.86Å; I646-H649 PolarHBondContact O-ND1 3.42Å; I646-P679 HydrophobicContact CG2-CB 3.45Å; I646-P679 VanDerWaalsContact CG2-CB 3.45Å; I646-P679 HydrophobicContact CG2-CG 4.13Å
647N98Very high97.6Very high24 Ų2428.3 Ų28.313%0.12815%0.151CC..Hα-helixtrans-98.2-7.3-175.9-65.6-67.3000115C643 Y644 A645 H649 K650C643-N647 WeakPolarHBondContact O-CB 3.29Å; C643-N647 PolarHBondContact O-N 3.01Å; C643-N647 PolarHBondContact O-ND2 2.8Å; Y644-N647 PolarHBondContact O-N 3.09Å; A645-N647 VanDerWaalsContact C-N 3.31Å; A645-N647 PolarHBondContact O-N 3.49Å; N647-H649 PolarHBondContact O-N 3.29Å; N647-K650 HydrophobicContact CB-CD 4.23Å; N647-K650 VanDerWaalsContact O-CB 3.31Å; N647-K650 WeakPolarHBondContact O-CB 3.38Å; N647-K650 WeakPolarHBondContact O-CG 3.43Å; N647-K650 PolarHBondContact O-N 2.87Å; N647-K650 WeakPolarHBondContact OD1-CE 3.46Å; N647-K650 PolarHBondContact OD1-NZ 3.48Å
648R97.9Very high97.6Very high3 Ų328.4 Ų28.41%0.01115%0.152CC..G310 helixtrans-55-31.8-176.5-175.558.9-178.3-170.13.6113.6Y644 K650 M651 P665 D667 D671 P674 F675 Y677Y644-R648 PolarHBondContact O-N 2.76Å; R648-K650 PolarHBondContact O-N 3Å; R648-M651 WeakPolarHBondContact O-CB 3.47Å; R648-M651 PolarHBondContact O-N 2.91Å; R648-P665 VanDerWaalsContact CZ-O 3.23Å; R648-P665 PolarHBondContact NH1-O 2.65Å; R648-P665 PolarHBondContact NH2-O 3.23Å; R648-D667 IonicContact CZ-OD1 2.75Å; R648-D667 IonicContact NE-OD1 3.83Å; R648-D667 IonicContact NH2-OD1 3.84Å; R648-D667 PolarHBondContact NH2-OD1 3.26Å; R648-D671 IonicContact NH1-OD2 2.8Å; R648-D671 PolarHBondContact NH2-O 3.03Å; R648-P674 WeakPolarHBondContact CG-O 3.33Å; R648-F675 HydrophobicContact CG-CB 4.25Å; R648-Y677 HydrophobicContact CB-CD2 4.3Å; R648-Y677 HydrophobicContact CB-CE2 4.13Å; R648-Y677 HydrophobicContact CG-CE2 4.12Å
649H98.1Very high97.6Very high71 Ų7127.3 Ų27.333%0.32915%0.147SC..G310 helixtrans-58.4-7.7172.879-89.6000115.3K528 I646 N647 T652K528-H649 PolarHBondContact NZ-O 3.01Å; I646-H649 PolarHBondContact O-CE1 2.86Å; I646-H649 PolarHBondContact O-ND1 3.42Å; N647-H649 PolarHBondContact O-N 3.29Å; H649-T652 PolarHBondContact O-OG1 3.12Å; H649-T652 VanDerWaalsContact O-OG1 3.11Å
650K98Very high97.6Very high30 Ų3024.4 Ų24.413%0.1313%0.134CC..G310 helixtrans-83.6-36.7171.1-59.9-179.2-173.5178.50111.9G524 L526 K528 N647 R648 T652 V653 L654G524-K650 PolarHBondContact O-NZ 2.88Å; L526-K650 HydrophobicContact CD1-CB 4.19Å; L526-K650 HydrophobicContact CD1-CD 3.82Å; L526-K650 HydrophobicContact CD1-CG 4.47Å; L526-K650 HydrophobicContact CG-CD 4.33Å; L526-K650 PolarHBondContact O-NZ 3.15Å; K528-K650 HydrophobicContact CB-CG 4.4Å; N647-K650 HydrophobicContact CB-CD 4.23Å; N647-K650 VanDerWaalsContact O-CB 3.31Å; N647-K650 WeakPolarHBondContact O-CB 3.38Å; N647-K650 WeakPolarHBondContact O-CG 3.43Å; N647-K650 PolarHBondContact O-N 2.87Å; N647-K650 WeakPolarHBondContact OD1-CE 3.46Å; N647-K650 PolarHBondContact OD1-NZ 3.48Å; R648-K650 PolarHBondContact O-N 3Å; K650-T652 PolarHBondContact O-N 3.14Å; K650-V653 PolarHBondContact O-N 3.31Å; K650-L654 PolarHBondContact O-N 3.17Å
651M97.1Very high97.4Very high10 Ų1024.5 Ų24.55%0.04913%0.134CC..G310 helixtrans-63.1-29.2-178.8-68.8-55.6-49.100113.2R648 V653 L654 P665 D667R648-M651 WeakPolarHBondContact O-CB 3.47Å; R648-M651 PolarHBondContact O-N 2.91Å; M651-V653 PolarHBondContact O-N 2.96Å; M651-L654 HydrophobicContact CE-CB 4.22Å; M651-L654 HydrophobicContact CE-CD2 3.56Å; M651-L654 PolarHBondContact O-N 3.15Å; M651-L654 HydrophobicContact SD-CD2 3.74Å; M651-P665 HydrophobicContact CE-CB 4.14Å; M651-P665 HydrophobicContact CE-CG 3.83Å; M651-P665 HydrophobicContact SD-CB 4.38Å; M651-P665 HydrophobicContact SD-CG 4.18Å; M651-D667 HydrophobicContact CB-CB 4.33Å
652T97Very high97.2Very high47 Ų4724.9 Ų24.929%0.28814%0.138SC..G310 helixtrans-63.2-9.6178.862.10000114.5H649 K650 D667 F675H649-T652 PolarHBondContact O-OG1 3.12Å; H649-T652 VanDerWaalsContact O-OG1 3.11Å; K650-T652 PolarHBondContact O-N 3.14Å; T652-D667 WeakPolarHBondContact CG2-OD2 3.29Å; T652-F675 HydrophobicContact CG2-CB 3.72Å; T652-F675 HydrophobicContact CG2-CD1 3.94Å; T652-F675 HydrophobicContact CG2-CG 3.91Å
653V96.3Very high97.2Very high59 Ų5921.7 Ų21.736%0.35812%0.121SC..G310 helixtrans-140.718.4177.4-56.60000112.3K528 Y529 K650 M651K528-V653 HydrophobicContact CD-CG2 4.4Å; K528-V653 HydrophobicContact CG-CG2 4.38Å; Y529-V653 HydrophobicContact CE1-CB 4.28Å; Y529-V653 HydrophobicContact CE1-CG2 3.7Å; K650-V653 PolarHBondContact O-N 3.31Å; M651-V653 PolarHBondContact O-N 2.96Å
654L96.2Very high97.1Very high15 Ų1521.4 Ų21.48%0.07912%0.12CC..  trans-75.2143.4178-171.170.4000110.1S521 L526 S532 K650 M651S521-L654 WeakPolarHBondContact OG-CD2 3.4Å; L526-L654 HydrophobicContact CD1-CD1 4.47Å; L526-L654 HydrophobicContact CD2-CD1 3.83Å; S532-L654 WeakPolarHBondContact O-CD1 3.34Å; K650-L654 PolarHBondContact O-N 3.17Å; M651-L654 HydrophobicContact CE-CB 4.22Å; M651-L654 HydrophobicContact CE-CD2 3.56Å; M651-L654 PolarHBondContact O-N 3.15Å; M651-L654 HydrophobicContact SD-CD2 3.74Å
655T97.9Very high97.1Very high6 Ų621.3 Ų21.34%0.03712%0.119CC..  trans-45.4131.2179-55.70000113.6S532 S533 A534 I536 N537 S657S532-T655 PolarHBondContact O-OG1 3.34Å; S533-T655 WeakPolarHBondContact CA-OG1 3.11Å; A534-T655 HydrophobicContact CB-CG2 4.11Å; A534-T655 PolarHBondContact N-OG1 2.92Å; A534-T655 WeakPolarHBondContact O-CG2 3.27Å; A534-T655 PolarHBondContact O-OG1 3.35Å; I536-T655 VanDerWaalsContact CA-CG2 3.48Å; N537-T655 HydrophobicContact CB-CG2 3.75Å; T655-S657 PolarHBondContact O-N 2.96Å; T655-S657 VanDerWaalsContact O-N 3.08Å; T655-S657 PolarHBondContact O-OG 3.36Å
656P97.7Very high97.1Very high58 Ų5821.7 Ų21.738%0.37712%0.121SC..  trans-50116.6169.7-2836.2000111.4I536 N537I536-P656 WeakPolarHBondContact CA-O 3.48Å; N537-P656 PolarHBondContact N-O 3.32Å
657S97.5Very high97Very high10 Ų1019.1 Ų19.17%0.0711%0.108CC..BIsolated β-bridgetrans-117139-172.5-57.30000110.8R239 N537 T655 H659R239-S657 PolarHBondContact NH1-O 3.05Å; N537-S657 WeakPolarHBondContact CB-OG 3.46Å; N537-S657 PolarHBondContact ND2-OG 3.4Å; N537-S657 VanDerWaalsContact O-CA 3.26Å; N537-S657 WeakPolarHBondContact O-CA 3.41Å; T655-S657 PolarHBondContact O-N 2.96Å; T655-S657 VanDerWaalsContact O-N 3.08Å; T655-S657 PolarHBondContact O-OG 3.36Å; S657-H659 PolarHBondContact O-N 3.48Å
