| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.7 | Very low | 54.5 | Low | 168 Ų | 168 | 107.4 Ų | 107.4 | 83% | 0.828 | 50% | 0.503 | S | S | * | . | 0 | -59.3 | 0 | -76.8 | -74.7 | -142 | 0 | 0 | 112.4 | R3 R4 R5 | M1-R3 PolarHBondContact O-N 3.25Å; M1-R4 PolarHBondContact O-N 3.03Å; M1-R5 WeakPolarHBondContact O-CG 3.29Å; M1-R5 PolarHBondContact O-N 3.36Å | |||
| 2 | L | 35.2 | Very low | 56.2 | Low | 139 Ų | 139 | 98.6 Ų | 98.6 | 73% | 0.728 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.6 | -47.1 | -179.9 | -73.1 | 161.3 | 0 | 0 | 0 | 113 | R4 R5 C6 | L2-R4 PolarHBondContact O-N 2.69Å; L2-R5 WeakPolarHBondContact O-CB 3.34Å; L2-R5 PolarHBondContact O-N 3.4Å; L2-C6 PolarHBondContact O-N 3.19Å; L2-C6 PolarHBondContact O-SG 2.92Å |
| 3 | R | 39 | Very low | 57.8 | Low | 108 Ų | 108 | 91.6 Ų | 91.6 | 41% | 0.408 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 177.1 | -79.9 | -174.8 | -171.7 | -175.4 | 10 | 114.6 | M1 R5 C6 Q7 P701 D703 | M1-R3 PolarHBondContact O-N 3.25Å; R3-R5 VanDerWaalsContact C-N 3.32Å; R3-R5 PolarHBondContact O-N 3.28Å; R3-C6 CarbonylContact O-C 3.59Å; R3-C6 WeakPolarHBondContact O-CA 3.44Å; R3-C6 WeakPolarHBondContact O-CB 3.32Å; R3-C6 PolarHBondContact O-N 3.45Å; R3-C6 VanDerWaalsContact O-N 3.09Å; R3-Q7 PolarHBondContact O-N 2.95Å; R3-P701 PolarHBondContact NH1-O 3.09Å; R3-D703 PolarHBondContact NH1-O 2.85Å; R3-D703 PolarHBondContact NH2-O 2.87Å |
| 4 | R | 40.6 | Very low | 59.2 | Low | 120 Ų | 120 | 88.1 Ų | 88.1 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65 | -37.5 | 174.1 | -70.2 | -167.5 | -158.6 | 164.6 | 11.2 | 112 | M1 L2 C6 Q7 L8 | M1-R4 PolarHBondContact O-N 3.03Å; L2-R4 PolarHBondContact O-N 2.69Å; R4-C6 VanDerWaalsContact C-N 3.28Å; R4-C6 PolarHBondContact O-N 2.75Å; R4-Q7 PolarHBondContact O-N 2.94Å; R4-L8 WeakPolarHBondContact O-CB 3.44Å; R4-L8 PolarHBondContact O-N 2.86Å |
| 5 | R | 49.3 | Very low | 60.4 | Low | 151 Ų | 151 | 83.4 Ų | 83.4 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.3 | -38.7 | 171 | -73.6 | 178 | 177.2 | -179.4 | -0 | 110.6 | M1 L2 R3 A9 | M1-R5 WeakPolarHBondContact O-CG 3.29Å; M1-R5 PolarHBondContact O-N 3.36Å; L2-R5 WeakPolarHBondContact O-CB 3.34Å; L2-R5 PolarHBondContact O-N 3.4Å; R3-R5 VanDerWaalsContact C-N 3.32Å; R3-R5 PolarHBondContact O-N 3.28Å; R5-A9 WeakPolarHBondContact O-CB 3.39Å; R5-A9 PolarHBondContact O-N 2.94Å |
| 6 | C | 57 | Low | 61.8 | Low | 67 Ų | 67 | 78.6 Ų | 78.6 | 45% | 0.453 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.4 | -46 | 175.2 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | L2 R3 R4 A9 E10 | L2-C6 PolarHBondContact O-N 3.19Å; L2-C6 PolarHBondContact O-SG 2.92Å; R3-C6 CarbonylContact O-C 3.59Å; R3-C6 WeakPolarHBondContact O-CA 3.44Å; R3-C6 WeakPolarHBondContact O-CB 3.32Å; R3-C6 PolarHBondContact O-N 3.45Å; R3-C6 VanDerWaalsContact O-N 3.09Å; R4-C6 VanDerWaalsContact C-N 3.28Å; R4-C6 PolarHBondContact O-N 2.75Å; C6-A9 CarbonylContact O-C 3.59Å; C6-A9 WeakPolarHBondContact O-CB 3.46Å; C6-A9 PolarHBondContact O-N 3.12Å; C6-E10 WeakPolarHBondContact O-CB 3.46Å; C6-E10 WeakPolarHBondContact O-CG 3.33Å; C6-E10 PolarHBondContact O-N 3.11Å |
| 7 | Q | 64.5 | Low | 63 | Low | 118 Ų | 118 | 74.8 Ų | 74.8 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63 | -49.3 | 179.3 | -76.3 | 176 | -24.3 | 0 | 0 | 112 | R3 R4 A9 E10 E11 | R3-Q7 PolarHBondContact O-N 2.95Å; R4-Q7 PolarHBondContact O-N 2.94Å; Q7-A9 PolarHBondContact O-N 3.2Å; Q7-E10 PolarHBondContact O-N 3.18Å; Q7-E10 VanDerWaalsContact O-N 3.1Å; Q7-E11 WeakPolarHBondContact O-CG 3.47Å; Q7-E11 PolarHBondContact O-N 2.96Å |
| 8 | L | 66.9 | Low | 63.9 | Low | 54 Ų | 54 | 75.3 Ų | 75.3 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | 176.1 | -170.2 | 68 | 0 | 0 | 0 | 110.7 | R4 V12 W369 | R4-L8 WeakPolarHBondContact O-CB 3.44Å; R4-L8 PolarHBondContact O-N 2.86Å; L8-V12 VanDerWaalsContact O-CB 3.27Å; L8-V12 WeakPolarHBondContact O-CB 3.35Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.13Å; L8-W369 HydrophobicContact CB-CH2 4.15Å; L8-W369 HydrophobicContact CB-CZ3 4.11Å; L8-W369 HydrophobicContact CD2-CH2 3.47Å; L8-W369 VanDerWaalsContact CD2-CH2 3.47Å; L8-W369 HydrophobicContact CD2-CZ3 3.6Å; L8-W369 HydrophobicContact CG-CE3 4.48Å; L8-W369 HydrophobicContact CG-CH2 3.81Å; L8-W369 HydrophobicContact CG-CZ3 3.52Å |
| 9 | A | 68.2 | Low | 64.9 | Low | 18 Ų | 18 | 73.3 Ų | 73.3 | 15% | 0.149 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | R5 C6 Q7 A13 W369 | R5-A9 WeakPolarHBondContact O-CB 3.39Å; R5-A9 PolarHBondContact O-N 2.94Å; C6-A9 CarbonylContact O-C 3.59Å; C6-A9 WeakPolarHBondContact O-CB 3.46Å; C6-A9 PolarHBondContact O-N 3.12Å; Q7-A9 PolarHBondContact O-N 3.2Å; A9-A13 WeakPolarHBondContact O-CB 3.44Å; A9-A13 PolarHBondContact O-N 3Å; A9-W369 VanDerWaalsContact CA-CD2 3.4Å; A9-W369 HydrophobicContact CB-CB 3.81Å; A9-W369 VanDerWaalsContact CB-CD1 3.4Å; A9-W369 HydrophobicContact CB-CD2 3.48Å; A9-W369 VanDerWaalsContact CB-CD2 3.48Å; A9-W369 HydrophobicContact CB-CE3 4.17Å; A9-W369 HydrophobicContact CB-CG 3.27Å |
| 10 | E | 73.6 | Confident | 65.8 | Low | 128 Ų | 128 | 69.7 Ų | 69.7 | 60% | 0.598 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.1 | -40.8 | 178.8 | -76.6 | 173.5 | -168.2 | 0 | 0 | 112.4 | C6 Q7 A13 H14 | C6-E10 WeakPolarHBondContact O-CB 3.46Å; C6-E10 WeakPolarHBondContact O-CG 3.33Å; C6-E10 PolarHBondContact O-N 3.11Å; Q7-E10 PolarHBondContact O-N 3.18Å; Q7-E10 VanDerWaalsContact O-N 3.1Å; E10-A13 WeakPolarHBondContact O-CB 3.28Å; E10-A13 PolarHBondContact O-N 3.3Å; E10-H14 WeakPolarHBondContact O-CB 3.23Å; E10-H14 PolarHBondContact O-N 3.45Å |
| 11 | E | 71.6 | Confident | 66.6 | Low | 110 Ų | 110 | 68.9 Ų | 68.9 | 51% | 0.514 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | 176.9 | -74.1 | -179.2 | -178.4 | 0 | 0 | 111.6 | Q7 A13 H14 A15 | Q7-E11 WeakPolarHBondContact O-CG 3.47Å; Q7-E11 PolarHBondContact O-N 2.96Å; E11-A13 VanDerWaalsContact C-N 3.33Å; E11-H14 PolarHBondContact O-N 3.42Å; E11-H14 VanDerWaalsContact O-N 3.17Å; E11-A15 PolarHBondContact O-N 3.42Å |
| 12 | V | 75 | Confident | 68.8 | Low | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60 | -47.9 | 173.4 | 173.9 | 0 | 0 | 0 | 0 | 109 | L8 H14 A15 Y16 G368 W369 T372 C680 | L8-V12 VanDerWaalsContact O-CB 3.27Å; L8-V12 WeakPolarHBondContact O-CB 3.35Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.13Å; V12-H14 VanDerWaalsContact C-N 3.26Å; V12-H14 PolarHBondContact O-N 3.4Å; V12-A15 WeakPolarHBondContact O-CB 3.16Å; V12-A15 PolarHBondContact O-N 3.41Å; V12-Y16 HydrophobicContact CG1-CD2 3.69Å; V12-Y16 HydrophobicContact CG1-CE2 3.52Å; V12-Y16 VanDerWaalsContact O-CD2 3.26Å; V12-Y16 WeakPolarHBondContact O-CD2 3.41Å; V12-Y16 PolarHBondContact O-N 3.2Å; V12-G368 WeakPolarHBondContact CG1-O 3.3Å; V12-W369 HydrophobicContact CB-CE3 4.01Å; V12-W369 HydrophobicContact CG1-CE3 4.32Å; V12-W369 HydrophobicContact CG2-CE3 3.94Å; V12-W369 HydrophobicContact CG2-CZ3 4.15Å; V12-T372 HydrophobicContact CG1-CG2 4.49Å; V12-C680 HydrophobicContact CG2-CB 4.49Å |
| 13 | A | 76.2 | Confident | 71 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 7% | 0.066 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.8 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A9 E10 E11 Y16 Y17 G365 Y450 | A9-A13 WeakPolarHBondContact O-CB 3.44Å; A9-A13 PolarHBondContact O-N 3Å; E10-A13 WeakPolarHBondContact O-CB 3.28Å; E10-A13 PolarHBondContact O-N 3.3Å; E11-A13 VanDerWaalsContact C-N 3.33Å; A13-Y16 PolarHBondContact O-N 2.63Å; A13-Y17 WeakPolarHBondContact O-CB 3.44Å; A13-Y17 PolarHBondContact O-N 2.97Å; A13-G365 VanDerWaalsContact CA-O 3.25Å; A13-G365 WeakPolarHBondContact CA-O 3.42Å; A13-G365 WeakPolarHBondContact CB-O 3.3Å; A13-G365 WeakPolarHBondContact O-CA 3.41Å; A13-Y450 HydrophobicContact CB-CE1 4.25Å |
| 14 | H | 78 | Confident | 72.8 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 20% | 0.199 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 176.8 | -167.5 | -124.3 | 0 | 0 | 0 | 112.8 | E10 E11 V12 Y17 K18 Y450 S451 | E10-H14 WeakPolarHBondContact O-CB 3.23Å; E10-H14 PolarHBondContact O-N 3.45Å; E11-H14 PolarHBondContact O-N 3.42Å; E11-H14 VanDerWaalsContact O-N 3.17Å; V12-H14 VanDerWaalsContact C-N 3.26Å; V12-H14 PolarHBondContact O-N 3.4Å; H14-Y17 WeakPolarHBondContact O-CB 3.36Å; H14-Y17 PolarHBondContact O-N 3.33Å; H14-K18 WeakPolarHBondContact CE1-CE 3.45Å; H14-K18 PolarHBondContact CE1-NZ 3.3Å; H14-K18 VanDerWaalsContact ND1-CE 3.34Å; H14-K18 WeakPolarHBondContact ND1-CE 3.3Å; H14-K18 PolarHBondContact ND1-NZ 3.49Å; H14-K18 WeakPolarHBondContact O-CG 3.46Å; H14-K18 PolarHBondContact O-N 3.46Å; H14-Y450 AromaticContact CD2-CD1 3.79Å; H14-S451 PolarHBondContact CE1-OG 3.38Å; H14-S451 PolarHBondContact NE2-OG 3.25Å |
| 15 | A | 77.2 | Confident | 74.6 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E11 V12 Y17 K18 Y19 V679 | E11-A15 PolarHBondContact O-N 3.42Å; V12-A15 WeakPolarHBondContact O-CB 3.16Å; V12-A15 PolarHBondContact O-N 3.41Å; A15-Y17 VanDerWaalsContact C-N 3.32Å; A15-Y17 PolarHBondContact O-N 3.4Å; A15-K18 PolarHBondContact O-N 3.19Å; A15-Y19 WeakPolarHBondContact O-CB 3.44Å; A15-Y19 PolarHBondContact O-N 2.96Å; A15-V679 HydrophobicContact CB-CG1 4.09Å |
| 16 | Y | 82.8 | Confident | 76.1 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -35.1 | 174.3 | -82 | -90.6 | 0 | 0 | 0 | 112.4 | V12 A13 Y19 G20 L364 G368 L371 T372 F409 L413 | V12-Y16 HydrophobicContact CG1-CD2 3.69Å; V12-Y16 HydrophobicContact CG1-CE2 3.52Å; V12-Y16 VanDerWaalsContact O-CD2 3.26Å; V12-Y16 WeakPolarHBondContact O-CD2 3.41Å; V12-Y16 PolarHBondContact O-N 3.2Å; A13-Y16 PolarHBondContact O-N 2.63Å; Y16-Y19 PolarHBondContact O-N 3.45Å; Y16-G20 PolarHBondContact O-N 3.31Å; Y16-L364 VanDerWaalsContact CB-O 3.31Å; Y16-L364 WeakPolarHBondContact CB-O 3.2Å; Y16-L364 HydrophobicContact CD1-CD2 4.38Å; Y16-G368 VanDerWaalsContact CE2-O 3.3Å; Y16-G368 WeakPolarHBondContact CE2-O 3.14Å; Y16-L371 HydrophobicContact CE1-CD2 3.82Å; Y16-T372 WeakPolarHBondContact CE2-OG1 3.11Å; Y16-T372 PolarHBondContact OH-OG1 3.4Å; Y16-F409 WeakPolarHBondContact OH-CE2 3.39Å; Y16-F409 VanDerWaalsContact OH-CZ 3.29Å; Y16-F409 WeakPolarHBondContact OH-CZ 3.41Å; Y16-L413 HydrophobicContact CD1-CD2 3.93Å; Y16-L413 HydrophobicContact CE1-CD1 4.23Å; Y16-L413 HydrophobicContact CE1-CD2 3.46Å; Y16-L413 VanDerWaalsContact CE1-CD2 3.46Å; Y16-L413 HydrophobicContact CE1-CG 4.43Å |
| 17 | Y | 82 | Confident | 77.2 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 172.4 | 178.2 | -90.1 | 0 | 0 | 0 | 112.1 | A13 H14 A15 Y19 G20 R21 A361 Y450 | A13-Y17 WeakPolarHBondContact O-CB 3.44Å; A13-Y17 PolarHBondContact O-N 2.97Å; H14-Y17 WeakPolarHBondContact O-CB 3.36Å; H14-Y17 PolarHBondContact O-N 3.33Å; A15-Y17 VanDerWaalsContact C-N 3.32Å; A15-Y17 PolarHBondContact O-N 3.4Å; Y17-Y19 VanDerWaalsContact C-N 3.31Å; Y17-Y19 PolarHBondContact O-N 2.9Å; Y17-G20 PolarHBondContact O-N 2.81Å; Y17-R21 HydrophobicContact CE1-CG 4.42Å; Y17-R21 PolarHBondContact O-N 3.29Å; Y17-R21 VanDerWaalsContact O-N 3.11Å; Y17-R21 PolarHBondContact OH-NE 3.26Å; Y17-A361 WeakPolarHBondContact CA-O 3.24Å; Y17-A361 VanDerWaalsContact CD2-C 3.45Å; Y17-A361 HydrophobicContact CD2-CB 3.56Å; Y17-A361 WeakPolarHBondContact CD2-O 3.25Å; Y17-A361 HydrophobicContact CE2-CB 3.59Å; Y17-A361 HydrophobicContact CG-CB 4.11Å; Y17-A361 VanDerWaalsContact O-CB 3.32Å; Y17-A361 WeakPolarHBondContact O-CB 3.44Å; Y17-Y450 VanDerWaalsContact CD1-CB 3.46Å; Y17-Y450 HydrophobicContact CD1-CD2 4.47Å; Y17-Y450 HydrophobicContact CD1-CG 4.07Å; Y17-Y450 AromaticContact CD2-CD2 3.2Å; Y17-Y450 HydrophobicContact CD2-CD2 3.2Å; Y17-Y450 AromaticContact CD2-CE2 3.93Å; Y17-Y450 HydrophobicContact CD2-CE2 3.93Å; Y17-Y450 AromaticContact CD2-CG 3.64Å; Y17-Y450 HydrophobicContact CD2-CG 3.64Å; Y17-Y450 HydrophobicContact CE1-CG 4.49Å; Y17-Y450 AromaticContact CE2-CD2 3.63Å; Y17-Y450 HydrophobicContact CE2-CD2 3.63Å; Y17-Y450 HydrophobicContact CE2-CG 4.1Å; Y17-Y450 HydrophobicContact CG-CD1 4.39Å; Y17-Y450 AromaticContact CG-CD2 3.7Å; Y17-Y450 HydrophobicContact CG-CD2 3.7Å; Y17-Y450 HydrophobicContact CG-CE2 4.46Å; Y17-Y450 AromaticContact CG-CG 3.63Å; Y17-Y450 HydrophobicContact CG-CG 3.63Å |
| 18 | K | 78.8 | Confident | 78.1 | Confident | 85 Ų | 85 | 52.7 Ų | 52.7 | 37% | 0.37 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 175.7 | -74 | 175.4 | -179.6 | 157.8 | 0 | 111.3 | H14 A15 R21 F22 V453 | H14-K18 WeakPolarHBondContact CE1-CE 3.45Å; H14-K18 PolarHBondContact CE1-NZ 3.3Å; H14-K18 VanDerWaalsContact ND1-CE 3.34Å; H14-K18 WeakPolarHBondContact ND1-CE 3.3Å; H14-K18 PolarHBondContact ND1-NZ 3.49Å; H14-K18 WeakPolarHBondContact O-CG 3.46Å; H14-K18 PolarHBondContact O-N 3.46Å; A15-K18 PolarHBondContact O-N 3.19Å; K18-R21 PolarHBondContact O-N 2.83Å; K18-F22 PolarHBondContact O-N 3.43Å; K18-V453 HydrophobicContact CG-CG2 4.5Å |
| 19 | Y | 83.5 | Confident | 78.8 | Confident | 37 Ų | 37 | 53 Ų | 53 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 178 | -178.5 | -103 | 0 | 0 | 0 | 112.4 | A15 Y16 Y17 R21 F22 C23 L413 F414 | A15-Y19 WeakPolarHBondContact O-CB 3.44Å; A15-Y19 PolarHBondContact O-N 2.96Å; Y16-Y19 PolarHBondContact O-N 3.45Å; Y17-Y19 VanDerWaalsContact C-N 3.31Å; Y17-Y19 PolarHBondContact O-N 2.9Å; Y19-R21 VanDerWaalsContact C-N 3.3Å; Y19-R21 PolarHBondContact O-N 2.88Å; Y19-F22 WeakPolarHBondContact O-CA 3.45Å; Y19-F22 WeakPolarHBondContact O-CB 3.42Å; Y19-F22 PolarHBondContact O-N 3.32Å; Y19-C23 WeakPolarHBondContact CE1-SG 3.09Å; Y19-C23 PolarHBondContact O-N 2.88Å; Y19-C23 PolarHBondContact O-SG 3.5Å; Y19-C23 VanDerWaalsContact O-SG 3.32Å; Y19-L413 HydrophobicContact CD1-CD2 4.15Å; Y19-L413 HydrophobicContact CE1-CB 3.8Å; Y19-L413 HydrophobicContact CE1-CD2 3.86Å; Y19-L413 HydrophobicContact CE1-CG 4.39Å; Y19-L413 WeakPolarHBondContact CE1-O 3Å; Y19-L413 PolarHBondContact OH-O 3.33Å; Y19-F414 HydrophobicContact CE2-CD1 4.46Å; Y19-F414 AromaticContact CE2-CE1 3.91Å; Y19-F414 HydrophobicContact CE2-CE1 3.91Å; Y19-F414 AromaticContact CE2-CZ 3.95Å; Y19-F414 HydrophobicContact CE2-CZ 3.95Å; Y19-F414 WeakPolarHBondContact OH-CA 3.26Å; Y19-F414 WeakPolarHBondContact OH-CD1 3.27Å; Y19-F414 WeakPolarHBondContact OH-CD2 3.31Å; Y19-F414 WeakPolarHBondContact OH-CE1 3.29Å; Y19-F414 WeakPolarHBondContact OH-CG 3.45Å; Y19-F414 PolarHBondContact OH-N 2.87Å |
| 20 | G | 83.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y16 Y17 C23 C24 | Y16-G20 PolarHBondContact O-N 3.31Å; Y17-G20 PolarHBondContact O-N 2.81Å; G20-C23 PolarHBondContact O-N 3.26Å; G20-C24 PolarHBondContact O-N 2.93Å; G20-C24 VanDerWaalsContact O-N 3.09Å; G20-C24 PolarHBondContact O-SG 3.21Å |
| 21 | R | 81.7 | Confident | 80.2 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 171.3 | -79.3 | -158.8 | 157.8 | -154.9 | -4.8 | 112.6 | Y17 K18 Y19 C24 S25 A361 V453 | Y17-R21 HydrophobicContact CE1-CG 4.42Å; Y17-R21 PolarHBondContact O-N 3.29Å; Y17-R21 VanDerWaalsContact O-N 3.11Å; Y17-R21 PolarHBondContact OH-NE 3.26Å; K18-R21 PolarHBondContact O-N 2.83Å; Y19-R21 VanDerWaalsContact C-N 3.3Å; Y19-R21 PolarHBondContact O-N 2.88Å; R21-C24 PolarHBondContact O-N 3.48Å; R21-S25 WeakPolarHBondContact O-CB 3.29Å; R21-S25 PolarHBondContact O-N 3.39Å; R21-A361 HydrophobicContact CB-CB 4.44Å; R21-A361 HydrophobicContact CG-CB 3.57Å; R21-V453 HydrophobicContact CB-CG2 3.92Å; R21-V453 HydrophobicContact CG-CG2 4.33Å |
| 22 | F | 81.5 | Confident | 80.9 | Confident | 96 Ų | 96 | 45.3 Ų | 45.3 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.1 | -48.3 | 176.2 | 174.8 | -101.2 | 0 | 0 | 0 | 111.4 | K18 Y19 C24 S25 R26 T30 | K18-F22 PolarHBondContact O-N 3.43Å; Y19-F22 WeakPolarHBondContact O-CA 3.45Å; Y19-F22 WeakPolarHBondContact O-CB 3.42Å; Y19-F22 PolarHBondContact O-N 3.32Å; F22-C24 VanDerWaalsContact C-N 3.31Å; F22-C24 PolarHBondContact O-N 3.43Å; F22-S25 PolarHBondContact O-N 3.35Å; F22-S25 VanDerWaalsContact O-N 3.15Å; F22-S25 PolarHBondContact O-OG 2.98Å; F22-R26 PolarHBondContact O-N 2.93Å; F22-T30 HydrophobicContact CD1-CG2 4.24Å; F22-T30 HydrophobicContact CE1-CG2 3.77Å |
| 23 | C | 79.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58 | -42.4 | 177.7 | -69.2 | 0 | 0 | 0 | 0 | 112.4 | Y19 G20 R26 P27 P418 | Y19-C23 WeakPolarHBondContact CE1-SG 3.09Å; Y19-C23 PolarHBondContact O-N 2.88Å; Y19-C23 PolarHBondContact O-SG 3.5Å; Y19-C23 VanDerWaalsContact O-SG 3.32Å; G20-C23 PolarHBondContact O-N 3.26Å; C23-R26 CarbonylContact O-C 3.57Å; C23-P27 VanDerWaalsContact O-CA 3.26Å; C23-P27 WeakPolarHBondContact O-CA 3.46Å; C23-P27 VanDerWaalsContact O-N 3.14Å; C23-P418 HydrophobicContact CB-CG 4.28Å |
| 24 | C | 78.2 | Confident | 82.1 | Confident | 16 Ų | 16 | 48 Ų | 48 | 11% | 0.108 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.7 | -27.5 | 179.1 | -61.6 | 0 | 0 | 0 | 0 | 113.4 | G20 R21 F22 R26 P27 C357 V360 A421 | G20-C24 PolarHBondContact O-N 2.93Å; G20-C24 VanDerWaalsContact O-N 3.09Å; G20-C24 PolarHBondContact O-SG 3.21Å; R21-C24 PolarHBondContact O-N 3.48Å; F22-C24 VanDerWaalsContact C-N 3.31Å; F22-C24 PolarHBondContact O-N 3.43Å; C24-R26 VanDerWaalsContact C-N 3.32Å; C24-P27 WeakPolarHBondContact O-CD 3.44Å; C24-C357 HydrophobicContact CB-CB 3.63Å; C24-C357 WeakPolarHBondContact CB-SG 3.18Å; C24-V360 WeakPolarHBondContact SG-CB 3.31Å; C24-A421 WeakPolarHBondContact SG-CB 3.29Å |
| 25 | S | 78.4 | Confident | 82.6 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 51% | 0.51 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -69.9 | -30.4 | 177.9 | 73.3 | 0 | 0 | 0 | 0 | 112.9 | R21 F22 | R21-S25 WeakPolarHBondContact O-CB 3.29Å; R21-S25 PolarHBondContact O-N 3.39Å; F22-S25 PolarHBondContact O-N 3.35Å; F22-S25 VanDerWaalsContact O-N 3.15Å; F22-S25 PolarHBondContact O-OG 2.98Å |
| 26 | R | 79.6 | Confident | 83.1 | Confident | 152 Ų | 152 | 50.8 Ų | 50.8 | 57% | 0.574 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -143.9 | 61.5 | -176.9 | -62.7 | -177.2 | 179.6 | 165.1 | -2 | 111.9 | F22 C23 C24 Y28 A29 T30 | F22-R26 PolarHBondContact O-N 2.93Å; C23-R26 CarbonylContact O-C 3.57Å; C24-R26 VanDerWaalsContact C-N 3.32Å; R26-Y28 VanDerWaalsContact C-N 3.31Å; R26-Y28 PolarHBondContact O-N 3.3Å; R26-A29 HydrophobicContact CB-CB 4.02Å; R26-A29 PolarHBondContact O-N 3.17Å; R26-A29 VanDerWaalsContact O-N 3.16Å; R26-T30 PolarHBondContact O-N 2.88Å; R26-T30 VanDerWaalsContact O-N 3.14Å; R26-T30 PolarHBondContact O-OG1 3.08Å |
| 27 | P | 81.1 | Confident | 83.2 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.6 | -35.5 | -174.1 | 25.9 | -34.3 | 0 | 0 | 0 | 112.2 | C23 C24 A29 T30 L31 P418 | C23-P27 VanDerWaalsContact O-CA 3.26Å; C23-P27 WeakPolarHBondContact O-CA 3.46Å; C23-P27 VanDerWaalsContact O-N 3.14Å; C24-P27 WeakPolarHBondContact O-CD 3.44Å; P27-A29 PolarHBondContact O-N 3.19Å; P27-T30 WeakPolarHBondContact CA-OG1 3.38Å; P27-T30 PolarHBondContact O-N 3.07Å; P27-T30 PolarHBondContact O-OG1 3.33Å; P27-L31 VanDerWaalsContact O-CB 3.31Å; P27-L31 WeakPolarHBondContact O-CB 3.27Å; P27-L31 VanDerWaalsContact O-CG 3.27Å; P27-L31 WeakPolarHBondContact O-CG 3.45Å; P27-L31 PolarHBondContact O-N 2.7Å; P27-P418 HydrophobicContact CB-CB 4.47Å |
| 28 | Y | 83.2 | Confident | 83.5 | Confident | 170 Ų | 170 | 50.8 Ų | 50.8 | 67% | 0.667 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.4 | -37.9 | 176.5 | -64.3 | -72.2 | 0 | 0 | 0 | 112.7 | R26 A32 | R26-Y28 VanDerWaalsContact C-N 3.31Å; R26-Y28 PolarHBondContact O-N 3.3Å; Y28-A32 WeakPolarHBondContact O-CB 3.48Å; Y28-A32 PolarHBondContact O-N 3.11Å |
| 29 | A | 82.1 | Confident | 83.8 | Confident | 59 Ų | 59 | 52.8 Ų | 52.8 | 49% | 0.488 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.8 | -39.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R26 P27 H33 | R26-A29 HydrophobicContact CB-CB 4.02Å; R26-A29 PolarHBondContact O-N 3.17Å; R26-A29 VanDerWaalsContact O-N 3.16Å; P27-A29 PolarHBondContact O-N 3.19Å; A29-H33 VanDerWaalsContact O-CB 3.27Å; A29-H33 WeakPolarHBondContact O-CB 3.28Å; A29-H33 PolarHBondContact O-N 3.31Å |
| 30 | T | 84.6 | Confident | 83.8 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.5 | -41.1 | 176.8 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | F22 R26 P27 H33 S34 P418 | F22-T30 HydrophobicContact CD1-CG2 4.24Å; F22-T30 HydrophobicContact CE1-CG2 3.77Å; R26-T30 PolarHBondContact O-N 2.88Å; R26-T30 VanDerWaalsContact O-N 3.14Å; R26-T30 PolarHBondContact O-OG1 3.08Å; P27-T30 WeakPolarHBondContact CA-OG1 3.38Å; P27-T30 PolarHBondContact O-N 3.07Å; P27-T30 PolarHBondContact O-OG1 3.33Å; T30-H33 PolarHBondContact O-N 3.22Å; T30-S34 PolarHBondContact O-N 3.24Å; T30-S34 PolarHBondContact O-OG 3.21Å; T30-S34 VanDerWaalsContact O-OG 3.1Å; T30-P418 VanDerWaalsContact OG1-CG 3.27Å; T30-P418 WeakPolarHBondContact OG1-CG 3.46Å |
| 31 | L | 86.7 | Confident | 83.9 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 173.8 | -73.9 | 171 | 0 | 0 | 0 | 112.6 | P27 H33 S34 L35 F415 P418 | P27-L31 VanDerWaalsContact O-CB 3.31Å; P27-L31 WeakPolarHBondContact O-CB 3.27Å; P27-L31 VanDerWaalsContact O-CG 3.27Å; P27-L31 WeakPolarHBondContact O-CG 3.45Å; P27-L31 PolarHBondContact O-N 2.7Å; L31-H33 VanDerWaalsContact C-N 3.29Å; L31-H33 PolarHBondContact O-N 2.88Å; L31-S34 WeakPolarHBondContact CA-OG 3.35Å; L31-S34 PolarHBondContact O-N 3.44Å; L31-S34 PolarHBondContact O-OG 3Å; L31-S34 VanDerWaalsContact O-OG 3.05Å; L31-L35 WeakPolarHBondContact O-CB 3.48Å; L31-L35 VanDerWaalsContact O-CG 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 3.17Å; L31-F415 HydrophobicContact CD2-CD2 3.61Å; L31-F415 HydrophobicContact CD2-CE2 3.87Å; L31-F415 HydrophobicContact CD2-CG 4.3Å; L31-P418 HydrophobicContact CD1-CB 4.33Å; L31-P418 HydrophobicContact CD2-CB 3.98Å; L31-P418 HydrophobicContact CG-CB 3.79Å |
| 32 | A | 85.9 | Confident | 84 | Confident | 61 Ų | 61 | 53.2 Ų | 53.2 | 50% | 0.504 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y28 S36 | Y28-A32 WeakPolarHBondContact O-CB 3.48Å; Y28-A32 PolarHBondContact O-N 3.11Å; A32-S36 WeakPolarHBondContact O-CB 3.49Å; A32-S36 PolarHBondContact O-N 2.92Å |
| 33 | H | 86.8 | Confident | 83.9 | Confident | 65 Ų | 65 | 52.9 Ų | 52.9 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 174.9 | -178.6 | -79.8 | 0 | 0 | 0 | 111.9 | A29 T30 L31 S36 M37 Y410 | A29-H33 VanDerWaalsContact O-CB 3.27Å; A29-H33 WeakPolarHBondContact O-CB 3.28Å; A29-H33 PolarHBondContact O-N 3.31Å; T30-H33 PolarHBondContact O-N 3.22Å; L31-H33 VanDerWaalsContact C-N 3.29Å; L31-H33 PolarHBondContact O-N 2.88Å; H33-S36 PolarHBondContact O-N 3.14Å; H33-M37 WeakPolarHBondContact O-CB 3.35Å; H33-M37 VanDerWaalsContact O-CG 3.26Å; H33-M37 WeakPolarHBondContact O-CG 3.49Å; H33-M37 PolarHBondContact O-N 3.14Å; H33-Y410 PolarHBondContact CE1-OH 3.11Å; H33-Y410 VanDerWaalsContact CE1-OH 3.22Å; H33-Y410 PolarHBondContact ND1-OH 2.76Å; H33-Y410 VanDerWaalsContact ND1-OH 3.09Å |
| 34 | S | 89 | Confident | 83.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 179.3 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | T30 L31 S36 M37 V38 F414 | T30-S34 PolarHBondContact O-N 3.24Å; T30-S34 PolarHBondContact O-OG 3.21Å; T30-S34 VanDerWaalsContact O-OG 3.1Å; L31-S34 WeakPolarHBondContact CA-OG 3.35Å; L31-S34 PolarHBondContact O-N 3.44Å; L31-S34 PolarHBondContact O-OG 3Å; L31-S34 VanDerWaalsContact O-OG 3.05Å; S34-S36 PolarHBondContact O-N 3.3Å; S34-M37 PolarHBondContact O-N 2.75Å; S34-V38 VanDerWaalsContact O-CG2 3.3Å; S34-V38 WeakPolarHBondContact O-CG2 3.39Å; S34-V38 PolarHBondContact O-N 3.42Å; S34-F414 WeakPolarHBondContact CB-O 3.15Å; S34-F414 PolarHBondContact OG-O 3.44Å |
| 35 | L | 88.4 | Confident | 83.2 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 175.5 | -70.8 | 172.7 | 0 | 0 | 0 | 112.3 | L31 V38 L39 L304 F415 | L31-L35 WeakPolarHBondContact O-CB 3.48Å; L31-L35 VanDerWaalsContact O-CG 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 3.17Å; L35-V38 PolarHBondContact O-N 3.42Å; L35-L39 WeakPolarHBondContact O-CG 3.44Å; L35-L39 PolarHBondContact O-N 3.12Å; L35-L304 HydrophobicContact CD2-CD1 4.08Å; L35-F415 HydrophobicContact CD2-CD2 4.38Å; L35-F415 HydrophobicContact CD2-CE2 3.91Å; L35-F415 HydrophobicContact CG-CE2 4.25Å |