658V97.2Very high96.9Very high1 Ų121.3 Ų21.31%0.00612%0.12CC..  trans-55.5133.1177.569.70000110.4R239 P336 W339 N537 P538 G541R239-V658 CarbonylContact O-C 3.58Å; R239-V658 VanDerWaalsContact O-CA 3.32Å; R239-V658 WeakPolarHBondContact O-CA 3.34Å; P336-V658 HydrophobicContact CB-CG1 4.31Å; P336-V658 HydrophobicContact CG-CG1 4.27Å; W339-V658 HydrophobicContact CB-CG2 4.01Å; W339-V658 HydrophobicContact CD2-CB 3.81Å; W339-V658 HydrophobicContact CD2-CG2 3.71Å; W339-V658 HydrophobicContact CE3-CB 3.73Å; W339-V658 HydrophobicContact CE3-CG2 4.07Å; W339-V658 HydrophobicContact CG-CB 4.32Å; W339-V658 HydrophobicContact CG-CG2 3.66Å; W339-V658 HydrophobicContact CH2-CB 4.41Å; W339-V658 HydrophobicContact CZ3-CB 4.03Å; N537-V658 PolarHBondContact O-N 2.95Å; N537-V658 VanDerWaalsContact O-N 3.14Å; P538-V658 VanDerWaalsContact O-CG1 3.23Å; P538-V658 WeakPolarHBondContact O-CG1 3.32Å; G541-V658 WeakPolarHBondContact CA-O 3.49Å
659H98Very high96.7Very high0 Ų024.4 Ų24.40%013%0.131CC..  trans-76130.4178.1-165.878000110.6N122 Y203 R239 V240 S657 F670N122-H659 PolarHBondContact ND2-CE1 3.02Å; N122-H659 PolarHBondContact ND2-ND1 2.72Å; Y203-H659 AromaticContact CD2-CD2 3.71Å; Y203-H659 AromaticContact CE2-CD2 3.39Å; Y203-H659 WeakPolarHBondContact CE2-CD2 3.45Å; Y203-H659 AromaticContact CE2-NE2 3.56Å; R239-H659 PolarHBondContact O-N 2.96Å; V240-H659 HydrophobicContact CG1-CB 4.14Å; S657-H659 PolarHBondContact O-N 3.48Å; H659-F670 AromaticContact CE1-CD2 3.42Å; H659-F670 VanDerWaalsContact CE1-CD2 3.42Å; H659-F670 WeakPolarHBondContact CE1-CD2 3.37Å; H659-F670 AromaticContact CE1-CE2 3.51Å; H659-F670 AromaticContact CE1-CG 3.69Å; H659-F670 AromaticContact CE1-CZ 3.85Å; H659-F670 AromaticContact NE2-CE2 3.81Å
660A97.3Very high96.7Very high2 Ų221.8 Ų21.82%0.01712%0.119CC..  trans-150.6-64.1178.700000111.6E205 L206 I542 S662E205-A660 CarbonylContact C-O 3.57Å; E205-A660 WeakPolarHBondContact CA-O 3.39Å; L206-A660 HydrophobicContact CB-CB 4.35Å; L206-A660 PolarHBondContact N-O 2.9Å; I542-A660 HydrophobicContact CG1-CB 4.15Å; A660-S662 PolarHBondContact O-N 3.17Å
661E95.7Very high96.6Very high2 Ų220.5 Ų20.51%0.00911%0.113CC..  trans-75.4124.8176-79.6-69.1174.100112R207 G541 Y663 S664R207-E661 IonicContact CZ-OE1 3.84Å; R207-E661 VanDerWaalsContact CZ-OE1 3.23Å; R207-E661 IonicContact NH1-OE1 2.86Å; R207-E661 PolarHBondContact NH1-OE1 3.48Å; R207-E661 IonicContact NH1-OE2 2.98Å; R207-E661 IonicContact NH2-OE1 2.79Å; R207-E661 PolarHBondContact NH2-OE1 3.27Å; G541-E661 WeakPolarHBondContact O-CA 3.46Å; G541-E661 WeakPolarHBondContact O-CB 3.45Å; G541-E661 WeakPolarHBondContact O-CG 3.32Å; G541-E661 PolarHBondContact O-N 3.49Å; E661-Y663 HydrophobicContact CB-CD1 3.81Å; E661-Y663 HydrophobicContact CB-CE1 3.79Å; E661-Y663 HydrophobicContact CG-CD1 4.19Å; E661-Y663 HydrophobicContact CG-CE1 3.7Å; E661-Y663 PolarHBondContact O-N 3.36Å; E661-Y663 WeakPolarHBondContact OE2-CD1 3.5Å; E661-Y663 WeakPolarHBondContact OE2-CE1 3.41Å; E661-S664 WeakPolarHBondContact O-CB 3.38Å; E661-S664 PolarHBondContact O-N 2.92Å
662S93.6Very high96.5Very high17 Ų1725.2 Ų25.212%0.11914%0.135CC..THydrogen-bonded Turntrans-67.16.3177.859.80000114.6E205 Q608 A660 F670E205-S662 WeakPolarHBondContact OE1-CB 3.46Å; Q608-S662 PolarHBondContact NE2-OG 3.45Å; A660-S662 PolarHBondContact O-N 3.17Å; S662-F670 WeakPolarHBondContact O-CE1 3.3Å; S662-F670 WeakPolarHBondContact O-CZ 3.46Å
663Y96.6Very high96.5Very high0 Ų026.9 Ų26.90%014%0.136CC..THydrogen-bonded Turntrans-111.611.7169.973.8-89.4000114.4V518 D519 S543 S600 R604 E661V518-Y663 HydrophobicContact CG1-CE1 4.44Å; V518-Y663 HydrophobicContact CG1-CE2 3.73Å; V518-Y663 WeakPolarHBondContact CG1-OH 3.34Å; V518-Y663 HydrophobicContact CG2-CE2 4.44Å; D519-Y663 PolarHBondContact OD1-OH 3.2Å; S543-Y663 WeakPolarHBondContact CB-OH 3.27Å; S600-Y663 WeakPolarHBondContact CB-OH 3.28Å; S600-Y663 PolarHBondContact OG-OH 3.23Å; R604-Y663 HydrophobicContact CG-CD1 3.73Å; R604-Y663 HydrophobicContact CG-CE1 4.12Å; R604-Y663 HydrophobicContact CG-CG 4.12Å; E661-Y663 HydrophobicContact CB-CD1 3.81Å; E661-Y663 HydrophobicContact CB-CE1 3.79Å; E661-Y663 HydrophobicContact CG-CD1 4.19Å; E661-Y663 HydrophobicContact CG-CE1 3.7Å; E661-Y663 PolarHBondContact O-N 3.36Å; E661-Y663 WeakPolarHBondContact OE2-CD1 3.5Å; E661-Y663 WeakPolarHBondContact OE2-CE1 3.41Å
664S96.2Very high96.6Very high4 Ų427.8 Ų27.83%0.02814%0.143CC..  trans-46135.1-177.7-175.30000113.6E661 F670 D671E661-S664 WeakPolarHBondContact O-CB 3.38Å; E661-S664 PolarHBondContact O-N 2.92Å; S664-F670 WeakPolarHBondContact O-CD1 3.16Å; S664-D671 WeakPolarHBondContact O-CB 3.02Å
665P97.3Very high96.7Very high1 Ų133 Ų331%0.00617%0.165CC..  trans-86.82.7-179.935.7-37.3000113.8V518 L522 R648 M651 D667V518-P665 VanDerWaalsContact CG2-CD 3.42Å; V518-P665 HydrophobicContact CG2-CG 4.44Å; L522-P665 HydrophobicContact CB-CB 4.12Å; L522-P665 HydrophobicContact CB-CG 4.11Å; L522-P665 HydrophobicContact CD1-CB 4.15Å; R648-P665 VanDerWaalsContact CZ-O 3.23Å; R648-P665 PolarHBondContact NH1-O 2.65Å; R648-P665 PolarHBondContact NH2-O 3.23Å; M651-P665 HydrophobicContact CE-CB 4.14Å; M651-P665 HydrophobicContact CE-CG 3.83Å; M651-P665 HydrophobicContact SD-CB 4.38Å; M651-P665 HydrophobicContact SD-CG 4.18Å; P665-D667 PolarHBondContact O-N 3.4Å
666D97.2Very high96.7Very high13 Ų1339.9 Ų39.97%0.0720%0.202CC..  trans-50.4131.4-175.5159.7-108.6000113.7R239 N668 R669 F670 D671R239-D666 IonicContact CZ-OD1 2.69Å; R239-D666 IonicContact NE-OD1 3.18Å; R239-D666 IonicContact NH1-OD1 3.99Å; R239-D666 IonicContact NH2-OD1 3.67Å; R239-D666 PolarHBondContact NH2-OD1 2.82Å; D666-N668 PolarHBondContact OD1-N 3.27Å; D666-N668 VanDerWaalsContact OD2-CB 3.32Å; D666-N668 WeakPolarHBondContact OD2-CB 3.49Å; D666-N668 PolarHBondContact OD2-N 3.1Å; D666-N668 PolarHBondContact OD2-ND2 2.92Å; D666-R669 PolarHBondContact OD1-N 3.44Å; D666-F670 PolarHBondContact OD1-N 2.97Å; D666-D671 CarbonylContact O-C 3.59Å; D666-D671 WeakPolarHBondContact O-CA 3.39Å; D666-D671 WeakPolarHBondContact O-CB 3.29Å; D666-D671 PolarHBondContact O-N 3.25Å