| 36 | S | 87.1 | Confident | 82.6 | Confident | 45 Ų | 45 | 57.2 Ų | 57.2 | 32% | 0.315 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.5 | -48 | 173.8 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | A32 H33 S34 V38 L39 F40 | A32-S36 WeakPolarHBondContact O-CB 3.49Å; A32-S36 PolarHBondContact O-N 2.92Å; H33-S36 PolarHBondContact O-N 3.14Å; S34-S36 PolarHBondContact O-N 3.3Å; S36-V38 VanDerWaalsContact C-N 3.33Å; S36-V38 PolarHBondContact O-N 2.88Å; S36-L39 PolarHBondContact O-N 2.85Å; S36-F40 WeakPolarHBondContact O-CD2 3.16Å; S36-F40 PolarHBondContact O-N 2.86Å; S36-F40 VanDerWaalsContact OG-CE2 3.29Å; S36-F40 WeakPolarHBondContact OG-CE2 3.42Å |
| 37 | M | 85.8 | Confident | 81.7 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 7% | 0.074 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 177 | -74.1 | -67.3 | 143.2 | 0 | 0 | 112.4 | H33 S34 F40 L41 T665 | H33-M37 WeakPolarHBondContact O-CB 3.35Å; H33-M37 VanDerWaalsContact O-CG 3.26Å; H33-M37 WeakPolarHBondContact O-CG 3.49Å; H33-M37 PolarHBondContact O-N 3.14Å; S34-M37 PolarHBondContact O-N 2.75Å; M37-F40 PolarHBondContact O-N 2.84Å; M37-L41 WeakPolarHBondContact O-CB 3.3Å; M37-L41 WeakPolarHBondContact O-CG 3.44Å; M37-L41 PolarHBondContact O-N 3.04Å; M37-T665 HydrophobicContact CE-CG2 3.97Å; M37-T665 HydrophobicContact SD-CG2 4.26Å |
| 38 | V | 87.9 | Confident | 80.7 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | S34 L35 S36 F40 L41 S42 L304 M308 M411 | S34-V38 VanDerWaalsContact O-CG2 3.3Å; S34-V38 WeakPolarHBondContact O-CG2 3.39Å; S34-V38 PolarHBondContact O-N 3.42Å; L35-V38 PolarHBondContact O-N 3.42Å; S36-V38 VanDerWaalsContact C-N 3.33Å; S36-V38 PolarHBondContact O-N 2.88Å; V38-F40 VanDerWaalsContact C-N 3.32Å; V38-F40 PolarHBondContact O-N 2.88Å; V38-L41 PolarHBondContact O-N 2.69Å; V38-S42 WeakPolarHBondContact O-CB 3.44Å; V38-S42 PolarHBondContact O-N 3.4Å; V38-S42 PolarHBondContact O-OG 2.97Å; V38-L304 HydrophobicContact CB-CD2 4.46Å; V38-L304 HydrophobicContact CG1-CB 4.3Å; V38-L304 HydrophobicContact CG1-CD2 3.7Å; V38-L304 HydrophobicContact CG2-CB 4.13Å; V38-M308 HydrophobicContact CG2-SD 4.49Å; V38-M411 HydrophobicContact CG2-CE 3.81Å; V38-M411 HydrophobicContact CG2-SD 3.63Å |
| 39 | L | 86.1 | Confident | 79.3 | Confident | 126 Ų | 126 | 50.8 Ų | 50.8 | 66% | 0.66 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.6 | -42 | 177.1 | -71.6 | 171.7 | 0 | 0 | 0 | 111.9 | L35 S36 S42 Y43 | L35-L39 WeakPolarHBondContact O-CG 3.44Å; L35-L39 PolarHBondContact O-N 3.12Å; S36-L39 PolarHBondContact O-N 2.85Å; L39-S42 PolarHBondContact O-OG 2.87Å; L39-Y43 PolarHBondContact O-N 2.83Å; L39-Y43 VanDerWaalsContact O-N 3.1Å |
| 40 | F | 83.6 | Confident | 77.8 | Confident | 80 Ų | 80 | 57 Ų | 57 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67 | -48.4 | 177.5 | -80.4 | -65.4 | 0 | 0 | 0 | 112.5 | S36 M37 V38 Y43 V661 L662 | S36-F40 WeakPolarHBondContact O-CD2 3.16Å; S36-F40 PolarHBondContact O-N 2.86Å; S36-F40 VanDerWaalsContact OG-CE2 3.29Å; S36-F40 WeakPolarHBondContact OG-CE2 3.42Å; M37-F40 PolarHBondContact O-N 2.84Å; V38-F40 VanDerWaalsContact C-N 3.32Å; V38-F40 PolarHBondContact O-N 2.88Å; F40-Y43 WeakPolarHBondContact O-CB 3.36Å; F40-Y43 PolarHBondContact O-N 2.89Å; F40-V661 HydrophobicContact CD1-CG1 4.38Å; F40-V661 HydrophobicContact CE1-CG1 4.13Å; F40-L662 VanDerWaalsContact O-CD1 3.24Å; F40-L662 WeakPolarHBondContact O-CD1 3.46Å |
| 41 | L | 84.6 | Confident | 76.3 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -75.8 | -24.5 | -176.1 | -69.6 | 169.8 | 0 | 0 | 0 | 113 | M37 V38 P44 M308 G311 I312 C666 | M37-L41 WeakPolarHBondContact O-CB 3.3Å; M37-L41 WeakPolarHBondContact O-CG 3.44Å; M37-L41 PolarHBondContact O-N 3.04Å; V38-L41 PolarHBondContact O-N 2.69Å; L41-P44 VanDerWaalsContact O-CD 3.3Å; L41-P44 WeakPolarHBondContact O-CD 3.49Å; L41-M308 HydrophobicContact CB-CG 3.72Å; L41-M308 HydrophobicContact CD1-CG 3.53Å; L41-M308 HydrophobicContact CD1-SD 3.44Å; L41-M308 WeakPolarHBondContact CD1-SD 3.39Å; L41-M308 HydrophobicContact CG-CG 4.27Å; L41-G311 CarbonylContact O-C 3.58Å; L41-G311 VanDerWaalsContact O-CA 3.22Å; L41-G311 WeakPolarHBondContact O-CA 3.41Å; L41-I312 HydrophobicContact CD1-CD1 4.42Å; L41-I312 HydrophobicContact CD2-CD1 4.48Å; L41-I312 HydrophobicContact CD2-CG1 4.07Å; L41-C666 WeakPolarHBondContact CD2-SG 3.49Å |
| 42 | S | 84 | Confident | 74.8 | Confident | 18 Ų | 18 | 66.5 Ų | 66.5 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -86.1 | -13.3 | 172.9 | 65.5 | 0 | 0 | 0 | 0 | 113.5 | V38 L39 P44 L45 | V38-S42 WeakPolarHBondContact O-CB 3.44Å; V38-S42 PolarHBondContact O-N 3.4Å; V38-S42 PolarHBondContact O-OG 2.97Å; L39-S42 PolarHBondContact O-OG 2.87Å; S42-P44 VanDerWaalsContact C-N 3.31Å; S42-L45 WeakPolarHBondContact O-CB 3.48Å; S42-L45 PolarHBondContact O-N 2.99Å |
| 43 | Y | 79.5 | Confident | 73.2 | Confident | 89 Ų | 89 | 63.8 Ų | 63.8 | 35% | 0.349 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -50.3 | -41.9 | 176.8 | 174.3 | -99.2 | 0 | 0 | 0 | 114.3 | L39 F40 L45 L46 C47 M658 | L39-Y43 PolarHBondContact O-N 2.83Å; L39-Y43 VanDerWaalsContact O-N 3.1Å; F40-Y43 WeakPolarHBondContact O-CB 3.36Å; F40-Y43 PolarHBondContact O-N 2.89Å; Y43-L45 PolarHBondContact O-N 3.03Å; Y43-L45 VanDerWaalsContact O-N 3.08Å; Y43-L46 HydrophobicContact CD2-CD1 4.31Å; Y43-L46 WeakPolarHBondContact O-CB 3.41Å; Y43-L46 PolarHBondContact O-N 3.4Å; Y43-C47 PolarHBondContact O-N 2.83Å; Y43-M658 HydrophobicContact CD1-CE 3.44Å; Y43-M658 VanDerWaalsContact CD1-CE 3.44Å; Y43-M658 HydrophobicContact CD2-CE 3.75Å; Y43-M658 HydrophobicContact CE1-CE 3.19Å; Y43-M658 HydrophobicContact CE1-SD 3.75Å; Y43-M658 HydrophobicContact CE2-CE 3.53Å; Y43-M658 HydrophobicContact CE2-SD 4.33Å; Y43-M658 HydrophobicContact CG-CE 3.7Å; Y43-M658 PolarHBondContact OH-SD 3.07Å |
| 44 | P | 75.1 | Confident | 71.7 | Confident | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.1 | -28.9 | 175.4 | -25.8 | 35.5 | 0 | 0 | 0 | 113.5 | L41 S42 C47 A48 V314 H315 L662 | L41-P44 VanDerWaalsContact O-CD 3.3Å; L41-P44 WeakPolarHBondContact O-CD 3.49Å; S42-P44 VanDerWaalsContact C-N 3.31Å; P44-C47 CarbonylContact O-C 3.13Å; P44-C47 PolarHBondContact O-N 3.05Å; P44-A48 VanDerWaalsContact O-CB 3.27Å; P44-A48 WeakPolarHBondContact O-CB 3.39Å; P44-A48 PolarHBondContact O-N 3.11Å; P44-V314 HydrophobicContact CB-CB 4.38Å; P44-V314 HydrophobicContact CB-CG1 4.02Å; P44-H315 HydrophobicContact CB-CB 4.34Å; P44-H315 HydrophobicContact CG-CB 4.08Å; P44-L662 HydrophobicContact CG-CD1 3.85Å |
| 45 | L | 68.5 | Low | 70.1 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.4 | -33.3 | 175.6 | -66.9 | 161.8 | 0 | 0 | 0 | 113.3 | S42 Y43 C47 A48 W50 L307 A310 V314 | S42-L45 WeakPolarHBondContact O-CB 3.48Å; S42-L45 PolarHBondContact O-N 2.99Å; Y43-L45 PolarHBondContact O-N 3.03Å; Y43-L45 VanDerWaalsContact O-N 3.08Å; L45-C47 VanDerWaalsContact C-N 3.27Å; L45-A48 PolarHBondContact O-N 3.32Å; L45-W50 PolarHBondContact O-NE1 3.24Å; L45-L307 HydrophobicContact CD1-CD2 4.24Å; L45-L307 WeakPolarHBondContact CD1-O 3.35Å; L45-A310 HydrophobicContact CD1-CB 3.97Å; L45-A310 HydrophobicContact CD2-CB 3.84Å; L45-A310 HydrophobicContact CG-CB 4.44Å; L45-V314 HydrophobicContact CD2-CG2 3.97Å |
| 46 | L | 65.4 | Low | 68.5 | Low | 143 Ų | 143 | 61.6 Ų | 61.6 | 75% | 0.749 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.3 | -32.7 | 175.6 | -64.7 | 169.7 | 0 | 0 | 0 | 110.8 | Y43 | Y43-L46 HydrophobicContact CD2-CD1 4.31Å; Y43-L46 WeakPolarHBondContact O-CB 3.41Å; Y43-L46 PolarHBondContact O-N 3.4Å |
| 47 | C | 60.8 | Low | 67.2 | Low | 83 Ų | 83 | 60.4 Ų | 60.4 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -85 | -19.1 | 173.4 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | Y43 P44 L45 | Y43-C47 PolarHBondContact O-N 2.83Å; P44-C47 CarbonylContact O-C 3.13Å; P44-C47 PolarHBondContact O-N 3.05Å; L45-C47 VanDerWaalsContact C-N 3.27Å |
| 48 | A | 59.1 | Low | 66 | Low | 14 Ų | 14 | 61.8 Ų | 61.8 | 12% | 0.116 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -75.4 | 139.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P44 L45 W50 V314 R321 | P44-A48 VanDerWaalsContact O-CB 3.27Å; P44-A48 WeakPolarHBondContact O-CB 3.39Å; P44-A48 PolarHBondContact O-N 3.11Å; L45-A48 PolarHBondContact O-N 3.32Å; A48-W50 PolarHBondContact O-N 3.23Å; A48-V314 HydrophobicContact CB-CB 4.48Å; A48-V314 HydrophobicContact CB-CG1 3.57Å; A48-V314 HydrophobicContact CB-CG2 4.1Å; A48-R321 VanDerWaalsContact CB-NH2 3.25Å |
| 49 | R | 53.8 | Low | 64.9 | Low | 115 Ų | 115 | 61.5 Ų | 61.5 | 43% | 0.434 | 30% | 0.298 | S | S | . | . | trans | -74.1 | 127.8 | 168.5 | -67.3 | -171 | -175.4 | 139.1 | 14.6 | 110.4 | R321 S589 | R49-R321 PolarHBondContact O-NH1 3.17Å; R49-R321 PolarHBondContact O-NH2 3.28Å; R49-S589 VanDerWaalsContact CZ-CA 3.41Å; R49-S589 VanDerWaalsContact NH1-CB 3.32Å; R49-S589 VanDerWaalsContact NH1-N 3.18Å | ||
| 50 | W | 51.7 | Low | 63.7 | Low | 189 Ų | 189 | 59.8 Ų | 59.8 | 72% | 0.716 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -75.7 | -32.5 | -173.5 | -75.5 | 53.8 | 0 | 0 | 0 | 112.5 | L45 A48 | L45-W50 PolarHBondContact O-NE1 3.24Å; A48-W50 PolarHBondContact O-N 3.23Å |
| 51 | F | 52.4 | Low | 62.8 | Low | 129 Ų | 129 | 56.5 Ų | 56.5 | 57% | 0.566 | 27% | 0.272 | S | S | * | . | trans | -98.6 | 130.2 | 177.2 | -55.6 | -78.8 | 0 | 0 | 0 | 109.4 | N595 | F51-N595 VanDerWaalsContact CB-ND2 3.31Å; F51-N595 WeakPolarHBondContact CB-ND2 3.42Å | ||
| 52 | Y | 55.3 | Low | 61.7 | Low | 106 Ų | 106 | 60.9 Ų | 60.9 | 42% | 0.416 | 30% | 0.303 | S | S | . | . | trans | -115.8 | 115.2 | 168.4 | -93.1 | -84 | 0 | 0 | 0 | 107.8 | S54 | Y52-S54 PolarHBondContact O-N 2.71Š| ||
| 53 | P | 53 | Low | 60.6 | Low | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | trans | -69.8 | 114 | 174.1 | 27.3 | -33.2 | 0 | 0 | 0 | 108.7 | Y255 A584 E588 V594 N595 | P53-Y255 HydrophobicContact CB-CD1 3.65Å; P53-Y255 HydrophobicContact CB-CE1 4.36Å; P53-Y255 HydrophobicContact CB-CG 4.06Å; P53-A584 HydrophobicContact CB-CB 4.27Å; P53-A584 HydrophobicContact CG-CB 3.62Å; P53-E588 VanDerWaalsContact CD-CD 3.46Å; P53-E588 WeakPolarHBondContact CD-OE1 3.35Å; P53-E588 WeakPolarHBondContact CD-OE2 3.41Å; P53-E588 HydrophobicContact CG-CG 4.16Å; P53-V594 HydrophobicContact CB-CB 4.47Å; P53-N595 WeakPolarHBondContact CA-OD1 3.39Å; P53-N595 WeakPolarHBondContact CB-OD1 3.24Å | ||
| 54 | S | 55.6 | Low | 59.6 | Low | 28 Ų | 28 | 63 Ų | 63 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | trans | -93.7 | 129.7 | 167.4 | 58.4 | 0 | 0 | 0 | 0 | 109.3 | Y52 C56 K258 | Y52-S54 PolarHBondContact O-N 2.71Å; S54-C56 PolarHBondContact O-N 3.07Å; S54-K258 VanDerWaalsContact OG-CD 3.24Å; S54-K258 WeakPolarHBondContact OG-CD 3.34Å; S54-K258 WeakPolarHBondContact OG-CE 3.4Å | ||
| 55 | P | 54 | Low | 58.7 | Low | 36 Ų | 36 | 67.2 Ų | 67.2 | 23% | 0.234 | 35% | 0.35 | C | S | . | . | trans | -65 | 129.3 | 171.5 | 28.1 | -32.2 | 0 | 0 | 0 | 108.6 | I253 Y255 | P55-I253 HydrophobicContact CB-CG2 3.64Å; P55-Y255 HydrophobicContact CB-CD1 4.28Å; P55-Y255 HydrophobicContact CB-CE1 3.99Å; P55-Y255 HydrophobicContact CG-CE1 4.47Å | ||
| 56 | C | 56.2 | Low | 58.2 | Low | 29 Ų | 29 | 69.9 Ų | 69.9 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | trans | -115.8 | -37.5 | -176.8 | -74.5 | 0 | 0 | 0 | 0 | 112.9 | S54 Y254 K256 | S54-C56 PolarHBondContact O-N 3.07Å; C56-Y254 PolarHBondContact N-O 3.36Å; C56-Y254 VanDerWaalsContact N-O 3.09Å; C56-K256 HydrophobicContact CB-CB 3.94Å | ||
| 57 | V | 58.5 | Low | 57.6 | Low | 21 Ų | 21 | 71.6 Ų | 71.6 | 13% | 0.127 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 121.8 | -177.1 | -169.9 | 0 | 0 | 0 | 0 | 108.4 | V59 W75 Y254 | V57-V59 HydrophobicContact CG1-CG2 3.68Å; V57-W75 HydrophobicContact CB-CZ2 4.42Å; V57-W75 HydrophobicContact CG1-CZ2 4.25Å; V57-Y254 PolarHBondContact O-N 3.21Å |
| 58 | L | 61.5 | Low | 57.2 | Low | 43 Ų | 43 | 68.1 Ų | 68.1 | 23% | 0.225 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 109.4 | 172.5 | -72.2 | 90.2 | 0 | 0 | 0 | 107 | L251 Y580 | L58-L251 HydrophobicContact CB-CD1 3.9Å; L58-L251 HydrophobicContact CD2-CD1 4.04Å; L58-L251 HydrophobicContact CD2-CD2 4.44Å; L58-L251 HydrophobicContact CG-CD1 4.27Å; L58-Y580 HydrophobicContact CD2-CD2 3.94Å; L58-Y580 HydrophobicContact CD2-CE2 3.45Å; L58-Y580 VanDerWaalsContact CD2-CE2 3.45Å |
| 59 | V | 63.7 | Low | 56.9 | Low | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 116.3 | 176.1 | -170.8 | 0 | 0 | 0 | 0 | 107.9 | V57 T61 L73 W75 H252 V564 | V57-V59 HydrophobicContact CG1-CG2 3.68Å; V59-T61 HydrophobicContact CG1-CG2 3.85Å; V59-L73 HydrophobicContact CG2-CD2 3.69Å; V59-W75 HydrophobicContact CG2-CH2 3.8Å; V59-W75 HydrophobicContact CG2-CZ2 3.88Å; V59-H252 HydrophobicContact CB-CB 4.43Å; V59-H252 PolarHBondContact N-O 3.38Å; V59-H252 PolarHBondContact O-N 2.85Å; V59-V564 HydrophobicContact CG1-CG1 4.36Å |
| 60 | K | 62.5 | Low | 57 | Low | 90 Ų | 90 | 72.3 Ų | 72.3 | 39% | 0.391 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 114.3 | 173.1 | -165.7 | 179.5 | -179.3 | -170.7 | 0 | 108.6 | E247 I250 | K60-E247 VanDerWaalsContact NZ-CB 3.34Å; K60-E247 PolarHBondContact NZ-O 3.17Å; K60-E247 IonicContact NZ-OE2 2.65Å; K60-E247 PolarHBondContact NZ-OE2 2.99Å; K60-I250 CarbonylContact C-O 3.55Å; K60-I250 WeakPolarHBondContact CA-O 3.24Å |
| 61 | T | 63 | Low | 57.2 | Low | 12 Ų | 12 | 70.2 Ų | 70.2 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 156.2 | 178.1 | 61.5 | 0 | 0 | 0 | 0 | 109.8 | V59 N63 Y66 G249 I250 H252 | V59-T61 HydrophobicContact CG1-CG2 3.85Å; T61-N63 PolarHBondContact OG1-O 3.18Å; T61-Y66 HydrophobicContact CG2-CD2 4.38Å; T61-Y66 HydrophobicContact CG2-CG 4.23Å; T61-G249 CarbonylContact O-C 3.59Å; T61-G249 VanDerWaalsContact O-CA 3.26Å; T61-G249 WeakPolarHBondContact O-CA 3.49Å; T61-I250 PolarHBondContact N-O 3.35Å; T61-I250 PolarHBondContact O-N 3.48Å; T61-I250 PolarHBondContact OG1-O 3.06Å; T61-H252 PolarHBondContact OG1-CD2 3.43Å; T61-H252 VanDerWaalsContact OG1-CD2 3.24Å; T61-H252 PolarHBondContact OG1-NE2 2.86Å |
| 62 | S | 63 | Low | 57.5 | Low | 94 Ų | 94 | 70.9 Ų | 70.9 | 66% | 0.657 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -84.7 | -19.5 | 174 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 63 | N | 61.1 | Low | 57.9 | Low | 104 Ų | 104 | 66.6 Ų | 66.6 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -128.8 | 147.5 | -174.1 | -71 | -17.7 | 0 | 0 | 0 | 112.7 | T61 S65 | T61-N63 PolarHBondContact OG1-O 3.18Å; N63-S65 VanDerWaalsContact C-N 3.3Å; N63-S65 PolarHBondContact O-N 3.45Å |
| 64 | V | 58.4 | Low | 58.4 | Low | 46 Ų | 46 | 69.1 Ų | 69.1 | 28% | 0.279 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -67.1 | -32.9 | -177.9 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | Y84 A219 I250 L602 | V64-Y84 HydrophobicContact CG1-CE1 4.1Å; V64-A219 HydrophobicContact CG1-CB 3.67Å; V64-I250 HydrophobicContact CB-CD1 4.23Å; V64-I250 HydrophobicContact CG2-CD1 3.52Å; V64-L602 HydrophobicContact CG2-CD2 4.01Å |
| 65 | S | 55.2 | Low | 58.9 | Low | 103 Ų | 103 | 69 Ų | 69 | 72% | 0.72 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -102.1 | 110.7 | 173 | 56.1 | 0 | 0 | 0 | 0 | 108.8 | N63 | N63-S65 VanDerWaalsContact C-N 3.3Å; N63-S65 PolarHBondContact O-N 3.45Å |
| 66 | Y | 58.1 | Low | 59.5 | Low | 78 Ų | 78 | 68.1 Ų | 68.1 | 31% | 0.306 | 38% | 0.379 | S | S | . | . | trans | -116.6 | 138.9 | 173.9 | 177.8 | -103 | 0 | 0 | 0 | 108.2 | T61 S68 L76 N77 | T61-Y66 HydrophobicContact CG2-CD2 4.38Å; T61-Y66 HydrophobicContact CG2-CG 4.23Å; Y66-S68 WeakPolarHBondContact CE1-OG 3.36Å; Y66-L76 HydrophobicContact CD1-CD2 3.6Å; Y66-L76 HydrophobicContact CE1-CD2 4.35Å; Y66-L76 HydrophobicContact CG-CD2 4.32Å; Y66-N77 PolarHBondContact O-OD1 3.24Å | ||
| 67 | Q | 53 | Low | 60 | Low | 180 Ų | 180 | 70 Ų | 70 | 84% | 0.841 | 39% | 0.387 | S | S | * | . | trans | -120.9 | 96.9 | 171.3 | -89.2 | 178.1 | -33.2 | 0 | 0 | 107.4 | ||||
| 68 | S | 52 | Low | 60.4 | Low | 10 Ų | 10 | 75.2 Ų | 75.2 | 7% | 0.07 | 41% | 0.414 | C | S | . | . | trans | -82.1 | 144.6 | 166.9 | 37.6 | 0 | 0 | 0 | 0 | 111.6 | Y66 A70 L73 N77 | Y66-S68 WeakPolarHBondContact CE1-OG 3.36Å; S68-A70 VanDerWaalsContact C-N 3.35Å; S68-L73 VanDerWaalsContact OG-CB 3.3Å; S68-L73 WeakPolarHBondContact OG-CB 3.47Å; S68-N77 PolarHBondContact O-ND2 3.44Å | ||
| 69 | N | 52.3 | Low | 60.7 | Low | 169 Ų | 169 | 76.9 Ų | 76.9 | 90% | 0.904 | 42% | 0.423 | S | S | * | . | trans | -89.8 | 2.9 | 163.5 | -69.8 | -9.9 | 0 | 0 | 0 | 113 | ||||
| 70 | A | 56 | Low | 61.1 | Low | 47 Ų | 47 | 82.7 Ų | 82.7 | 39% | 0.388 | 45% | 0.451 | S | S | . | . | trans | -81.4 | 124.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | S68 D72 L73 | S68-A70 VanDerWaalsContact C-N 3.35Å; A70-D72 PolarHBondContact O-N 3.11Å; A70-L73 PolarHBondContact O-N 3.33Å; A70-L73 VanDerWaalsContact O-N 3.17Å | ||
| 71 | D | 56.5 | Low | 61.7 | Low | 145 Ų | 145 | 79 Ų | 79 | 78% | 0.775 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -55.9 | -31.1 | 176.7 | -73.8 | -26 | 0 | 0 | 0 | 112 | L73 S74 | D71-L73 PolarHBondContact O-N 2.95Å; D71-S74 WeakPolarHBondContact O-CB 3.49Å; D71-S74 PolarHBondContact O-N 2.98Å; D71-S74 PolarHBondContact O-OG 3.21Å; D71-S74 VanDerWaalsContact O-OG 3.11Å |
| 72 | D | 57.7 | Low | 62.3 | Low | 143 Ų | 143 | 79 Ų | 79 | 77% | 0.765 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -64.3 | -22.9 | -178.8 | -62.1 | -30.2 | 0 | 0 | 0 | 114.2 | A70 W75 | A70-D72 PolarHBondContact O-N 3.11Å; D72-W75 PolarHBondContact O-NE1 3.07Å |
| 73 | L | 64 | Low | 63 | Low | 16 Ų | 16 | 74.5 Ų | 74.5 | 8% | 0.084 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -110.2 | 16 | -176.3 | -74.2 | 159.3 | 0 | 0 | 0 | 113.2 | V59 S68 A70 D71 W75 L76 | V59-L73 HydrophobicContact CG2-CD2 3.69Å; S68-L73 VanDerWaalsContact OG-CB 3.3Å; S68-L73 WeakPolarHBondContact OG-CB 3.47Å; A70-L73 PolarHBondContact O-N 3.33Å; A70-L73 VanDerWaalsContact O-N 3.17Å; D71-L73 PolarHBondContact O-N 2.95Å; L73-W75 HydrophobicContact CD2-CH2 4.3Å; L73-W75 HydrophobicContact CD2-CZ2 3.54Å; L73-W75 PolarHBondContact O-N 3.06Å; L73-W75 VanDerWaalsContact O-N 3.08Å; L73-L76 WeakPolarHBondContact O-CB 3.26Å; L73-L76 PolarHBondContact O-N 3.22Å |
| 74 | S | 64.6 | Low | 63.9 | Low | 58 Ų | 58 | 69.9 Ų | 69.9 | 41% | 0.406 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -52.3 | -31.6 | -179.8 | 51.5 | 0 | 0 | 0 | 0 | 114.7 | D71 L76 N77 N78 | D71-S74 WeakPolarHBondContact O-CB 3.49Å; D71-S74 PolarHBondContact O-N 2.98Å; D71-S74 PolarHBondContact O-OG 3.21Å; D71-S74 VanDerWaalsContact O-OG 3.11Å; S74-L76 VanDerWaalsContact C-N 3.28Å; S74-L76 PolarHBondContact O-N 2.73Å; S74-N77 PolarHBondContact O-N 2.65Å; S74-N78 WeakPolarHBondContact O-CB 3.45Å; S74-N78 PolarHBondContact O-N 3.49Å; S74-N78 VanDerWaalsContact O-N 3.13Å; S74-N78 PolarHBondContact O-ND2 3.1Å |
| 75 | W | 64.6 | Low | 65 | Low | 26 Ų | 26 | 67.7 Ų | 67.7 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63 | -29 | 176.8 | 54.8 | -93.1 | 0 | 0 | 0 | 113.6 | V57 V59 D72 L73 D79 Y254 F598 | V57-W75 HydrophobicContact CB-CZ2 4.42Å; V57-W75 HydrophobicContact CG1-CZ2 4.25Å; V59-W75 HydrophobicContact CG2-CH2 3.8Å; V59-W75 HydrophobicContact CG2-CZ2 3.88Å; D72-W75 PolarHBondContact O-NE1 3.07Å; L73-W75 HydrophobicContact CD2-CH2 4.3Å; L73-W75 HydrophobicContact CD2-CZ2 3.54Å; L73-W75 PolarHBondContact O-N 3.06Å; L73-W75 VanDerWaalsContact O-N 3.08Å; W75-D79 PolarHBondContact O-N 3.25Å; W75-Y254 HydrophobicContact CB-CD2 4.25Å; W75-Y254 HydrophobicContact CB-CE2 3.78Å; W75-Y254 HydrophobicContact CD2-CD1 4.45Å; W75-Y254 AromaticContact CD2-CD2 3.55Å; W75-Y254 HydrophobicContact CD2-CD2 3.55Å; W75-Y254 HydrophobicContact CD2-CE2 4Å; W75-Y254 AromaticContact CD2-CG 3.81Å; W75-Y254 HydrophobicContact CD2-CG 3.81Å; W75-Y254 AromaticContact CE2-CG 3.95Å; W75-Y254 AromaticContact CE3-CD2 3.5Å; W75-Y254 HydrophobicContact CE3-CD2 3.5Å; W75-Y254 HydrophobicContact CE3-CE2 4.23Å; W75-Y254 AromaticContact CE3-CG 3.95Å; W75-Y254 HydrophobicContact CE3-CG 3.95Å; W75-Y254 AromaticContact CG-CD2 3.89Å; W75-Y254 HydrophobicContact CG-CD2 3.89Å; W75-Y254 AromaticContact CG-CE2 3.82Å; W75-Y254 HydrophobicContact CG-CE2 3.82Å; W75-Y254 HydrophobicContact CG-CG 4.32Å; W75-Y254 HydrophobicContact CH2-CG 4.37Å; W75-Y254 HydrophobicContact CZ2-CG 4.22Å; W75-Y254 HydrophobicContact CZ3-CD2 4.11Å; W75-Y254 HydrophobicContact CZ3-CG 4.24Å; W75-F598 HydrophobicContact CE3-CB 4.07Å; W75-F598 AromaticContact CE3-CD1 3.74Å; W75-F598 HydrophobicContact CE3-CD1 3.74Å; W75-F598 HydrophobicContact CE3-CE1 4.4Å; W75-F598 HydrophobicContact CE3-CG 4.02Å; W75-F598 HydrophobicContact CZ3-CB 3.79Å; W75-F598 HydrophobicContact CZ3-CD1 4.07Å; W75-F598 HydrophobicContact CZ3-CD2 4.43Å; W75-F598 AromaticContact CZ3-CG 3.87Å; W75-F598 HydrophobicContact CZ3-CG 3.87Å; W75-F598 WeakPolarHBondContact O-CE1 3.38Å |
| 76 | L | 68.1 | Low | 66.3 | Low | 17 Ų | 17 | 62.8 Ų | 62.8 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -75.3 | -29.6 | 180 | -175.5 | 57.9 | 0 | 0 | 0 | 112 | Y66 L73 S74 H252 F598 | Y66-L76 HydrophobicContact CD1-CD2 3.6Å; Y66-L76 HydrophobicContact CE1-CD2 4.35Å; Y66-L76 HydrophobicContact CG-CD2 4.32Å; L73-L76 WeakPolarHBondContact O-CB 3.26Å; L73-L76 PolarHBondContact O-N 3.22Å; S74-L76 VanDerWaalsContact C-N 3.28Å; S74-L76 PolarHBondContact O-N 2.73Å; L76-H252 HydrophobicContact CD1-CB 4.23Å; L76-F598 HydrophobicContact CD1-CD2 4.18Å; L76-F598 HydrophobicContact CD1-CE1 4.47Å; L76-F598 HydrophobicContact CD1-CE2 3.72Å; L76-F598 HydrophobicContact CD1-CZ 3.9Å |
| 77 | N | 66.1 | Low | 67.3 | Low | 68 Ų | 68 | 60 Ų | 60 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -86.9 | -33.5 | -180 | -67.7 | -9.5 | 0 | 0 | 0 | 112.7 | Y66 S68 S74 | Y66-N77 PolarHBondContact O-OD1 3.24Å; S68-N77 PolarHBondContact O-ND2 3.44Å; S74-N77 PolarHBondContact O-N 2.65Å |
| 78 | N | 65.9 | Low | 68.6 | Low | 131 Ų | 131 | 51.5 Ų | 51.5 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -92 | -32.2 | -169.4 | -69.4 | -17.2 | 0 | 0 | 0 | 114 | S74 | S74-N78 WeakPolarHBondContact O-CB 3.45Å; S74-N78 PolarHBondContact O-N 3.49Å; S74-N78 VanDerWaalsContact O-N 3.13Å; S74-N78 PolarHBondContact O-ND2 3.1Å |
| 79 | D | 68.8 | Low | 69.9 | Low | 78 Ų | 78 | 52 Ų | 52 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -106.1 | 145.3 | -174 | -71.9 | -34.4 | 0 | 0 | 0 | 112.2 | W75 F598 | W75-D79 PolarHBondContact O-N 3.25Å; D79-F598 HydrophobicContact CB-CE1 4.08Å; D79-F598 WeakPolarHBondContact O-CE1 3.41Å; D79-F598 WeakPolarHBondContact O-CZ 3.48Å |
| 80 | M | 72.3 | Confident | 71.2 | Confident | 121 Ų | 121 | 44 Ų | 44 | 60% | 0.596 | 24% | 0.242 | S | C | * | . | trans | -80.2 | 141.8 | 169.3 | -72 | -64.8 | -66 | 0 | 0 | 110.3 | ||||
| 81 | P | 75.3 | Confident | 72.3 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | trans | -62.7 | 141.9 | 177.9 | 22.7 | -31 | 0 | 0 | 0 | 111.6 | A83 Y84 F598 | P81-A83 VanDerWaalsContact C-N 3.32Å; P81-A83 PolarHBondContact O-N 3.4Å; P81-Y84 HydrophobicContact CB-CE2 4.4Å; P81-Y84 HydrophobicContact CG-CD2 4.28Å; P81-Y84 HydrophobicContact CG-CE1 3.84Å; P81-Y84 HydrophobicContact CG-CE2 3.47Å; P81-Y84 VanDerWaalsContact CG-CE2 3.47Å; P81-Y84 WeakPolarHBondContact CG-OH 3.38Å; P81-F598 WeakPolarHBondContact CA-O 3.31Å; P81-F598 HydrophobicContact CB-CD2 3.93Å; P81-F598 HydrophobicContact CB-CE2 3.59Å; P81-F598 HydrophobicContact CB-CZ 4.12Å; P81-F598 HydrophobicContact CG-CE2 4.08Å; P81-F598 HydrophobicContact CG-CZ 4.4Å | ||
| 82 | V | 75.1 | Confident | 73.1 | Confident | 12 Ų | 12 | 36.1 Ų | 36.1 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -64.5 | -41.9 | 177.9 | -178 | 0 | 0 | 0 | 0 | 110.9 | R597 F598 V599 | V82-R597 HydrophobicContact CG2-CB 3.3Å; V82-R597 VanDerWaalsContact CG2-CD 3.41Å; V82-R597 HydrophobicContact CG2-CG 4Å; V82-F598 PolarHBondContact N-O 3.44Å; V82-V599 HydrophobicContact CB-CG2 4.49Å |