667D96.6Very high96.7Very high28 Ų2839.4 Ų39.415%0.1519%0.192CC..THydrogen-bonded Turntrans-93.1-10-177.8-150.349.2000113R648 M651 T652 P665 H672 R673R648-D667 IonicContact CZ-OD1 2.75Å; R648-D667 IonicContact NE-OD1 3.83Å; R648-D667 IonicContact NH2-OD1 3.84Å; R648-D667 PolarHBondContact NH2-OD1 3.26Å; M651-D667 HydrophobicContact CB-CB 4.33Å; T652-D667 WeakPolarHBondContact CG2-OD2 3.29Å; P665-D667 PolarHBondContact O-N 3.4Å; D667-H672 PolarHBondContact O-CD2 3.03Å; D667-R673 PolarHBondContact OD1-N 3.05Å; D667-R673 VanDerWaalsContact OD1-N 3.1Å
668N95.3Very high96.7Very high71 Ų7146.7 Ų46.738%0.3822%0.218SC..THydrogen-bonded Turntrans-80.9-39.9-176.5-60.4-82.4000112.7D666 H672D666-N668 PolarHBondContact OD1-N 3.27Å; D666-N668 VanDerWaalsContact OD2-CB 3.32Å; D666-N668 WeakPolarHBondContact OD2-CB 3.49Å; D666-N668 PolarHBondContact OD2-N 3.1Å; D666-N668 PolarHBondContact OD2-ND2 2.92Å; N668-H672 PolarHBondContact O-NE2 3.43Å; N668-H672 VanDerWaalsContact O-NE2 3.14Å
669R94.8Very high96.6Very high68 Ų6849.1 Ų49.126%0.25723%0.234SC..THydrogen-bonded Turntrans-130.8-55.9-179.6-68.2-62.8178.7-742.9113.3E54 N122 R124 D666E54-R669 VanDerWaalsContact CD-NE 3.32Å; E54-R669 VanDerWaalsContact CD-NH2 3.3Å; E54-R669 IonicContact OE1-CZ 2.95Å; E54-R669 IonicContact OE1-NE 2.99Å; E54-R669 PolarHBondContact OE1-NE 2.97Å; E54-R669 IonicContact OE1-NH2 3.21Å; E54-R669 IonicContact OE2-CZ 2.8Å; E54-R669 VanDerWaalsContact OE2-CZ 3.23Å; E54-R669 IonicContact OE2-NE 3.48Å; E54-R669 PolarHBondContact OE2-NE 2.89Å; E54-R669 VanDerWaalsContact OE2-NE 3.1Å; E54-R669 IonicContact OE2-NH2 3.61Å; E54-R669 PolarHBondContact OE2-NH2 3.42Å; N122-R669 HydrophobicContact CB-CB 4.42Å; N122-R669 WeakPolarHBondContact OD1-CB 3.44Å; R124-R669 VanDerWaalsContact CZ-CD 3.43Å; R124-R669 PolarHBondContact NH2-O 3.23Å; D666-R669 PolarHBondContact OD1-N 3.44Å
670F96.8Very high96.5Very high15 Ų1552.7 Ų52.77%0.06625%0.253CS..THydrogen-bonded Turntrans-85.8-31.8-158.6-174.7-103.6000115.4G121 K607 H659 S662 S664 D666G121-F670 VanDerWaalsContact C-CD2 3.45Å; G121-F670 VanDerWaalsContact CA-CD2 3.49Å; G121-F670 WeakPolarHBondContact O-CA 3.3Å; K607-F670 HydrophobicContact CD-CE1 4.27Å; K607-F670 VanDerWaalsContact CE-CD1 3.48Å; K607-F670 HydrophobicContact CG-CE1 4.04Å; K607-F670 PolarHBondContact NZ-O 3.47Å; H659-F670 AromaticContact CE1-CD2 3.42Å; H659-F670 VanDerWaalsContact CE1-CD2 3.42Å; H659-F670 WeakPolarHBondContact CE1-CD2 3.37Å; H659-F670 AromaticContact CE1-CE2 3.51Å; H659-F670 AromaticContact CE1-CG 3.69Å; H659-F670 AromaticContact CE1-CZ 3.85Å; H659-F670 AromaticContact NE2-CE2 3.81Å; S662-F670 WeakPolarHBondContact O-CE1 3.3Å; S662-F670 WeakPolarHBondContact O-CZ 3.46Å; S664-F670 WeakPolarHBondContact O-CD1 3.16Å; D666-F670 PolarHBondContact OD1-N 2.97Å
671D97Very high96.5Very high3 Ų354.2 Ų54.22%0.01626%0.258CS..  trans-138.564.8-173.7-168.748.5000111.2R606 K607 R648 S664 D666 R673R606-D671 IonicContact CZ-OD2 3.15Å; R606-D671 IonicContact NH1-OD1 2.76Å; R606-D671 IonicContact NH1-OD2 2.73Å; R606-D671 PolarHBondContact NH1-OD2 3.4Å; R606-D671 IonicContact NH2-OD2 3.87Å; R606-D671 PolarHBondContact NH2-OD2 2.86Å; K607-D671 HydrophobicContact CD-CB 4.42Å; K607-D671 WeakPolarHBondContact CD-OD1 3.23Å; K607-D671 WeakPolarHBondContact CE-OD1 3.36Å; K607-D671 IonicContact NZ-OD1 3.58Å; K607-D671 PolarHBondContact NZ-OD1 3.26Å; R648-D671 IonicContact NH1-OD2 2.8Å; R648-D671 PolarHBondContact NH2-O 3.03Å; S664-D671 WeakPolarHBondContact O-CB 3.02Å; D666-D671 CarbonylContact O-C 3.59Å; D666-D671 WeakPolarHBondContact O-CA 3.39Å; D666-D671 WeakPolarHBondContact O-CB 3.29Å; D666-D671 PolarHBondContact O-N 3.25Å; D671-R673 WeakPolarHBondContact O-CG 3.45Å; D671-R673 PolarHBondContact O-N 3.44Å; D671-R673 IonicContact OD1-CZ 3.23Å; D671-R673 VanDerWaalsContact OD1-CZ 3.28Å; D671-R673 IonicContact OD1-NE 3.76Å; D671-R673 PolarHBondContact OD1-NE 3.03Å; D671-R673 IonicContact OD1-NH2 2.76Å; D671-R673 PolarHBondContact OD1-NH2 3.05Å; D671-R673 IonicContact OD2-NE 3.41Å; D671-R673 IonicContact OD2-NH2 2.76Å
672H95.2Very high96.6Very high109 Ų10957 Ų5751%0.50528%0.279SS..  trans-56.2120.3174.1-67.1-179.5000111.5R124 D667 N668R124-H672 PolarHBondContact NH1-CE1 2.93Å; R124-H672 VanDerWaalsContact NH1-CE1 3.29Å; D667-H672 PolarHBondContact O-CD2 3.03Å; N668-H672 PolarHBondContact O-NE2 3.43Å; N668-H672 VanDerWaalsContact O-NE2 3.14Å
673R97.3Very high96.8Very high82 Ų8266.3 Ų66.331%0.30931%0.311SS..  trans-143.2156-179.9-60.2-70.2179.7146.77.6111.6Y644 D667 D671 F675Y644-R673 WeakPolarHBondContact OH-CG 3.35Å; D667-R673 PolarHBondContact OD1-N 3.05Å; D667-R673 VanDerWaalsContact OD1-N 3.1Å; D671-R673 WeakPolarHBondContact O-CG 3.45Å; D671-R673 PolarHBondContact O-N 3.44Å; D671-R673 IonicContact OD1-CZ 3.23Å; D671-R673 VanDerWaalsContact OD1-CZ 3.28Å; D671-R673 IonicContact OD1-NE 3.76Å; D671-R673 PolarHBondContact OD1-NE 3.03Å; D671-R673 IonicContact OD1-NH2 2.76Å; D671-R673 PolarHBondContact OD1-NH2 3.05Å; D671-R673 IonicContact OD2-NE 3.41Å; D671-R673 IonicContact OD2-NH2 2.76Å; R673-F675 PolarHBondContact O-N 2.99Å
674P97.8Very high96.9Very high79 Ų7969.7 Ų69.751%0.51333%0.327SS..  trans-56.2137.6164.7-22.733.3000111.3R648 Y677R648-P674 WeakPolarHBondContact CG-O 3.33Å; P674-Y677 HydrophobicContact CB-CD1 4.49Å; P674-Y677 HydrophobicContact CB-CE1 4.09Å; P674-Y677 HydrophobicContact CG-CE1 4.26Å; P674-Y677 WeakPolarHBondContact O-CE2 3.37Å; P674-Y677 VanDerWaalsContact O-CZ 3.29Å
675F97.5Very high97Very high123 Ų12370.8 Ų70.854%0.53933%0.331SS..SBendtrans-99.1-12.1172.762.1-96.5000113.7R648 T652 R673R648-F675 HydrophobicContact CG-CB 4.25Å; T652-F675 HydrophobicContact CG2-CB 3.72Å; T652-F675 HydrophobicContact CG2-CD1 3.94Å; T652-F675 HydrophobicContact CG2-CG 3.91Å; R673-F675 PolarHBondContact O-N 2.99Å
676L98Very high97.1Very high152 Ų15276.4 Ų76.480%0.79636%0.356SS*.SBendtrans-108.885.2174.5-178.560.9000109.6