| 83 | A | 77.7 | Confident | 73.4 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 151.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | P81 I214 I215 L587 V599 T600 | P81-A83 VanDerWaalsContact C-N 3.32Å; P81-A83 PolarHBondContact O-N 3.4Å; A83-I214 CarbonylContact C-O 3.56Å; A83-I214 VanDerWaalsContact CA-O 3.28Å; A83-I214 WeakPolarHBondContact CA-O 3.39Å; A83-I215 HydrophobicContact CB-CG1 4.11Å; A83-L587 HydrophobicContact CB-CD1 3.94Å; A83-L587 HydrophobicContact CB-CD2 3.53Å; A83-L587 HydrophobicContact CB-CG 4.41Å; A83-V599 WeakPolarHBondContact O-CG1 3.45Å; A83-T600 PolarHBondContact O-N 2.96Å |
| 84 | Y | 80.8 | Confident | 73.1 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.8 | 165.9 | -65.9 | -92.3 | 0 | 0 | 0 | 109.3 | V64 P81 M213 I214 A217 V222 T600 L602 | V64-Y84 HydrophobicContact CG1-CE1 4.1Å; P81-Y84 HydrophobicContact CB-CE2 4.4Å; P81-Y84 HydrophobicContact CG-CD2 4.28Å; P81-Y84 HydrophobicContact CG-CE1 3.84Å; P81-Y84 HydrophobicContact CG-CE2 3.47Å; P81-Y84 VanDerWaalsContact CG-CE2 3.47Å; P81-Y84 WeakPolarHBondContact CG-OH 3.38Å; Y84-M213 CarbonylContact O-C 3.6Å; Y84-M213 WeakPolarHBondContact O-CA 3.31Å; Y84-I214 PolarHBondContact N-O 3.48Å; Y84-I214 PolarHBondContact O-N 3.27Å; Y84-A217 WeakPolarHBondContact CE2-O 3.23Å; Y84-V222 HydrophobicContact CD1-CB 4.41Å; Y84-V222 HydrophobicContact CD1-CG1 4.01Å; Y84-V222 HydrophobicContact CD1-CG2 4.2Å; Y84-V222 HydrophobicContact CD2-CB 4.48Å; Y84-V222 HydrophobicContact CD2-CG2 3.46Å; Y84-V222 VanDerWaalsContact CD2-CG2 3.46Å; Y84-V222 HydrophobicContact CE2-CG2 3.8Å; Y84-V222 HydrophobicContact CG-CB 4.26Å; Y84-V222 HydrophobicContact CG-CG1 3.92Å; Y84-V222 HydrophobicContact CG-CG2 3.64Å; Y84-T600 CarbonylContact C-O 3.54Å; Y84-T600 VanDerWaalsContact CA-O 3.27Å; Y84-T600 WeakPolarHBondContact CA-O 3.31Å; Y84-T600 HydrophobicContact CD1-CG2 4.02Å; Y84-T600 HydrophobicContact CE1-CG2 4.11Å; Y84-L602 HydrophobicContact CD1-CD1 4.37Å |
| 85 | I | 82 | Confident | 72.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.1 | 178.9 | -54 | -172.7 | 0 | 0 | 0 | 108.2 | T211 M213 W583 V599 T600 V601 L602 | I85-T211 HydrophobicContact CG2-CG2 3.62Å; I85-M213 HydrophobicContact CD1-CG 4.49Å; I85-M213 HydrophobicContact CD1-SD 4.06Å; I85-M213 HydrophobicContact CG1-CG 4Å; I85-M213 HydrophobicContact CG1-SD 4.18Å; I85-M213 HydrophobicContact CG2-CG 4.31Å; I85-W583 HydrophobicContact CD1-CB 3.82Å; I85-W583 HydrophobicContact CD1-CD2 3.44Å; I85-W583 VanDerWaalsContact CD1-CD2 3.44Å; I85-W583 HydrophobicContact CD1-CE3 3.56Å; I85-W583 HydrophobicContact CD1-CG 3.59Å; I85-W583 HydrophobicContact CD1-CZ3 4.3Å; I85-W583 HydrophobicContact CG2-CD2 4.31Å; I85-W583 HydrophobicContact CG2-CH2 4.18Å; I85-W583 HydrophobicContact CG2-CZ2 3.84Å; I85-V599 HydrophobicContact CD1-CG1 3.54Å; I85-V599 HydrophobicContact CG1-CG1 3.7Å; I85-T600 PolarHBondContact N-O 2.78Å; I85-V601 HydrophobicContact CB-CG2 4.29Å; I85-V601 HydrophobicContact CD1-CG2 4.45Å; I85-L602 PolarHBondContact O-N 3.48Å |
| 86 | V | 81.3 | Confident | 71.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.8 | 173.7 | -178 | 0 | 0 | 0 | 0 | 107.8 | V212 L229 L602 V605 | V86-V212 HydrophobicContact CB-CB 4.46Å; V86-V212 PolarHBondContact N-O 3.44Å; V86-V212 PolarHBondContact O-N 3.03Å; V86-L229 HydrophobicContact CG1-CD1 3.96Å; V86-L602 HydrophobicContact CG2-CB 4.08Å; V86-L602 HydrophobicContact CG2-CD1 3.6Å; V86-L602 HydrophobicContact CG2-CG 4.41Å; V86-V605 HydrophobicContact CG1-CG2 4.32Å |
| 87 | Q | 79.7 | Confident | 71.1 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 9% | 0.093 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 136.3 | 170.7 | -69.5 | -175.3 | -46.7 | 0 | 0 | 110.1 | M210 T211 W583 P604 V605 | Q87-M210 CarbonylContact C-O 3.53Å; Q87-M210 WeakPolarHBondContact CA-O 3.26Å; Q87-T211 HydrophobicContact CG-CG2 4.21Å; Q87-W583 HydrophobicContact CG-CZ2 4.23Å; Q87-P604 HydrophobicContact CB-CB 4.23Å; Q87-P604 CarbonylContact O-C 3.57Å; Q87-P604 VanDerWaalsContact O-CA 3.24Å; Q87-P604 WeakPolarHBondContact O-CA 2.88Å; Q87-V605 PolarHBondContact O-N 2.85Å |
| 88 | V | 79.4 | Confident | 70.4 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 110.9 | 170.5 | -175.2 | 0 | 0 | 0 | 0 | 106.8 | L119 A209 M210 L229 V605 L607 | V88-L119 HydrophobicContact CG1-CD2 3.94Å; V88-A209 WeakPolarHBondContact O-CA 3.29Å; V88-M210 HydrophobicContact CB-CB 4.31Å; V88-M210 PolarHBondContact N-O 2.88Å; V88-M210 PolarHBondContact O-N 3.31Å; V88-L229 HydrophobicContact CG2-CD1 4.49Å; V88-L229 HydrophobicContact CG2-CD2 3.98Å; V88-V605 CarbonylContact C-O 3.58Å; V88-V605 WeakPolarHBondContact CA-O 3.35Å; V88-V605 HydrophobicContact CG2-CB 4.41Å; V88-L607 HydrophobicContact CG1-CD1 3.65Å; V88-L607 HydrophobicContact CG1-CG 4.22Å |
| 89 | I | 79.5 | Confident | 69.8 | Low | 20 Ų | 20 | 43.5 Ų | 43.5 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 117.3 | -177.1 | -60 | 174.5 | 0 | 0 | 0 | 107.6 | A209 P604 V605 H606 L607 | I89-A209 HydrophobicContact CG1-CB 4.36Å; I89-P604 HydrophobicContact CD1-CB 3.83Å; I89-P604 HydrophobicContact CD1-CG 4.42Å; I89-P604 HydrophobicContact CG1-CB 4.3Å; I89-V605 PolarHBondContact N-O 3.4Å; I89-H606 WeakPolarHBondContact O-CA 3.45Å; I89-L607 PolarHBondContact O-N 2.9Å |
| 90 | V | 80 | Confident | 69.1 | Low | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.4 | 176.6 | -168.1 | 0 | 0 | 0 | 0 | 108.6 | F112 L119 H207 Y208 F238 L607 V609 | V90-F112 HydrophobicContact CB-CE2 4.42Å; V90-F112 HydrophobicContact CB-CZ 4.29Å; V90-F112 HydrophobicContact CG1-CE2 3.85Å; V90-F112 HydrophobicContact CG1-CZ 4.22Å; V90-F112 WeakPolarHBondContact O-CZ 3.33Å; V90-L119 HydrophobicContact CG2-CD2 3.35Å; V90-H207 WeakPolarHBondContact O-CA 3.38Å; V90-Y208 HydrophobicContact CB-CD1 4.47Å; V90-Y208 HydrophobicContact CG2-CD1 3.99Å; V90-Y208 PolarHBondContact N-O 3.15Å; V90-Y208 PolarHBondContact O-N 3.08Å; V90-F238 HydrophobicContact CG1-CE1 4.34Å; V90-L607 CarbonylContact C-O 3.53Å; V90-L607 VanDerWaalsContact CA-O 3.25Å; V90-L607 WeakPolarHBondContact CA-O 3.29Å; V90-V609 HydrophobicContact CG1-CB 4.26Å; V90-V609 HydrophobicContact CG1-CG2 3.38Å |
| 91 | H | 78.7 | Confident | 68.3 | Low | 23 Ų | 23 | 42.9 Ų | 42.9 | 11% | 0.106 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 138.8 | 176.2 | -63.1 | -57.4 | 0 | 0 | 0 | 109.7 | H207 W241 H606 L607 A608 V609 | H91-H207 AromaticContact CE1-CE1 3.56Å; H91-H207 AromaticContact CE1-ND1 3.32Å; H91-H207 PolarHBondContact CE1-ND1 3.11Å; H91-H207 VanDerWaalsContact CE1-ND1 3.32Å; H91-H207 AromaticContact ND1-CE1 3.12Å; H91-H207 PolarHBondContact ND1-CE1 2.86Å; H91-H207 AromaticContact ND1-ND1 2.77Å; H91-H207 PolarHBondContact ND1-ND1 3.25Å; H91-W241 AromaticContact CD2-CD1 3.74Å; H91-W241 AromaticContact CD2-CG 3.9Å; H91-H606 AromaticContact CD2-ND1 3.76Å; H91-H606 AromaticContact CE1-ND1 3.89Å; H91-H606 AromaticContact NE2-CE1 3.76Å; H91-H606 AromaticContact NE2-CG 3.85Å; H91-H606 AromaticContact NE2-ND1 2.97Å; H91-H606 PolarHBondContact NE2-ND1 2.84Å; H91-L607 PolarHBondContact N-O 3.22Å; H91-A608 CarbonylContact O-C 3.58Å; H91-A608 WeakPolarHBondContact O-CA 3.1Å; H91-V609 PolarHBondContact O-N 2.68Å |
| 92 | T | 74.2 | Confident | 67.7 | Low | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 127.6 | 167.1 | -168.1 | 0 | 0 | 0 | 0 | 110.1 | T94 W206 | T92-T94 HydrophobicContact CG2-CG2 4.5Å; T92-W206 HydrophobicContact CG2-CB 3.79Å; T92-W206 HydrophobicContact CG2-CD2 4.24Å; T92-W206 HydrophobicContact CG2-CE3 4.11Å; T92-W206 HydrophobicContact CG2-CG 4.14Å; T92-W206 PolarHBondContact N-O 3.23Å |
| 93 | T | 62.6 | Low | 67.4 | Low | 33 Ų | 33 | 48.4 Ų | 48.4 | 20% | 0.202 | 28% | 0.279 | C | S | . | . | trans | -97.5 | 87 | 165.1 | 55.2 | 0 | 0 | 0 | 0 | 107.8 | P95 W241 A608 V609 Q610 | T93-P95 VanDerWaalsContact C-CD 3.49Å; T93-P95 WeakPolarHBondContact O-CD 3.42Å; T93-W241 HydrophobicContact CG2-CE3 3.89Å; T93-W241 HydrophobicContact CG2-CH2 4.03Å; T93-W241 HydrophobicContact CG2-CZ3 3.22Å; T93-A608 HydrophobicContact CG2-CB 3.96Å; T93-V609 PolarHBondContact N-O 3.34Å; T93-V609 PolarHBondContact OG1-O 3.32Å; T93-Q610 WeakPolarHBondContact OG1-CG 3.15Å | ||
| 94 | T | 58.7 | Low | 67.3 | Low | 31 Ų | 31 | 51.1 Ų | 51.1 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | trans | -95 | 94 | 167.6 | 51.1 | 0 | 0 | 0 | 0 | 108.9 | T92 K96 T204 | T92-T94 HydrophobicContact CG2-CG2 4.5Å; T94-K96 PolarHBondContact O-N 2.67Å; T94-T204 PolarHBondContact OG1-O 3.02Å | ||
| 95 | P | 51.6 | Low | 66.8 | Low | 70 Ų | 70 | 54.7 Ų | 54.7 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | trans | -65.5 | 117.4 | 161.1 | 27.1 | -29.5 | 0 | 0 | 0 | 106.8 | T93 D97 | T93-P95 VanDerWaalsContact C-CD 3.49Å; T93-P95 WeakPolarHBondContact O-CD 3.42Å; P95-D97 PolarHBondContact O-N 2.95Å | ||
| 96 | K | 50.9 | Low | 66.4 | Low | 159 Ų | 159 | 56.2 Ų | 56.2 | 69% | 0.691 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -19.3 | 178.5 | -91.8 | 171.2 | 161.1 | 154.7 | 0 | 113.3 | T94 | T94-K96 PolarHBondContact O-N 2.67Š|
| 97 | D | 52.3 | Low | 66.3 | Low | 150 Ų | 150 | 58.7 Ų | 58.7 | 80% | 0.802 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -12.5 | -165.7 | -58.1 | -26.8 | 0 | 0 | 0 | 115.6 | P95 | P95-D97 PolarHBondContact O-N 2.95Š|
| 98 | N | 51.9 | Low | 66.1 | Low | 130 Ų | 130 | 58.9 Ų | 58.9 | 70% | 0.695 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -103.1 | -9.8 | -174.3 | -79.8 | -0.7 | 0 | 0 | 0 | 115.8 | ||
| 99 | F | 52.8 | Low | 66 | Low | 41 Ų | 41 | 60.4 Ų | 60.4 | 18% | 0.18 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -91.6 | 117.2 | 175.3 | -80.3 | -84.2 | 0 | 0 | 0 | 109.3 | A101 F103 L108 L611 E613 V616 | F99-A101 PolarHBondContact O-N 2.79Å; F99-F103 AromaticContact CD1-CD2 3.79Å; F99-F103 HydrophobicContact CD1-CD2 3.79Å; F99-F103 HydrophobicContact CD1-CE2 4.14Å; F99-F103 HydrophobicContact CE1-CD2 4.34Å; F99-L108 HydrophobicContact CD1-CD2 4.44Å; F99-L108 HydrophobicContact CE1-CD2 4.04Å; F99-L108 HydrophobicContact CE2-CD2 4.39Å; F99-L108 HydrophobicContact CZ-CD2 4.01Å; F99-L611 HydrophobicContact CZ-CB 4.1Å; F99-L611 VanDerWaalsContact CZ-O 3.23Å; F99-L611 WeakPolarHBondContact CZ-O 3.44Å; F99-E613 HydrophobicContact CD1-CG 3.55Å; F99-E613 HydrophobicContact CE1-CB 4.37Å; F99-E613 HydrophobicContact CE1-CG 3.59Å; F99-V616 HydrophobicContact CE1-CG2 4.16Å; F99-V616 HydrophobicContact CZ-CG2 4.41Å |
| 100 | S | 54.8 | Low | 66.1 | Low | 68 Ų | 68 | 61 Ų | 61 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | trans | -50.8 | 135.8 | 166 | 59.7 | 0 | 0 | 0 | 0 | 108.7 | S102 E613 | S100-S102 PolarHBondContact O-N 2.78Å; S100-S102 PolarHBondContact O-OG 2.77Å; S100-E613 PolarHBondContact N-OE1 3.45Å; S100-E613 VanDerWaalsContact N-OE1 3.12Å; S100-E613 PolarHBondContact OG-OE1 3.02Å | ||
| 101 | A | 55.7 | Low | 66.1 | Low | 118 Ų | 118 | 61.2 Ų | 61.2 | 98% | 0.975 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 39.6 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | F99 | F99-A101 PolarHBondContact O-N 2.79Š|
| 102 | S | 61.6 | Low | 66.3 | Low | 85 Ų | 85 | 60.2 Ų | 60.2 | 59% | 0.594 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | -7.4 | -166.4 | 68 | 0 | 0 | 0 | 0 | 115.7 | S100 | S100-S102 PolarHBondContact O-N 2.78Å; S100-S102 PolarHBondContact O-OG 2.77Å |
| 103 | F | 69.5 | Low | 66.7 | Low | 55 Ų | 55 | 60.3 Ų | 60.3 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | trans | -105.7 | 126.6 | -178.4 | -60 | -62.5 | 0 | 0 | 0 | 113.7 | F99 L108 E613 V616 I620 | F99-F103 AromaticContact CD1-CD2 3.79Å; F99-F103 HydrophobicContact CD1-CD2 3.79Å; F99-F103 HydrophobicContact CD1-CE2 4.14Å; F99-F103 HydrophobicContact CE1-CD2 4.34Å; F103-L108 HydrophobicContact CB-CG 4.36Å; F103-E613 HydrophobicContact CE2-CG 4.3Å; F103-V616 HydrophobicContact CD1-CG1 3.93Å; F103-V616 HydrophobicContact CD2-CG1 4.41Å; F103-V616 HydrophobicContact CE1-CG1 4.17Å; F103-V616 HydrophobicContact CG-CG1 4.06Å; F103-I620 HydrophobicContact CD1-CD1 3.49Å; F103-I620 VanDerWaalsContact CD1-CD1 3.49Å; F103-I620 HydrophobicContact CE1-CD1 3.52Å | ||
| 104 | S | 74.7 | Confident | 67.5 | Low | 57 Ų | 57 | 59.8 Ų | 59.8 | 40% | 0.399 | 35% | 0.349 | S | S | . | . | trans | -63.4 | 143.7 | 172.1 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | S106 H107 L108 | S104-S106 PolarHBondContact O-N 2.76Å; S104-S106 VanDerWaalsContact O-N 3.11Å; S104-S106 PolarHBondContact OG-N 3.47Å; S104-S106 PolarHBondContact OG-OG 2.9Å; S104-H107 WeakPolarHBondContact O-CB 3.41Å; S104-H107 PolarHBondContact O-N 3.19Å; S104-L108 PolarHBondContact O-N 2.79Å | ||
| 105 | S | 71 | Confident | 68.5 | Low | 83 Ų | 83 | 58.9 Ų | 58.9 | 58% | 0.58 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -51.1 | -34.1 | 173.1 | 56.5 | 0 | 0 | 0 | 0 | 113 | H107 L108 M109 | S105-H107 PolarHBondContact O-N 3.13Å; S105-L108 PolarHBondContact O-N 2.85Å; S105-M109 WeakPolarHBondContact O-CB 3.39Å; S105-M109 PolarHBondContact O-N 3.3Å |
| 106 | S | 74.3 | Confident | 69.8 | Low | 31 Ų | 31 | 55.6 Ų | 55.6 | 22% | 0.217 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 176.4 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | S104 R110 | S104-S106 PolarHBondContact O-N 2.76Å; S104-S106 VanDerWaalsContact O-N 3.11Å; S104-S106 PolarHBondContact OG-N 3.47Å; S104-S106 PolarHBondContact OG-OG 2.9Å; S106-R110 WeakPolarHBondContact O-CG 3.35Å; S106-R110 PolarHBondContact O-N 2.86Å |
| 107 | H | 78.5 | Confident | 71.1 | Confident | 53 Ų | 53 | 48.1 Ų | 48.1 | 25% | 0.245 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.7 | -46.5 | 178.3 | -71.3 | -55.1 | 0 | 0 | 0 | 110.9 | S104 S105 M109 R110 S111 M619 I620 | S104-H107 WeakPolarHBondContact O-CB 3.41Å; S104-H107 PolarHBondContact O-N 3.19Å; S105-H107 PolarHBondContact O-N 3.13Å; H107-M109 VanDerWaalsContact C-N 3.28Å; H107-M109 PolarHBondContact O-N 2.72Å; H107-R110 PolarHBondContact O-N 3.28Å; H107-S111 PolarHBondContact O-N 2.85Å; H107-M619 HydrophobicContact CB-CE 4.21Å; H107-M619 WeakPolarHBondContact O-CE 3.22Å; H107-I620 HydrophobicContact CB-CD1 4.35Å; H107-I620 HydrophobicContact CB-CG1 4.38Å |
| 108 | L | 75 | Confident | 72.3 | Confident | 23 Ų | 23 | 44 Ų | 44 | 12% | 0.12 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -43.2 | 175.8 | -70.8 | 171 | 0 | 0 | 0 | 110.9 | F99 F103 S104 S105 S111 F112 W206 L611 V616 | F99-L108 HydrophobicContact CD1-CD2 4.44Å; F99-L108 HydrophobicContact CE1-CD2 4.04Å; F99-L108 HydrophobicContact CE2-CD2 4.39Å; F99-L108 HydrophobicContact CZ-CD2 4.01Å; F103-L108 HydrophobicContact CB-CG 4.36Å; S104-L108 PolarHBondContact O-N 2.79Å; S105-L108 PolarHBondContact O-N 2.85Å; L108-S111 WeakPolarHBondContact O-CB 3.37Å; L108-S111 PolarHBondContact O-N 3.23Å; L108-F112 PolarHBondContact O-N 2.89Å; L108-W206 HydrophobicContact CB-CH2 3.35Å; L108-W206 HydrophobicContact CB-CZ3 3.65Å; L108-W206 WeakPolarHBondContact O-CZ3 3.41Å; L108-L611 HydrophobicContact CD2-CD1 4.5Å; L108-V616 HydrophobicContact CD2-CG1 4.37Å; L108-V616 HydrophobicContact CD2-CG2 4.01Å |
| 109 | M | 77.5 | Confident | 73.6 | Confident | 33 Ų | 33 | 37.8 Ų | 37.8 | 16% | 0.163 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 177.3 | -164.8 | -167.2 | 177.6 | 0 | 0 | 111.8 | S105 H107 S111 F112 F113 F175 P176 L179 W206 | S105-M109 WeakPolarHBondContact O-CB 3.39Å; S105-M109 PolarHBondContact O-N 3.3Å; H107-M109 VanDerWaalsContact C-N 3.28Å; H107-M109 PolarHBondContact O-N 2.72Å; M109-S111 VanDerWaalsContact C-N 3.33Å; M109-S111 PolarHBondContact O-N 2.9Å; M109-F112 WeakPolarHBondContact O-CB 3.37Å; M109-F112 PolarHBondContact O-N 2.76Å; M109-F113 HydrophobicContact CE-CD2 4.48Å; M109-F113 HydrophobicContact CE-CE2 3.64Å; M109-F113 HydrophobicContact CE-CZ 4.32Å; M109-F113 HydrophobicContact CG-CD2 4.17Å; M109-F113 HydrophobicContact CG-CE2 4.1Å; M109-F113 WeakPolarHBondContact O-CD2 3.46Å; M109-F113 PolarHBondContact O-N 2.71Å; M109-F175 HydrophobicContact CB-CE1 3.93Å; M109-F175 HydrophobicContact CB-CZ 4.06Å; M109-F175 HydrophobicContact CE-CZ 4.12Å; M109-F175 HydrophobicContact CG-CE1 3.98Å; M109-F175 HydrophobicContact CG-CZ 3.66Å; M109-F175 HydrophobicContact SD-CE1 3.82Å; M109-F175 HydrophobicContact SD-CZ 3.63Å; M109-P176 HydrophobicContact CE-CB 4.25Å; M109-P176 HydrophobicContact SD-CB 3.63Å; M109-P176 HydrophobicContact SD-CG 4.5Å; M109-L179 HydrophobicContact CE-CD1 4.16Å; M109-L179 HydrophobicContact CE-CD2 4.45Å; M109-W206 VanDerWaalsContact CA-CZ3 3.41Å; M109-W206 HydrophobicContact CB-CD2 4.27Å; M109-W206 HydrophobicContact CB-CE3 4.1Å; M109-W206 HydrophobicContact CB-CH2 3.96Å; M109-W206 HydrophobicContact CB-CZ2 4.06Å; M109-W206 HydrophobicContact CB-CZ3 3.98Å; M109-W206 HydrophobicContact CG-CD2 4.11Å; M109-W206 HydrophobicContact CG-CE3 4.25Å; M109-W206 VanDerWaalsContact N-CH2 3.33Å |
| 110 | R | 81.7 | Confident | 74.7 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 173.5 | -75.6 | -172.9 | -172.9 | 152.7 | 9.4 | 112.4 | S106 H107 F112 F113 E114 D172 F175 M619 | S106-R110 WeakPolarHBondContact O-CG 3.35Å; S106-R110 PolarHBondContact O-N 2.86Å; H107-R110 PolarHBondContact O-N 3.28Å; R110-F112 VanDerWaalsContact C-N 3.31Å; R110-F112 PolarHBondContact O-N 3.16Å; R110-F113 PolarHBondContact O-N 3.08Å; R110-E114 PolarHBondContact O-N 3.21Å; R110-D172 PolarHBondContact NH2-O 3.1Å; R110-D172 VanDerWaalsContact NH2-O 3.11Å; R110-F175 HydrophobicContact CB-CE1 4.27Å; R110-F175 HydrophobicContact CG-CD1 3.31Å; R110-F175 HydrophobicContact CG-CE1 3.3Å; R110-F175 HydrophobicContact CG-CG 3.98Å; R110-F175 HydrophobicContact CG-CZ 3.95Å; R110-F175 PolarHBondContact NH2-O 2.9Å; R110-M619 HydrophobicContact CB-SD 3.95Å |
| 111 | S | 80.7 | Confident | 75.6 | Confident | 7 Ų | 7 | 36 Ų | 36 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 175.8 | -150.5 | 0 | 0 | 0 | 0 | 111.7 | H107 L108 M109 E114 A115 | H107-S111 PolarHBondContact O-N 2.85Å; L108-S111 WeakPolarHBondContact O-CB 3.37Å; L108-S111 PolarHBondContact O-N 3.23Å; M109-S111 VanDerWaalsContact C-N 3.33Å; M109-S111 PolarHBondContact O-N 2.9Å; S111-E114 PolarHBondContact O-N 2.82Å; S111-A115 PolarHBondContact O-N 2.8Å |
| 112 | F | 82.6 | Confident | 76.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -46.6 | 177.3 | 173.7 | -105 | 0 | 0 | 0 | 111.7 | V90 L108 M109 R110 A115 A116 W206 L611 | V90-F112 HydrophobicContact CB-CE2 4.42Å; V90-F112 HydrophobicContact CB-CZ 4.29Å; V90-F112 HydrophobicContact CG1-CE2 3.85Å; V90-F112 HydrophobicContact CG1-CZ 4.22Å; V90-F112 WeakPolarHBondContact O-CZ 3.33Å; L108-F112 PolarHBondContact O-N 2.89Å; M109-F112 WeakPolarHBondContact O-CB 3.37Å; M109-F112 PolarHBondContact O-N 2.76Å; R110-F112 VanDerWaalsContact C-N 3.31Å; R110-F112 PolarHBondContact O-N 3.16Å; F112-A115 PolarHBondContact O-N 3.37Å; F112-A116 PolarHBondContact O-N 3.05Å; F112-W206 HydrophobicContact CB-CE3 4.03Å; F112-W206 HydrophobicContact CB-CZ3 4.46Å; F112-W206 HydrophobicContact CD1-CB 4.1Å; F112-W206 HydrophobicContact CD1-CE3 4.49Å; F112-W206 HydrophobicContact CE1-CB 3.96Å; F112-W206 HydrophobicContact CG-CE3 4.27Å; F112-W206 HydrophobicContact CZ-CB 4.43Å; F112-W206 WeakPolarHBondContact CZ-O 3.17Å; F112-L611 HydrophobicContact CB-CD1 4.41Å |
| 113 | F | 81.5 | Confident | 77.1 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -38.5 | 175.5 | -84.6 | -95.7 | 0 | 0 | 0 | 112.2 | M109 R110 A115 A116 F117 P158 W162 L169 F175 L179 Y208 | M109-F113 HydrophobicContact CE-CD2 4.48Å; M109-F113 HydrophobicContact CE-CE2 3.64Å; M109-F113 HydrophobicContact CE-CZ 4.32Å; M109-F113 HydrophobicContact CG-CD2 4.17Å; M109-F113 HydrophobicContact CG-CE2 4.1Å; M109-F113 WeakPolarHBondContact O-CD2 3.46Å; M109-F113 PolarHBondContact O-N 2.71Å; R110-F113 PolarHBondContact O-N 3.08Å; F113-A115 VanDerWaalsContact C-N 3.35Å; F113-A115 PolarHBondContact O-N 2.79Å; F113-A116 WeakPolarHBondContact O-CB 3.25Å; F113-A116 PolarHBondContact O-N 3.45Å; F113-A116 VanDerWaalsContact O-N 3.11Å; F113-F117 VanDerWaalsContact O-CD2 3.29Å; F113-F117 WeakPolarHBondContact O-CD2 3.28Å; F113-F117 PolarHBondContact O-N 3.38Å; F113-P158 HydrophobicContact CE1-CB 4.12Å; F113-W162 HydrophobicContact CD1-CH2 4.05Å; F113-W162 AromaticContact CD1-CZ3 3.96Å; F113-W162 HydrophobicContact CD1-CZ3 3.96Å; F113-W162 HydrophobicContact CE1-CH2 4.13Å; F113-W162 HydrophobicContact CE1-CZ3 4.2Å; F113-L169 HydrophobicContact CB-CD1 4.47Å; F113-L169 HydrophobicContact CB-CD2 3.88Å; F113-F175 HydrophobicContact CD2-CE2 4.21Å; F113-F175 HydrophobicContact CD2-CZ 4.03Å; F113-F175 HydrophobicContact CE2-CZ 4.47Å; F113-F175 HydrophobicContact CG-CE2 4.43Å; F113-L179 HydrophobicContact CE1-CD2 4.04Å; F113-L179 HydrophobicContact CE2-CD2 4.41Å; F113-L179 HydrophobicContact CZ-CD2 3.57Å; F113-Y208 HydrophobicContact CD1-CD2 4.03Å; F113-Y208 HydrophobicContact CD1-CE2 4.28Å; F113-Y208 AromaticContact CE1-CD2 3.82Å; F113-Y208 HydrophobicContact CE1-CD2 3.82Å; F113-Y208 HydrophobicContact CE1-CE2 4.32Å |
| 114 | E | 80.9 | Confident | 77 | Confident | 22 Ų | 22 | 29.1 Ų | 29.1 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 174.8 | -174.7 | 178 | -179 | 0 | 0 | 111.8 | R110 S111 A116 F117 E118 M619 R622 | R110-E114 PolarHBondContact O-N 3.21Å; S111-E114 PolarHBondContact O-N 2.82Å; E114-A116 VanDerWaalsContact C-N 3.31Å; E114-A116 PolarHBondContact O-N 2.98Å; E114-F117 WeakPolarHBondContact O-CB 3.44Å; E114-F117 PolarHBondContact O-N 2.82Å; E114-E118 PolarHBondContact O-N 2.8Å; E114-M619 VanDerWaalsContact OE2-CB 3.31Å; E114-M619 WeakPolarHBondContact OE2-CB 3.36Å; E114-M619 WeakPolarHBondContact OE2-CG 3.31Å; E114-R622 IonicContact OE1-NH1 3.24Å; E114-R622 PolarHBondContact OE1-NH1 3.17Å |
| 115 | A | 79.5 | Confident | 76.7 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S111 F112 F113 F117 E118 L119 F238 V609 | S111-A115 PolarHBondContact O-N 2.8Å; F112-A115 PolarHBondContact O-N 3.37Å; F113-A115 VanDerWaalsContact C-N 3.35Å; F113-A115 PolarHBondContact O-N 2.79Å; A115-F117 VanDerWaalsContact C-N 3.3Å; A115-F117 PolarHBondContact O-N 3.47Å; A115-E118 WeakPolarHBondContact O-CA 3.43Å; A115-E118 VanDerWaalsContact O-CB 3.3Å; A115-E118 WeakPolarHBondContact O-CB 3.41Å; A115-E118 PolarHBondContact O-N 3.45Å; A115-L119 PolarHBondContact O-N 3.09Å; A115-F238 WeakPolarHBondContact O-CZ 3.38Å; A115-V609 HydrophobicContact CB-CG1 4.1Å |
| 116 | A | 77.4 | Confident | 76.4 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -31.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F112 F113 E114 E118 L119 R120 Y208 | F112-A116 PolarHBondContact O-N 3.05Å; F113-A116 WeakPolarHBondContact O-CB 3.25Å; F113-A116 PolarHBondContact O-N 3.45Å; F113-A116 VanDerWaalsContact O-N 3.11Å; E114-A116 VanDerWaalsContact C-N 3.31Å; E114-A116 PolarHBondContact O-N 2.98Å; A116-E118 VanDerWaalsContact C-N 3.34Å; A116-L119 WeakPolarHBondContact O-CB 3.3Å; A116-L119 PolarHBondContact O-N 2.79Å; A116-R120 PolarHBondContact O-N 3.45Å; A116-R120 VanDerWaalsContact O-N 3.1Å; A116-Y208 HydrophobicContact CB-CD1 3.72Å; A116-Y208 HydrophobicContact CB-CD2 3.65Å; A116-Y208 HydrophobicContact CB-CE1 3.74Å; A116-Y208 HydrophobicContact CB-CE2 3.63Å; A116-Y208 HydrophobicContact CB-CG 3.67Å |
| 117 | F | 78.6 | Confident | 75.3 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.8 | -33.4 | 169.8 | -89 | -95.8 | 0 | 0 | 0 | 112.7 | F113 E114 A115 R120 N121 S159 W162 R166 L169 | F113-F117 VanDerWaalsContact O-CD2 3.29Å; F113-F117 WeakPolarHBondContact O-CD2 3.28Å; F113-F117 PolarHBondContact O-N 3.38Å; E114-F117 WeakPolarHBondContact O-CB 3.44Å; E114-F117 PolarHBondContact O-N 2.82Å; A115-F117 VanDerWaalsContact C-N 3.3Å; A115-F117 PolarHBondContact O-N 3.47Å; F117-R120 PolarHBondContact O-N 2.81Å; F117-N121 PolarHBondContact O-N 3.19Å; F117-S159 VanDerWaalsContact CE1-CB 3.42Å; F117-S159 VanDerWaalsContact CZ-CB 3.48Å; F117-W162 HydrophobicContact CE2-CE3 4.06Å; F117-W162 HydrophobicContact CZ-CB 4.19Å; F117-W162 HydrophobicContact CZ-CE3 4.05Å; F117-R166 HydrophobicContact CB-CG 3.82Å; F117-R166 HydrophobicContact CD1-CG 4.13Å; F117-R166 HydrophobicContact CG-CG 4.12Å; F117-L169 HydrophobicContact CD2-CD2 3.89Å; F117-L169 HydrophobicContact CE2-CB 4.3Å; F117-L169 HydrophobicContact CE2-CD2 3.76Å; F117-L169 HydrophobicContact CE2-CG 4.45Å |
| 118 | E | 78.4 | Confident | 74 | Confident | 64 Ų | 64 | 34.1 Ų | 34.1 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.5 | -42.6 | 173.3 | -168.8 | -177.4 | 160.8 | 0 | 0 | 111.3 | E114 A115 A116 R120 N121 R122 | E114-E118 PolarHBondContact O-N 2.8Å; A115-E118 WeakPolarHBondContact O-CA 3.43Å; A115-E118 VanDerWaalsContact O-CB 3.3Å; A115-E118 WeakPolarHBondContact O-CB 3.41Å; A115-E118 PolarHBondContact O-N 3.45Å; A116-E118 VanDerWaalsContact C-N 3.34Å; E118-R120 PolarHBondContact O-N 2.83Å; E118-N121 PolarHBondContact O-N 2.72Å; E118-N121 VanDerWaalsContact O-N 3.11Å; E118-R122 WeakPolarHBondContact O-CG 3.34Å; E118-R122 PolarHBondContact O-N 3.07Å; E118-R122 IonicContact OE1-CZ 3.31Å; E118-R122 VanDerWaalsContact OE1-CZ 3.31Å; E118-R122 IonicContact OE1-NE 3.19Å; E118-R122 PolarHBondContact OE1-NE 3.43Å; E118-R122 IonicContact OE1-NH2 2.7Å; E118-R122 PolarHBondContact OE1-NH2 2.96Å |
| 119 | L | 79.1 | Confident | 72.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.2 | -44.7 | 173 | -171.8 | 70.4 | 0 | 0 | 0 | 111.1 | V88 V90 A115 A116 N121 R122 T123 L232 F238 L607 | V88-L119 HydrophobicContact CG1-CD2 3.94Å; V90-L119 HydrophobicContact CG2-CD2 3.35Å; A115-L119 PolarHBondContact O-N 3.09Å; A116-L119 WeakPolarHBondContact O-CB 3.3Å; A116-L119 PolarHBondContact O-N 2.79Å; L119-N121 PolarHBondContact O-N 3.48Å; L119-R122 PolarHBondContact O-N 2.64Å; L119-T123 WeakPolarHBondContact O-CG2 3.41Å; L119-T123 PolarHBondContact O-N 3.29Å; L119-T123 PolarHBondContact O-OG1 2.86Å; L119-L232 HydrophobicContact CD1-CD2 3.43Å; L119-L232 VanDerWaalsContact CD1-CD2 3.43Å; L119-L232 HydrophobicContact CD1-CG 4.23Å; L119-L232 HydrophobicContact CG-CD2 4.34Å; L119-F238 HydrophobicContact CB-CE1 3.98Å; L119-F238 HydrophobicContact CB-CE2 4.16Å; L119-F238 HydrophobicContact CB-CZ 3.56Å; L119-F238 HydrophobicContact CD1-CD1 4.1Å; L119-F238 HydrophobicContact CD1-CD2 4.09Å; L119-F238 HydrophobicContact CD1-CE1 3.93Å; L119-F238 HydrophobicContact CD1-CE2 3.93Å; L119-F238 HydrophobicContact CD1-CG 4.19Å; L119-F238 HydrophobicContact CD1-CZ 3.87Å; L119-F238 HydrophobicContact CD2-CE1 4.31Å; L119-F238 HydrophobicContact CG-CE1 4.31Å; L119-F238 HydrophobicContact CG-CZ 4.24Å; L119-L607 HydrophobicContact CD1-CD1 3.55Å; L119-L607 HydrophobicContact CD2-CD1 3.9Å; L119-L607 HydrophobicContact CG-CD1 4.38Å |
| 120 | R | 75.7 | Confident | 71.1 | Confident | 17 Ų | 17 | 34.6 Ų | 34.6 | 6% | 0.064 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.5 | -50.1 | 175 | 176.3 | 174.7 | 166.8 | -77.9 | 7.5 | 112.4 | A116 F117 E118 R122 T123 T124 E137 L155 S159 H164 M210 | A116-R120 PolarHBondContact O-N 3.45Å; A116-R120 VanDerWaalsContact O-N 3.1Å; F117-R120 PolarHBondContact O-N 2.81Å; E118-R120 PolarHBondContact O-N 2.83Å; R120-R122 PolarHBondContact O-N 3.28Å; R120-T123 WeakPolarHBondContact CA-OG1 3.49Å; R120-T123 PolarHBondContact O-N 3.14Å; R120-T123 VanDerWaalsContact O-N 3.17Å; R120-T123 PolarHBondContact O-OG1 3.41Å; R120-T124 WeakPolarHBondContact O-CG2 3.44Å; R120-T124 PolarHBondContact O-N 3.32Å; R120-T124 PolarHBondContact O-OG1 3.01Å; R120-E137 IonicContact CZ-OE1 3.94Å; R120-E137 VanDerWaalsContact CZ-OE1 3.29Å; R120-E137 IonicContact CZ-OE2 2.9Å; R120-E137 IonicContact NE-OE1 3.29Å; R120-E137 PolarHBondContact NE-OE1 2.9Å; R120-E137 IonicContact NH2-OE1 2.73Å; R120-E137 PolarHBondContact NH2-OE1 3.38Å; R120-E137 IonicContact NH2-OE2 3Å; R120-E137 PolarHBondContact NH2-OE2 3.12Å; R120-L155 HydrophobicContact CG-CD2 3.97Å; R120-S159 WeakPolarHBondContact CD-OG 3.19Å; R120-H164 PolarHBondContact NE-ND1 3.27Å; R120-M210 HydrophobicContact CB-CE 3.6Å; R120-M210 HydrophobicContact CG-CE 3.7Å |
| 121 | N | 74.8 | Confident | 69.1 | Low | 55 Ų | 55 | 43 Ų | 43 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.5 | -31.4 | 179.9 | -74.8 | 8.6 | 0 | 0 | 0 | 112.5 | F117 E118 L119 T124 N125 R166 | F117-N121 PolarHBondContact O-N 3.19Å; E118-N121 PolarHBondContact O-N 2.72Å; E118-N121 VanDerWaalsContact O-N 3.11Å; L119-N121 PolarHBondContact O-N 3.48Å; N121-T124 WeakPolarHBondContact CA-OG1 3.07Å; N121-T124 PolarHBondContact O-OG1 3.45Å; N121-N125 WeakPolarHBondContact O-CB 3.24Å; N121-N125 PolarHBondContact O-N 3.02Å; N121-N125 PolarHBondContact O-ND2 3.45Å; N121-R166 PolarHBondContact ND2-NH2 3.22Å |
| 122 | R | 75.2 | Confident | 66.9 | Low | 60 Ų | 60 | 50.6 Ų | 50.6 | 23% | 0.226 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.8 | -37.5 | 174.8 | -71.5 | -178.5 | -175.7 | -165 | 2.3 | 112 | E118 L119 R120 N125 L126 L232 K235 Q236 | E118-R122 WeakPolarHBondContact O-CG 3.34Å; E118-R122 PolarHBondContact O-N 3.07Å; E118-R122 IonicContact OE1-CZ 3.31Å; E118-R122 VanDerWaalsContact OE1-CZ 3.31Å; E118-R122 IonicContact OE1-NE 3.19Å; E118-R122 PolarHBondContact OE1-NE 3.43Å; E118-R122 IonicContact OE1-NH2 2.7Å; E118-R122 PolarHBondContact OE1-NH2 2.96Å; L119-R122 PolarHBondContact O-N 2.64Å; R120-R122 PolarHBondContact O-N 3.28Å; R122-N125 PolarHBondContact O-N 3.36Å; R122-L126 PolarHBondContact O-N 2.98Å; R122-L232 HydrophobicContact CB-CD1 3.73Å; R122-L232 HydrophobicContact CB-CD2 3.82Å; R122-L232 HydrophobicContact CB-CG 4.18Å; R122-L232 HydrophobicContact CG-CD1 4.48Å; R122-K235 PolarHBondContact NH1-O 2.86Å; R122-Q236 PolarHBondContact NH1-O 3.07Å; R122-Q236 PolarHBondContact NH2-O 3.13Å |
| 123 | T | 72.7 | Confident | 64.6 | Low | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.043 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.4 | -36.5 | 175.9 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | L119 R120 N125 L126 M210 L229 L232 | L119-T123 WeakPolarHBondContact O-CG2 3.41Å; L119-T123 PolarHBondContact O-N 3.29Å; L119-T123 PolarHBondContact O-OG1 2.86Å; R120-T123 WeakPolarHBondContact CA-OG1 3.49Å; R120-T123 PolarHBondContact O-N 3.14Å; R120-T123 VanDerWaalsContact O-N 3.17Å; R120-T123 PolarHBondContact O-OG1 3.41Å; T123-N125 VanDerWaalsContact C-N 3.27Å; T123-N125 PolarHBondContact O-N 3.18Å; T123-L126 WeakPolarHBondContact O-CB 3.33Å; T123-L126 PolarHBondContact O-N 3.11Å; T123-M210 HydrophobicContact CG2-SD 4.26Å; T123-L229 HydrophobicContact CG2-CD2 3.56Å; T123-L232 HydrophobicContact CG2-CD2 3.69Å |
| 124 | T | 68 | Low | 62.1 | Low | 46 Ų | 46 | 60.7 Ų | 60.7 | 28% | 0.282 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.5 | -29.3 | 173.9 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | R120 N121 L126 L135 L155 | R120-T124 WeakPolarHBondContact O-CG2 3.44Å; R120-T124 PolarHBondContact O-N 3.32Å; R120-T124 PolarHBondContact O-OG1 3.01Å; N121-T124 WeakPolarHBondContact CA-OG1 3.07Å; N121-T124 PolarHBondContact O-OG1 3.45Å; T124-L126 VanDerWaalsContact C-N 3.33Å; T124-L135 HydrophobicContact CG2-CD1 4.18Å; T124-L155 HydrophobicContact CG2-CD2 4.05Å |
| 125 | N | 68 | Low | 59.8 | Low | 131 Ų | 131 | 62.3 Ų | 62.3 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -1.5 | 179.7 | -71 | -3.2 | 0 | 0 | 0 | 113.7 | N121 R122 T123 A127 | N121-N125 WeakPolarHBondContact O-CB 3.24Å; N121-N125 PolarHBondContact O-N 3.02Å; N121-N125 PolarHBondContact O-ND2 3.45Å; R122-N125 PolarHBondContact O-N 3.36Å; T123-N125 VanDerWaalsContact C-N 3.27Å; T123-N125 PolarHBondContact O-N 3.18Å; N125-A127 PolarHBondContact O-N 3.36Å; N125-A127 VanDerWaalsContact O-N 3.09Å |
| 126 | L | 65.3 | Low | 57.9 | Low | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.209 | 36% | 0.364 | C | S | . | . | trans | -72.2 | 104 | -176.7 | -154.3 | 75.8 | 0 | 0 | 0 | 109.9 | R122 T123 T124 G128 F225 A228 L229 L232 | R122-L126 PolarHBondContact O-N 2.98Å; T123-L126 WeakPolarHBondContact O-CB 3.33Å; T123-L126 PolarHBondContact O-N 3.11Å; T124-L126 VanDerWaalsContact C-N 3.33Å; L126-G128 PolarHBondContact O-N 3.36Å; L126-F225 HydrophobicContact CD2-CD2 4.16Å; L126-F225 HydrophobicContact CD2-CE2 3.96Å; L126-A228 HydrophobicContact CD1-CB 4.12Å; L126-A228 HydrophobicContact CD2-CB 3.43Å; L126-A228 VanDerWaalsContact CD2-CB 3.43Å; L126-A228 HydrophobicContact CG-CB 3.81Å; L126-L229 HydrophobicContact CD2-CG 4.33Å; L126-L232 HydrophobicContact CD1-CD1 4.45Å | ||
| 127 | A | 51.3 | Low | 56 | Low | 102 Ų | 102 | 67.4 Ų | 67.4 | 84% | 0.843 | 38% | 0.38 | S | S | * | . | trans | -71.6 | 118.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | N125 | N125-A127 PolarHBondContact O-N 3.36Å; N125-A127 VanDerWaalsContact O-N 3.09Å | ||
| 128 | G | 49.6 | Very low | 53.8 | Low | 56 Ų | 56 | 69.4 Ų | 69.4 | 58% | 0.577 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 176 | -30 | 178.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | L126 | L126-G128 PolarHBondContact O-N 3.36Š|
| 129 | C | 46.4 | Very low | 51.3 | Low | 19 Ų | 19 | 74.9 Ų | 74.9 | 13% | 0.128 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -123.8 | -28.7 | -179.2 | -94.2 | 0 | 0 | 0 | 0 | 116 | Q221 | C129-Q221 PolarHBondContact SG-O 3.46Š|
| 130 | C | 45.3 | Very low | 49.1 | Very low | 47 Ų | 47 | 80.3 Ų | 80.3 | 32% | 0.318 | 45% | 0.446 | S | S | . | . | trans | -120.9 | 100.6 | -175.8 | -58.1 | 0 | 0 | 0 | 0 | 108.6 | E132 P151 | C130-E132 PolarHBondContact O-N 3.35Å; C130-P151 PolarHBondContact SG-O 3.35Å | ||
| 131 | K | 39.3 | Very low | 46.7 | Very low | 208 Ų | 208 | 84.2 Ų | 84.2 | 90% | 0.904 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -64.6 | 122.4 | 162.2 | -75.6 | -180 | 176 | 179.6 | 0 | 105.8 | ||
| 132 | E | 34.9 | Very low | 44.4 | Very low | 166 Ų | 166 | 90.8 Ų | 90.8 | 78% | 0.776 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 74.4 | 137.1 | -175.1 | -55.9 | 175 | 176.8 | 0 | 0 | 114.5 | C130 M134 | C130-E132 PolarHBondContact O-N 3.35Å; E132-M134 VanDerWaalsContact C-N 3.33Å; E132-M134 PolarHBondContact O-N 2.97Å |
| 133 | S | 35.5 | Very low | 42.1 | Very low | 125 Ų | 125 | 90.6 Ų | 90.6 | 87% | 0.874 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -51.5 | 84.4 | -178.2 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 134 | M | 29 | Very low | 39.9 | Very low | 95 Ų | 95 | 94.4 Ų | 94.4 | 47% | 0.468 | 54% | 0.539 | S | S | . | . | trans | -127.7 | 23.4 | 176.9 | -77.4 | -87.4 | -168.5 | 0 | 0 | 111.8 | E132 S136 | E132-M134 VanDerWaalsContact C-N 3.33Å; E132-M134 PolarHBondContact O-N 2.97Å; M134-S136 PolarHBondContact O-N 3.01Å | ||
| 135 | L | 33 | Very low | 38.4 | Very low | 56 Ų | 56 | 98.5 Ų | 98.5 | 29% | 0.293 | 57% | 0.567 | S | S | . | * | trans | -67.7 | 71.3 | 148.5 | -90.1 | 157.2 | 0 | 0 | 0 | 107.2 | T124 E137 C153 L155 | T124-L135 HydrophobicContact CG2-CD1 4.18Å; L135-E137 PolarHBondContact O-N 3.07Å; L135-C153 HydrophobicContact CD2-CB 4.31Å; L135-C153 VanDerWaalsContact CD2-O 3.29Å; L135-C153 WeakPolarHBondContact CD2-O 3.22Å; L135-L155 HydrophobicContact CD2-CB 3.99Å | ||
| 136 | S | 38.4 | Very low | 36.4 | Very low | 48 Ų | 48 | 97.6 Ų | 97.6 | 34% | 0.336 | 57% | 0.566 | S | S | . | * | trans | -72.9 | 84.9 | 175.8 | 72 | 0 | 0 | 0 | 0 | 108 | M134 V138 | M134-S136 PolarHBondContact O-N 3.01Å; S136-V138 PolarHBondContact O-N 2.64Å | ||
| 137 | E | 37.3 | Very low | 34.9 | Very low | 73 Ų | 73 | 103.1 Ų | 103.1 | 34% | 0.341 | 59% | 0.594 | S | S | . | * | trans | -69.8 | 104 | 169.3 | -66.5 | -172.9 | 145.4 | 0 | 0 | 108.4 | R120 L135 | R120-E137 IonicContact CZ-OE1 3.94Å; R120-E137 VanDerWaalsContact CZ-OE1 3.29Å; R120-E137 IonicContact CZ-OE2 2.9Å; R120-E137 IonicContact NE-OE1 3.29Å; R120-E137 PolarHBondContact NE-OE1 2.9Å; R120-E137 IonicContact NH2-OE1 2.73Å; R120-E137 PolarHBondContact NH2-OE1 3.38Å; R120-E137 IonicContact NH2-OE2 3Å; R120-E137 PolarHBondContact NH2-OE2 3.12Å; L135-E137 PolarHBondContact O-N 3.07Å | ||
| 138 | V | 33 | Very low | 34.1 | Very low | 42 Ų | 42 | 102.3 Ų | 102.3 | 26% | 0.255 | 58% | 0.582 | S | S | . | * | trans | -140.9 | 109.5 | -178.7 | -170.8 | 0 | 0 | 0 | 0 | 112.9 | S136 L141 R590 | S136-V138 PolarHBondContact O-N 2.64Å; V138-L141 HydrophobicContact CG1-CB 3.85Å; V138-L141 HydrophobicContact CG1-CD1 3.4Å; V138-L141 VanDerWaalsContact CG1-CD1 3.4Å; V138-L141 HydrophobicContact CG1-CG 4.22Å; V138-L141 HydrophobicContact CG2-CD1 4.36Å; V138-R590 PolarHBondContact O-NH1 3.16Å; V138-R590 PolarHBondContact O-NH2 3.23Å | ||
| 139 | W | 25.9 | Very low | 33.6 | Very low | 179 Ų | 179 | 106.6 Ų | 106.6 | 68% | 0.678 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -82.2 | 141.3 | 137.4 | -114.5 | -19.1 | 0 | 0 | 0 | 108.7 | ||
| 140 | P | 32.1 | Very low | 33.6 | Very low | 115 Ų | 115 | 107.6 Ų | 107.6 | 75% | 0.747 | 61% | 0.61 | S | S | * | * | -84.9 | 129.5 | -95.6 | 34.3 | -24.5 | 0 | 0 | 0 | 112 | |||||
| 141 | L | 25.5 | Very low | 33.9 | Very low | 99 Ų | 99 | 106.8 Ų | 106.8 | 52% | 0.518 | 61% | 0.605 | S | S | . | * | trans | -110.9 | 119.8 | 163.1 | -87.4 | 94.4 | 0 | 0 | 0 | 108.4 | V138 G143 E644 | V138-L141 HydrophobicContact CG1-CB 3.85Å; V138-L141 HydrophobicContact CG1-CD1 3.4Å; V138-L141 VanDerWaalsContact CG1-CD1 3.4Å; V138-L141 HydrophobicContact CG1-CG 4.22Å; V138-L141 HydrophobicContact CG2-CD1 4.36Å; L141-G143 VanDerWaalsContact C-N 3.28Å; L141-G143 PolarHBondContact O-N 2.99Å; L141-G143 VanDerWaalsContact O-N 3.14Å; L141-E644 WeakPolarHBondContact CD2-OE1 3Å | ||
| 142 | H | 25.9 | Very low | 35 | Very low | 193 Ų | 193 | 98.7 Ų | 98.7 | 89% | 0.894 | 57% | 0.572 | S | S | * | * | trans | -68.3 | 93.3 | 147.8 | -80.8 | -79.7 | 0 | 0 | 0 | 107.2 | ||||
| 143 | G | 27.3 | Very low | 36.3 | Very low | 55 Ų | 55 | 91 Ų | 91 | 57% | 0.567 | 54% | 0.537 | S | S | * | . | trans | -124 | 117.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L141 | L141-G143 VanDerWaalsContact C-N 3.28Å; L141-G143 PolarHBondContact O-N 2.99Å; L141-G143 VanDerWaalsContact O-N 3.14Å | ||
| 144 | S | 26.4 | Very low | 37.8 | Very low | 87 Ų | 87 | 87.1 Ų | 87.1 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | trans | 11.2 | 123.1 | 167.9 | 54.8 | 0 | 0 | 0 | 0 | 119 | T146 | S144-T146 PolarHBondContact O-N 3.04Š| ||
| 145 | P | 36.4 | Very low | 39.7 | Very low | 133 Ų | 133 | 83.9 Ų | 83.9 | 86% | 0.864 | 49% | 0.487 | S | S | * | . | trans | -77.4 | 72.2 | 167.6 | 35 | -31.5 | 0 | 0 | 0 | 109.2 | ||||
| 146 | T | 27.7 | Very low | 41.5 | Very low | 111 Ų | 111 | 82.9 Ų | 82.9 | 68% | 0.681 | 48% | 0.482 | S | S | * | . | trans | -109.6 | 87.1 | 167.9 | 50.6 | 0 | 0 | 0 | 0 | 108.4 | S144 S148 | S144-T146 PolarHBondContact O-N 3.04Å; T146-S148 PolarHBondContact O-N 3.36Å | ||
| 147 | I | 32.7 | Very low | 43.1 | Very low | 156 Ų | 156 | 80.8 Ų | 80.8 | 80% | 0.8 | 47% | 0.468 | S | S | * | . | trans | -9.9 | 103.8 | 157.1 | -56.3 | 160 | 0 | 0 | 0 | 113.3 | V149 | I147-V149 HydrophobicContact CG2-CG2 3.77Š| ||
| 148 | S | 34.8 | Very low | 44.6 | Very low | 85 Ų | 85 | 77.8 Ų | 77.8 | 59% | 0.594 | 46% | 0.455 | S | S | * | . | trans | -127.9 | 112 | 149.2 | 72.3 | 0 | 0 | 0 | 0 | 107.9 | T146 G150 | T146-S148 PolarHBondContact O-N 3.36Å; S148-G150 PolarHBondContact O-N 3.35Å | ||
| 149 | V | 39.7 | Very low | 46.1 | Very low | 147 Ų | 147 | 75.8 Ų | 75.8 | 89% | 0.891 | 44% | 0.443 | S | S | * | . | trans | -81.3 | 59.2 | -169.7 | -170.7 | 0 | 0 | 0 | 0 | 110.7 | I147 | I147-V149 HydrophobicContact CG2-CG2 3.77Š| ||
| 150 | G | 44.9 | Very low | 47.9 | Very low | 40 Ų | 40 | 68.7 Ų | 68.7 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -112.4 | 156.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S148 T152 | S148-G150 PolarHBondContact O-N 3.35Å; G150-T152 PolarHBondContact O-N 2.9Å |
| 151 | P | 53.4 | Low | 49.4 | Very low | 30 Ų | 30 | 66.2 Ų | 66.2 | 20% | 0.195 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 122.1 | 177.1 | 25.7 | -32.9 | 0 | 0 | 0 | 110.4 | C130 I215 A217 | C130-P151 PolarHBondContact SG-O 3.35Å; P151-I215 CarbonylContact C-O 3.52Å; P151-I215 VanDerWaalsContact CA-O 3.23Å; P151-I215 WeakPolarHBondContact CA-O 3.32Å; P151-A217 HydrophobicContact CB-CB 3.88Å |
| 152 | T | 60.5 | Low | 51.4 | Low | 37 Ų | 37 | 61.7 Ų | 61.7 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 117.3 | 178.7 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | G150 I215 | G150-T152 PolarHBondContact O-N 2.9Å; T152-I215 PolarHBondContact N-O 3.27Å; T152-I215 PolarHBondContact O-N 3.01Å |
| 153 | C | 63.2 | Low | 53.3 | Low | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.034 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129.9 | 172.1 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | L135 V212 M213 | L135-C153 HydrophobicContact CD2-CB 4.31Å; L135-C153 VanDerWaalsContact CD2-O 3.29Å; L135-C153 WeakPolarHBondContact CD2-O 3.22Å; C153-V212 WeakPolarHBondContact SG-CG1 3.09Å; C153-M213 CarbonylContact C-O 3.57Å |
| 154 | R | 67.2 | Low | 55.1 | Low | 44 Ų | 44 | 58.3 Ų | 58.3 | 17% | 0.166 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.8 | -177.9 | -70.7 | -173.8 | 172.5 | 162.5 | -1 | 110.4 | V212 M213 | R154-V212 CarbonylContact O-C 3.55Å; R154-V212 WeakPolarHBondContact O-CA 3.27Å; R154-M213 PolarHBondContact N-O 2.88Å; R154-M213 PolarHBondContact O-N 3.44Å |
| 155 | L | 69.5 | Low | 57.2 | Low | 26 Ų | 26 | 56.2 Ų | 56.2 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.3 | -170.1 | -169.1 | 58.5 | 0 | 0 | 0 | 111 | R120 T124 L135 M210 V212 | R120-L155 HydrophobicContact CG-CD2 3.97Å; T124-L155 HydrophobicContact CG2-CD2 4.05Å; L135-L155 HydrophobicContact CD2-CB 3.99Å; L155-M210 HydrophobicContact CD1-CE 3.4Å; L155-M210 HydrophobicContact CD1-CG 3.53Å; L155-M210 HydrophobicContact CD1-SD 3.59Å; L155-M210 VanDerWaalsContact CD1-SD 3.59Å; L155-M210 HydrophobicContact CD2-CE 3.48Å; L155-M210 VanDerWaalsContact CD2-CE 3.48Å; L155-M210 HydrophobicContact CG-CE 3.58Å; L155-M210 HydrophobicContact CG-CG 4.44Å; L155-M210 HydrophobicContact CG-SD 4.43Å; L155-V212 HydrophobicContact CD1-CB 4.36Å; L155-V212 HydrophobicContact CD1-CG2 3.53Å |
| 156 | L | 70.2 | Confident | 59.1 | Low | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.7 | 175.6 | -176 | 66.4 | 0 | 0 | 0 | 109.4 | L191 L192 M210 T211 F586 | L156-L191 HydrophobicContact CD2-CD1 4.04Å; L156-L191 HydrophobicContact CD2-CD2 3.24Å; L156-L191 HydrophobicContact CD2-CG 3.37Å; L156-L192 HydrophobicContact CD1-CD2 4.39Å; L156-L192 HydrophobicContact CG-CD2 4.49Å; L156-M210 CarbonylContact O-C 3.59Å; L156-M210 WeakPolarHBondContact O-CA 3.29Å; L156-T211 PolarHBondContact N-O 2.84Å; L156-T211 PolarHBondContact O-N 3.33Å; L156-F586 HydrophobicContact CD1-CE2 4.4Å; L156-F586 HydrophobicContact CD2-CE2 4.41Å |
| 157 | S | 71.4 | Confident | 61.4 | Low | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.028 | 30% | 0.304 | C | S | . | . | trans | -149.7 | 155.6 | -179.3 | 62.3 | 0 | 0 | 0 | 0 | 112.3 | S159 G160 Y208 | S157-S159 PolarHBondContact O-N 3.14Å; S157-S159 PolarHBondContact OG-OG 2.79Å; S157-G160 PolarHBondContact O-N 2.85Å; S157-G160 VanDerWaalsContact O-N 3.12Å; S157-Y208 WeakPolarHBondContact CB-OH 3.39Å | ||
| 158 | P | 69.1 | Low | 63.3 | Low | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -53.2 | -21.7 | 173.7 | -28.3 | 33 | 0 | 0 | 0 | 114.5 | F113 G160 L161 W162 L192 Y208 A209 | F113-P158 HydrophobicContact CE1-CB 4.12Å; P158-G160 PolarHBondContact O-N 2.97Å; P158-L161 WeakPolarHBondContact O-CB 3.37Å; P158-L161 PolarHBondContact O-N 3.4Å; P158-W162 WeakPolarHBondContact O-CZ3 3.48Å; P158-L192 HydrophobicContact CG-CB 4.31Å; P158-L192 WeakPolarHBondContact CG-O 3.41Å; P158-Y208 HydrophobicContact CB-CD2 4.06Å; P158-Y208 HydrophobicContact CB-CE2 3.66Å; P158-Y208 HydrophobicContact CG-CD2 3.71Å; P158-Y208 HydrophobicContact CG-CE2 3.57Å; P158-Y208 HydrophobicContact CG-CG 4.49Å; P158-A209 WeakPolarHBondContact CD-O 3.37Å |
| 159 | S | 65.5 | Low | 65.3 | Low | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -56.3 | -24.2 | 176.9 | 70.7 | 0 | 0 | 0 | 0 | 113.8 | F117 R120 S157 L161 W162 H164 | F117-S159 VanDerWaalsContact CE1-CB 3.42Å; F117-S159 VanDerWaalsContact CZ-CB 3.48Å; R120-S159 WeakPolarHBondContact CD-OG 3.19Å; S157-S159 PolarHBondContact O-N 3.14Å; S157-S159 PolarHBondContact OG-OG 2.79Å; S159-L161 PolarHBondContact O-N 2.78Å; S159-W162 PolarHBondContact O-N 2.75Å; S159-W162 VanDerWaalsContact O-N 3.16Å; S159-H164 PolarHBondContact O-N 3.15Å; S159-H164 PolarHBondContact OG-ND1 3.34Å |
| 160 | G | 63.2 | Low | 67.1 | Low | 30 Ų | 30 | 37.9 Ų | 37.9 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -62 | -22.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S157 P158 W162 N163 H164 | S157-G160 PolarHBondContact O-N 2.85Å; S157-G160 VanDerWaalsContact O-N 3.12Å; P158-G160 PolarHBondContact O-N 2.97Å; G160-W162 PolarHBondContact O-N 3.45Å; G160-N163 PolarHBondContact O-N 2.99Å; G160-H164 VanDerWaalsContact CA-CE1 3.46Å; G160-H164 WeakPolarHBondContact CA-CE1 3.18Å |
| 161 | L | 63.8 | Low | 68.6 | Low | 62 Ų | 62 | 36.1 Ų | 36.1 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -64.8 | -30 | 176.2 | -137.1 | 92 | 0 | 0 | 0 | 112.4 | P158 S159 S178 L192 | P158-L161 WeakPolarHBondContact O-CB 3.37Å; P158-L161 PolarHBondContact O-N 3.4Å; S159-L161 PolarHBondContact O-N 2.78Å; L161-S178 WeakPolarHBondContact CD2-O 3.14Å; L161-L192 HydrophobicContact CD1-CD1 4.49Å |
| 162 | W | 67.9 | Low | 69.6 | Low | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -110.9 | 29 | 179 | -56.3 | -86.1 | 0 | 0 | 0 | 112.2 | F113 F117 P158 S159 G160 H164 S165 V168 L169 D172 F175 L179 | F113-W162 HydrophobicContact CD1-CH2 4.05Å; F113-W162 AromaticContact CD1-CZ3 3.96Å; F113-W162 HydrophobicContact CD1-CZ3 3.96Å; F113-W162 HydrophobicContact CE1-CH2 4.13Å; F113-W162 HydrophobicContact CE1-CZ3 4.2Å; F117-W162 HydrophobicContact CE2-CE3 4.06Å; F117-W162 HydrophobicContact CZ-CB 4.19Å; F117-W162 HydrophobicContact CZ-CE3 4.05Å; P158-W162 WeakPolarHBondContact O-CZ3 3.48Å; S159-W162 PolarHBondContact O-N 2.75Å; S159-W162 VanDerWaalsContact O-N 3.16Å; G160-W162 PolarHBondContact O-N 3.45Å; W162-H164 PolarHBondContact O-N 3.27Å; W162-H164 VanDerWaalsContact O-N 3.15Å; W162-S165 PolarHBondContact O-N 3.29Å; W162-S165 VanDerWaalsContact O-N 3.14Å; W162-V168 HydrophobicContact CB-CB 4.33Å; W162-V168 HydrophobicContact CB-CG1 4.1Å; W162-L169 HydrophobicContact CB-CB 4.39Å; W162-L169 HydrophobicContact CD2-CB 4.45Å; W162-L169 HydrophobicContact CD2-CD1 3.66Å; W162-L169 VanDerWaalsContact CE2-CD1 3.48Å; W162-L169 HydrophobicContact CE3-CD1 4.07Å; W162-L169 HydrophobicContact CG-CB 4.14Å; W162-L169 HydrophobicContact CG-CD1 4.14Å; W162-L169 HydrophobicContact CH2-CD1 4.14Å; W162-L169 HydrophobicContact CZ2-CD1 3.76Å; W162-L169 HydrophobicContact CZ3-CD1 4.29Å; W162-D172 PolarHBondContact NE1-OD2 2.81Å; W162-F175 HydrophobicContact CH2-CD2 4.48Å; W162-F175 HydrophobicContact CH2-CE2 4.3Å; W162-F175 AromaticContact CZ2-CD2 3.79Å; W162-F175 HydrophobicContact CZ2-CD2 3.79Å; W162-F175 HydrophobicContact CZ2-CE2 4.06Å; W162-L179 HydrophobicContact CH2-CD1 3.87Å; W162-L179 HydrophobicContact CH2-CG 4.13Å; W162-L179 HydrophobicContact CZ2-CD1 4.02Å |
| 163 | N | 64.5 | Low | 70.2 | Confident | 114 Ų | 114 | 42.9 Ų | 42.9 | 61% | 0.61 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.4 | 178.6 | -162.7 | 33.4 | 0 | 0 | 0 | 113.6 | G160 S165 | G160-N163 PolarHBondContact O-N 2.99Å; N163-S165 PolarHBondContact O-N 3.02Å |
| 164 | H | 65.5 | Low | 70.5 | Confident | 64 Ų | 64 | 50.7 Ų | 50.7 | 30% | 0.296 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 14 | 178.5 | -51.5 | -64.9 | 0 | 0 | 0 | 115.6 | R120 S159 G160 W162 | R120-H164 PolarHBondContact NE-ND1 3.27Å; S159-H164 PolarHBondContact O-N 3.15Å; S159-H164 PolarHBondContact OG-ND1 3.34Å; G160-H164 VanDerWaalsContact CA-CE1 3.46Å; G160-H164 WeakPolarHBondContact CA-CE1 3.18Å; W162-H164 PolarHBondContact O-N 3.27Å; W162-H164 VanDerWaalsContact O-N 3.15Å |