677Y98Very high97.1Very high47 Ų4777 Ų7718%0.18436%0.362CS..  trans-90159.8175.5-73.6-70.3000112.2Y644 A645 R648 P674 P679 W681Y644-Y677 HydrophobicContact CD1-CE2 4.32Å; Y644-Y677 HydrophobicContact CE1-CD2 4.27Å; Y644-Y677 AromaticContact CE1-CE2 3.4Å; Y644-Y677 HydrophobicContact CE1-CE2 3.4Å; Y644-Y677 VanDerWaalsContact CE1-CE2 3.4Å; Y644-Y677 AromaticContact CE1-CZ 3.67Å; Y644-Y677 AromaticContact CZ-CE2 3.8Å; Y644-Y677 PolarHBondContact OH-OH 3.46Å; A645-Y677 HydrophobicContact CB-CD2 4.1Å; A645-Y677 HydrophobicContact CB-CG 4.16Å; R648-Y677 HydrophobicContact CB-CD2 4.3Å; R648-Y677 HydrophobicContact CB-CE2 4.13Å; R648-Y677 HydrophobicContact CG-CE2 4.12Å; P674-Y677 HydrophobicContact CB-CD1 4.49Å; P674-Y677 HydrophobicContact CB-CE1 4.09Å; P674-Y677 HydrophobicContact CG-CE1 4.26Å; P674-Y677 WeakPolarHBondContact O-CE2 3.37Å; P674-Y677 VanDerWaalsContact O-CZ 3.29Å; Y677-P679 VanDerWaalsContact O-CD 3.32Å; Y677-P679 WeakPolarHBondContact O-CD 3.49Å; Y677-W681 AromaticContact CD1-CH2 3.71Å; Y677-W681 HydrophobicContact CD1-CH2 3.71Å; Y677-W681 HydrophobicContact CD1-CZ2 4.02Å; Y677-W681 HydrophobicContact CD1-CZ3 4.44Å; Y677-W681 AromaticContact CE1-CH2 3.62Å; Y677-W681 HydrophobicContact CE1-CH2 3.62Å; Y677-W681 HydrophobicContact CE1-CZ2 4.21Å; Y677-W681 HydrophobicContact CE1-CZ3 4.46Å; Y677-W681 HydrophobicContact CG-CH2 4.38Å; Y677-W681 HydrophobicContact CG-CZ2 4.23Å
678R97.2Very high97.2Very high164 Ų16475.7 Ų75.762%0.61936%0.355SS*.  trans-83.3104.9158.2-165.4-173.8-161.5-122.716.5108N680 W681 S682R678-N680 PolarHBondContact NH1-ND2 2.57Å; R678-N680 VanDerWaalsContact NH1-ND2 3.13Å; R678-N680 PolarHBondContact NH1-OD1 3.43Å; R678-N680 PolarHBondContact O-N 3.32Å; R678-N680 VanDerWaalsContact O-N 3.12Å; R678-W681 PolarHBondContact O-N 3Å; R678-S682 PolarHBondContact NH1-OG 2.69Å
679P95.1Very high97.4Very high51 Ų5175.1 Ų75.133%0.33135%0.353SS..THydrogen-bonded Turntrans-74-10.8-160.829.8-37.3000114.7L642 A645 I646 Y677L642-P679 HydrophobicContact CD1-CB 4.08Å; L642-P679 VanDerWaalsContact CD1-O 3.29Å; L642-P679 WeakPolarHBondContact CD1-O 3.48Å; A645-P679 HydrophobicContact CB-CB 4.13Å; I646-P679 HydrophobicContact CG2-CB 3.45Å; I646-P679 VanDerWaalsContact CG2-CB 3.45Å; I646-P679 HydrophobicContact CG2-CG 4.13Å; Y677-P679 VanDerWaalsContact O-CD 3.32Å; Y677-P679 WeakPolarHBondContact O-CD 3.49Å
680N95.6Very high97.5Very high76 Ų7675 Ų7541%0.40636%0.357SS..THydrogen-bonded Turntrans-87.8-2.1177.475-6.7000114.4R678 S682 F685R678-N680 PolarHBondContact NH1-ND2 2.57Å; R678-N680 VanDerWaalsContact NH1-ND2 3.13Å; R678-N680 PolarHBondContact NH1-OD1 3.43Å; R678-N680 PolarHBondContact O-N 3.32Å; R678-N680 VanDerWaalsContact O-N 3.12Å; N680-S682 WeakPolarHBondContact O-CA 3.26Å; N680-S682 PolarHBondContact O-N 3.37Å; N680-F685 WeakPolarHBondContact O-CD2 3.17Å
681W98Very high97.6Very high33 Ų3376.5 Ų76.513%0.12536%0.364CS..  trans41.339.2174.7-6194.6000114.6P613 F641 Y644 A645 Y677 R678 W683 Q684 F685P613-W681 HydrophobicContact CG-CD2 4.37Å; P613-W681 HydrophobicContact CG-CE3 4.18Å; F641-W681 VanDerWaalsContact C-NE1 3.32Å; F641-W681 HydrophobicContact CD1-CH2 4.36Å; F641-W681 AromaticContact CD1-CZ2 3.99Å; F641-W681 HydrophobicContact CD1-CZ2 3.99Å; F641-W681 PolarHBondContact O-NE1 3.49Å; Y644-W681 HydrophobicContact CD1-CZ2 4.24Å; Y644-W681 HydrophobicContact CE1-CZ2 4.35Å; A645-W681 HydrophobicContact CB-CZ2 3.93Å; Y677-W681 AromaticContact CD1-CH2 3.71Å; Y677-W681 HydrophobicContact CD1-CH2 3.71Å; Y677-W681 HydrophobicContact CD1-CZ2 4.02Å; Y677-W681 HydrophobicContact CD1-CZ3 4.44Å; Y677-W681 AromaticContact CE1-CH2 3.62Å; Y677-W681 HydrophobicContact CE1-CH2 3.62Å; Y677-W681 HydrophobicContact CE1-CZ2 4.21Å; Y677-W681 HydrophobicContact CE1-CZ3 4.46Å; Y677-W681 HydrophobicContact CG-CH2 4.38Å; Y677-W681 HydrophobicContact CG-CZ2 4.23Å; R678-W681 PolarHBondContact O-N 3Å; W681-W683 PolarHBondContact O-N 3.49Å; W681-Q684 VanDerWaalsContact C-OE1 3.31Å; W681-Q684 HydrophobicContact CB-CB 4.4Å; W681-Q684 PolarHBondContact O-N 3.07Å; W681-Q684 PolarHBondContact O-OE1 3.05Å; W681-Q684 VanDerWaalsContact O-OE1 3.05Å; W681-F685 HydrophobicContact CB-CD1 3.61Å; W681-F685 HydrophobicContact CB-CD2 4.07Å; W681-F685 HydrophobicContact CB-CE1 3.53Å; W681-F685 HydrophobicContact CB-CE2 4.01Å; W681-F685 HydrophobicContact CB-CG 3.87Å; W681-F685 HydrophobicContact CB-CZ 3.74Å; W681-F685 AromaticContact CD1-CE1 3.87Å; W681-F685 AromaticContact CD1-CZ 3.43Å; W681-F685 VanDerWaalsContact CD1-CZ 3.43Å; W681-F685 HydrophobicContact CG-CD1 4.41Å; W681-F685 AromaticContact CG-CE1 3.86Å; W681-F685 HydrophobicContact CG-CE1 3.86Å; W681-F685 HydrophobicContact CG-CE2 4.41Å; W681-F685 AromaticContact CG-CZ 3.85Å; W681-F685 HydrophobicContact CG-CZ 3.85Å; W681-F685 PolarHBondContact O-N 3.22Å
682S97.3Very high97.5Very high62 Ų6276.8 Ų76.843%0.43437%0.367SS..Hα-helixtrans-62.4-23.4-153.561.80000115.9R678 N680 K686R678-S682 PolarHBondContact NH1-OG 2.69Å; N680-S682 WeakPolarHBondContact O-CA 3.26Å; N680-S682 PolarHBondContact O-N 3.37Å; S682-K686 WeakPolarHBondContact O-CB 3.24Å; S682-K686 PolarHBondContact O-N 2.89Å
683W98.4Very high97.5Very high211 Ų21178.4 Ų78.480%0.79938%0.375SS*.Hα-helixtrans-77.9-47.2172.9-170.9-74000111.3W681 K686 A687W681-W683 PolarHBondContact O-N 3.49Å; W683-K686 PolarHBondContact O-N 3.4Å; W683-A687 PolarHBondContact O-N 2.95Å
684Q98.6Very high97.4Very high72 Ų7280 Ų8034%0.33638%0.383SS..Hα-helixtrans-68.1-37.1-179.1-58.884.2-9.600111.8P613 W681 A687 I688P613-Q684 HydrophobicContact CB-CB 4.04Å; P613-Q684 HydrophobicContact CG-CB 3.9Å; P613-Q684 HydrophobicContact CG-CG 4.28Å; W681-Q684 VanDerWaalsContact C-OE1 3.31Å; W681-Q684 HydrophobicContact CB-CB 4.4Å; W681-Q684 PolarHBondContact O-N 3.07Å; W681-Q684 PolarHBondContact O-OE1 3.05Å; W681-Q684 VanDerWaalsContact O-OE1 3.05Å; Q684-A687 PolarHBondContact O-N 3.06Å; Q684-I688 WeakPolarHBondContact O-CG1 3.4Å; Q684-I688 PolarHBondContact O-N 3.4Å; Q684-I688 VanDerWaalsContact O-N 3.15Å
685F98.6Very high97.2Very high26 Ų2678.6 Ų78.611%0.11437%0.371CS..Hα-helixtrans-71.9-40.8175.7-71.91.5000111.5P613 K638 F641 N680 W681 A687 I688 D689P613-F685 HydrophobicContact CB-CD1 4.34Å; P613-F685 HydrophobicContact CB-CE1 4.17Å; P613-F685 HydrophobicContact CG-CE1 4.47Å; K638-F685 HydrophobicContact CB-CD2 4.31Å; K638-F685 HydrophobicContact CB-CE1 4.2Å; K638-F685 HydrophobicContact CB-CE2 3.97Å; K638-F685 HydrophobicContact CB-CZ 3.91Å; K638-F685 HydrophobicContact CD-CD2 4.47Å; K638-F685 HydrophobicContact CG-CB 4.49Å; K638-F685 HydrophobicContact CG-CD1 3.89Å; K638-F685 HydrophobicContact CG-CD2 3.97Å; K638-F685 HydrophobicContact CG-CE1 4.04Å; K638-F685 HydrophobicContact CG-CE2 4.11Å; K638-F685 HydrophobicContact CG-CG 3.87Å; K638-F685 HydrophobicContact CG-CZ 4.15Å; K638-F685 VanDerWaalsContact O-CZ 3.27Å; K638-F685 WeakPolarHBondContact O-CZ 3.37Å; F641-F685 HydrophobicContact CB-CE1 4Å; F641-F685 HydrophobicContact CB-CZ 4.05Å; N680-F685 WeakPolarHBondContact O-CD2 3.17Å; W681-F685 HydrophobicContact CB-CD1 3.61Å; W681-F685 HydrophobicContact CB-CD2 4.07Å; W681-F685 HydrophobicContact CB-CE1 3.53Å; W681-F685 HydrophobicContact CB-CE2 4.01Å; W681-F685 HydrophobicContact CB-CG 3.87Å; W681-F685 HydrophobicContact CB-CZ 3.74Å; W681-F685 AromaticContact CD1-CE1 3.87Å; W681-F685 AromaticContact CD1-CZ 3.43Å; W681-F685 VanDerWaalsContact CD1-CZ 3.43Å; W681-F685 HydrophobicContact CG-CD1 4.41Å; W681-F685 AromaticContact CG-CE1 3.86Å; W681-F685 HydrophobicContact CG-CE1 3.86Å; W681-F685 HydrophobicContact CG-CE2 4.41Å; W681-F685 AromaticContact CG-CZ 3.85Å; W681-F685 HydrophobicContact CG-CZ 3.85Å; W681-F685 PolarHBondContact O-N 3.22Å; F685-A687 VanDerWaalsContact C-N 3.29Å; F685-A687 PolarHBondContact O-N 3.49Å; F685-I688 HydrophobicContact CD1-CD1 4.23Å; F685-I688 WeakPolarHBondContact O-CB 3.49Å; F685-I688 PolarHBondContact O-N 3.11Å; F685-D689 PolarHBondContact O-N 2.69Å