| 165 | S | 70.4 | Confident | 70.5 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 30% | 0.301 | 23% | 0.233 | S | C | . | . | trans | -104.7 | 124.8 | 178.8 | 177.7 | 0 | 0 | 0 | 0 | 112.3 | W162 N163 H167 V168 L169 | W162-S165 PolarHBondContact O-N 3.29Å; W162-S165 VanDerWaalsContact O-N 3.14Å; N163-S165 PolarHBondContact O-N 3.02Å; S165-H167 PolarHBondContact O-N 3.4Å; S165-H167 PolarHBondContact OG-N 2.98Å; S165-V168 PolarHBondContact O-N 3.03Å; S165-V168 PolarHBondContact OG-N 3.29Å; S165-L169 PolarHBondContact O-N 3Å | ||
| 166 | R | 76.6 | Confident | 70.3 | Confident | 86 Ų | 86 | 49.9 Ų | 49.9 | 33% | 0.325 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.4 | -36.8 | 171.4 | -59.3 | -175.5 | -154.9 | 168.9 | 3.9 | 111.5 | F117 N121 V168 L169 L170 | F117-R166 HydrophobicContact CB-CG 3.82Å; F117-R166 HydrophobicContact CD1-CG 4.13Å; F117-R166 HydrophobicContact CG-CG 4.12Å; N121-R166 PolarHBondContact ND2-NH2 3.22Å; R166-V168 VanDerWaalsContact C-N 3.32Å; R166-V168 PolarHBondContact O-N 3.06Å; R166-L169 PolarHBondContact O-N 3.07Å; R166-L170 VanDerWaalsContact O-CG 3.26Å; R166-L170 WeakPolarHBondContact O-CG 3.02Å; R166-L170 PolarHBondContact O-N 2.88Å |
| 167 | H | 75.6 | Confident | 70.2 | Confident | 103 Ų | 103 | 53.8 Ų | 53.8 | 48% | 0.477 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.6 | -36.6 | -179.3 | -169.7 | -67.8 | 0 | 0 | 0 | 111.8 | S165 L170 A171 | S165-H167 PolarHBondContact O-N 3.4Å; S165-H167 PolarHBondContact OG-N 2.98Å; H167-L170 PolarHBondContact O-N 2.93Å; H167-A171 VanDerWaalsContact O-CB 3.29Å; H167-A171 WeakPolarHBondContact O-CB 3.1Å; H167-A171 PolarHBondContact O-N 2.89Å |
| 168 | V | 73.7 | Confident | 69.7 | Low | 38 Ų | 38 | 54.8 Ų | 54.8 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.7 | -38.3 | 178.7 | 178.4 | 0 | 0 | 0 | 0 | 111 | W162 S165 R166 A171 D172 I631 | W162-V168 HydrophobicContact CB-CB 4.33Å; W162-V168 HydrophobicContact CB-CG1 4.1Å; S165-V168 PolarHBondContact O-N 3.03Å; S165-V168 PolarHBondContact OG-N 3.29Å; R166-V168 VanDerWaalsContact C-N 3.32Å; R166-V168 PolarHBondContact O-N 3.06Å; V168-A171 PolarHBondContact O-N 2.81Å; V168-D172 PolarHBondContact O-N 3.49Å; V168-D172 VanDerWaalsContact O-N 3.13Å; V168-I631 HydrophobicContact CG1-CD1 3.86Å; V168-I631 HydrophobicContact CG1-CG1 4.44Å |
| 169 | L | 76.6 | Confident | 69.3 | Low | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 171.3 | 175.5 | 71.8 | 0 | 0 | 0 | 111.4 | F113 F117 W162 S165 R166 A171 D172 F175 | F113-L169 HydrophobicContact CB-CD1 4.47Å; F113-L169 HydrophobicContact CB-CD2 3.88Å; F117-L169 HydrophobicContact CD2-CD2 3.89Å; F117-L169 HydrophobicContact CE2-CB 4.3Å; F117-L169 HydrophobicContact CE2-CD2 3.76Å; F117-L169 HydrophobicContact CE2-CG 4.45Å; W162-L169 HydrophobicContact CB-CB 4.39Å; W162-L169 HydrophobicContact CD2-CB 4.45Å; W162-L169 HydrophobicContact CD2-CD1 3.66Å; W162-L169 VanDerWaalsContact CE2-CD1 3.48Å; W162-L169 HydrophobicContact CE3-CD1 4.07Å; W162-L169 HydrophobicContact CG-CB 4.14Å; W162-L169 HydrophobicContact CG-CD1 4.14Å; W162-L169 HydrophobicContact CH2-CD1 4.14Å; W162-L169 HydrophobicContact CZ2-CD1 3.76Å; W162-L169 HydrophobicContact CZ3-CD1 4.29Å; S165-L169 PolarHBondContact O-N 3Å; R166-L169 PolarHBondContact O-N 3.07Å; L169-A171 VanDerWaalsContact C-N 3.27Å; L169-A171 PolarHBondContact O-N 3.27Å; L169-D172 PolarHBondContact O-N 3.24Å; L169-F175 HydrophobicContact CD1-CD2 4.15Å; L169-F175 HydrophobicContact CD1-CE2 4.25Å |
| 170 | L | 77.1 | Confident | 68.9 | Low | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.2 | -30.7 | -178.7 | -66.9 | 168.6 | 0 | 0 | 0 | 112.6 | R166 H167 M619 R622 T623 A626 | R166-L170 VanDerWaalsContact O-CG 3.26Å; R166-L170 WeakPolarHBondContact O-CG 3.02Å; R166-L170 PolarHBondContact O-N 2.88Å; H167-L170 PolarHBondContact O-N 2.93Å; L170-M619 HydrophobicContact CD2-CG 4.01Å; L170-R622 HydrophobicContact CD1-CB 4.11Å; L170-T623 HydrophobicContact CB-CG2 4.17Å; L170-T623 HydrophobicContact CD2-CG2 3.45Å; L170-T623 VanDerWaalsContact CD2-CG2 3.45Å; L170-T623 HydrophobicContact CG-CG2 4.41Å; L170-A626 HydrophobicContact CB-CB 4.35Å |
| 171 | A | 75.8 | Confident | 68.2 | Low | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -81.1 | -14.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | H167 V168 L169 R173 V629 | H167-A171 VanDerWaalsContact O-CB 3.29Å; H167-A171 WeakPolarHBondContact O-CB 3.1Å; H167-A171 PolarHBondContact O-N 2.89Å; V168-A171 PolarHBondContact O-N 2.81Å; L169-A171 VanDerWaalsContact C-N 3.27Å; L169-A171 PolarHBondContact O-N 3.27Å; A171-R173 PolarHBondContact O-N 3.01Å; A171-R173 VanDerWaalsContact O-N 3.13Å; A171-V629 HydrophobicContact CB-CB 3.97Å; A171-V629 HydrophobicContact CB-CG2 3.95Å |
| 172 | D | 74.2 | Confident | 67.4 | Low | 8 Ų | 8 | 66.3 Ų | 66.3 | 4% | 0.043 | 32% | 0.323 | C | S | . | . | trans | -72.7 | 103.6 | -176.5 | -174.7 | 5.1 | 0 | 0 | 0 | 112 | R110 W162 V168 L169 R174 F175 S178 I631 | R110-D172 PolarHBondContact NH2-O 3.1Å; R110-D172 VanDerWaalsContact NH2-O 3.11Å; W162-D172 PolarHBondContact NE1-OD2 2.81Å; V168-D172 PolarHBondContact O-N 3.49Å; V168-D172 VanDerWaalsContact O-N 3.13Å; L169-D172 PolarHBondContact O-N 3.24Å; D172-R174 VanDerWaalsContact C-N 3.35Å; D172-R174 WeakPolarHBondContact OD1-CA 3.19Å; D172-R174 WeakPolarHBondContact OD1-CB 3.25Å; D172-R174 PolarHBondContact OD1-N 3.41Å; D172-F175 HydrophobicContact CB-CB 4.46Å; D172-F175 PolarHBondContact OD1-N 3.28Å; D172-S178 PolarHBondContact OD2-OG 2.75Å; D172-I631 HydrophobicContact CB-CD1 4.06Å | ||
| 173 | R | 73.3 | Confident | 66 | Low | 200 Ų | 200 | 73.8 Ų | 73.8 | 76% | 0.755 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -21.7 | 174.1 | -70.8 | -168.5 | 175.1 | -174.7 | 0.7 | 114 | A171 F175 | A171-R173 PolarHBondContact O-N 3.01Å; A171-R173 VanDerWaalsContact O-N 3.13Å; R173-F175 VanDerWaalsContact C-N 3.3Å |
| 174 | R | 68.6 | Low | 64.8 | Low | 169 Ų | 169 | 72.3 Ų | 72.3 | 64% | 0.638 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -9.4 | -179 | -65.8 | -174.2 | -177.6 | -174.9 | 2.2 | 112.7 | D172 N177 S178 | D172-R174 VanDerWaalsContact C-N 3.35Å; D172-R174 WeakPolarHBondContact OD1-CA 3.19Å; D172-R174 WeakPolarHBondContact OD1-CB 3.25Å; D172-R174 PolarHBondContact OD1-N 3.41Å; R174-N177 WeakPolarHBondContact O-CA 3.45Å; R174-N177 WeakPolarHBondContact O-CB 3.23Å; R174-N177 PolarHBondContact O-N 2.71Å; R174-S178 PolarHBondContact O-N 3.32Å |
| 175 | F | 68.4 | Low | 63.6 | Low | 7 Ų | 7 | 71.1 Ų | 71.1 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 129.4 | 172.9 | -176.6 | -81.6 | 0 | 0 | 0 | 110.8 | M109 R110 F113 W162 L169 D172 R173 L179 | M109-F175 HydrophobicContact CB-CE1 3.93Å; M109-F175 HydrophobicContact CB-CZ 4.06Å; M109-F175 HydrophobicContact CE-CZ 4.12Å; M109-F175 HydrophobicContact CG-CE1 3.98Å; M109-F175 HydrophobicContact CG-CZ 3.66Å; M109-F175 HydrophobicContact SD-CE1 3.82Å; M109-F175 HydrophobicContact SD-CZ 3.63Å; R110-F175 HydrophobicContact CB-CE1 4.27Å; R110-F175 HydrophobicContact CG-CD1 3.31Å; R110-F175 HydrophobicContact CG-CE1 3.3Å; R110-F175 HydrophobicContact CG-CG 3.98Å; R110-F175 HydrophobicContact CG-CZ 3.95Å; R110-F175 PolarHBondContact NH2-O 2.9Å; F113-F175 HydrophobicContact CD2-CE2 4.21Å; F113-F175 HydrophobicContact CD2-CZ 4.03Å; F113-F175 HydrophobicContact CE2-CZ 4.47Å; F113-F175 HydrophobicContact CG-CE2 4.43Å; W162-F175 HydrophobicContact CH2-CD2 4.48Å; W162-F175 HydrophobicContact CH2-CE2 4.3Å; W162-F175 AromaticContact CZ2-CD2 3.79Å; W162-F175 HydrophobicContact CZ2-CD2 3.79Å; W162-F175 HydrophobicContact CZ2-CE2 4.06Å; L169-F175 HydrophobicContact CD1-CD2 4.15Å; L169-F175 HydrophobicContact CD1-CE2 4.25Å; D172-F175 HydrophobicContact CB-CB 4.46Å; D172-F175 PolarHBondContact OD1-N 3.28Å; R173-F175 VanDerWaalsContact C-N 3.3Å; F175-L179 HydrophobicContact CD2-CD1 3.99Å; F175-L179 HydrophobicContact CE2-CD1 3.65Å; F175-L179 HydrophobicContact CZ-CD1 4.47Å |
| 176 | P | 64.4 | Low | 62.3 | Low | 46 Ų | 46 | 77.2 Ų | 77.2 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -94.9 | -2.7 | 15.6 | 34.8 | -35.1 | 0 | 0 | 0 | 116.7 | M109 S178 L179 | M109-P176 HydrophobicContact CE-CB 4.25Å; M109-P176 HydrophobicContact SD-CB 3.63Å; M109-P176 HydrophobicContact SD-CG 4.5Å; P176-S178 PolarHBondContact O-N 3.35Å; P176-S178 VanDerWaalsContact O-N 3.1Å; P176-L179 WeakPolarHBondContact O-CD1 3.36Å; P176-L179 PolarHBondContact O-N 3.39Å; P176-L179 VanDerWaalsContact O-N 3.16Å |
| 177 | N | 68.1 | Low | 60.8 | Low | 118 Ų | 118 | 75.5 Ų | 75.5 | 63% | 0.631 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -60.5 | -25.3 | -175.7 | -62.9 | -17.8 | 0 | 0 | 0 | 113.9 | R174 L179 H180 S181 | R174-N177 WeakPolarHBondContact O-CA 3.45Å; R174-N177 WeakPolarHBondContact O-CB 3.23Å; R174-N177 PolarHBondContact O-N 2.71Å; N177-L179 PolarHBondContact O-N 3Å; N177-H180 PolarHBondContact O-N 3.14Å; N177-S181 PolarHBondContact O-N 2.9Å |
| 178 | S | 62.6 | Low | 59.5 | Low | 26 Ų | 26 | 76.2 Ų | 76.2 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -54.3 | -33.9 | 175.9 | -56.7 | 0 | 0 | 0 | 0 | 113 | L161 D172 R174 P176 H180 | L161-S178 WeakPolarHBondContact CD2-O 3.14Å; D172-S178 PolarHBondContact OD2-OG 2.75Å; R174-S178 PolarHBondContact O-N 3.32Å; P176-S178 PolarHBondContact O-N 3.35Å; P176-S178 VanDerWaalsContact O-N 3.1Å; S178-H180 PolarHBondContact O-N 2.97Å |
| 179 | L | 60.1 | Low | 58.2 | Low | 46 Ų | 46 | 75.9 Ų | 75.9 | 24% | 0.241 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -67 | -34.7 | 177.5 | -76.5 | 99.4 | 0 | 0 | 0 | 112.7 | M109 F113 W162 F175 P176 N177 | M109-L179 HydrophobicContact CE-CD1 4.16Å; M109-L179 HydrophobicContact CE-CD2 4.45Å; F113-L179 HydrophobicContact CE1-CD2 4.04Å; F113-L179 HydrophobicContact CE2-CD2 4.41Å; F113-L179 HydrophobicContact CZ-CD2 3.57Å; W162-L179 HydrophobicContact CH2-CD1 3.87Å; W162-L179 HydrophobicContact CH2-CG 4.13Å; W162-L179 HydrophobicContact CZ2-CD1 4.02Å; F175-L179 HydrophobicContact CD2-CD1 3.99Å; F175-L179 HydrophobicContact CE2-CD1 3.65Å; F175-L179 HydrophobicContact CZ-CD1 4.47Å; P176-L179 WeakPolarHBondContact O-CD1 3.36Å; P176-L179 PolarHBondContact O-N 3.39Å; P176-L179 VanDerWaalsContact O-N 3.16Å; N177-L179 PolarHBondContact O-N 3Å |
| 180 | H | 55.7 | Low | 57 | Low | 79 Ų | 79 | 77 Ų | 77 | 37% | 0.366 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -15.9 | -176.8 | -64.9 | -67 | 0 | 0 | 0 | 114 | N177 S178 K182 K183 | N177-H180 PolarHBondContact O-N 3.14Å; S178-H180 PolarHBondContact O-N 2.97Å; H180-K182 PolarHBondContact O-N 3.21Å; H180-K182 VanDerWaalsContact O-N 3.11Å; H180-K183 WeakPolarHBondContact O-CG 3.44Å; H180-K183 PolarHBondContact O-N 2.83Å |
| 181 | S | 49.9 | Very low | 55.8 | Low | 101 Ų | 101 | 77 Ų | 77 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.8 | -173.8 | 170.3 | 0 | 0 | 0 | 0 | 114.2 | N177 K183 | N177-S181 PolarHBondContact O-N 2.9Å; S181-K183 VanDerWaalsContact C-N 3.3Å; S181-K183 PolarHBondContact O-N 2.81Å |
| 182 | K | 47.2 | Very low | 54.7 | Low | 117 Ų | 117 | 78.7 Ų | 78.7 | 51% | 0.509 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 37.7 | 176.8 | -74.2 | -172.6 | 178.5 | 172.6 | 0 | 113.4 | H180 G184 A185 | H180-K182 PolarHBondContact O-N 3.21Å; H180-K182 VanDerWaalsContact O-N 3.11Å; K182-G184 PolarHBondContact O-N 3.44Å; K182-A185 PolarHBondContact O-N 2.93Å |
| 183 | K | 37.6 | Very low | 53.8 | Low | 162 Ų | 162 | 80.4 Ų | 80.4 | 70% | 0.704 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -10.9 | 172.3 | -92.4 | 178 | 179.2 | -172.2 | 0 | 115.1 | H180 S181 | H180-K183 WeakPolarHBondContact O-CG 3.44Å; H180-K183 PolarHBondContact O-N 2.83Å; S181-K183 VanDerWaalsContact C-N 3.3Å; S181-K183 PolarHBondContact O-N 2.81Å |
| 184 | G | 39.2 | Very low | 52.6 | Low | 82 Ų | 82 | 71.5 Ų | 71.5 | 85% | 0.845 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | K182 | K182-G184 PolarHBondContact O-N 3.44Š|
| 185 | A | 41.3 | Very low | 51.5 | Low | 40 Ų | 40 | 64.8 Ų | 64.8 | 33% | 0.331 | 37% | 0.369 | S | S | . | . | trans | -136.1 | 76.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K182 C187 K188 G189 | K182-A185 PolarHBondContact O-N 2.93Å; A185-C187 VanDerWaalsContact C-N 3.27Å; A185-C187 PolarHBondContact O-N 3.24Å; A185-C187 VanDerWaalsContact O-N 3.16Å; A185-K188 HydrophobicContact CB-CB 4.19Å; A185-K188 HydrophobicContact CB-CD 4.33Å; A185-K188 PolarHBondContact O-N 3.35Å; A185-G189 PolarHBondContact O-N 3.08Å | ||
| 186 | Y | 42.2 | Very low | 50.2 | Low | 171 Ų | 171 | 66.6 Ų | 66.6 | 67% | 0.671 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -44.1 | -46.5 | -178.3 | -81.9 | -94.7 | 0 | 0 | 0 | 113.1 | K188 G189 E190 | Y186-K188 VanDerWaalsContact C-N 3.34Å; Y186-K188 PolarHBondContact O-N 2.87Å; Y186-G189 PolarHBondContact O-N 2.95Å; Y186-E190 PolarHBondContact O-N 3.28Å |
| 187 | C | 45.9 | Very low | 48.9 | Very low | 50 Ų | 50 | 72 Ų | 72 | 34% | 0.338 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.9 | -34 | 176.5 | -109.7 | 0 | 0 | 0 | 0 | 114.8 | A185 L191 C582 | A185-C187 VanDerWaalsContact C-N 3.27Å; A185-C187 PolarHBondContact O-N 3.24Å; A185-C187 VanDerWaalsContact O-N 3.16Å; C187-L191 VanDerWaalsContact O-CB 3.23Å; C187-L191 WeakPolarHBondContact O-CB 3.08Å; C187-L191 PolarHBondContact O-N 2.97Å; C187-C582 VanDerWaalsContact CA-SG 3.56Å; C187-C582 HydrophobicContact CB-CB 4.2Å; C187-C582 WeakPolarHBondContact CB-SG 3.27Å; C187-C582 WeakPolarHBondContact SG-CB 3.49Å; C187-C582 CovalentContact SG-SG 2.07Å; C187-C582 PolarHBondContact SG-SG 2.58Å |
| 188 | K | 46.7 | Very low | 47.6 | Very low | 117 Ų | 117 | 70.7 Ų | 70.7 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -79.6 | -29.9 | -176.9 | -82.2 | 178.7 | -179.5 | 166.1 | 0 | 112.2 | A185 Y186 L192 | A185-K188 HydrophobicContact CB-CB 4.19Å; A185-K188 HydrophobicContact CB-CD 4.33Å; A185-K188 PolarHBondContact O-N 3.35Å; Y186-K188 VanDerWaalsContact C-N 3.34Å; Y186-K188 PolarHBondContact O-N 2.87Å; K188-L192 VanDerWaalsContact O-CD1 3.24Å; K188-L192 WeakPolarHBondContact O-CD1 3.48Å; K188-L192 WeakPolarHBondContact O-CG 3.42Å |
| 189 | G | 47.9 | Very low | 46.3 | Very low | 31 Ų | 31 | 71.8 Ų | 71.8 | 32% | 0.32 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.2 | -49.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | A185 Y186 L192 I193 | A185-G189 PolarHBondContact O-N 3.08Å; Y186-G189 PolarHBondContact O-N 2.95Å; G189-L192 PolarHBondContact O-N 3.43Å; G189-I193 PolarHBondContact O-N 3.41Å; G189-I193 VanDerWaalsContact O-N 3.08Å |
| 190 | E | 50.3 | Low | 45.2 | Very low | 26 Ų | 26 | 77.9 Ų | 77.9 | 12% | 0.121 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.5 | -40.2 | -178.3 | -68.7 | -178.2 | 175.5 | 0 | 0 | 112.5 | Y186 L192 I193 G194 | Y186-E190 PolarHBondContact O-N 3.28Å; E190-L192 PolarHBondContact O-N 2.97Å; E190-I193 PolarHBondContact O-N 2.87Å; E190-G194 PolarHBondContact O-N 3.14Å |
| 191 | L | 52 | Low | 44.5 | Very low | 16 Ų | 16 | 81.1 Ų | 81.1 | 8% | 0.084 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.4 | -26.7 | 175.9 | -174.3 | 65.3 | 0 | 0 | 0 | 113 | L156 C187 L579 W583 | L156-L191 HydrophobicContact CD2-CD1 4.04Å; L156-L191 HydrophobicContact CD2-CD2 3.24Å; L156-L191 HydrophobicContact CD2-CG 3.37Å; C187-L191 VanDerWaalsContact O-CB 3.23Å; C187-L191 WeakPolarHBondContact O-CB 3.08Å; C187-L191 PolarHBondContact O-N 2.97Å; L191-L579 HydrophobicContact CD1-CD1 3.92Å; L191-W583 VanDerWaalsContact CD1-CD1 3.42Å |
| 192 | L | 52.8 | Low | 44 | Very low | 40 Ų | 40 | 81.4 Ų | 81.4 | 21% | 0.209 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -85.1 | -31 | 176.9 | -70.1 | 171.9 | 0 | 0 | 0 | 112.6 | L156 P158 L161 K188 G189 E190 | L156-L192 HydrophobicContact CD1-CD2 4.39Å; L156-L192 HydrophobicContact CG-CD2 4.49Å; P158-L192 HydrophobicContact CG-CB 4.31Å; P158-L192 WeakPolarHBondContact CG-O 3.41Å; L161-L192 HydrophobicContact CD1-CD1 4.49Å; K188-L192 VanDerWaalsContact O-CD1 3.24Å; K188-L192 WeakPolarHBondContact O-CD1 3.48Å; K188-L192 WeakPolarHBondContact O-CG 3.42Å; G189-L192 PolarHBondContact O-N 3.43Å; E190-L192 PolarHBondContact O-N 2.97Å |
| 193 | I | 54.8 | Low | 43.8 | Very low | 45 Ų | 45 | 81 Ų | 81 | 23% | 0.231 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -93.2 | -19.4 | -177.3 | -63.1 | 161.9 | 0 | 0 | 0 | 111.6 | G189 E190 A209 | G189-I193 PolarHBondContact O-N 3.41Å; G189-I193 VanDerWaalsContact O-N 3.08Å; E190-I193 PolarHBondContact O-N 2.87Å; I193-A209 VanDerWaalsContact O-CB 3.28Å; I193-A209 WeakPolarHBondContact O-CB 3.46Å |
| 194 | G | 48 | Very low | 44.5 | Very low | 13 Ų | 13 | 76 Ų | 76 | 13% | 0.134 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 25.1 | 171 | 0 | 0 | 0 | 0 | 0 | 115.6 | E190 | E190-G194 PolarHBondContact O-N 3.14Š|
| 195 | G | 47.1 | Very low | 45.4 | Very low | 27 Ų | 27 | 77 Ų | 77 | 28% | 0.278 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -162.6 | 149.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | E197 | G195-E197 VanDerWaalsContact C-N 3.26Š|
| 196 | T | 40.3 | Very low | 46.5 | Very low | 45 Ų | 45 | 77.7 Ų | 77.7 | 28% | 0.276 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -72.3 | -24.6 | 174.9 | 50.8 | 0 | 0 | 0 | 0 | 111.5 | I198 P575 N576 | T196-I198 VanDerWaalsContact C-N 3.3Å; T196-I198 PolarHBondContact O-N 3.33Å; T196-P575 HydrophobicContact CG2-CB 3.88Å; T196-P575 WeakPolarHBondContact CG2-O 3.43Å; T196-N576 WeakPolarHBondContact CG2-OD1 3.34Å |
| 197 | E | 37.9 | Very low | 47.8 | Very low | 161 Ų | 161 | 72.7 Ų | 72.7 | 75% | 0.752 | 39% | 0.386 | S | S | * | . | trans | -74.7 | 89 | 164.4 | -64 | -173.1 | -178.6 | 0 | 0 | 108 | G195 P199 | G195-E197 VanDerWaalsContact C-N 3.26Å; E197-P199 VanDerWaalsContact C-N 3.33Å; E197-P199 WeakPolarHBondContact O-CD 3.48Å | ||
| 198 | I | 40.8 | Very low | 49.2 | Very low | 90 Ų | 90 | 70.4 Ų | 70.4 | 46% | 0.462 | 37% | 0.37 | S | S | . | . | trans | -56.7 | 108.1 | 149.6 | -59.7 | 166.3 | 0 | 0 | 0 | 103.3 | T196 K200 | T196-I198 VanDerWaalsContact C-N 3.3Å; T196-I198 PolarHBondContact O-N 3.33Å; I198-K200 PolarHBondContact O-N 3.43Å | ||
| 199 | P | 35.4 | Very low | 50.4 | Low | 48 Ų | 48 | 64.9 Ų | 64.9 | 31% | 0.312 | 35% | 0.347 | S | S | . | . | trans | -57.6 | 117.6 | 176.5 | 23.3 | -30.8 | 0 | 0 | 0 | 105.2 | E197 I201 | E197-P199 VanDerWaalsContact C-N 3.33Å; E197-P199 WeakPolarHBondContact O-CD 3.48Å; P199-I201 PolarHBondContact O-N 3.36Å | ||
| 200 | K | 36.8 | Very low | 51.8 | Low | 174 Ų | 174 | 63.4 Ų | 63.4 | 76% | 0.757 | 33% | 0.331 | S | S | * | . | trans | -48.2 | 132.9 | 163.9 | -69.7 | 174.2 | -179.1 | 171.1 | 0 | 104.1 | I198 T202 D203 | I198-K200 PolarHBondContact O-N 3.43Å; K200-T202 WeakPolarHBondContact CB-OG1 3.34Å; K200-T202 PolarHBondContact O-N 3.28Å; K200-T202 PolarHBondContact O-OG1 2.99Å; K200-D203 PolarHBondContact O-N 3.4Å | ||
| 201 | I | 39.8 | Very low | 53 | Low | 148 Ų | 148 | 62.1 Ų | 62.1 | 76% | 0.759 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -3.2 | -177.3 | -70.3 | 164 | 0 | 0 | 0 | 112.8 | P199 | P199-I201 PolarHBondContact O-N 3.36Š|
| 202 | T | 39.6 | Very low | 54.2 | Low | 106 Ų | 106 | 61.5 Ų | 61.5 | 65% | 0.65 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -19.3 | -179.9 | 49.8 | 0 | 0 | 0 | 0 | 115.9 | K200 | K200-T202 WeakPolarHBondContact CB-OG1 3.34Å; K200-T202 PolarHBondContact O-N 3.28Å; K200-T202 PolarHBondContact O-OG1 2.99Å |
| 203 | D | 44.1 | Very low | 55.3 | Low | 110 Ų | 110 | 59.7 Ų | 59.7 | 59% | 0.588 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -124.6 | 141.1 | -175.1 | -67.1 | -56.3 | 0 | 0 | 0 | 114.2 | K200 H205 | K200-D203 PolarHBondContact O-N 3.4Å; D203-H205 PolarHBondContact O-N 3.18Å |
| 204 | T | 52.2 | Low | 56.3 | Low | 56 Ų | 56 | 57.5 Ų | 57.5 | 34% | 0.344 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -67.9 | 21 | -166.7 | 41.3 | 0 | 0 | 0 | 0 | 116.2 | T94 | T94-T204 PolarHBondContact OG1-O 3.02Š|
| 205 | H | 57.2 | Low | 57.6 | Low | 103 Ų | 103 | 57.7 Ų | 57.7 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | trans | -114.5 | 110.2 | -179.2 | -62.8 | -68.7 | 0 | 0 | 0 | 110.4 | D203 | D203-H205 PolarHBondContact O-N 3.18Š| ||
| 206 | W | 64.7 | Low | 58.7 | Low | 54 Ų | 54 | 59.1 Ų | 59.1 | 21% | 0.205 | 31% | 0.314 | C | S | . | . | trans | -95.3 | 132.1 | 171 | -52.8 | -30.8 | 0 | 0 | 0 | 110.3 | T92 L108 M109 F112 | T92-W206 HydrophobicContact CG2-CB 3.79Å; T92-W206 HydrophobicContact CG2-CD2 4.24Å; T92-W206 HydrophobicContact CG2-CE3 4.11Å; T92-W206 HydrophobicContact CG2-CG 4.14Å; T92-W206 PolarHBondContact N-O 3.23Å; L108-W206 HydrophobicContact CB-CH2 3.35Å; L108-W206 HydrophobicContact CB-CZ3 3.65Å; L108-W206 WeakPolarHBondContact O-CZ3 3.41Å; M109-W206 VanDerWaalsContact CA-CZ3 3.41Å; M109-W206 HydrophobicContact CB-CD2 4.27Å; M109-W206 HydrophobicContact CB-CE3 4.1Å; M109-W206 HydrophobicContact CB-CH2 3.96Å; M109-W206 HydrophobicContact CB-CZ2 4.06Å; M109-W206 HydrophobicContact CB-CZ3 3.98Å; M109-W206 HydrophobicContact CG-CD2 4.11Å; M109-W206 HydrophobicContact CG-CE3 4.25Å; M109-W206 VanDerWaalsContact N-CH2 3.33Å; F112-W206 HydrophobicContact CB-CE3 4.03Å; F112-W206 HydrophobicContact CB-CZ3 4.46Å; F112-W206 HydrophobicContact CD1-CB 4.1Å; F112-W206 HydrophobicContact CD1-CE3 4.49Å; F112-W206 HydrophobicContact CE1-CB 3.96Å; F112-W206 HydrophobicContact CG-CE3 4.27Å; F112-W206 HydrophobicContact CZ-CB 4.43Å; F112-W206 WeakPolarHBondContact CZ-O 3.17Å | ||
| 207 | H | 69.5 | Low | 60.1 | Low | 66 Ų | 66 | 57.1 Ų | 57.1 | 31% | 0.306 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.5 | 178.4 | -58.2 | -66.9 | 0 | 0 | 0 | 110 | V90 H91 | V90-H207 WeakPolarHBondContact O-CA 3.38Å; H91-H207 AromaticContact CE1-CE1 3.56Å; H91-H207 AromaticContact CE1-ND1 3.32Å; H91-H207 PolarHBondContact CE1-ND1 3.11Å; H91-H207 VanDerWaalsContact CE1-ND1 3.32Å; H91-H207 AromaticContact ND1-CE1 3.12Å; H91-H207 PolarHBondContact ND1-CE1 2.86Å; H91-H207 AromaticContact ND1-ND1 2.77Å; H91-H207 PolarHBondContact ND1-ND1 3.25Å |
| 208 | Y | 75.3 | Confident | 61.6 | Low | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 118.5 | 169.5 | 173 | -83 | 0 | 0 | 0 | 108.2 | V90 F113 A116 S157 P158 M210 | V90-Y208 HydrophobicContact CB-CD1 4.47Å; V90-Y208 HydrophobicContact CG2-CD1 3.99Å; V90-Y208 PolarHBondContact N-O 3.15Å; V90-Y208 PolarHBondContact O-N 3.08Å; F113-Y208 HydrophobicContact CD1-CD2 4.03Å; F113-Y208 HydrophobicContact CD1-CE2 4.28Å; F113-Y208 AromaticContact CE1-CD2 3.82Å; F113-Y208 HydrophobicContact CE1-CD2 3.82Å; F113-Y208 HydrophobicContact CE1-CE2 4.32Å; A116-Y208 HydrophobicContact CB-CD1 3.72Å; A116-Y208 HydrophobicContact CB-CD2 3.65Å; A116-Y208 HydrophobicContact CB-CE1 3.74Å; A116-Y208 HydrophobicContact CB-CE2 3.63Å; A116-Y208 HydrophobicContact CB-CG 3.67Å; S157-Y208 WeakPolarHBondContact CB-OH 3.39Å; P158-Y208 HydrophobicContact CB-CD2 4.06Å; P158-Y208 HydrophobicContact CB-CE2 3.66Å; P158-Y208 HydrophobicContact CG-CD2 3.71Å; P158-Y208 HydrophobicContact CG-CE2 3.57Å; P158-Y208 HydrophobicContact CG-CG 4.49Å; Y208-M210 HydrophobicContact CE1-CB 3.99Å |
| 209 | A | 73 | Confident | 63.1 | Low | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 131.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V88 I89 P158 I193 | V88-A209 WeakPolarHBondContact O-CA 3.29Å; I89-A209 HydrophobicContact CG1-CB 4.36Å; P158-A209 WeakPolarHBondContact CD-O 3.37Å; I193-A209 VanDerWaalsContact O-CB 3.28Å; I193-A209 WeakPolarHBondContact O-CB 3.46Å |
| 210 | M | 76.7 | Confident | 64.7 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 121.1 | 171.8 | 165.4 | -175.7 | -105.7 | 0 | 0 | 108.1 | Q87 V88 R120 T123 L155 L156 Y208 V212 | Q87-M210 CarbonylContact C-O 3.53Å; Q87-M210 WeakPolarHBondContact CA-O 3.26Å; V88-M210 HydrophobicContact CB-CB 4.31Å; V88-M210 PolarHBondContact N-O 2.88Å; V88-M210 PolarHBondContact O-N 3.31Å; R120-M210 HydrophobicContact CB-CE 3.6Å; R120-M210 HydrophobicContact CG-CE 3.7Å; T123-M210 HydrophobicContact CG2-SD 4.26Å; L155-M210 HydrophobicContact CD1-CE 3.4Å; L155-M210 HydrophobicContact CD1-CG 3.53Å; L155-M210 HydrophobicContact CD1-SD 3.59Å; L155-M210 VanDerWaalsContact CD1-SD 3.59Å; L155-M210 HydrophobicContact CD2-CE 3.48Å; L155-M210 VanDerWaalsContact CD2-CE 3.48Å; L155-M210 HydrophobicContact CG-CE 3.58Å; L155-M210 HydrophobicContact CG-CG 4.44Å; L155-M210 HydrophobicContact CG-SD 4.43Å; L156-M210 CarbonylContact O-C 3.59Å; L156-M210 WeakPolarHBondContact O-CA 3.29Å; Y208-M210 HydrophobicContact CE1-CB 3.99Å; M210-V212 HydrophobicContact CG-CG2 4.38Å |
| 211 | T | 74.8 | Confident | 66.3 | Low | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.4 | 177.2 | -54 | 0 | 0 | 0 | 0 | 109.4 | I85 Q87 L156 M213 | I85-T211 HydrophobicContact CG2-CG2 3.62Å; Q87-T211 HydrophobicContact CG-CG2 4.21Å; L156-T211 PolarHBondContact N-O 2.84Å; L156-T211 PolarHBondContact O-N 3.33Å; T211-M213 HydrophobicContact CG2-CG 4.24Å |
| 212 | V | 77.4 | Confident | 68 | Low | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.4 | 173.8 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | V86 C153 R154 L155 M210 I214 F225 | V86-V212 HydrophobicContact CB-CB 4.46Å; V86-V212 PolarHBondContact N-O 3.44Å; V86-V212 PolarHBondContact O-N 3.03Å; C153-V212 WeakPolarHBondContact SG-CG1 3.09Å; R154-V212 CarbonylContact O-C 3.55Å; R154-V212 WeakPolarHBondContact O-CA 3.27Å; L155-V212 HydrophobicContact CD1-CB 4.36Å; L155-V212 HydrophobicContact CD1-CG2 3.53Å; M210-V212 HydrophobicContact CG-CG2 4.38Å; V212-I214 HydrophobicContact CG1-CG1 4.28Å; V212-F225 HydrophobicContact CB-CE1 4.39Å; V212-F225 HydrophobicContact CG1-CE1 3.69Å; V212-F225 HydrophobicContact CG1-CZ 3.92Å |
| 213 | M | 76.3 | Confident | 69.7 | Low | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.6 | 176.9 | -66.9 | -167.7 | -70.6 | 0 | 0 | 110.7 | Y84 I85 C153 R154 T211 F586 L587 | Y84-M213 CarbonylContact O-C 3.6Å; Y84-M213 WeakPolarHBondContact O-CA 3.31Å; I85-M213 HydrophobicContact CD1-CG 4.49Å; I85-M213 HydrophobicContact CD1-SD 4.06Å; I85-M213 HydrophobicContact CG1-CG 4Å; I85-M213 HydrophobicContact CG1-SD 4.18Å; I85-M213 HydrophobicContact CG2-CG 4.31Å; C153-M213 CarbonylContact C-O 3.57Å; R154-M213 PolarHBondContact N-O 2.88Å; R154-M213 PolarHBondContact O-N 3.44Å; T211-M213 HydrophobicContact CG2-CG 4.24Å; M213-F586 HydrophobicContact CE-CB 4.46Å; M213-F586 HydrophobicContact CE-CD1 2.97Å; M213-F586 HydrophobicContact CE-CD2 4.46Å; M213-F586 HydrophobicContact CE-CE1 3.04Å; M213-F586 HydrophobicContact CE-CG 3.74Å; M213-F586 HydrophobicContact CE-CZ 3.86Å; M213-F586 HydrophobicContact SD-CD1 4.26Å; M213-L587 HydrophobicContact SD-CD2 4.15Å; M213-L587 HydrophobicContact SD-CG 4.31Å |
| 214 | I | 75.8 | Confident | 71.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 118.8 | -175.8 | -48.9 | 171.5 | 0 | 0 | 0 | 107.7 | A83 Y84 V212 A217 V222 F225 | A83-I214 CarbonylContact C-O 3.56Å; A83-I214 VanDerWaalsContact CA-O 3.28Å; A83-I214 WeakPolarHBondContact CA-O 3.39Å; Y84-I214 PolarHBondContact N-O 3.48Å; Y84-I214 PolarHBondContact O-N 3.27Å; V212-I214 HydrophobicContact CG1-CG1 4.28Å; I214-A217 HydrophobicContact CB-CB 4.49Å; I214-A217 HydrophobicContact CG2-CB 3.36Å; I214-V222 HydrophobicContact CD1-CG1 4.21Å; I214-V222 HydrophobicContact CD1-CG2 4.24Å; I214-V222 HydrophobicContact CG2-CG2 4.46Å; I214-F225 HydrophobicContact CD1-CB 4.4Å; I214-F225 HydrophobicContact CD1-CD1 3.44Å; I214-F225 VanDerWaalsContact CD1-CD1 3.44Å; I214-F225 HydrophobicContact CD1-CE1 3.87Å; I214-F225 HydrophobicContact CD1-CG 4.06Å |
| 215 | I | 75.4 | Confident | 72.2 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 8% | 0.082 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.1 | -171.8 | -55.3 | 178.4 | 0 | 0 | 0 | 108.2 | A83 P151 T152 A217 L587 V591 | A83-I215 HydrophobicContact CB-CG1 4.11Å; P151-I215 CarbonylContact C-O 3.52Å; P151-I215 VanDerWaalsContact CA-O 3.23Å; P151-I215 WeakPolarHBondContact CA-O 3.32Å; T152-I215 PolarHBondContact N-O 3.27Å; T152-I215 PolarHBondContact O-N 3.01Å; I215-A217 VanDerWaalsContact C-N 3.32Å; I215-A217 PolarHBondContact O-N 2.92Å; I215-L587 HydrophobicContact CD1-CD2 3.97Å; I215-L587 HydrophobicContact CG1-CD2 4.3Å; I215-V591 HydrophobicContact CD1-CB 4.11Å; I215-V591 HydrophobicContact CD1-CG2 3.33Å; I215-V591 HydrophobicContact CG2-CB 4.37Å; I215-V591 HydrophobicContact CG2-CG1 3.65Å; I215-V591 HydrophobicContact CG2-CG2 4.08Å |
| 216 | G | 69.7 | Low | 73.2 | Confident | 57 Ų | 57 | 35.6 Ų | 35.6 | 59% | 0.588 | 19% | 0.192 | S | C | * | . | S | Bend | trans | 73.3 | 18.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 217 | A | 69.3 | Low | 73.7 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | trans | -86.3 | 155.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y84 P151 I214 I215 Q221 V222 | Y84-A217 WeakPolarHBondContact CE2-O 3.23Å; P151-A217 HydrophobicContact CB-CB 3.88Å; I214-A217 HydrophobicContact CB-CB 4.49Å; I214-A217 HydrophobicContact CG2-CB 3.36Å; I215-A217 VanDerWaalsContact C-N 3.32Å; I215-A217 PolarHBondContact O-N 2.92Å; A217-Q221 HydrophobicContact CB-CB 4.26Å; A217-V222 HydrophobicContact CB-CG2 3.66Å | ||
| 218 | T | 70.2 | Confident | 74 | Confident | 65 Ų | 65 | 34.7 Ų | 34.7 | 40% | 0.399 | 20% | 0.199 | S | C | . | . | trans | -83.4 | 157.7 | 169.9 | 62.2 | 0 | 0 | 0 | 0 | 111 | D220 Q221 V222 | T218-D220 PolarHBondContact O-N 3.32Å; T218-Q221 VanDerWaalsContact N-OE1 3.12Å; T218-Q221 WeakPolarHBondContact O-CB 3.49Å; T218-Q221 PolarHBondContact O-N 3.36Å; T218-Q221 VanDerWaalsContact O-N 3.11Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.08Å; T218-V222 WeakPolarHBondContact O-CG2 3.18Å; T218-V222 PolarHBondContact O-N 2.96Å; T218-V222 VanDerWaalsContact O-N 3.12Å | ||
| 219 | A | 71.1 | Confident | 74.2 | Confident | 37 Ų | 37 | 34.7 Ų | 34.7 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -53.5 | -38.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V64 V222 C223 | V64-A219 HydrophobicContact CG1-CB 3.67Å; A219-V222 PolarHBondContact O-N 3.23Å; A219-C223 WeakPolarHBondContact O-CB 3.03Å; A219-C223 PolarHBondContact O-N 2.85Å |
| 220 | D | 69.6 | Low | 74.4 | Confident | 84 Ų | 84 | 36.4 Ų | 36.4 | 45% | 0.449 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.6 | -44.6 | 177.4 | -179.5 | 26.3 | 0 | 0 | 0 | 112.2 | T218 V222 C223 R224 | T218-D220 PolarHBondContact O-N 3.32Å; D220-V222 VanDerWaalsContact C-N 3.25Å; D220-V222 PolarHBondContact O-N 2.78Å; D220-C223 PolarHBondContact O-N 2.85Å; D220-R224 WeakPolarHBondContact O-CG 3.42Å; D220-R224 PolarHBondContact O-N 3.32Å; D220-R224 IonicContact OD1-CZ 3.79Å; D220-R224 IonicContact OD1-NE 3.03Å; D220-R224 PolarHBondContact OD1-NE 3.12Å; D220-R224 IonicContact OD1-NH2 3.7Å; D220-R224 IonicContact OD2-CZ 3.24Å; D220-R224 VanDerWaalsContact OD2-CZ 3.24Å; D220-R224 IonicContact OD2-NE 3.25Å; D220-R224 PolarHBondContact OD2-NE 2.76Å; D220-R224 IonicContact OD2-NH2 2.69Å; D220-R224 PolarHBondContact OD2-NH2 3.48Å |
| 221 | Q | 71.4 | Confident | 74.4 | Confident | 64 Ų | 64 | 39.5 Ų | 39.5 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.2 | -42.4 | 175.5 | -75.2 | 174 | -9.1 | 0 | 0 | 111.5 | C129 A217 T218 R224 F225 | C129-Q221 PolarHBondContact SG-O 3.46Å; A217-Q221 HydrophobicContact CB-CB 4.26Å; T218-Q221 VanDerWaalsContact N-OE1 3.12Å; T218-Q221 WeakPolarHBondContact O-CB 3.49Å; T218-Q221 PolarHBondContact O-N 3.36Å; T218-Q221 VanDerWaalsContact O-N 3.11Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.08Å; Q221-R224 PolarHBondContact O-N 2.77Å; Q221-F225 WeakPolarHBondContact O-CB 3.08Å; Q221-F225 PolarHBondContact O-N 2.99Å |
| 222 | V | 75.5 | Confident | 74.4 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.9 | -37.7 | 179.9 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | Y84 I214 A217 T218 A219 D220 F225 R226 L602 | Y84-V222 HydrophobicContact CD1-CB 4.41Å; Y84-V222 HydrophobicContact CD1-CG1 4.01Å; Y84-V222 HydrophobicContact CD1-CG2 4.2Å; Y84-V222 HydrophobicContact CD2-CB 4.48Å; Y84-V222 HydrophobicContact CD2-CG2 3.46Å; Y84-V222 VanDerWaalsContact CD2-CG2 3.46Å; Y84-V222 HydrophobicContact CE2-CG2 3.8Å; Y84-V222 HydrophobicContact CG-CB 4.26Å; Y84-V222 HydrophobicContact CG-CG1 3.92Å; Y84-V222 HydrophobicContact CG-CG2 3.64Å; I214-V222 HydrophobicContact CD1-CG1 4.21Å; I214-V222 HydrophobicContact CD1-CG2 4.24Å; I214-V222 HydrophobicContact CG2-CG2 4.46Å; A217-V222 HydrophobicContact CB-CG2 3.66Å; T218-V222 WeakPolarHBondContact O-CG2 3.18Å; T218-V222 PolarHBondContact O-N 2.96Å; T218-V222 VanDerWaalsContact O-N 3.12Å; A219-V222 PolarHBondContact O-N 3.23Å; D220-V222 VanDerWaalsContact C-N 3.25Å; D220-V222 PolarHBondContact O-N 2.78Å; V222-F225 PolarHBondContact O-N 2.74Å; V222-R226 WeakPolarHBondContact O-CB 3.49Å; V222-R226 PolarHBondContact O-N 3.22Å; V222-L602 HydrophobicContact CG1-CD1 3.23Å |
| 223 | C | 74.3 | Confident | 74.2 | Confident | 68 Ų | 68 | 40.1 Ų | 40.1 | 46% | 0.459 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.8 | -44 | 174.2 | -168.7 | 0 | 0 | 0 | 0 | 111.6 | A219 D220 F225 R226 T227 | A219-C223 WeakPolarHBondContact O-CB 3.03Å; A219-C223 PolarHBondContact O-N 2.85Å; D220-C223 PolarHBondContact O-N 2.85Å; C223-F225 VanDerWaalsContact C-N 3.31Å; C223-F225 PolarHBondContact O-N 3.39Å; C223-R226 PolarHBondContact O-N 3.08Å; C223-T227 WeakPolarHBondContact O-CG2 3.31Å; C223-T227 PolarHBondContact O-N 3.24Å; C223-T227 PolarHBondContact O-OG1 2.83Å |
| 224 | R | 73.4 | Confident | 73.8 | Confident | 150 Ų | 150 | 43.4 Ų | 43.4 | 57% | 0.566 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61 | -39.9 | 173.1 | -68.1 | 176.3 | -164.7 | -163.7 | 2.2 | 112.2 | D220 Q221 T227 A228 | D220-R224 WeakPolarHBondContact O-CG 3.42Å; D220-R224 PolarHBondContact O-N 3.32Å; D220-R224 IonicContact OD1-CZ 3.79Å; D220-R224 IonicContact OD1-NE 3.03Å; D220-R224 PolarHBondContact OD1-NE 3.12Å; D220-R224 IonicContact OD1-NH2 3.7Å; D220-R224 IonicContact OD2-CZ 3.24Å; D220-R224 VanDerWaalsContact OD2-CZ 3.24Å; D220-R224 IonicContact OD2-NE 3.25Å; D220-R224 PolarHBondContact OD2-NE 2.76Å; D220-R224 IonicContact OD2-NH2 2.69Å; D220-R224 PolarHBondContact OD2-NH2 3.48Å; Q221-R224 PolarHBondContact O-N 2.77Å; R224-T227 VanDerWaalsContact CA-OG1 3.29Å; R224-T227 WeakPolarHBondContact CA-OG1 3.34Å; R224-T227 PolarHBondContact O-OG1 3.37Å; R224-A228 VanDerWaalsContact O-CB 3.28Å; R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 2.07Å |
| 225 | F | 76.6 | Confident | 73.5 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 6% | 0.057 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69 | -40.9 | 176.4 | -177.3 | -102.9 | 0 | 0 | 0 | 112.3 | L126 V212 I214 Q221 V222 C223 A228 L229 | L126-F225 HydrophobicContact CD2-CD2 4.16Å; L126-F225 HydrophobicContact CD2-CE2 3.96Å; V212-F225 HydrophobicContact CB-CE1 4.39Å; V212-F225 HydrophobicContact CG1-CE1 3.69Å; V212-F225 HydrophobicContact CG1-CZ 3.92Å; I214-F225 HydrophobicContact CD1-CB 4.4Å; I214-F225 HydrophobicContact CD1-CD1 3.44Å; I214-F225 VanDerWaalsContact CD1-CD1 3.44Å; I214-F225 HydrophobicContact CD1-CE1 3.87Å; I214-F225 HydrophobicContact CD1-CG 4.06Å; Q221-F225 WeakPolarHBondContact O-CB 3.08Å; Q221-F225 PolarHBondContact O-N 2.99Å; V222-F225 PolarHBondContact O-N 2.74Å; C223-F225 VanDerWaalsContact C-N 3.31Å; C223-F225 PolarHBondContact O-N 3.39Å; F225-A228 PolarHBondContact O-N 3.07Å; F225-L229 HydrophobicContact CD1-CD1 3.6Å; F225-L229 HydrophobicContact CD1-CG 4.33Å; F225-L229 HydrophobicContact CE1-CD1 3.2Å; F225-L229 HydrophobicContact CE1-CG 3.95Å; F225-L229 HydrophobicContact CZ-CD1 3.82Å; F225-L229 HydrophobicContact CZ-CG 4.12Å; F225-L229 WeakPolarHBondContact O-CB 3.14Å; F225-L229 PolarHBondContact O-N 3.25Å |
| 226 | R | 77 | Confident | 73.3 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 23% | 0.226 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 175.4 | -175.1 | 179.8 | 178.9 | -158.8 | -5 | 111.3 | V222 C223 A228 L229 T230 D248 P603 | V222-R226 WeakPolarHBondContact O-CB 3.49Å; V222-R226 PolarHBondContact O-N 3.22Å; C223-R226 PolarHBondContact O-N 3.08Å; R226-A228 VanDerWaalsContact C-N 3.32Å; R226-A228 PolarHBondContact O-N 2.92Å; R226-L229 WeakPolarHBondContact O-CB 3.43Å; R226-L229 PolarHBondContact O-N 3.08Å; R226-T230 WeakPolarHBondContact O-CG2 3.43Å; R226-T230 PolarHBondContact O-N 3.21Å; R226-T230 PolarHBondContact O-OG1 3.22Å; R226-D248 IonicContact NH2-OD1 3.9Å; R226-P603 VanDerWaalsContact NH2-CG 3.33Å |
| 227 | T | 76.1 | Confident | 73.2 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 175.4 | 49 | 0 | 0 | 0 | 0 | 112.1 | C223 R224 T230 S231 | C223-T227 WeakPolarHBondContact O-CG2 3.31Å; C223-T227 PolarHBondContact O-N 3.24Å; C223-T227 PolarHBondContact O-OG1 2.83Å; R224-T227 VanDerWaalsContact CA-OG1 3.29Å; R224-T227 WeakPolarHBondContact CA-OG1 3.34Å; R224-T227 PolarHBondContact O-OG1 3.37Å; T227-T230 WeakPolarHBondContact CA-OG1 2.92Å; T227-T230 PolarHBondContact O-N 3.19Å; T227-T230 PolarHBondContact O-OG1 3.25Å; T227-S231 PolarHBondContact O-N 2.93Å |
| 228 | A | 75.4 | Confident | 73.6 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | L126 R224 F225 R226 S231 | L126-A228 HydrophobicContact CD1-CB 4.12Å; L126-A228 HydrophobicContact CD2-CB 3.43Å; L126-A228 VanDerWaalsContact CD2-CB 3.43Å; L126-A228 HydrophobicContact CG-CB 3.81Å; R224-A228 VanDerWaalsContact O-CB 3.28Å; R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 2.07Å; F225-A228 PolarHBondContact O-N 3.07Å; R226-A228 VanDerWaalsContact C-N 3.32Å; R226-A228 PolarHBondContact O-N 2.92Å; A228-S231 WeakPolarHBondContact O-CB 3.11Å; A228-S231 PolarHBondContact O-N 3.41Å; A228-S231 PolarHBondContact O-OG 3.29Å |
| 229 | L | 78.5 | Confident | 74 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 173.5 | -87.5 | 167.3 | 0 | 0 | 0 | 112.4 | V86 V88 T123 L126 F225 R226 S231 L232 | V86-L229 HydrophobicContact CG1-CD1 3.96Å; V88-L229 HydrophobicContact CG2-CD1 4.49Å; V88-L229 HydrophobicContact CG2-CD2 3.98Å; T123-L229 HydrophobicContact CG2-CD2 3.56Å; L126-L229 HydrophobicContact CD2-CG 4.33Å; F225-L229 HydrophobicContact CD1-CD1 3.6Å; F225-L229 HydrophobicContact CD1-CG 4.33Å; F225-L229 HydrophobicContact CE1-CD1 3.2Å; F225-L229 HydrophobicContact CE1-CG 3.95Å; F225-L229 HydrophobicContact CZ-CD1 3.82Å; F225-L229 HydrophobicContact CZ-CG 4.12Å; F225-L229 WeakPolarHBondContact O-CB 3.14Å; F225-L229 PolarHBondContact O-N 3.25Å; R226-L229 WeakPolarHBondContact O-CB 3.43Å; R226-L229 PolarHBondContact O-N 3.08Å; L229-S231 VanDerWaalsContact C-N 3.29Å; L229-S231 PolarHBondContact O-N 3.29Å; L229-L232 WeakPolarHBondContact O-CB 3.46Å; L229-L232 PolarHBondContact O-N 2.81Å; L229-L232 VanDerWaalsContact O-N 3.12Å |
| 230 | T | 77.1 | Confident | 74.1 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.8 | -32.4 | 176.4 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | R226 T227 L232 G233 V605 | R226-T230 WeakPolarHBondContact O-CG2 3.43Å; R226-T230 PolarHBondContact O-N 3.21Å; R226-T230 PolarHBondContact O-OG1 3.22Å; T227-T230 WeakPolarHBondContact CA-OG1 2.92Å; T227-T230 PolarHBondContact O-N 3.19Å; T227-T230 PolarHBondContact O-OG1 3.25Å; T230-L232 PolarHBondContact O-N 3.35Å; T230-L232 VanDerWaalsContact O-N 3.14Å; T230-G233 PolarHBondContact O-N 3.26Å; T230-G233 VanDerWaalsContact O-N 3.11Å; T230-V605 HydrophobicContact CG2-CG1 4.1Å; T230-V605 HydrophobicContact CG2-CG2 4.03Å |
| 231 | S | 77.7 | Confident | 74.1 | Confident | 65 Ų | 65 | 62 Ų | 62 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.9 | -22.9 | 172.9 | 85.4 | 0 | 0 | 0 | 0 | 113.3 | T227 A228 L229 G233 G234 | T227-S231 PolarHBondContact O-N 2.93Å; A228-S231 WeakPolarHBondContact O-CB 3.11Å; A228-S231 PolarHBondContact O-N 3.41Å; A228-S231 PolarHBondContact O-OG 3.29Å; L229-S231 VanDerWaalsContact C-N 3.29Å; L229-S231 PolarHBondContact O-N 3.29Å; S231-G233 VanDerWaalsContact C-N 3.26Å; S231-G233 PolarHBondContact O-N 2.95Å; S231-G234 PolarHBondContact O-N 3.48Å |
| 232 | L | 75.4 | Confident | 73.7 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -68.1 | -27.5 | 178.6 | -146.5 | 69 | 0 | 0 | 0 | 112.5 | L119 R122 T123 L126 L229 T230 G234 K235 | L119-L232 HydrophobicContact CD1-CD2 3.43Å; L119-L232 VanDerWaalsContact CD1-CD2 3.43Å; L119-L232 HydrophobicContact CD1-CG 4.23Å; L119-L232 HydrophobicContact CG-CD2 4.34Å; R122-L232 HydrophobicContact CB-CD1 3.73Å; R122-L232 HydrophobicContact CB-CD2 3.82Å; R122-L232 HydrophobicContact CB-CG 4.18Å; R122-L232 HydrophobicContact CG-CD1 4.48Å; T123-L232 HydrophobicContact CG2-CD2 3.69Å; L126-L232 HydrophobicContact CD1-CD1 4.45Å; L229-L232 WeakPolarHBondContact O-CB 3.46Å; L229-L232 PolarHBondContact O-N 2.81Å; L229-L232 VanDerWaalsContact O-N 3.12Å; T230-L232 PolarHBondContact O-N 3.35Å; T230-L232 VanDerWaalsContact O-N 3.14Å; L232-G234 VanDerWaalsContact C-N 3.26Å; L232-G234 PolarHBondContact O-N 2.8Å; L232-K235 PolarHBondContact O-N 2.9Å |
| 233 | G | 71.4 | Confident | 72.7 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 5% | 0.052 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -75.8 | -5.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T230 S231 F238 T239 R240 L607 | T230-G233 PolarHBondContact O-N 3.26Å; T230-G233 VanDerWaalsContact O-N 3.11Å; S231-G233 VanDerWaalsContact C-N 3.26Å; S231-G233 PolarHBondContact O-N 2.95Å; G233-F238 CarbonylContact O-C 3.55Å; G233-T239 CarbonylContact O-C 3.47Å; G233-T239 VanDerWaalsContact O-CA 3.31Å; G233-T239 WeakPolarHBondContact O-CA 3.36Å; G233-R240 PolarHBondContact O-N 3.12Å; G233-L607 VanDerWaalsContact CA-CD2 3.48Å |
| 234 | G | 69.1 | Low | 71.3 | Confident | 71 Ų | 71 | 77.1 Ų | 77.1 | 73% | 0.732 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -88.5 | -6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S231 L232 | S231-G234 PolarHBondContact O-N 3.48Å; L232-G234 VanDerWaalsContact C-N 3.26Å; L232-G234 PolarHBondContact O-N 2.8Å |
| 235 | K | 70.3 | Confident | 70 | Confident | 132 Ų | 132 | 77.7 Ų | 77.7 | 57% | 0.574 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -112.9 | 120.4 | -176.4 | -65.8 | -178.8 | -178.7 | 177.5 | 0 | 110 | R122 L232 F238 | R122-K235 PolarHBondContact NH1-O 2.86Å; L232-K235 PolarHBondContact O-N 2.9Å; K235-F238 PolarHBondContact O-N 2.99Å |
| 236 | Q | 69.6 | Low | 68.7 | Low | 166 Ų | 166 | 83.4 Ų | 83.4 | 78% | 0.776 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | 141.7 | 173.4 | -74.5 | -170.1 | -13.6 | 0 | 0 | 111.7 | R122 | R122-Q236 PolarHBondContact NH1-O 3.07Å; R122-Q236 PolarHBondContact NH2-O 3.13Å |
| 237 | P | 67.6 | Low | 67.4 | Low | 42 Ų | 42 | 87.8 Ų | 87.8 | 27% | 0.273 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -87.6 | 9.1 | 7.7 | 36.2 | -37.1 | 0 | 0 | 0 | 115.4 | ||
| 238 | F | 79.1 | Confident | 66.6 | Low | 3 Ų | 3 | 89.4 Ų | 89.4 | 1% | 0.013 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136.4 | -178.4 | -54.3 | -80.8 | 0 | 0 | 0 | 110.7 | V90 A115 L119 G233 K235 L607 A608 V609 | V90-F238 HydrophobicContact CG1-CE1 4.34Å; A115-F238 WeakPolarHBondContact O-CZ 3.38Å; L119-F238 HydrophobicContact CB-CE1 3.98Å; L119-F238 HydrophobicContact CB-CE2 4.16Å; L119-F238 HydrophobicContact CB-CZ 3.56Å; L119-F238 HydrophobicContact CD1-CD1 4.1Å; L119-F238 HydrophobicContact CD1-CD2 4.09Å; L119-F238 HydrophobicContact CD1-CE1 3.93Å; L119-F238 HydrophobicContact CD1-CE2 3.93Å; L119-F238 HydrophobicContact CD1-CG 4.19Å; L119-F238 HydrophobicContact CD1-CZ 3.87Å; L119-F238 HydrophobicContact CD2-CE1 4.31Å; L119-F238 HydrophobicContact CG-CE1 4.31Å; L119-F238 HydrophobicContact CG-CZ 4.24Å; G233-F238 CarbonylContact O-C 3.55Å; K235-F238 PolarHBondContact O-N 2.99Å; F238-L607 HydrophobicContact CD1-CB 4.4Å; F238-L607 HydrophobicContact CD1-CD1 4.39Å; F238-A608 CarbonylContact C-O 3.59Å; F238-A608 WeakPolarHBondContact CA-O 3.14Å; F238-V609 HydrophobicContact CD1-CG2 3.31Å; F238-V609 HydrophobicContact CE1-CG2 3.26Å; F238-V609 HydrophobicContact CG-CG2 4.41Å; F238-V609 HydrophobicContact CZ-CG2 4.33Å |
| 239 | T | 77.1 | Confident | 66.1 | Low | 57 Ų | 57 | 89.1 Ų | 89.1 | 35% | 0.35 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 150.6 | 166.8 | 55 | 0 | 0 | 0 | 0 | 109 | G233 W241 L607 A608 | G233-T239 CarbonylContact O-C 3.47Å; G233-T239 VanDerWaalsContact O-CA 3.31Å; G233-T239 WeakPolarHBondContact O-CA 3.36Å; T239-W241 PolarHBondContact O-N 2.76Å; T239-L607 CarbonylContact O-C 3.57Å; T239-L607 WeakPolarHBondContact O-CA 3.19Å; T239-A608 PolarHBondContact N-O 2.74Å; T239-A608 PolarHBondContact O-N 2.97Å; T239-A608 WeakPolarHBondContact OG1-CB 3.46Å; T239-A608 PolarHBondContact OG1-O 2.8Å |
| 240 | R | 73.4 | Confident | 65.6 | Low | 164 Ų | 164 | 89.3 Ų | 89.3 | 62% | 0.619 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 131.4 | 172 | -169.4 | 174.8 | -176.4 | 168.3 | -3.3 | 108.9 | G233 | G233-R240 PolarHBondContact O-N 3.12Å |
| 241 | W | 70 | Confident | 65.4 | Low | 90 Ų | 90 | 88.7 Ų | 88.7 | 34% | 0.341 | 45% | 0.452 | S | S | . | . | trans | -100.1 | 112.5 | 176.5 | -177.3 | -88.5 | 0 | 0 | 0 | 109.2 | H91 T93 T239 M243 H606 A608 | H91-W241 AromaticContact CD2-CD1 3.74Å; H91-W241 AromaticContact CD2-CG 3.9Å; T93-W241 HydrophobicContact CG2-CE3 3.89Å; T93-W241 HydrophobicContact CG2-CH2 4.03Å; T93-W241 HydrophobicContact CG2-CZ3 3.22Å; T239-W241 PolarHBondContact O-N 2.76Å; W241-M243 HydrophobicContact CZ2-CE 4Å; W241-H606 HydrophobicContact CB-CB 4.05Å; W241-H606 PolarHBondContact N-O 3.1Å; W241-A608 HydrophobicContact CB-CB 4.06Å; W241-A608 HydrophobicContact CD2-CB 4.25Å; W241-A608 HydrophobicContact CE3-CB 3.54Å; W241-A608 HydrophobicContact CZ3-CB 4.35Å | ||
| 242 | E | 62.5 | Low | 65.3 | Low | 161 Ų | 161 | 85.7 Ų | 85.7 | 75% | 0.752 | 43% | 0.431 | S | S | * | . | trans | -91.6 | 104.4 | 177.7 | -69 | 177.4 | 177.5 | 0 | 0 | 108.9 | ||||
| 243 | M | 56 | Low | 65.2 | Low | 106 Ų | 106 | 85.2 Ų | 85.2 | 52% | 0.522 | 43% | 0.429 | S | S | . | . | trans | -77.5 | 132 | 169.6 | -88.1 | -87.6 | 145.9 | 0 | 0 | 109.2 | W241 N245 | W241-M243 HydrophobicContact CZ2-CE 4Å; M243-N245 PolarHBondContact O-N 3.19Å | ||
| 244 | Q | 44.2 | Very low | 65.3 | Low | 184 Ų | 184 | 86.8 Ų | 86.8 | 86% | 0.86 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -75.9 | -5.3 | -168.1 | -94.5 | -177 | -15.2 | 0 | 0 | 116.3 | ||
| 245 | N | 44.9 | Very low | 65.4 | Low | 162 Ų | 162 | 83.4 Ų | 83.4 | 87% | 0.866 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -157.9 | 24.5 | -173.1 | -89.6 | -31 | 0 | 0 | 0 | 116.6 | M243 | M243-N245 PolarHBondContact O-N 3.19Š|
| 246 | E | 50.2 | Low | 64.9 | Low | 133 Ų | 133 | 83 Ų | 83 | 62% | 0.621 | 40% | 0.397 | S | S | * | . | trans | -90 | 117 | 171.7 | -81.2 | -172.8 | 160.4 | 0 | 0 | 111 | D248 H606 | E246-D248 PolarHBondContact O-N 2.78Å; E246-D248 VanDerWaalsContact O-N 3.08Å; E246-H606 IonicContact OE2-NE2 2.8Å | ||
| 247 | E | 50.4 | Low | 64.4 | Low | 153 Ų | 153 | 79.4 Ų | 79.4 | 72% | 0.715 | 38% | 0.382 | S | S | * | . | trans | -54.8 | 112.2 | 166.9 | -70.8 | 176.7 | 167.2 | 0 | 0 | 109.7 | K60 G249 | K60-E247 VanDerWaalsContact NZ-CB 3.34Å; K60-E247 PolarHBondContact NZ-O 3.17Å; K60-E247 IonicContact NZ-OE2 2.65Å; K60-E247 PolarHBondContact NZ-OE2 2.99Å; E247-G249 PolarHBondContact O-N 3.09Å | ||
| 248 | D | 58.6 | Low | 63.6 | Low | 112 Ų | 112 | 82 Ų | 82 | 60% | 0.599 | 39% | 0.389 | S | S | * | . | trans | -65.7 | 49.6 | -179.3 | -116.9 | -22.1 | 0 | 0 | 0 | 112.8 | R226 E246 P603 | R226-D248 IonicContact NH2-OD1 3.9Å; E246-D248 PolarHBondContact O-N 2.78Å; E246-D248 VanDerWaalsContact O-N 3.08Å; D248-P603 WeakPolarHBondContact OD1-CB 3.15Å | ||
| 249 | G | 64.4 | Low | 62.5 | Low | 17 Ų | 17 | 85.7 Ų | 85.7 | 18% | 0.175 | 40% | 0.403 | C | S | . | . | trans | -82.3 | 125.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T61 E247 | T61-G249 CarbonylContact O-C 3.59Å; T61-G249 VanDerWaalsContact O-CA 3.26Å; T61-G249 WeakPolarHBondContact O-CA 3.49Å; E247-G249 PolarHBondContact O-N 3.09Å | ||