686K98.4Very high96.7Very high119 Ų11976.3 Ų76.352%0.51736%0.362SS..Hα-helixtrans-58.8-41.6170.8-168.9-173.1-178.2-78.90111.6S682 W683 I688 D689 D690S682-K686 WeakPolarHBondContact O-CB 3.24Å; S682-K686 PolarHBondContact O-N 2.89Å; W683-K686 PolarHBondContact O-N 3.4Å; K686-I688 VanDerWaalsContact C-N 3.26Å; K686-I688 PolarHBondContact O-N 2.76Å; K686-D689 PolarHBondContact O-N 3.22Å; K686-D689 VanDerWaalsContact O-N 3.15Å; K686-D690 IonicContact NZ-OD1 2.74Å; K686-D690 PolarHBondContact NZ-OD1 2.88Å; K686-D690 IonicContact NZ-OD2 2.69Å; K686-D690 PolarHBondContact NZ-OD2 3.44Å; K686-D690 WeakPolarHBondContact O-CB 3.16Å; K686-D690 PolarHBondContact O-N 3.48Å
687A98.5Very high96.1Very high26 Ų2674.3 Ų74.322%0.21536%0.359CS..Hα-helixtrans-62.2-33176.200000112.9Y614 W683 Q684 F685 E691Y614-A687 HydrophobicContact CD2-CB 3.79Å; Y614-A687 HydrophobicContact CE2-CB 4.24Å; Y614-A687 VanDerWaalsContact CE2-O 3.24Å; Y614-A687 WeakPolarHBondContact CE2-O 3.44Å; Y614-A687 HydrophobicContact CG-CB 4.37Å; W683-A687 PolarHBondContact O-N 2.95Å; Q684-A687 PolarHBondContact O-N 3.06Å; F685-A687 VanDerWaalsContact C-N 3.29Å; F685-A687 PolarHBondContact O-N 3.49Å; A687-E691 WeakPolarHBondContact O-CB 3.48Å; A687-E691 PolarHBondContact O-N 2.88Å
688I98.6Very high95.5Very high0 Ų078.4 Ų78.40%038%0.382CS..Hα-helixtrans-68.1-46.3171.4-67.7168000110.5P613 Y614 F617 A634 V637 Q684 F685 K686 E691 A692P613-I688 HydrophobicContact CB-CD1 3.91Å; Y614-I688 HydrophobicContact CD2-CG1 4.22Å; F617-I688 HydrophobicContact CB-CD1 4.13Å; F617-I688 HydrophobicContact CB-CG1 3.92Å; F617-I688 HydrophobicContact CB-CG2 4.27Å; F617-I688 HydrophobicContact CD1-CB 4.45Å; F617-I688 HydrophobicContact CD1-CG1 4.25Å; F617-I688 HydrophobicContact CD1-CG2 4.06Å; F617-I688 HydrophobicContact CD2-CG2 3.92Å; F617-I688 HydrophobicContact CE1-CG2 4.42Å; F617-I688 HydrophobicContact CE2-CG2 4.29Å; F617-I688 HydrophobicContact CG-CB 4.47Å; F617-I688 HydrophobicContact CG-CG1 4.16Å; F617-I688 HydrophobicContact CG-CG2 3.79Å; A634-I688 HydrophobicContact CB-CG2 3.42Å; A634-I688 VanDerWaalsContact CB-CG2 3.42Å; V637-I688 HydrophobicContact CG1-CD1 4.07Å; Q684-I688 WeakPolarHBondContact O-CG1 3.4Å; Q684-I688 PolarHBondContact O-N 3.4Å; Q684-I688 VanDerWaalsContact O-N 3.15Å; F685-I688 HydrophobicContact CD1-CD1 4.23Å; F685-I688 WeakPolarHBondContact O-CB 3.49Å; F685-I688 PolarHBondContact O-N 3.11Å; K686-I688 VanDerWaalsContact C-N 3.26Å; K686-I688 PolarHBondContact O-N 2.76Å; I688-E691 PolarHBondContact O-N 3.21Å; I688-A692 WeakPolarHBondContact O-CB 3.37Å; I688-A692 PolarHBondContact O-N 3.45Å
689D98.2Very high94.9Very high60 Ų6073.1 Ų73.132%0.32136%0.363SS..Hα-helixtrans-62.3-50.7179-74.5-53000112K638 F685 K686 E691 A692 E693K638-D689 WeakPolarHBondContact CE-OD2 3.4Å; K638-D689 IonicContact NZ-OD1 2.68Å; K638-D689 PolarHBondContact NZ-OD1 3.47Å; K638-D689 IonicContact NZ-OD2 3.12Å; K638-D689 PolarHBondContact NZ-OD2 2.95Å; F685-D689 PolarHBondContact O-N 2.69Å; K686-D689 PolarHBondContact O-N 3.22Å; K686-D689 VanDerWaalsContact O-N 3.15Å; D689-E691 PolarHBondContact O-N 2.93Å; D689-A692 PolarHBondContact O-N 2.99Å; D689-E693 WeakPolarHBondContact O-CG 3.11Å; D689-E693 PolarHBondContact O-N 3.36Å
690D97.9Very high94Very high64 Ų6476.4 Ų76.434%0.34238%0.382SS..Hα-helixtrans-55.3-23.8176.2-70.6-19.3000112.4K686 K694K686-D690 IonicContact NZ-OD1 2.74Å; K686-D690 PolarHBondContact NZ-OD1 2.88Å; K686-D690 IonicContact NZ-OD2 2.69Å; K686-D690 PolarHBondContact NZ-OD2 3.44Å; K686-D690 WeakPolarHBondContact O-CB 3.16Å; K686-D690 PolarHBondContact O-N 3.48Å; D690-K694 WeakPolarHBondContact O-CE 3.45Å; D690-K694 WeakPolarHBondContact O-CG 3.27Å; D690-K694 PolarHBondContact O-NZ 2.68Å
691E97.7Very high92.7Very high48 Ų4876.7 Ų76.722%0.22439%0.388CS..Hα-helixtrans-99.8-37.9-179.7-165.564.5-155.600112.5Y614 F617 A687 I688 D689 E693 K694 L695Y614-E691 HydrophobicContact CE2-CB 3.94Å; Y614-E691 HydrophobicContact CE2-CG 4.2Å; F617-E691 HydrophobicContact CE1-CB 4.04Å; F617-E691 HydrophobicContact CE1-CG 4.09Å; A687-E691 WeakPolarHBondContact O-CB 3.48Å; A687-E691 PolarHBondContact O-N 2.88Å; I688-E691 PolarHBondContact O-N 3.21Å; D689-E691 PolarHBondContact O-N 2.93Å; E691-E693 VanDerWaalsContact C-N 3.27Å; E691-E693 PolarHBondContact O-N 2.87Å; E691-K694 WeakPolarHBondContact O-CB 3.46Å; E691-K694 PolarHBondContact O-N 3.43Å; E691-K694 VanDerWaalsContact O-N 3.1Å; E691-K694 IonicContact OE2-NZ 3.56Å; E691-K694 PolarHBondContact OE2-NZ 3.35Å; E691-L695 HydrophobicContact CG-CD1 4.41Å; E691-L695 WeakPolarHBondContact O-CG 3.5Å; E691-L695 PolarHBondContact O-N 3.12Å
692A96Very high90.9Very high8 Ų878.8 Ų78.87%0.06641%0.408CS..Hα-helixtrans-59.5-39.5171.500000111.2F617 P630 A634 I688 D689 K694 L695 Q696F617-A692 HydrophobicContact CE2-CB 4.43Å; F617-A692 HydrophobicContact CZ-CB 3.96Å; P630-A692 HydrophobicContact CB-CB 4.46Å; A634-A692 HydrophobicContact CB-CB 4.38Å; I688-A692 WeakPolarHBondContact O-CB 3.37Å; I688-A692 PolarHBondContact O-N 3.45Å; D689-A692 PolarHBondContact O-N 2.99Å; A692-K694 VanDerWaalsContact C-N 3.32Å; A692-K694 PolarHBondContact O-N 2.87Å; A692-L695 PolarHBondContact O-N 3.14Å; A692-Q696 WeakPolarHBondContact O-CB 3.36Å; A692-Q696 PolarHBondContact O-N 2.66Å
693E95.4Very high88.3Confident144 Ų14481.5 Ų81.567%0.67343%0.427SS*.Hα-helixtrans-63.2-32.5173.9-73-174.2176.500113.3D689 E691 P697D689-E693 WeakPolarHBondContact O-CG 3.11Å; D689-E693 PolarHBondContact O-N 3.36Å; E691-E693 VanDerWaalsContact C-N 3.27Å; E691-E693 PolarHBondContact O-N 2.87Å; E693-P697 VanDerWaalsContact O-CD 3.28Å; E693-P697 WeakPolarHBondContact O-CD 3.49Å