| 250 | I | 69.3 | Low | 61.5 | Low | 6 Ų | 6 | 86.2 Ų | 86.2 | 3% | 0.031 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 124.8 | 165.6 | -62.2 | 161.6 | 0 | 0 | 0 | 107.7 | K60 T61 V64 T600 L602 P603 | K60-I250 CarbonylContact C-O 3.55Å; K60-I250 WeakPolarHBondContact CA-O 3.24Å; T61-I250 PolarHBondContact N-O 3.35Å; T61-I250 PolarHBondContact O-N 3.48Å; T61-I250 PolarHBondContact OG1-O 3.06Å; V64-I250 HydrophobicContact CB-CD1 4.23Å; V64-I250 HydrophobicContact CG2-CD1 3.52Å; I250-T600 HydrophobicContact CG2-CG2 3.41Å; I250-T600 VanDerWaalsContact CG2-CG2 3.41Å; I250-L602 HydrophobicContact CD1-CD2 4.32Å; I250-L602 HydrophobicContact CG1-CD2 4.07Å; I250-L602 HydrophobicContact CG2-CD2 4.27Å; I250-P603 HydrophobicContact CG1-CG 4.4Å |
| 251 | L | 72.8 | Confident | 60.8 | Low | 23 Ų | 23 | 89 Ų | 89 | 12% | 0.12 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 110.9 | -178.5 | 173.6 | 72.9 | 0 | 0 | 0 | 109.4 | L58 I253 Y580 V601 | L58-L251 HydrophobicContact CB-CD1 3.9Å; L58-L251 HydrophobicContact CD2-CD1 4.04Å; L58-L251 HydrophobicContact CD2-CD2 4.44Å; L58-L251 HydrophobicContact CG-CD1 4.27Å; L251-I253 HydrophobicContact CD2-CD1 4.03Å; L251-I253 HydrophobicContact CD2-CG1 4.01Å; L251-I253 HydrophobicContact CG-CD1 4.47Å; L251-I253 HydrophobicContact CG-CG1 3.95Å; L251-Y580 HydrophobicContact CD2-CE1 3.6Å; L251-Y580 HydrophobicContact CD2-CE2 4.19Å; L251-Y580 VanDerWaalsContact CD2-CZ 3.4Å; L251-Y580 WeakPolarHBondContact CD2-OH 3.45Å; L251-V601 HydrophobicContact CB-CB 4.12Å; L251-V601 HydrophobicContact CD2-CB 4.46Å; L251-V601 PolarHBondContact N-O 2.96Å; L251-V601 WeakPolarHBondContact O-CB 3.3Å; L251-V601 PolarHBondContact O-N 2.82Å |
| 252 | H | 74.8 | Confident | 60.2 | Low | 2 Ų | 2 | 92.2 Ų | 92.2 | 1% | 0.009 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 120.8 | 170.3 | -59.2 | -84.3 | 0 | 0 | 0 | 109.3 | V59 T61 L76 F598 T600 | V59-H252 HydrophobicContact CB-CB 4.43Å; V59-H252 PolarHBondContact N-O 3.38Å; V59-H252 PolarHBondContact O-N 2.85Å; T61-H252 PolarHBondContact OG1-CD2 3.43Å; T61-H252 VanDerWaalsContact OG1-CD2 3.24Å; T61-H252 PolarHBondContact OG1-NE2 2.86Å; L76-H252 HydrophobicContact CD1-CB 4.23Å; H252-F598 AromaticContact ND1-CD2 3.98Å; H252-F598 AromaticContact ND1-CE2 3.91Å; H252-T600 VanDerWaalsContact CE1-CG2 3.4Å; H252-T600 WeakPolarHBondContact CE1-CG2 3Å; H252-T600 WeakPolarHBondContact ND1-CG2 3.32Å; H252-T600 PolarHBondContact ND1-OG1 2.5Å |
| 253 | I | 74.1 | Confident | 60.1 | Low | 0 Ų | 0 | 88.8 Ų | 88.8 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 108.4 | 179.7 | -56.5 | 175.2 | 0 | 0 | 0 | 107.7 | P55 L251 Y255 Y580 W583 F598 V599 V601 | P55-I253 HydrophobicContact CB-CG2 3.64Å; L251-I253 HydrophobicContact CD2-CD1 4.03Å; L251-I253 HydrophobicContact CD2-CG1 4.01Å; L251-I253 HydrophobicContact CG-CD1 4.47Å; L251-I253 HydrophobicContact CG-CG1 3.95Å; I253-Y255 HydrophobicContact CB-CE2 4.3Å; I253-Y255 HydrophobicContact CG2-CD2 4.3Å; I253-Y255 HydrophobicContact CG2-CE1 4.14Å; I253-Y255 HydrophobicContact CG2-CE2 3.75Å; I253-Y580 HydrophobicContact CD1-CD1 3.42Å; I253-Y580 VanDerWaalsContact CD1-CD1 3.42Å; I253-Y580 HydrophobicContact CD1-CD2 4.4Å; I253-Y580 HydrophobicContact CD1-CE1 3.93Å; I253-Y580 HydrophobicContact CD1-CG 3.69Å; I253-W583 HydrophobicContact CD1-CE3 4.23Å; I253-W583 HydrophobicContact CD1-CZ3 4.25Å; I253-F598 CarbonylContact O-C 3.6Å; I253-F598 WeakPolarHBondContact O-CA 3.18Å; I253-F598 VanDerWaalsContact O-CB 3.31Å; I253-F598 WeakPolarHBondContact O-CB 3.13Å; I253-V599 PolarHBondContact N-O 2.9Å; I253-V599 PolarHBondContact O-N 3.4Å; I253-V601 HydrophobicContact CD1-CG2 3.64Å; I253-V601 HydrophobicContact CG1-CG2 4.25Å |
| 254 | Y | 73.5 | Confident | 60.7 | Low | 39 Ų | 39 | 86.9 Ų | 86.9 | 15% | 0.153 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 125.3 | 174.1 | -175.2 | -109.3 | 0 | 0 | 0 | 111.1 | C56 V57 W75 K256 G596 F598 | C56-Y254 PolarHBondContact N-O 3.36Å; C56-Y254 VanDerWaalsContact N-O 3.09Å; V57-Y254 PolarHBondContact O-N 3.21Å; W75-Y254 HydrophobicContact CB-CD2 4.25Å; W75-Y254 HydrophobicContact CB-CE2 3.78Å; W75-Y254 HydrophobicContact CD2-CD1 4.45Å; W75-Y254 AromaticContact CD2-CD2 3.55Å; W75-Y254 HydrophobicContact CD2-CD2 3.55Å; W75-Y254 HydrophobicContact CD2-CE2 4Å; W75-Y254 AromaticContact CD2-CG 3.81Å; W75-Y254 HydrophobicContact CD2-CG 3.81Å; W75-Y254 AromaticContact CE2-CG 3.95Å; W75-Y254 AromaticContact CE3-CD2 3.5Å; W75-Y254 HydrophobicContact CE3-CD2 3.5Å; W75-Y254 HydrophobicContact CE3-CE2 4.23Å; W75-Y254 AromaticContact CE3-CG 3.95Å; W75-Y254 HydrophobicContact CE3-CG 3.95Å; W75-Y254 AromaticContact CG-CD2 3.89Å; W75-Y254 HydrophobicContact CG-CD2 3.89Å; W75-Y254 AromaticContact CG-CE2 3.82Å; W75-Y254 HydrophobicContact CG-CE2 3.82Å; W75-Y254 HydrophobicContact CG-CG 4.32Å; W75-Y254 HydrophobicContact CH2-CG 4.37Å; W75-Y254 HydrophobicContact CZ2-CG 4.22Å; W75-Y254 HydrophobicContact CZ3-CD2 4.11Å; W75-Y254 HydrophobicContact CZ3-CG 4.24Å; Y254-K256 HydrophobicContact CD1-CB 4.11Å; Y254-K256 HydrophobicContact CE1-CB 3.83Å; Y254-K256 HydrophobicContact CE1-CG 4.14Å; Y254-G596 WeakPolarHBondContact CE2-O 3.5Å; Y254-F598 HydrophobicContact CD2-CB 4.07Å |
| 255 | Y | 70.3 | Confident | 61.7 | Low | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -97.2 | 90.8 | 175.8 | -63.6 | -85.3 | 0 | 0 | 0 | 109 | P53 P55 I253 I257 Y580 A584 V594 G596 R597 V599 | P53-Y255 HydrophobicContact CB-CD1 3.65Å; P53-Y255 HydrophobicContact CB-CE1 4.36Å; P53-Y255 HydrophobicContact CB-CG 4.06Å; P55-Y255 HydrophobicContact CB-CD1 4.28Å; P55-Y255 HydrophobicContact CB-CE1 3.99Å; P55-Y255 HydrophobicContact CG-CE1 4.47Å; I253-Y255 HydrophobicContact CB-CE2 4.3Å; I253-Y255 HydrophobicContact CG2-CD2 4.3Å; I253-Y255 HydrophobicContact CG2-CE1 4.14Å; I253-Y255 HydrophobicContact CG2-CE2 3.75Å; Y255-I257 PolarHBondContact O-N 2.9Å; Y255-Y580 PolarHBondContact OH-O 3.3Å; Y255-A584 HydrophobicContact CD1-CB 4.23Å; Y255-A584 HydrophobicContact CE1-CB 3.41Å; Y255-A584 VanDerWaalsContact CE1-CB 3.41Å; Y255-V594 HydrophobicContact CD2-CG1 3.2Å; Y255-V594 HydrophobicContact CE2-CG1 3.58Å; Y255-V594 HydrophobicContact CG-CG1 3.73Å; Y255-G596 WeakPolarHBondContact O-CA 3.49Å; Y255-G596 PolarHBondContact O-N 2.98Å; Y255-R597 PolarHBondContact N-O 3.24Å; Y255-V599 HydrophobicContact CD2-CG2 4.29Å; Y255-V599 HydrophobicContact CE2-CB 3.99Å; Y255-V599 HydrophobicContact CE2-CG2 3.64Å | ||
| 256 | K | 60.1 | Low | 62.7 | Low | 124 Ų | 124 | 79.8 Ų | 79.8 | 54% | 0.539 | 37% | 0.374 | S | S | . | . | trans | -64.5 | 134.8 | 177.4 | -167 | 172.3 | -178.1 | 173.5 | 0 | 109.9 | C56 Y254 K258 | C56-K256 HydrophobicContact CB-CB 3.94Å; Y254-K256 HydrophobicContact CD1-CB 4.11Å; Y254-K256 HydrophobicContact CE1-CB 3.83Å; Y254-K256 HydrophobicContact CE1-CG 4.14Å; K256-K258 PolarHBondContact O-N 3.14Å | ||
| 257 | I | 58.2 | Low | 63.5 | Low | 90 Ų | 90 | 74.3 Ų | 74.3 | 46% | 0.462 | 35% | 0.349 | S | S | . | . | trans | -63.2 | 102.3 | 162.5 | -67.2 | 158.7 | 0 | 0 | 0 | 105.6 | Y255 R259 N595 | Y255-I257 PolarHBondContact O-N 2.9Å; I257-R259 WeakPolarHBondContact CG2-O 3.23Å; I257-R259 PolarHBondContact O-N 3.5Å; I257-N595 HydrophobicContact CG1-CB 3.89Å | ||
| 258 | K | 52.2 | Low | 64.3 | Low | 96 Ų | 96 | 71 Ų | 71 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | trans | -59.6 | -30.8 | -175 | -94.5 | -171.6 | 170.4 | 178 | 0 | 112.4 | S54 K256 Y570 | S54-K258 VanDerWaalsContact OG-CD 3.24Å; S54-K258 WeakPolarHBondContact OG-CD 3.34Å; S54-K258 WeakPolarHBondContact OG-CE 3.4Å; K256-K258 PolarHBondContact O-N 3.14Å; K258-Y570 WeakPolarHBondContact CE-OH 3.31Å; K258-Y570 PolarHBondContact NZ-OH 2.93Å; K258-Y570 VanDerWaalsContact NZ-OH 3.07Å | ||
| 259 | R | 55 | Low | 64.8 | Low | 80 Ų | 80 | 68.9 Ų | 68.9 | 30% | 0.302 | 33% | 0.33 | S | S | . | . | trans | -150.3 | 133.8 | -176 | -65.2 | -173 | 177.7 | 146.3 | -11.3 | 113.3 | I257 D263 Y264 E326 | I257-R259 WeakPolarHBondContact CG2-O 3.23Å; I257-R259 PolarHBondContact O-N 3.5Å; R259-D263 VanDerWaalsContact CA-OD2 3.22Å; R259-D263 WeakPolarHBondContact CA-OD2 3.35Å; R259-D263 HydrophobicContact CB-CB 4.35Å; R259-Y264 HydrophobicContact CB-CE2 3.89Å; R259-E326 IonicContact CZ-OE1 2.83Å; R259-E326 IonicContact CZ-OE2 2.67Å; R259-E326 IonicContact NE-OE1 3.67Å; R259-E326 PolarHBondContact NE-OE1 3.22Å; R259-E326 IonicContact NH1-OE1 3.24Å; R259-E326 PolarHBondContact NH1-OE1 3.16Å; R259-E326 IonicContact NH1-OE2 3.56Å; R259-E326 PolarHBondContact NH1-OE2 3.36Å; R259-E326 IonicContact NH2-OE1 3.98Å; R259-E326 PolarHBondContact NH2-OE1 3.11Å; R259-E326 IonicContact NH2-OE2 3.48Å; R259-E326 PolarHBondContact NH2-OE2 3.25Å | ||
| 260 | T | 56.2 | Low | 64.8 | Low | 68 Ų | 68 | 68.6 Ų | 68.6 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | trans | -92.2 | 163.2 | 172.3 | 63 | 0 | 0 | 0 | 0 | 110.3 | F262 D263 Y264 | T260-F262 PolarHBondContact O-N 3.25Å; T260-D263 PolarHBondContact N-OD2 3.44Å; T260-D263 PolarHBondContact O-N 2.92Å; T260-D263 PolarHBondContact OG1-OD2 3.48Å; T260-Y264 WeakPolarHBondContact O-CD2 3.4Å | ||
| 261 | W | 58.3 | Low | 64.8 | Low | 222 Ų | 222 | 71.4 Ų | 71.4 | 84% | 0.841 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -26 | 173.4 | -79.4 | 89.1 | 0 | 0 | 0 | 112.9 | Y264 I265 | W261-Y264 PolarHBondContact O-N 3.46Å; W261-I265 PolarHBondContact O-N 3.46Å |
| 262 | F | 57.7 | Low | 64.8 | Low | 159 Ų | 159 | 74.3 Ų | 74.3 | 70% | 0.697 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -36.3 | 176.7 | -71 | -80.8 | 0 | 0 | 0 | 113.1 | T260 Y264 I265 | T260-F262 PolarHBondContact O-N 3.25Å; F262-Y264 PolarHBondContact O-N 3.41Å; F262-I265 HydrophobicContact CB-CD1 4.36Å; F262-I265 HydrophobicContact CD1-CD1 3.48Å; F262-I265 VanDerWaalsContact CD1-CD1 3.48Å; F262-I265 HydrophobicContact CE1-CD1 4.12Å; F262-I265 HydrophobicContact CG-CD1 4.26Å; F262-I265 WeakPolarHBondContact O-CB 3.37Å; F262-I265 PolarHBondContact O-N 2.94Å |
| 263 | D | 61.5 | Low | 64.6 | Low | 88 Ų | 88 | 79.6 Ų | 79.6 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.3 | -28.3 | 177.4 | -57.2 | -39.7 | 0 | 0 | 0 | 111.3 | R259 T260 | R259-D263 VanDerWaalsContact CA-OD2 3.22Å; R259-D263 WeakPolarHBondContact CA-OD2 3.35Å; R259-D263 HydrophobicContact CB-CB 4.35Å; T260-D263 PolarHBondContact N-OD2 3.44Å; T260-D263 PolarHBondContact O-N 2.92Å; T260-D263 PolarHBondContact OG1-OD2 3.48Å |
| 264 | Y | 67.1 | Low | 64.3 | Low | 66 Ų | 66 | 80.8 Ų | 80.8 | 26% | 0.259 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -82.7 | -7.2 | 176.5 | -61.5 | -70.9 | 0 | 0 | 0 | 113.6 | R259 T260 W261 F262 L267 V268 V325 | R259-Y264 HydrophobicContact CB-CE2 3.89Å; T260-Y264 WeakPolarHBondContact O-CD2 3.4Å; W261-Y264 PolarHBondContact O-N 3.46Å; F262-Y264 PolarHBondContact O-N 3.41Å; Y264-L267 HydrophobicContact CD1-CD2 3.76Å; Y264-L267 HydrophobicContact CE1-CD2 4.39Å; Y264-L267 WeakPolarHBondContact O-CB 3.41Å; Y264-L267 PolarHBondContact O-N 2.7Å; Y264-V268 WeakPolarHBondContact O-CB 3.12Å; Y264-V268 VanDerWaalsContact O-CG2 3.27Å; Y264-V268 WeakPolarHBondContact O-CG2 3.22Å; Y264-V268 PolarHBondContact O-N 3.3Å; Y264-V325 HydrophobicContact CD1-CG1 4.32Å; Y264-V325 HydrophobicContact CE1-CG1 3.68Å |
| 265 | I | 65.6 | Low | 64.2 | Low | 84 Ų | 84 | 82.8 Ų | 82.8 | 43% | 0.431 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 179.6 | -68.4 | 174.1 | 0 | 0 | 0 | 110.7 | W261 F262 L267 V268 V269 | W261-I265 PolarHBondContact O-N 3.46Å; F262-I265 HydrophobicContact CB-CD1 4.36Å; F262-I265 HydrophobicContact CD1-CD1 3.48Å; F262-I265 VanDerWaalsContact CD1-CD1 3.48Å; F262-I265 HydrophobicContact CE1-CD1 4.12Å; F262-I265 HydrophobicContact CG-CD1 4.26Å; F262-I265 WeakPolarHBondContact O-CB 3.37Å; F262-I265 PolarHBondContact O-N 2.94Å; I265-L267 VanDerWaalsContact C-N 3.25Å; I265-L267 PolarHBondContact O-N 3.41Å; I265-V268 PolarHBondContact O-N 3.23Å; I265-V268 VanDerWaalsContact O-N 3.17Å; I265-V269 HydrophobicContact CG2-CG2 4.23Å; I265-V269 WeakPolarHBondContact O-CB 3.39Å; I265-V269 VanDerWaalsContact O-CG2 3.25Å; I265-V269 WeakPolarHBondContact O-CG2 3.33Å; I265-V269 PolarHBondContact O-N 3.31Å |
| 266 | L | 65.5 | Low | 64.2 | Low | 114 Ų | 114 | 89.5 Ų | 89.5 | 60% | 0.597 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.8 | -35.3 | 177.8 | -72.1 | 173.6 | 0 | 0 | 0 | 111.9 | V269 S270 | L266-V269 PolarHBondContact O-N 3.26Å; L266-S270 WeakPolarHBondContact O-CB 3.27Å; L266-S270 PolarHBondContact O-N 2.91Å; L266-S270 PolarHBondContact O-OG 2.73Å |
| 267 | L | 67.2 | Low | 64.7 | Low | 17 Ų | 17 | 86.3 Ų | 86.3 | 9% | 0.089 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 173.9 | -173.6 | 67.4 | 0 | 0 | 0 | 111.9 | Y264 I265 S270 Y271 V325 Y330 | Y264-L267 HydrophobicContact CD1-CD2 3.76Å; Y264-L267 HydrophobicContact CE1-CD2 4.39Å; Y264-L267 WeakPolarHBondContact O-CB 3.41Å; Y264-L267 PolarHBondContact O-N 2.7Å; I265-L267 VanDerWaalsContact C-N 3.25Å; I265-L267 PolarHBondContact O-N 3.41Å; L267-S270 PolarHBondContact O-N 3.18Å; L267-S270 PolarHBondContact O-OG 2.72Å; L267-Y271 HydrophobicContact CD1-CE1 4.24Å; L267-Y271 HydrophobicContact CD1-CE2 3.92Å; L267-Y271 WeakPolarHBondContact CD1-OH 3.43Å; L267-Y271 HydrophobicContact CD2-CE2 3.97Å; L267-Y271 HydrophobicContact CG-CD2 4.26Å; L267-Y271 HydrophobicContact CG-CE2 3.5Å; L267-Y271 WeakPolarHBondContact O-CD2 3.41Å; L267-Y271 VanDerWaalsContact O-CG 3.27Å; L267-Y271 PolarHBondContact O-N 2.73Å; L267-Y271 VanDerWaalsContact O-N 3.09Å; L267-V325 HydrophobicContact CD2-CG1 4.41Å; L267-Y330 HydrophobicContact CD1-CD2 4.49Å; L267-Y330 HydrophobicContact CD1-CE2 3.38Å; L267-Y330 VanDerWaalsContact CD1-CZ 3.44Å; L267-Y330 WeakPolarHBondContact CD1-OH 3.12Å |
| 268 | V | 68.4 | Low | 65.2 | Low | 83 Ų | 83 | 82.6 Ų | 82.6 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | Y264 I265 Y271 V272 | Y264-V268 WeakPolarHBondContact O-CB 3.12Å; Y264-V268 VanDerWaalsContact O-CG2 3.27Å; Y264-V268 WeakPolarHBondContact O-CG2 3.22Å; Y264-V268 PolarHBondContact O-N 3.3Å; I265-V268 PolarHBondContact O-N 3.23Å; I265-V268 VanDerWaalsContact O-N 3.17Å; V268-Y271 PolarHBondContact O-N 3.04Å; V268-V272 WeakPolarHBondContact O-CG2 3.49Å; V268-V272 PolarHBondContact O-N 3.2Å |
| 269 | V | 68.4 | Low | 65.9 | Low | 68 Ų | 68 | 80.4 Ų | 80.4 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 176.5 | 169.5 | 0 | 0 | 0 | 0 | 111 | I265 L266 Y271 V272 I273 | I265-V269 HydrophobicContact CG2-CG2 4.23Å; I265-V269 WeakPolarHBondContact O-CB 3.39Å; I265-V269 VanDerWaalsContact O-CG2 3.25Å; I265-V269 WeakPolarHBondContact O-CG2 3.33Å; I265-V269 PolarHBondContact O-N 3.31Å; L266-V269 PolarHBondContact O-N 3.26Å; V269-Y271 VanDerWaalsContact C-N 3.31Å; V269-Y271 PolarHBondContact O-N 2.91Å; V269-V272 PolarHBondContact O-N 3.12Å; V269-V272 VanDerWaalsContact O-N 3.14Å; V269-I273 HydrophobicContact CG1-CD1 3.92Å; V269-I273 HydrophobicContact CG1-CG1 4.41Å; V269-I273 WeakPolarHBondContact O-CG1 3.17Å; V269-I273 PolarHBondContact O-N 3.23Å |
| 270 | S | 64.1 | Low | 66.6 | Low | 12 Ų | 12 | 78.2 Ų | 78.2 | 8% | 0.084 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64 | -37.2 | 176.8 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | L266 L267 V272 I273 L274 Y330 | L266-S270 WeakPolarHBondContact O-CB 3.27Å; L266-S270 PolarHBondContact O-N 2.91Å; L266-S270 PolarHBondContact O-OG 2.73Å; L267-S270 PolarHBondContact O-N 3.18Å; L267-S270 PolarHBondContact O-OG 2.72Å; S270-V272 VanDerWaalsContact C-N 3.34Å; S270-V272 PolarHBondContact O-N 2.77Å; S270-I273 PolarHBondContact O-N 3.13Å; S270-L274 WeakPolarHBondContact O-CB 3.45Å; S270-L274 PolarHBondContact O-N 3.41Å; S270-Y330 WeakPolarHBondContact CB-OH 2.99Å; S270-Y330 VanDerWaalsContact OG-CE1 3.3Å; S270-Y330 WeakPolarHBondContact OG-CE1 3.17Å; S270-Y330 VanDerWaalsContact OG-CZ 3.32Å; S270-Y330 PolarHBondContact OG-OH 2.78Å |
| 271 | Y | 70 | Confident | 67.1 | Low | 65 Ų | 65 | 76.1 Ų | 76.1 | 26% | 0.255 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.6 | -34.8 | 172.4 | -64.2 | -36.2 | 0 | 0 | 0 | 113 | L267 V268 V269 L274 L275 V325 P329 Y330 | L267-Y271 HydrophobicContact CD1-CE1 4.24Å; L267-Y271 HydrophobicContact CD1-CE2 3.92Å; L267-Y271 WeakPolarHBondContact CD1-OH 3.43Å; L267-Y271 HydrophobicContact CD2-CE2 3.97Å; L267-Y271 HydrophobicContact CG-CD2 4.26Å; L267-Y271 HydrophobicContact CG-CE2 3.5Å; L267-Y271 WeakPolarHBondContact O-CD2 3.41Å; L267-Y271 VanDerWaalsContact O-CG 3.27Å; L267-Y271 PolarHBondContact O-N 2.73Å; L267-Y271 VanDerWaalsContact O-N 3.09Å; V268-Y271 PolarHBondContact O-N 3.04Å; V269-Y271 VanDerWaalsContact C-N 3.31Å; V269-Y271 PolarHBondContact O-N 2.91Å; Y271-L274 HydrophobicContact CD1-CD2 4.14Å; Y271-L275 WeakPolarHBondContact O-CB 2.95Å; Y271-L275 PolarHBondContact O-N 2.93Å; Y271-V325 PolarHBondContact OH-O 3.22Å; Y271-P329 HydrophobicContact CE1-CB 3.83Å; Y271-P329 WeakPolarHBondContact OH-CB 3.27Å; Y271-P329 VanDerWaalsContact OH-CG 3.3Å; Y271-P329 WeakPolarHBondContact OH-CG 3.35Å; Y271-Y330 HydrophobicContact CD1-CE1 4.3Å; Y271-Y330 HydrophobicContact CE1-CD1 4.1Å; Y271-Y330 AromaticContact CE1-CE1 3.93Å; Y271-Y330 HydrophobicContact CE1-CE1 3.93Å; Y271-Y330 HydrophobicContact CE1-CG 4.49Å |
| 272 | V | 72.1 | Confident | 67.4 | Low | 84 Ų | 84 | 65.8 Ų | 65.8 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.8 | -42.7 | 174.8 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | V268 V269 S270 L274 L275 F276 | V268-V272 WeakPolarHBondContact O-CG2 3.49Å; V268-V272 PolarHBondContact O-N 3.2Å; V269-V272 PolarHBondContact O-N 3.12Å; V269-V272 VanDerWaalsContact O-N 3.14Å; S270-V272 VanDerWaalsContact C-N 3.34Å; S270-V272 PolarHBondContact O-N 2.77Å; V272-L274 PolarHBondContact O-N 2.73Å; V272-L275 WeakPolarHBondContact O-CB 3.35Å; V272-L275 PolarHBondContact O-N 2.93Å; V272-F276 PolarHBondContact O-N 3.13Å |
| 273 | I | 70.7 | Confident | 67.6 | Low | 112 Ų | 112 | 62.4 Ų | 62.4 | 57% | 0.574 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.1 | -43 | 174.9 | -71.8 | 167.9 | 0 | 0 | 0 | 110.3 | V269 S270 F276 Y277 | V269-I273 HydrophobicContact CG1-CD1 3.92Å; V269-I273 HydrophobicContact CG1-CG1 4.41Å; V269-I273 WeakPolarHBondContact O-CG1 3.17Å; V269-I273 PolarHBondContact O-N 3.23Å; S270-I273 PolarHBondContact O-N 3.13Å; I273-F276 CarbonylContact O-C 3.57Å; I273-F276 WeakPolarHBondContact O-CB 3.22Å; I273-F276 PolarHBondContact O-N 2.64Å; I273-Y277 PolarHBondContact O-N 2.98Å |
| 274 | L | 68.5 | Low | 67.7 | Low | 26 Ų | 26 | 67.1 Ų | 67.1 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 177.2 | 166.1 | 70.7 | 0 | 0 | 0 | 113.5 | S270 Y271 V272 F276 Y277 L278 L333 | S270-L274 WeakPolarHBondContact O-CB 3.45Å; S270-L274 PolarHBondContact O-N 3.41Å; Y271-L274 HydrophobicContact CD1-CD2 4.14Å; V272-L274 PolarHBondContact O-N 2.73Å; L274-F276 PolarHBondContact O-N 3.02Å; L274-Y277 HydrophobicContact CD1-CD1 4.45Å; L274-Y277 CarbonylContact O-C 3.52Å; L274-Y277 WeakPolarHBondContact O-CB 3.09Å; L274-Y277 PolarHBondContact O-N 3.39Å; L274-L278 WeakPolarHBondContact O-CB 3.44Å; L274-L278 PolarHBondContact O-N 3.2Å; L274-L333 HydrophobicContact CD1-CD1 3.96Å; L274-L333 HydrophobicContact CD1-CD2 3.36Å; L274-L333 HydrophobicContact CD1-CG 3.83Å; L274-L333 HydrophobicContact CD2-CD1 3.37Å; L274-L333 HydrophobicContact CD2-CD2 2.91Å; L274-L333 HydrophobicContact CD2-CG 3.52Å; L274-L333 HydrophobicContact CG-CD1 3.71Å; L274-L333 HydrophobicContact CG-CD2 3.52Å; L274-L333 HydrophobicContact CG-CG 3.96Å |
| 275 | L | 70.5 | Confident | 67.5 | Low | 81 Ų | 81 | 65.2 Ų | 65.2 | 42% | 0.424 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 170.8 | 176.6 | 71.5 | 0 | 0 | 0 | 110.1 | Y271 V272 L278 Y279 V299 | Y271-L275 WeakPolarHBondContact O-CB 2.95Å; Y271-L275 PolarHBondContact O-N 2.93Å; V272-L275 WeakPolarHBondContact O-CB 3.35Å; V272-L275 PolarHBondContact O-N 2.93Å; L275-L278 WeakPolarHBondContact O-CB 3.39Å; L275-L278 PolarHBondContact O-N 3.37Å; L275-Y279 WeakPolarHBondContact O-CB 3.28Å; L275-Y279 PolarHBondContact O-N 3.39Å; L275-V299 HydrophobicContact CD1-CB 4.31Å; L275-V299 HydrophobicContact CD1-CG1 4.28Å; L275-V299 HydrophobicContact CD1-CG2 3.2Å |
| 276 | F | 69.9 | Low | 67 | Low | 141 Ų | 141 | 69.2 Ų | 69.2 | 62% | 0.618 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | 174.1 | -175.2 | -95.9 | 0 | 0 | 0 | 112 | V272 I273 L274 Y279 A280 | V272-F276 PolarHBondContact O-N 3.13Å; I273-F276 CarbonylContact O-C 3.57Å; I273-F276 WeakPolarHBondContact O-CB 3.22Å; I273-F276 PolarHBondContact O-N 2.64Å; L274-F276 PolarHBondContact O-N 3.02Å; F276-Y279 WeakPolarHBondContact O-CB 3.09Å; F276-Y279 PolarHBondContact O-N 2.83Å; F276-A280 WeakPolarHBondContact O-CB 3.32Å; F276-A280 PolarHBondContact O-N 3.02Å |
| 277 | Y | 71.2 | Confident | 66.7 | Low | 57 Ų | 57 | 64.6 Ų | 64.6 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 173.5 | 176.8 | -110.7 | 0 | 0 | 0 | 111.8 | I273 L274 Y279 A280 C281 M337 F529 | I273-Y277 PolarHBondContact O-N 2.98Å; L274-Y277 HydrophobicContact CD1-CD1 4.45Å; L274-Y277 CarbonylContact O-C 3.52Å; L274-Y277 WeakPolarHBondContact O-CB 3.09Å; L274-Y277 PolarHBondContact O-N 3.39Å; Y277-Y279 VanDerWaalsContact C-N 3.31Å; Y277-Y279 PolarHBondContact O-N 3.22Å; Y277-A280 PolarHBondContact O-N 2.83Å; Y277-C281 VanDerWaalsContact CZ-SG 3.53Å; Y277-C281 WeakPolarHBondContact O-CB 3.49Å; Y277-C281 PolarHBondContact O-N 2.76Å; Y277-C281 PolarHBondContact O-SG 3.5Å; Y277-C281 VanDerWaalsContact O-SG 3.32Å; Y277-M337 HydrophobicContact CD1-CE 3.38Å; Y277-M337 HydrophobicContact CD1-SD 3.8Å; Y277-M337 HydrophobicContact CE1-CE 3.09Å; Y277-M337 HydrophobicContact CE1-SD 3.68Å; Y277-F529 HydrophobicContact CE1-CE1 4.06Å; Y277-F529 HydrophobicContact CE1-CZ 4.44Å |
| 278 | L | 68.6 | Low | 66.2 | Low | 12 Ų | 12 | 64.5 Ų | 64.5 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 172.9 | -82.3 | 166.1 | 0 | 0 | 0 | 111.3 | L274 L275 C281 S282 V299 L333 M337 | L274-L278 WeakPolarHBondContact O-CB 3.44Å; L274-L278 PolarHBondContact O-N 3.2Å; L275-L278 WeakPolarHBondContact O-CB 3.39Å; L275-L278 PolarHBondContact O-N 3.37Å; L278-C281 PolarHBondContact O-N 3.38Å; L278-S282 WeakPolarHBondContact O-CB 3.44Å; L278-S282 PolarHBondContact O-N 3.47Å; L278-V299 HydrophobicContact CD1-CG2 4.2Å; L278-L333 HydrophobicContact CD1-CD1 3.99Å; L278-M337 HydrophobicContact CD2-CB 4.25Å; L278-M337 HydrophobicContact CD2-CE 3.61Å; L278-M337 HydrophobicContact CD2-CG 3.54Å; L278-M337 HydrophobicContact CD2-SD 3.42Å; L278-M337 WeakPolarHBondContact CD2-SD 3.33Å; L278-M337 HydrophobicContact CG-CE 4.12Å; L278-M337 HydrophobicContact CG-SD 3.86Å |
| 279 | Y | 67.8 | Low | 65.8 | Low | 49 Ų | 49 | 65.3 Ų | 65.3 | 19% | 0.192 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 175.1 | 177.5 | -102.7 | 0 | 0 | 0 | 111.6 | L275 F276 Y277 C281 S282 Q283 W292 | L275-Y279 WeakPolarHBondContact O-CB 3.28Å; L275-Y279 PolarHBondContact O-N 3.39Å; F276-Y279 WeakPolarHBondContact O-CB 3.09Å; F276-Y279 PolarHBondContact O-N 2.83Å; Y277-Y279 VanDerWaalsContact C-N 3.31Å; Y277-Y279 PolarHBondContact O-N 3.22Å; Y279-C281 PolarHBondContact O-N 2.96Å; Y279-S282 CarbonylContact O-C 3.57Å; Y279-S282 PolarHBondContact O-N 3.4Å; Y279-S282 VanDerWaalsContact O-N 3.13Å; Y279-S282 PolarHBondContact O-OG 3.47Å; Y279-Q283 HydrophobicContact CD1-CG 4.37Å; Y279-Q283 HydrophobicContact CE1-CG 4Å; Y279-Q283 VanDerWaalsContact CZ-NE2 3.29Å; Y279-Q283 WeakPolarHBondContact O-CG 3.47Å; Y279-Q283 PolarHBondContact O-N 2.72Å; Y279-Q283 PolarHBondContact OH-NE2 3.35Å; Y279-Q283 VanDerWaalsContact OH-NE2 3.09Å; Y279-W292 HydrophobicContact CD2-CE3 4.37Å; Y279-W292 HydrophobicContact CD2-CH2 4.44Å; Y279-W292 HydrophobicContact CD2-CZ3 4.25Å; Y279-W292 HydrophobicContact CE2-CD2 4.11Å; Y279-W292 AromaticContact CE2-CE2 3.94Å; Y279-W292 HydrophobicContact CE2-CE3 4.2Å; Y279-W292 HydrophobicContact CE2-CH2 4.02Å; Y279-W292 AromaticContact CE2-CZ2 3.91Å; Y279-W292 HydrophobicContact CE2-CZ2 3.91Å; Y279-W292 HydrophobicContact CE2-CZ3 4.16Å |