694K95.1Very high85.4Confident114 Ų11476 Ų7650%0.49643%0.427SS..Hα-helixtrans-73.1-36.5174.2-61.3-179.2-16191.40112.5D690 E691 A692 P697D690-K694 WeakPolarHBondContact O-CE 3.45Å; D690-K694 WeakPolarHBondContact O-CG 3.27Å; D690-K694 PolarHBondContact O-NZ 2.68Å; E691-K694 WeakPolarHBondContact O-CB 3.46Å; E691-K694 PolarHBondContact O-N 3.43Å; E691-K694 VanDerWaalsContact O-N 3.1Å; E691-K694 IonicContact OE2-NZ 3.56Å; E691-K694 PolarHBondContact OE2-NZ 3.35Å; A692-K694 VanDerWaalsContact C-N 3.32Å; A692-K694 PolarHBondContact O-N 2.87Å; K694-P697 WeakPolarHBondContact O-CD 3.5Å
695L93.4Very high82.5Confident50 Ų5081.5 Ų81.526%0.26245%0.452SS..Hα-helixtrans-79.7-28.9-177.8-66.8173.3000112.4F617 V621 P630 E691 A692 I698 Y699F617-L695 HydrophobicContact CE1-CD1 4.41Å; F617-L695 HydrophobicContact CZ-CD1 4.15Å; V621-L695 HydrophobicContact CG1-CD1 4.13Å; V621-L695 HydrophobicContact CG2-CD1 4.11Å; P630-L695 HydrophobicContact CB-CB 4.11Å; P630-L695 HydrophobicContact CG-CB 3.91Å; E691-L695 HydrophobicContact CG-CD1 4.41Å; E691-L695 WeakPolarHBondContact O-CG 3.5Å; E691-L695 PolarHBondContact O-N 3.12Å; A692-L695 PolarHBondContact O-N 3.14Å; L695-I698 PolarHBondContact O-N 2.78Å; L695-Y699 PolarHBondContact O-N 2.92Å
696Q86.4Confident79.4Confident75 Ų7588.6 Ų88.635%0.3549%0.49SS..THydrogen-bonded Turntrans-58.4-36.9-174.1-167.261.175.500115.2A692 I698A692-Q696 WeakPolarHBondContact O-CB 3.36Å; A692-Q696 PolarHBondContact O-N 2.66Å; Q696-I698 VanDerWaalsContact C-N 3.32Å
697P86Confident76.4Confident111 Ų11191.9 Ų91.972%0.72150%0.499SS*.THydrogen-bonded Turntrans-76-15.9174-1732.5000114.5E693 K694E693-P697 VanDerWaalsContact O-CD 3.28Å; E693-P697 WeakPolarHBondContact O-CD 3.49Å; K694-P697 WeakPolarHBondContact O-CD 3.5Å
698I86Confident73.1Confident132 Ų13294.4 Ų94.468%0.67751%0.514SS*.THydrogen-bonded Turntrans-96.2-19.7-178.6-52.8174.4000110.5L695 Q696 T700L695-I698 PolarHBondContact O-N 2.78Å; Q696-I698 VanDerWaalsContact C-N 3.32Å; I698-T700 PolarHBondContact O-N 2.9Å; I698-T700 VanDerWaalsContact O-N 3.12Å
699Y83.6Confident70.1Confident54 Ų5497 Ų9721%0.21253%0.532CS..  trans-72101.2179.8179.9-104.2000112.5K625 P630 L695 P701K625-Y699 WeakPolarHBondContact O-CE2 3.46Å; K625-Y699 PolarHBondContact O-OH 3.49Å; P630-Y699 HydrophobicContact CG-CD2 4.27Å; P630-Y699 HydrophobicContact CG-CG 4.22Å; L695-Y699 PolarHBondContact O-N 2.92Å; Y699-P701 HydrophobicContact CD1-CG 4.33Å; Y699-P701 HydrophobicContact CE1-CB 4.26Å; Y699-P701 HydrophobicContact CE1-CG 3.83Å
700T76.1Confident67.1Low120 Ų12099.6 Ų99.674%0.73656%0.555SS**PPolyproline II helixtrans-89.5117.3163.6-53.60000109.1I698I698-T700 PolarHBondContact O-N 2.9Å; I698-T700 VanDerWaalsContact O-N 3.12Å
701P69Low64.2Low82 Ų82104.1 Ų104.153%0.53257%0.574SS.*PPolyproline II helixtrans-58.9138.9171.9-18.829.7000110.6Y699 S703Y699-P701 HydrophobicContact CD1-CG 4.33Å; Y699-P701 HydrophobicContact CE1-CB 4.26Å; Y699-P701 HydrophobicContact CE1-CG 3.83Å; P701-S703 PolarHBondContact O-N 3Å
702S60Low61.3Low77 Ų77106.2 Ų106.254%0.53859%0.587SS.*PPolyproline II helixtrans-65.2119.8172.4520000109.8
703S43Very low58.4Low118 Ų118111.4 Ų111.483%0.82561%0.613SS**SBendtrans-66.9149179.144.20000111.9P701P701-S703 PolarHBondContact O-N 3Å
704A37.7Very low55.6Low97 Ų97111.7 Ų111.780%0.80262%0.618SS**  trans7267.3177.200000117.5
705Q37.2Very low52.8Low187 Ų187113.7 Ų113.787%0.87463%0.632SS**  -145.9114.7120-107.417638.900110.1R707Q705-R707 PolarHBondContact O-N 2.99Å
706L32.7Very low49.8Very low174 Ų174115.5 Ų115.591%0.91165%0.649SS**  trans-69111.3163.7-83.9143000106.8
707R35.5Very low47.1Very low188 Ų188118.3 Ų118.371%0.70967%0.672SS**PPolyproline II helixtrans-58.7128.1166-70-174.1-177.61617.2107.1D627 Q705D627-R707 PolarHBondContact O-NH2 2.83Å; Q705-R707 PolarHBondContact O-N 2.99Å
708P29.3Very low44.4Very low80 Ų80121.1 Ų121.152%0.51968%0.675SS.*PPolyproline II helixtrans-57.2156.6170.1-19.531.2000110D712P708-D712 HydrophobicContact CB-CB 3.6Å
709S36.3Very low41.7Very low55 Ų55126.1 Ų126.139%0.38569%0.686SS.*PPolyproline II helixtrans-64161.1169.772.60000109.6E711 D712S709-E711 PolarHBondContact O-N 3.06Å; S709-E711 PolarHBondContact OG-N 3.11Å; S709-D712 WeakPolarHBondContact CB-OD2 3.48Å; S709-D712 PolarHBondContact N-OD2 3.48Å; S709-D712 PolarHBondContact O-N 2.97Å; S709-D712 VanDerWaalsContact O-N 3.13Å; S709-D712 PolarHBondContact OG-OD2 2.91Å
710S35.8Very low39.3Very low113 Ų113129.5 Ų129.579%0.7972%0.717SS**THydrogen-bonded Turntrans-64.7-2.9176.345.90000114.1
711E36.1Very low37.1Very low159 Ų159128.3 Ų128.374%0.74371%0.714SS**THydrogen-bonded Turntrans-94.3-26.1176-59.2-178.6123.100112.3S709 L713S709-E711 PolarHBondContact O-N 3.06Å; S709-E711 PolarHBondContact OG-N 3.11Å; E711-L713 PolarHBondContact O-N 2.98Å
712D37Very low35.2Very low93 Ų93132.9 Ų132.950%0.49773%0.727SS.*G310 helixtrans-76.2-20.4-175.6-66.5-63.3000114.1P708 S709 L714P708-D712 HydrophobicContact CB-CB 3.6Å; S709-D712 WeakPolarHBondContact CB-OD2 3.48Å; S709-D712 PolarHBondContact N-OD2 3.48Å; S709-D712 PolarHBondContact O-N 2.97Å; S709-D712 VanDerWaalsContact O-N 3.13Å; S709-D712 PolarHBondContact OG-OD2 2.91Å; D712-L714 PolarHBondContact O-N 2.99Å
713L34.9Very low34Very low117 Ų117137.6 Ų137.661%0.61375%0.746SS**G310 helixtrans-75.2-1.9-173.5-85.2160.9000114.7E711E711-L713 PolarHBondContact O-N 2.98Å
714L35.8Very low33.3Very low149 Ų149139.3 Ų139.378%0.7875%0.746SS**G310 helixtrans-90.4-2.7-176.8-76.5163.7000114.9D712D712-L714 PolarHBondContact O-N 2.99Å
715I37.6Very low33.1Very low156 Ų156140.8 Ų140.880%0.874%0.74SS**SBendtrans-118.5-12.4-166.2-66.9172.1000114
716S30Very low32.7Very low89 Ų89137 Ų13762%0.62274%0.735SS**  trans-106.515-163.954.70000117.2Q718S716-Q718 VanDerWaalsContact C-N 3.33Å; S716-Q718 PolarHBondContact O-N 2.91Å
717T30.4Very low32.7Very low133 Ų133137.1 Ų137.182%0.81673%0.728SS**  trans-88.842-177.744.30000115.3
718Q28.8Very low32.5Very low170 Ų170137.2 Ų137.279%0.79474%0.736SS**  trans-143.991.2167.1-71.6-166.14.600113.2S716S716-Q718 VanDerWaalsContact C-N 3.33Å; S716-Q718 PolarHBondContact O-N 2.91Å
719R29.5Very low32.7Very low238 Ų238139.3 Ų139.390%0.89875%0.752SS**  trans166.1165.8137.6-91.9155.9-170.4-151.30.9114
720S32.9Very low32.3Very low124 Ų124142 Ų14287%0.86777%0.771SS**  trans65117.6167.740.10000118.4
721S28.6Very low32.2Very low96 Ų96142.1 Ų142.167%0.67177%0.769SS**  trans-100.5172.2171.9510000112.1
722H30.5Very low31.9Very low177 Ų177143.1 Ų143.182%0.81978%0.779SS**  trans66.4120.5169.2-58.8-73.6000118.2
723L34.6Very low31.5Very low176 Ų176144.2 Ų144.292%0.92179%0.794SS**  -165127123.5-104.9161.4000109.4
724D29Very low31.2Very low155 Ų155144.6 Ų144.683%0.82981%0.806SS**  trans-75.3149.2159.6-84.7-63.6000109.3
725D33Very low30.9Very low128 Ų128142.6 Ų142.668%0.68481%0.811SS**  trans-160.7134.1131.1-145.17.5000111.8K727D725-K727 IonicContact OD2-NZ 2.82Å; D725-K727 PolarHBondContact OD2-NZ 3.08Å
726S28.5Very low30.6Very low108 Ų108141.2 Ų141.276%0.75582%0.815SS**  trans-101.7126.3178.459.10000110.8
727K31.9Very low30.5Very low176 Ų176142 Ų14277%0.76583%0.828SS**  trans-136.6128.6172.8-71.1-168.5167.9104.80112.9D725D725-K727 IonicContact OD2-NZ 2.82Å; D725-K727 PolarHBondContact OD2-NZ 3.08Å
728H32.4Very low30.6Very low189 Ų189141.7 Ų141.788%0.87583%0.83SS**  trans-69.4158.7178-67.2-95.8000112.3
729S32.1Very low30.6Very low125 Ų125138.1 Ų138.187%0.87483%0.83SS**  trans-127.1131.2150.257.50000109.7
730S28.4Very low30.7Very low110 Ų110131.9 Ų131.977%0.76982%0.823SS**  trans-146.2139.4173.659.70000108.9
731P33.4Very low30.6Very low117 Ų117132.8 Ų132.876%0.7682%0.817SS**  trans-125107.6172.335-20.5000112
732L31.2Very low30.7Very low179 Ų179134.9 Ų134.994%0.93782%0.82SS**  174.8142.4120.8-92.9159.2000110.8
733S27.4Very low30.7Very low117 Ų117133.1 Ų133.182%0.81882%0.821SS**  trans-115.4139.4-17353.20000112.6
734S30.2Very low30.5Very low125 Ų125128 Ų12887%0.87481%0.811SS**  trans-145.1137.9156.359.20000108.4
735A28.5Very low30.5Very low107 Ų107129 Ų12988%0.88481%0.814SS**  trans-108.3141.4-160.900000114.5
736S31.2Very low30.4Very low127 Ų127128.2 Ų128.289%0.88882%0.819SS**  trans-159139.1148.957.70000109
737A27.5Very low30.3Very low106 Ų106129.6 Ų129.688%0.87682%0.823SS**  trans-114.2146.8-167.500000114.3
738S32.2Very low30.3Very low125 Ų125125.9 Ų125.987%0.87483%0.826SS**  trans-156.7159.4143.160.50000108.4
739A29Very low30.1Very low96 Ų96121.8 Ų121.879%0.79383%0.825SS**  trans-150.1141.9-162.300000116
740S32.9Very low30.1Very low106 Ų106122.2 Ų122.274%0.74182%0.822SS**  trans-167.5132.1151.147.50000107.9
741I31Very low30.3Very low144 Ų144122.3 Ų122.374%0.73882%0.82SS**  68127.453.7-61.4169.2000110
742D29.6Very low30.3Very low140 Ų140124.5 Ų124.575%0.74982%0.824SS**  cis-171.4166.1-11.3-107.8-20.5000107.8
743V31.1Very low30.5Very low139 Ų139122 Ų12284%0.84282%0.818SS**  cis-164.3175.5-15.6780000107.1
744G31.1Very low30.7Very low68 Ų68119.8 Ų119.870%0.70181%0.814SS**  trans136.789.3151.300000120.6
745I28.5Very low30.9Very low176 Ų176118.6 Ų118.690%0.90381%0.812SS**  trans-28.5136154.1-60.8155.7000116
746S29.5Very low31.2Very low112 Ų112118.6 Ų118.678%0.78381%0.812SS**  -178.9146.3118.2-164.30000114
747T27.4Very low31.4Very low137 Ų137117 Ų11784%0.8481%0.807SS**  trans-105.7134.2172.847.10000111.5
748A30.9Very low31.8Very low99 Ų99118.5 Ų118.582%0.81881%0.807SS**  trans-155.7134.9164.500000111
749A28.6Very low31.9Very low103 Ų103116.2 Ų116.285%0.85180%0.804SS**  trans-107.5138.4172.500000110.3
750V32.4Very low31.8Very low134 Ų134115.7 Ų115.781%0.81281%0.807SS**  trans-142.2133.7174.7-175.30000109.2
751P32.8Very low31.8Very low112 Ų112118.9 Ų118.973%0.72782%0.815SS**  trans-92168.7-179.336.3-35.9000114.8
752L32.4Very low31.7Very low163 Ų163117.3 Ų117.385%0.85382%0.817SS**  trans-2.1155151.3-66.7166.9000119.6
753P35.8Very low31.8Very low126 Ų126120.4 Ų120.482%0.81882%0.824SS**  cis-146.5-175.427.143.1-23.8000117.7
754G32.3Very low31.7Very low70 Ų70122.8 Ų122.872%0.72282%0.823SS**  111.193.7124.900000122.5
755A34.6Very low31.7Very low101 Ų101125.4 Ų125.484%0.83583%0.827SS**  trans64.8122.813600000124.5
756A34.4Very low31.9Very low107 Ų107121.6 Ų121.688%0.88482%0.816SS**  trans64.3153.2148.100000119.5
757A35.9Very low31.8Very low94 Ų94119.4 Ų119.478%0.77781%0.811SS**  cis-137.9171.36.800000111.2
758P35.9Very low32.2Very low136 Ų136121.6 Ų121.688%0.88381%0.805SS**  trans-94.1148.5-157.935.5-35.6000116.7
759G34.2Very low32.4Very low78 Ų78121.9 Ų121.980%0.80480%0.801SS**  trans-131.7131.5159.600000109.6
760G27.5Very low32.6Very low84 Ų84125 Ų12587%0.86680%0.796SS**  trans-92128.8-161.700000116.2
761L32.6Very low32.9Very low174 Ų174121.9 Ų121.991%0.91178%0.777SS**  trans-133.2133.4153.6-91169.8000108.9K763L761-K763 PolarHBondContact O-N 2.65Å
762S29Very low33.3Very low111 Ų111121 Ų12178%0.77676%0.763SS**  trans-80.499.7-16747.60000113.2K764S762-K764 PolarHBondContact O-N 3.45Å
763K32.1Very low33.6Very low205 Ų205118.3 Ų118.389%0.89175%0.753SS**  trans-67.7100.3157.8-73.5-170.1176.6-175.10109L761L761-K763 PolarHBondContact O-N 2.65Å
764K28.5Very low33.8Very low188 Ų188117.9 Ų117.982%0.81774%0.744SS**PPolyproline II helixtrans-60140161.8-73.1-178.2176.3178.80108.6S762S762-K764 PolarHBondContact O-N 3.45Å
765P30.5Very low34.5Very low123 Ų123115.1 Ų115.180%0.79971%0.713SS**PPolyproline II helixtrans-63140163.329.1-33.3000108.9
766S32.5Very low34.8Very low96 Ų96112.6 Ų112.667%0.67169%0.686SS**PPolyproline II helixtrans-67.5131.2171.341.60000109.4Y768S766-Y768 PolarHBondContact O-N 2.9Å
767G28.8Very low35.1Very low66 Ų66110.1 Ų110.168%0.6867%0.67SS**  trans-7625.8-165.200000116.8S769G767-S769 VanDerWaalsContact C-N 3.27Å; G767-S769 PolarHBondContact O-N 2.87Å
768Y34.9Very low35.6Very low183 Ų183114 Ų11472%0.71867%0.669SS**THydrogen-bonded Turntrans-75.870.1-175.7-68.6-76.9000112.3S766S766-Y768 PolarHBondContact O-N 2.9Å
769S35Very low36Very low105 Ų105108.9 Ų108.973%0.73463%0.634SS**THydrogen-bonded Turntrans-155.39.8171.2640000115.9G767G767-S769 VanDerWaalsContact C-N 3.27Å; G767-S769 PolarHBondContact O-N 2.87Å
770K33.8Very low36.2Very low168 Ų168111.2 Ų111.273%0.7362%0.623SS**SBendtrans-134.1-1.2-176.4-75.2-164.6173.3-172.20117.4
771V37.4Very low37.3Very low69 Ų69109.1 Ų109.142%0.41859%0.592SS.*SBendtrans-82.6-51.4-174.8-175.50000112.2V773 N774V771-V773 VanDerWaalsContact C-N 3.29Å; V771-V773 PolarHBondContact O-N 3.15Å; V771-V773 VanDerWaalsContact O-N 3.09Å; V771-N774 PolarHBondContact O-N 2.68Å; V771-N774 VanDerWaalsContact O-N 3.09Å
772H41.2Very low37.6Very low93 Ų93110.9 Ų110.943%0.43159%0.586SS.*THydrogen-bonded Turntrans-54.4-35.1-170.9-70-64.6000115.5A385 N774A385-H772 HydrophobicContact CB-CB 4.43Å; H772-N774 VanDerWaalsContact C-N 3.31Å; H772-N774 PolarHBondContact O-N 3.05Å
773V38.5Very low38.7Very low108 Ų108110.6 Ų110.666%0.65558%0.58SS**Hα-helixtrans-69.7-26.2-177-172.20000112.9V771 G777V771-V773 VanDerWaalsContact C-N 3.29Å; V771-V773 PolarHBondContact O-N 3.15Å; V771-V773 VanDerWaalsContact O-N 3.09Å; V773-G777 PolarHBondContact O-N 3.14Å
774N40.9Very low38.9Very low117 Ų117102.4 Ų102.463%0.62655%0.554SS**Hα-helixtrans-87.4-9.2-174.6-88.4-29.9000114.9V771 H772V771-N774 PolarHBondContact O-N 2.68Å; V771-N774 VanDerWaalsContact O-N 3.09Å; H772-N774 VanDerWaalsContact C-N 3.31Å; H772-N774 PolarHBondContact O-N 3.05Å
775V46.8Very low39.5Very low12 Ų1298.6 Ų98.67%0.07354%0.541CS..Hα-helixtrans-93.6-54177.2-178.20000109.5L31 M78 G777 K778 I779L31-V775 HydrophobicContact CD2-CG2 3.56Å; M78-V775 HydrophobicContact CE-CG1 4.4Å; V775-G777 PolarHBondContact O-N 2.59Å; V775-K778 PolarHBondContact O-N 2.82Å; V775-I779 HydrophobicContact CG1-CD1 4.32Å; V775-I779 PolarHBondContact O-N 3.12Å
776L40.6Very low39.9Very low48 Ų4896.2 Ų96.225%0.25153%0.526SS..Hα-helixtrans-49.7-51.7172.3-66.9177.6000111.6K778 I779 V787L776-K778 PolarHBondContact O-N 3.46Å; L776-I779 PolarHBondContact O-N 2.83Å; L776-I779 VanDerWaalsContact O-N 3.09Å; L776-I779 VanDerWaalsContact O-O 3.08Å; L776-V787 CarbonylContact C-O 3.59Å; L776-V787 WeakPolarHBondContact CA-O 3.28Å; L776-V787 WeakPolarHBondContact CB-O 3.21Å; L776-V787 VanDerWaalsContact CD2-O 3.25Å; L776-V787 WeakPolarHBondContact CD2-O 3.42Å
777G41.2Very low40.6Very low55 Ų5595 Ų9557%0.56751%0.514SS*.THydrogen-bonded Turntrans-62.52.4176.800000117.2V773 V775V773-G777 PolarHBondContact O-N 3.14Å; V775-G777 PolarHBondContact O-N 2.59Å
778K45.3Very low41.2Very low174 Ų17496.5 Ų96.576%0.75751%0.506SS*.THydrogen-bonded Turntrans-118.9-19.6174.2-71.3-178.1179.3176.90114.3V775 L776V775-K778 PolarHBondContact O-N 2.82Å; L776-K778 PolarHBondContact O-N 3.46Å
779I45.1Very low41.5Very low29 Ų2991.9 Ų91.915%0.14949%0.494CS..  trans-93.1125.4175.5-60.1178.4000106.9V24 L27 V775 L776 P786 V787V24-I779 HydrophobicContact CG2-CD1 3.97Å; V24-I779 HydrophobicContact CG2-CG2 4.18Å; L27-I779 HydrophobicContact CD1-CD1 4.21Å; V775-I779 HydrophobicContact CG1-CD1 4.32Å; V775-I779 PolarHBondContact O-N 3.12Å; L776-I779 PolarHBondContact O-N 2.83Å; L776-I779 VanDerWaalsContact O-N 3.09Å; L776-I779 VanDerWaalsContact O-O 3.08Å; I779-P786 WeakPolarHBondContact O-CA 3.46Å; I779-V787 HydrophobicContact CG2-CG2 4.28Å; I779-V787 PolarHBondContact O-N 3.12Å; I779-V787 VanDerWaalsContact O-N 3.07Å
780K39.3Very low41.9Very low128 Ų12891.2 Ų91.256%0.55748%0.481SS*.BIsolated β-bridgetrans-119.9139.8176.1-74.8177.7165.9-121.50108.5G784 I785K780-G784 WeakPolarHBondContact CD-O 3.46Å; K780-G784 PolarHBondContact NZ-O 2.97Å; K780-I785 VanDerWaalsContact CA-O 3.26Å; K780-I785 WeakPolarHBondContact CA-O 3.24Å
781D50.1Low42.4Very low40 Ų4086.6 Ų86.621%0.21447%0.466CS..  trans-65.7175.6173.580.4-27.5000111.6E20 T783 G784 I785 V787E20-D781 WeakPolarHBondContact OE1-CA 3.28Å; D781-T783 VanDerWaalsContact CG-N 3.26Å; D781-T783 PolarHBondContact O-N 3.2Å; D781-T783 WeakPolarHBondContact OD1-CA 3.34Å; D781-T783 PolarHBondContact OD1-N 3.22Å; D781-T783 PolarHBondContact OD1-OG1 2.98Å; D781-T783 VanDerWaalsContact OD2-CB 3.31Å; D781-T783 WeakPolarHBondContact OD2-CB 3.19Å; D781-T783 VanDerWaalsContact OD2-CG2 3.31Å; D781-T783 WeakPolarHBondContact OD2-CG2 3.15Å; D781-T783 PolarHBondContact OD2-N 3.46Å; D781-T783 PolarHBondContact OD2-OG1 3.44Å; D781-G784 PolarHBondContact O-N 3.13Å; D781-G784 PolarHBondContact OD1-N 2.94Å; D781-I785 PolarHBondContact N-O 3.19Å; D781-I785 PolarHBondContact OD1-N 3.25Å; D781-V787 HydrophobicContact CB-CG2 4.14Å
782R39Very low42.7Very low211 Ų21187.8 Ų87.880%0.79647%0.469SS*.THydrogen-bonded Turntrans-64.7-4.8174.4-68.3-176.2175.7-176-2.4113.8E68E68-R782 IonicContact OE1-NH2 3.72Å; E68-R782 PolarHBondContact OE1-NH2 2.79Å; E68-R782 IonicContact OE2-NH2 2.81Å
783T51.1Low42.8Very low105 Ų10587.4 Ų87.464%0.64447%0.472SS*.THydrogen-bonded Turntrans-100.4-10.2172.180.50000114D781 I785D781-T783 VanDerWaalsContact CG-N 3.26Å; D781-T783 PolarHBondContact O-N 3.2Å; D781-T783 WeakPolarHBondContact OD1-CA 3.34Å; D781-T783 PolarHBondContact OD1-N 3.22Å; D781-T783 PolarHBondContact OD1-OG1 2.98Å; D781-T783 VanDerWaalsContact OD2-CB 3.31Å; D781-T783 WeakPolarHBondContact OD2-CB 3.19Å; D781-T783 VanDerWaalsContact OD2-CG2 3.31Å; D781-T783 WeakPolarHBondContact OD2-CG2 3.15Å; D781-T783 PolarHBondContact OD2-N 3.46Å; D781-T783 PolarHBondContact OD2-OG1 3.44Å; T783-I785 WeakPolarHBondContact OG1-CD1 3.43Å; T783-I785 WeakPolarHBondContact OG1-CG1 3.45Å
784G35.7Very low43.1Very low33 Ų3385.9 Ų85.934%0.3446%0.459SS..SBendtrans91.67.2179.400000114.9K780 D781K780-G784 WeakPolarHBondContact CD-O 3.46Å; K780-G784 PolarHBondContact NZ-O 2.97Å; D781-G784 PolarHBondContact O-N 3.13Å; D781-G784 PolarHBondContact OD1-N 2.94Å
785I41.7Very low43.3Very low107 Ų10783.5 Ų83.555%0.54945%0.446SS..  trans-78.3132.8173-63.2174000108.4K780 D781 T783 V787K780-I785 VanDerWaalsContact CA-O 3.26Å; K780-I785 WeakPolarHBondContact CA-O 3.24Å; D781-I785 PolarHBondContact N-O 3.19Å; D781-I785 PolarHBondContact OD1-N 3.25Å; T783-I785 WeakPolarHBondContact OG1-CD1 3.43Å; T783-I785 WeakPolarHBondContact OG1-CG1 3.45Å; I785-V787 PolarHBondContact O-N 2.65Å
786P38.2Very low43Very low74 Ų7489.5 Ų89.548%0.48148%0.477SS..BIsolated β-bridgetrans-63.6128.9170.1-16.730.8000110.3I779I779-P786 WeakPolarHBondContact O-CA 3.46Å
787V48.1Very low43.2Very low70 Ų7093.3 Ų93.342%0.42450%0.498SS..  trans-77.60174.5-170.50000109.1L776 I779 D781 I785L776-V787 CarbonylContact C-O 3.59Å; L776-V787 WeakPolarHBondContact CA-O 3.28Å; L776-V787 WeakPolarHBondContact CB-O 3.21Å; L776-V787 VanDerWaalsContact CD2-O 3.25Å; L776-V787 WeakPolarHBondContact CD2-O 3.42Å; I779-V787 HydrophobicContact CG2-CG2 4.28Å; I779-V787 PolarHBondContact O-N 3.12Å; I779-V787 VanDerWaalsContact O-N 3.07Å; D781-V787 HydrophobicContact CB-CG2 4.14Å; I785-V787 PolarHBondContact O-N 2.65Å

Retrieved 787 of 787 residues in 758.9 ms (Link to these results)

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