| 280 | A | 68.3 | Low | 65.7 | Low | 34 Ų | 34 | 63.6 Ų | 63.6 | 28% | 0.281 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F276 Y277 Q283 | F276-A280 WeakPolarHBondContact O-CB 3.32Å; F276-A280 PolarHBondContact O-N 3.02Å; Y277-A280 PolarHBondContact O-N 2.83Å; A280-Q283 PolarHBondContact O-N 2.62Å |
| 281 | C | 66.9 | Low | 65.9 | Low | 24 Ų | 24 | 67.1 Ų | 67.1 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.7 | -42 | 171.9 | -74.8 | 0 | 0 | 0 | 0 | 111.4 | Y277 L278 Y279 Q283 K284 M337 L341 | Y277-C281 VanDerWaalsContact CZ-SG 3.53Å; Y277-C281 WeakPolarHBondContact O-CB 3.49Å; Y277-C281 PolarHBondContact O-N 2.76Å; Y277-C281 PolarHBondContact O-SG 3.5Å; Y277-C281 VanDerWaalsContact O-SG 3.32Å; L278-C281 PolarHBondContact O-N 3.38Å; Y279-C281 PolarHBondContact O-N 2.96Å; C281-Q283 VanDerWaalsContact C-N 3.31Å; C281-Q283 PolarHBondContact O-N 2.72Å; C281-K284 PolarHBondContact O-N 2.86Å; C281-M337 HydrophobicContact CB-CE 4.09Å; C281-L341 HydrophobicContact CB-CD1 4.23Å; C281-L341 HydrophobicContact CB-CD2 4.27Å |
| 282 | S | 66.2 | Low | 65.8 | Low | 5 Ų | 5 | 72.2 Ų | 72.2 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67 | -31.1 | 176.5 | 79.7 | 0 | 0 | 0 | 0 | 112.4 | L278 Y279 K284 I285 | L278-S282 WeakPolarHBondContact O-CB 3.44Å; L278-S282 PolarHBondContact O-N 3.47Å; Y279-S282 CarbonylContact O-C 3.57Å; Y279-S282 PolarHBondContact O-N 3.4Å; Y279-S282 VanDerWaalsContact O-N 3.13Å; Y279-S282 PolarHBondContact O-OG 3.47Å; S282-K284 VanDerWaalsContact C-N 3.26Å; S282-K284 PolarHBondContact O-N 3.3Å; S282-I285 WeakPolarHBondContact O-CB 3.34Å; S282-I285 PolarHBondContact O-N 3.4Å |
| 283 | Q | 61.1 | Low | 65.7 | Low | 88 Ų | 88 | 70.2 Ų | 70.2 | 41% | 0.411 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.7 | -29.9 | 177.1 | -78.7 | -168.8 | -17.5 | 0 | 0 | 113.1 | Y279 A280 C281 I285 K291 | Y279-Q283 HydrophobicContact CD1-CG 4.37Å; Y279-Q283 HydrophobicContact CE1-CG 4Å; Y279-Q283 VanDerWaalsContact CZ-NE2 3.29Å; Y279-Q283 WeakPolarHBondContact O-CG 3.47Å; Y279-Q283 PolarHBondContact O-N 2.72Å; Y279-Q283 PolarHBondContact OH-NE2 3.35Å; Y279-Q283 VanDerWaalsContact OH-NE2 3.09Å; A280-Q283 PolarHBondContact O-N 2.62Å; C281-Q283 VanDerWaalsContact C-N 3.31Å; C281-Q283 PolarHBondContact O-N 2.72Å; Q283-I285 PolarHBondContact O-N 2.9Å; Q283-K291 HydrophobicContact CG-CD 4.48Å |
| 284 | K | 62.7 | Low | 65.9 | Low | 187 Ų | 187 | 65.4 Ų | 65.4 | 81% | 0.813 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10.4 | 174.4 | -67.8 | -172.4 | 178 | -178.3 | 0 | 113.3 | C281 S282 | C281-K284 PolarHBondContact O-N 2.86Å; S282-K284 VanDerWaalsContact C-N 3.26Å; S282-K284 PolarHBondContact O-N 3.3Å |
| 285 | I | 63.9 | Low | 66.2 | Low | 27 Ų | 27 | 64.6 Ų | 64.6 | 14% | 0.138 | 31% | 0.308 | C | S | . | . | trans | -96.6 | 100.7 | 179.5 | -50.8 | 175.8 | 0 | 0 | 0 | 107.9 | S282 Q283 M287 V288 L294 L341 T344 V348 | S282-I285 WeakPolarHBondContact O-CB 3.34Å; S282-I285 PolarHBondContact O-N 3.4Å; Q283-I285 PolarHBondContact O-N 2.9Å; I285-M287 VanDerWaalsContact C-N 3.3Å; I285-M287 PolarHBondContact O-N 3.25Å; I285-V288 HydrophobicContact CG2-CG2 3.9Å; I285-L294 HydrophobicContact CD1-CD2 4.24Å; I285-L341 HydrophobicContact CD1-CD2 4.44Å; I285-T344 HydrophobicContact CD1-CG2 3.96Å; I285-V348 HydrophobicContact CG2-CG1 4.23Å; I285-V348 HydrophobicContact CG2-CG2 4.32Å | ||
| 286 | E | 55 | Low | 66.6 | Low | 168 Ų | 168 | 67.1 Ų | 67.1 | 79% | 0.785 | 32% | 0.316 | S | S | * | . | trans | -76.7 | -9.4 | -174.1 | -71.9 | -177.9 | 153.9 | 0 | 0 | 114.7 | ||||
| 287 | M | 58.6 | Low | 67.2 | Low | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -104.5 | 47.9 | -175.2 | -99.8 | -163.9 | -154.3 | 0 | 0 | 113.8 | I285 V348 T352 F427 L435 | I285-M287 VanDerWaalsContact C-N 3.3Å; I285-M287 PolarHBondContact O-N 3.25Å; M287-V348 HydrophobicContact CB-CG1 3.42Å; M287-V348 VanDerWaalsContact CB-CG1 3.42Å; M287-V348 HydrophobicContact CG-CG1 4.29Å; M287-V348 HydrophobicContact SD-CG1 4.06Å; M287-T352 HydrophobicContact CE-CG2 3.98Å; M287-T352 HydrophobicContact SD-CG2 4.21Å; M287-F427 VanDerWaalsContact O-CZ 3.25Å; M287-F427 WeakPolarHBondContact O-CZ 3.42Å; M287-L435 HydrophobicContact CE-CB 4.14Å; M287-L435 HydrophobicContact CE-CD1 4.23Å; M287-L435 HydrophobicContact CE-CD2 3.79Å; M287-L435 HydrophobicContact CE-CG 4.26Å; M287-L435 HydrophobicContact CG-CD1 3.76Å; M287-L435 HydrophobicContact CG-CD2 3.44Å; M287-L435 VanDerWaalsContact CG-CD2 3.44Å; M287-L435 HydrophobicContact CG-CG 4.22Å; M287-L435 HydrophobicContact SD-CD1 4.08Å; M287-L435 HydrophobicContact SD-CD2 4.27Å |
| 288 | V | 57.5 | Low | 67.7 | Low | 15 Ų | 15 | 58.3 Ų | 58.3 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | trans | -134.4 | 127 | 176.4 | -175.2 | 0 | 0 | 0 | 0 | 110 | I285 S290 L294 D423 | I285-V288 HydrophobicContact CG2-CG2 3.9Å; V288-S290 WeakPolarHBondContact CG1-O 3.47Å; V288-L294 HydrophobicContact CG1-CB 3.9Å; V288-L294 HydrophobicContact CG2-CD2 4.01Å; V288-D423 WeakPolarHBondContact CG1-OD2 3.46Å | ||
| 289 | K | 60.3 | Low | 68.2 | Low | 100 Ų | 100 | 59.7 Ų | 59.7 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -68.1 | -37.3 | -173.7 | -173 | 167.3 | -179 | 151.5 | 0 | 112.8 | R426 F427 D431 | K289-R426 HydrophobicContact CD-CB 4.14Å; K289-R426 HydrophobicContact CD-CG 4.01Å; K289-R426 WeakPolarHBondContact CD-O 3.45Å; K289-R426 WeakPolarHBondContact CE-O 3.41Å; K289-R426 PolarHBondContact NZ-O 3.16Å; K289-F427 HydrophobicContact CB-CE1 4.21Å; K289-F427 HydrophobicContact CB-CZ 4.22Å; K289-D431 IonicContact NZ-OD2 2.8Å; K289-D431 PolarHBondContact NZ-OD2 3.36Å |
| 290 | S | 65 | Low | 69 | Low | 33 Ų | 33 | 59.7 Ų | 59.7 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | trans | -126.7 | 101.4 | 170.5 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | V288 W292 A293 L294 | V288-S290 WeakPolarHBondContact CG1-O 3.47Å; S290-W292 PolarHBondContact O-N 3.44Å; S290-W292 VanDerWaalsContact O-N 3.14Å; S290-A293 PolarHBondContact O-N 3.08Å; S290-A293 PolarHBondContact OG-N 3Å; S290-L294 PolarHBondContact O-N 3.34Å | ||
| 291 | K | 69.1 | Low | 69.9 | Low | 85 Ų | 85 | 58 Ų | 58 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -53.6 | -34.3 | 175.5 | -60.9 | -177 | 179.7 | -172.2 | 0 | 111.7 | Q283 A295 | Q283-K291 HydrophobicContact CG-CD 4.48Å; K291-A295 PolarHBondContact O-N 3.41Å |
| 292 | W | 67.2 | Low | 70.7 | Confident | 173 Ų | 173 | 57.4 Ų | 57.4 | 66% | 0.655 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.5 | -39.3 | 175.1 | -69.2 | 106.6 | 0 | 0 | 0 | 113.6 | Y279 S290 A295 F296 | Y279-W292 HydrophobicContact CD2-CE3 4.37Å; Y279-W292 HydrophobicContact CD2-CH2 4.44Å; Y279-W292 HydrophobicContact CD2-CZ3 4.25Å; Y279-W292 HydrophobicContact CE2-CD2 4.11Å; Y279-W292 AromaticContact CE2-CE2 3.94Å; Y279-W292 HydrophobicContact CE2-CE3 4.2Å; Y279-W292 HydrophobicContact CE2-CH2 4.02Å; Y279-W292 AromaticContact CE2-CZ2 3.91Å; Y279-W292 HydrophobicContact CE2-CZ2 3.91Å; Y279-W292 HydrophobicContact CE2-CZ3 4.16Å; S290-W292 PolarHBondContact O-N 3.44Å; S290-W292 VanDerWaalsContact O-N 3.14Å; W292-A295 PolarHBondContact O-N 3.1Å; W292-F296 WeakPolarHBondContact O-CB 3.02Å; W292-F296 PolarHBondContact O-N 3.42Å |
| 293 | A | 71.1 | Confident | 71.4 | Confident | 42 Ų | 42 | 60 Ų | 60 | 35% | 0.347 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.6 | -38.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S290 G297 | S290-A293 PolarHBondContact O-N 3.08Å; S290-A293 PolarHBondContact OG-N 3Å; A293-G297 PolarHBondContact O-N 2.88Å |
| 294 | L | 75.4 | Confident | 72.7 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.2 | -49.6 | 175.5 | -172.3 | 79.1 | 0 | 0 | 0 | 111.4 | I285 V288 S290 F296 G297 A298 T344 Y416 L420 | I285-L294 HydrophobicContact CD1-CD2 4.24Å; V288-L294 HydrophobicContact CG1-CB 3.9Å; V288-L294 HydrophobicContact CG2-CD2 4.01Å; S290-L294 PolarHBondContact O-N 3.34Å; L294-F296 VanDerWaalsContact C-N 3.34Å; L294-F296 PolarHBondContact O-N 3.4Å; L294-G297 PolarHBondContact O-N 2.62Å; L294-A298 PolarHBondContact O-N 2.83Å; L294-T344 HydrophobicContact CD1-CG2 3.98Å; L294-T344 HydrophobicContact CD2-CG2 3.81Å; L294-Y416 HydrophobicContact CD1-CE2 4.49Å; L294-Y416 WeakPolarHBondContact CD1-OH 3.11Å; L294-L420 HydrophobicContact CD1-CD1 3.9Å |
| 295 | A | 74.3 | Confident | 73.8 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K291 W292 A298 V299 | K291-A295 PolarHBondContact O-N 3.41Å; W292-A295 PolarHBondContact O-N 3.1Å; A295-A298 PolarHBondContact O-N 2.86Å; A295-V299 WeakPolarHBondContact O-CG2 3.13Å; A295-V299 PolarHBondContact O-N 3.09Å |
| 296 | F | 78.5 | Confident | 74.6 | Confident | 135 Ų | 135 | 48.2 Ų | 48.2 | 59% | 0.592 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.3 | -43.4 | 175.6 | -178.9 | -100.4 | 0 | 0 | 0 | 112 | W292 L294 A298 V299 L300 | W292-F296 WeakPolarHBondContact O-CB 3.02Å; W292-F296 PolarHBondContact O-N 3.42Å; L294-F296 VanDerWaalsContact C-N 3.34Å; L294-F296 PolarHBondContact O-N 3.4Å; F296-A298 VanDerWaalsContact C-N 3.35Å; F296-A298 PolarHBondContact O-N 2.91Å; F296-V299 PolarHBondContact O-N 3.2Å; F296-L300 HydrophobicContact CE1-CD2 3.74Å; F296-L300 HydrophobicContact CZ-CD2 4.16Å; F296-L300 VanDerWaalsContact O-CB 3.22Å; F296-L300 WeakPolarHBondContact O-CB 3.27Å; F296-L300 PolarHBondContact O-N 3Å |
| 297 | G | 82.4 | Confident | 76 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 6% | 0.062 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.2 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A293 L294 V299 L300 T301 | A293-G297 PolarHBondContact O-N 2.88Å; L294-G297 PolarHBondContact O-N 2.62Å; G297-V299 VanDerWaalsContact C-N 3.35Å; G297-V299 PolarHBondContact O-N 3.04Å; G297-L300 PolarHBondContact O-N 3.42Å; G297-T301 WeakPolarHBondContact O-CG2 3.48Å; G297-T301 PolarHBondContact O-N 3.33Å; G297-T301 PolarHBondContact O-OG1 3.41Å |
| 298 | A | 81.1 | Confident | 77.2 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 5% | 0.05 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -32.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L294 A295 F296 T301 V302 I340 Y416 | L294-A298 PolarHBondContact O-N 2.83Å; A295-A298 PolarHBondContact O-N 2.86Å; F296-A298 VanDerWaalsContact C-N 3.35Å; F296-A298 PolarHBondContact O-N 2.91Å; A298-T301 VanDerWaalsContact C-OG1 3.29Å; A298-T301 WeakPolarHBondContact CA-OG1 3.22Å; A298-T301 PolarHBondContact O-OG1 3.37Å; A298-V302 WeakPolarHBondContact O-CG2 3.48Å; A298-I340 HydrophobicContact CB-CD1 4.38Å; A298-I340 HydrophobicContact CB-CG2 3.92Å; A298-Y416 HydrophobicContact CB-CE2 4.09Å |
| 299 | V | 79.5 | Confident | 78.5 | Confident | 41 Ų | 41 | 42.7 Ų | 42.7 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.8 | -40.6 | 174.8 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | L275 L278 A295 F296 G297 T301 V302 T303 | L275-V299 HydrophobicContact CD1-CB 4.31Å; L275-V299 HydrophobicContact CD1-CG1 4.28Å; L275-V299 HydrophobicContact CD1-CG2 3.2Å; L278-V299 HydrophobicContact CD1-CG2 4.2Å; A295-V299 WeakPolarHBondContact O-CG2 3.13Å; A295-V299 PolarHBondContact O-N 3.09Å; F296-V299 PolarHBondContact O-N 3.2Å; G297-V299 VanDerWaalsContact C-N 3.35Å; G297-V299 PolarHBondContact O-N 3.04Å; V299-T301 VanDerWaalsContact C-N 3.34Å; V299-T301 PolarHBondContact O-N 3.49Å; V299-V302 PolarHBondContact O-N 3.41Å; V299-T303 HydrophobicContact CG1-CG2 4.36Å; V299-T303 WeakPolarHBondContact O-CG2 3.02Å; V299-T303 PolarHBondContact O-N 3.13Å; V299-T303 PolarHBondContact O-OG1 3.42Å |
| 300 | L | 84 | Confident | 79.3 | Confident | 49 Ų | 49 | 38.6 Ų | 38.6 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.8 | -35.8 | 179.5 | -170.6 | 56.7 | 0 | 0 | 0 | 111.6 | F296 G297 T303 L304 F415 | F296-L300 HydrophobicContact CE1-CD2 3.74Å; F296-L300 HydrophobicContact CZ-CD2 4.16Å; F296-L300 VanDerWaalsContact O-CB 3.22Å; F296-L300 WeakPolarHBondContact O-CB 3.27Å; F296-L300 PolarHBondContact O-N 3Å; G297-L300 PolarHBondContact O-N 3.42Å; L300-T303 VanDerWaalsContact CA-OG1 3.27Å; L300-T303 WeakPolarHBondContact CA-OG1 3.17Å; L300-T303 PolarHBondContact O-OG1 3.33Å; L300-L304 HydrophobicContact CD1-CD1 4.01Å; L300-L304 HydrophobicContact CD1-CD2 4.34Å; L300-L304 HydrophobicContact CD1-CG 3.9Å; L300-L304 HydrophobicContact CG-CD1 3.8Å; L300-L304 HydrophobicContact CG-CG 4.18Å; L300-L304 VanDerWaalsContact O-CB 3.25Å; L300-L304 WeakPolarHBondContact O-CB 3.22Å; L300-L304 WeakPolarHBondContact O-CG 3.23Å; L300-L304 PolarHBondContact O-N 3.03Å; L300-F415 HydrophobicContact CB-CE1 4.03Å; L300-F415 HydrophobicContact CB-CZ 4.39Å; L300-F415 HydrophobicContact CD2-CE1 3.96Å; L300-F415 HydrophobicContact CD2-CZ 3.46Å; L300-F415 VanDerWaalsContact CD2-CZ 3.46Å; L300-F415 HydrophobicContact CG-CE1 3.8Å; L300-F415 HydrophobicContact CG-CZ 3.73Å |
| 301 | T | 87.3 | Confident | 80 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 173.5 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | G297 A298 V299 S305 I340 F415 Y416 | G297-T301 WeakPolarHBondContact O-CG2 3.48Å; G297-T301 PolarHBondContact O-N 3.33Å; G297-T301 PolarHBondContact O-OG1 3.41Å; A298-T301 VanDerWaalsContact C-OG1 3.29Å; A298-T301 WeakPolarHBondContact CA-OG1 3.22Å; A298-T301 PolarHBondContact O-OG1 3.37Å; V299-T301 VanDerWaalsContact C-N 3.34Å; V299-T301 PolarHBondContact O-N 3.49Å; T301-S305 WeakPolarHBondContact O-CB 3.13Å; T301-S305 PolarHBondContact O-N 3.05Å; T301-S305 PolarHBondContact O-OG 3.4Å; T301-I340 VanDerWaalsContact OG1-CD1 3.31Å; T301-I340 WeakPolarHBondContact OG1-CD1 3.4Å; T301-F415 HydrophobicContact CG2-CD1 3.5Å; T301-F415 VanDerWaalsContact CG2-CD1 3.5Å; T301-F415 HydrophobicContact CG2-CE1 4.07Å; T301-Y416 VanDerWaalsContact CG2-CB 3.44Å; T301-Y416 HydrophobicContact CG2-CD2 3.65Å; T301-Y416 HydrophobicContact CG2-CG 3.93Å |
| 302 | V | 83.9 | Confident | 80.5 | Confident | 10 Ų | 10 | 34 Ų | 34 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.4 | -44.5 | -178.2 | 174.9 | 0 | 0 | 0 | 0 | 109.8 | A298 V299 L304 S305 L306 L333 | A298-V302 WeakPolarHBondContact O-CG2 3.48Å; V299-V302 PolarHBondContact O-N 3.41Å; V302-L304 PolarHBondContact O-N 2.96Å; V302-S305 PolarHBondContact O-N 3.47Å; V302-S305 PolarHBondContact O-OG 3.36Å; V302-L306 HydrophobicContact CG1-CD1 4.19Å; V302-L306 HydrophobicContact CG1-CG 4.48Å; V302-L306 WeakPolarHBondContact O-CG 3.3Å; V302-L306 PolarHBondContact O-N 3.27Å; V302-L333 HydrophobicContact CG1-CB 4.08Å; V302-L333 HydrophobicContact CG1-CD1 4.38Å |
| 303 | T | 81.2 | Confident | 81 | Confident | 60 Ų | 60 | 26 Ų | 26 | 37% | 0.368 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 178.6 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | V299 L300 L306 L307 | V299-T303 HydrophobicContact CG1-CG2 4.36Å; V299-T303 WeakPolarHBondContact O-CG2 3.02Å; V299-T303 PolarHBondContact O-N 3.13Å; V299-T303 PolarHBondContact O-OG1 3.42Å; L300-T303 VanDerWaalsContact CA-OG1 3.27Å; L300-T303 WeakPolarHBondContact CA-OG1 3.17Å; L300-T303 PolarHBondContact O-OG1 3.33Å; T303-L306 PolarHBondContact O-N 3.26Å; T303-L307 WeakPolarHBondContact O-CG 3.2Å; T303-L307 PolarHBondContact O-N 2.63Å |
| 304 | L | 87.9 | Confident | 81 | Confident | 20 Ų | 20 | 25.8 Ų | 25.8 | 11% | 0.105 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.4 | -34.4 | 176.7 | -68.4 | 173.4 | 0 | 0 | 0 | 112.4 | L35 V38 L300 V302 L307 M308 M411 F415 | L35-L304 HydrophobicContact CD2-CD1 4.08Å; V38-L304 HydrophobicContact CB-CD2 4.46Å; V38-L304 HydrophobicContact CG1-CB 4.3Å; V38-L304 HydrophobicContact CG1-CD2 3.7Å; V38-L304 HydrophobicContact CG2-CB 4.13Å; L300-L304 HydrophobicContact CD1-CD1 4.01Å; L300-L304 HydrophobicContact CD1-CD2 4.34Å; L300-L304 HydrophobicContact CD1-CG 3.9Å; L300-L304 HydrophobicContact CG-CD1 3.8Å; L300-L304 HydrophobicContact CG-CG 4.18Å; L300-L304 VanDerWaalsContact O-CB 3.25Å; L300-L304 WeakPolarHBondContact O-CB 3.22Å; L300-L304 WeakPolarHBondContact O-CG 3.23Å; L300-L304 PolarHBondContact O-N 3.03Å; V302-L304 PolarHBondContact O-N 2.96Å; L304-L307 PolarHBondContact O-N 3.49Å; L304-M308 WeakPolarHBondContact O-CB 3.34Å; L304-M308 PolarHBondContact O-N 3.3Å; L304-M411 HydrophobicContact CB-CE 3.53Å; L304-M411 HydrophobicContact CD1-CE 3.7Å; L304-M411 HydrophobicContact CG-CE 4.28Å; L304-F415 HydrophobicContact CD1-CD1 4.24Å; L304-F415 HydrophobicContact CD1-CD2 4.18Å; L304-F415 HydrophobicContact CD1-CE1 4.04Å; L304-F415 HydrophobicContact CD1-CE2 3.96Å; L304-F415 HydrophobicContact CD1-CG 4.34Å; L304-F415 HydrophobicContact CD1-CZ 3.9Å |
| 305 | S | 87.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.2 | -38.5 | 174.8 | 68.6 | 0 | 0 | 0 | 0 | 111.9 | T301 V302 M308 A309 | T301-S305 WeakPolarHBondContact O-CB 3.13Å; T301-S305 PolarHBondContact O-N 3.05Å; T301-S305 PolarHBondContact O-OG 3.4Å; V302-S305 PolarHBondContact O-N 3.47Å; V302-S305 PolarHBondContact O-OG 3.36Å; S305-M308 PolarHBondContact O-N 3.31Å; S305-A309 WeakPolarHBondContact O-CB 3.2Å; S305-A309 PolarHBondContact O-N 3.41Å |
| 306 | L | 80.4 | Confident | 80.6 | Confident | 35 Ų | 35 | 33.3 Ų | 33.3 | 18% | 0.183 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -45.5 | 173.1 | -68.2 | 176 | 0 | 0 | 0 | 112.3 | V302 T303 M308 A309 A310 F328 P329 A332 | V302-L306 HydrophobicContact CG1-CD1 4.19Å; V302-L306 HydrophobicContact CG1-CG 4.48Å; V302-L306 WeakPolarHBondContact O-CG 3.3Å; V302-L306 PolarHBondContact O-N 3.27Å; T303-L306 PolarHBondContact O-N 3.26Å; L306-M308 VanDerWaalsContact C-N 3.33Å; L306-M308 PolarHBondContact O-N 3.46Å; L306-A309 PolarHBondContact O-N 2.86Å; L306-A310 VanDerWaalsContact O-CB 3.24Å; L306-A310 WeakPolarHBondContact O-CB 3.34Å; L306-A310 PolarHBondContact O-N 2.79Å; L306-F328 HydrophobicContact CD2-CD1 3.51Å; L306-F328 HydrophobicContact CD2-CE1 3.14Å; L306-F328 HydrophobicContact CD2-CZ 3.86Å; L306-P329 HydrophobicContact CD1-CB 3.69Å; L306-P329 HydrophobicContact CD1-CG 4.11Å; L306-P329 HydrophobicContact CD2-CB 4.31Å; L306-P329 HydrophobicContact CD2-CG 4.35Å; L306-A332 HydrophobicContact CD2-CB 3.73Å |
| 307 | L | 82.7 | Confident | 79.9 | Confident | 82 Ų | 82 | 34.6 Ų | 34.6 | 43% | 0.429 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 176.4 | -73.3 | 170.9 | 0 | 0 | 0 | 111.6 | L45 T303 L304 G311 | L45-L307 HydrophobicContact CD1-CD2 4.24Å; L45-L307 WeakPolarHBondContact CD1-O 3.35Å; T303-L307 WeakPolarHBondContact O-CG 3.2Å; T303-L307 PolarHBondContact O-N 2.63Å; L304-L307 PolarHBondContact O-N 3.49Å; L307-G311 PolarHBondContact O-N 3.14Å |
| 308 | M | 85.4 | Confident | 79 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -47.5 | 177 | -172.7 | 167.1 | 76.3 | 0 | 0 | 111.6 | V38 L41 L304 S305 L306 A310 G311 I312 A407 Y410 M411 F669 | V38-M308 HydrophobicContact CG2-SD 4.49Å; L41-M308 HydrophobicContact CB-CG 3.72Å; L41-M308 HydrophobicContact CD1-CG 3.53Å; L41-M308 HydrophobicContact CD1-SD 3.44Å; L41-M308 WeakPolarHBondContact CD1-SD 3.39Å; L41-M308 HydrophobicContact CG-CG 4.27Å; L304-M308 WeakPolarHBondContact O-CB 3.34Å; L304-M308 PolarHBondContact O-N 3.3Å; S305-M308 PolarHBondContact O-N 3.31Å; L306-M308 VanDerWaalsContact C-N 3.33Å; L306-M308 PolarHBondContact O-N 3.46Å; M308-A310 PolarHBondContact O-N 2.89Å; M308-G311 PolarHBondContact O-N 2.73Å; M308-I312 HydrophobicContact CG-CD1 4.17Å; M308-I312 VanDerWaalsContact O-CG1 3.32Å; M308-I312 WeakPolarHBondContact O-CG1 3.15Å; M308-I312 PolarHBondContact O-N 3.49Å; M308-A407 HydrophobicContact CE-CB 3.34Å; M308-A407 WeakPolarHBondContact CE-O 3.21Å; M308-Y410 HydrophobicContact CE-CD1 3.85Å; M308-Y410 HydrophobicContact CE-CG 4.39Å; M308-Y410 HydrophobicContact SD-CD1 4.33Å; M308-M411 HydrophobicContact CE-CG 4.2Å; M308-M411 HydrophobicContact CE-SD 4.48Å; M308-F669 HydrophobicContact CE-CE2 3.92Å; M308-F669 HydrophobicContact CE-CZ 4.28Å; M308-F669 HydrophobicContact SD-CE2 4.42Å |
| 309 | A | 83.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | S305 L306 G311 I312 C313 F328 V403 A407 | S305-A309 WeakPolarHBondContact O-CB 3.2Å; S305-A309 PolarHBondContact O-N 3.41Å; L306-A309 PolarHBondContact O-N 2.86Å; A309-G311 VanDerWaalsContact C-N 3.33Å; A309-G311 PolarHBondContact O-N 3.22Å; A309-I312 PolarHBondContact O-N 2.73Å; A309-C313 PolarHBondContact O-N 2.74Å; A309-C313 PolarHBondContact O-SG 3.17Å; A309-F328 HydrophobicContact CB-CE1 4.06Å; A309-F328 HydrophobicContact CB-CZ 4.32Å; A309-V403 HydrophobicContact CB-CG1 4.21Å; A309-A407 HydrophobicContact CB-CB 4.11Å |
| 310 | A | 77.4 | Confident | 76.1 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 12% | 0.116 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L45 L306 M308 C313 V314 L324 | L45-A310 HydrophobicContact CD1-CB 3.97Å; L45-A310 HydrophobicContact CD2-CB 3.84Å; L45-A310 HydrophobicContact CG-CB 4.44Å; L306-A310 VanDerWaalsContact O-CB 3.24Å; L306-A310 WeakPolarHBondContact O-CB 3.34Å; L306-A310 PolarHBondContact O-N 2.79Å; M308-A310 PolarHBondContact O-N 2.89Å; A310-C313 PolarHBondContact O-N 3.01Å; A310-V314 WeakPolarHBondContact O-CG2 3.24Å; A310-V314 PolarHBondContact O-N 3.09Å; A310-L324 HydrophobicContact CB-CD2 3.86Å |
| 311 | G | 79.5 | Confident | 74.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.1 | -38.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L41 L307 M308 A309 V314 H315 | L41-G311 CarbonylContact O-C 3.58Å; L41-G311 VanDerWaalsContact O-CA 3.22Å; L41-G311 WeakPolarHBondContact O-CA 3.41Å; L307-G311 PolarHBondContact O-N 3.14Å; M308-G311 PolarHBondContact O-N 2.73Å; A309-G311 VanDerWaalsContact C-N 3.33Å; A309-G311 PolarHBondContact O-N 3.22Å; G311-V314 PolarHBondContact O-N 3.5Å; G311-H315 WeakPolarHBondContact O-CB 3.37Å; G311-H315 PolarHBondContact O-N 2.81Å |
| 312 | I | 80.5 | Confident | 72.9 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.108 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 172.6 | -66.9 | 165.1 | 0 | 0 | 0 | 110.7 | L41 M308 A309 V314 H315 F316 V403 | L41-I312 HydrophobicContact CD1-CD1 4.42Å; L41-I312 HydrophobicContact CD2-CD1 4.48Å; L41-I312 HydrophobicContact CD2-CG1 4.07Å; M308-I312 HydrophobicContact CG-CD1 4.17Å; M308-I312 VanDerWaalsContact O-CG1 3.32Å; M308-I312 WeakPolarHBondContact O-CG1 3.15Å; M308-I312 PolarHBondContact O-N 3.49Å; A309-I312 PolarHBondContact O-N 2.73Å; I312-V314 VanDerWaalsContact C-N 3.31Å; I312-V314 PolarHBondContact O-N 2.75Å; I312-H315 PolarHBondContact O-N 3.5Å; I312-F316 HydrophobicContact CG2-CD2 3.78Å; I312-F316 HydrophobicContact CG2-CE2 3.83Å; I312-F316 WeakPolarHBondContact O-CD2 3.21Å; I312-F316 PolarHBondContact O-N 3.48Å; I312-F316 VanDerWaalsContact O-N 3.15Å; I312-V403 HydrophobicContact CB-CG1 3.89Å; I312-V403 HydrophobicContact CD1-CG1 4.17Å; I312-V403 HydrophobicContact CG2-CG1 3.71Å |
| 313 | C | 76.6 | Confident | 71.6 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.034 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 179.3 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | A309 A310 Q317 L318 | A309-C313 PolarHBondContact O-N 2.74Å; A309-C313 PolarHBondContact O-SG 3.17Å; A310-C313 PolarHBondContact O-N 3.01Å; C313-Q317 PolarHBondContact O-N 3.17Å; C313-L318 PolarHBondContact O-N 3.11Å |
| 314 | V | 72.7 | Confident | 70.4 | Confident | 38 Ų | 38 | 47.7 Ų | 47.7 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 175.2 | 167.6 | 0 | 0 | 0 | 0 | 111.5 | P44 L45 A48 A310 G311 I312 F316 Q317 | P44-V314 HydrophobicContact CB-CB 4.38Å; P44-V314 HydrophobicContact CB-CG1 4.02Å; L45-V314 HydrophobicContact CD2-CG2 3.97Å; A48-V314 HydrophobicContact CB-CB 4.48Å; A48-V314 HydrophobicContact CB-CG1 3.57Å; A48-V314 HydrophobicContact CB-CG2 4.1Å; A310-V314 WeakPolarHBondContact O-CG2 3.24Å; A310-V314 PolarHBondContact O-N 3.09Å; G311-V314 PolarHBondContact O-N 3.5Å; I312-V314 VanDerWaalsContact C-N 3.31Å; I312-V314 PolarHBondContact O-N 2.75Å; V314-F316 VanDerWaalsContact C-N 3.33Å; V314-F316 PolarHBondContact O-N 2.8Å; V314-Q317 PolarHBondContact O-N 3.29Å; V314-Q317 VanDerWaalsContact O-N 3.09Å |
| 315 | H | 71.7 | Confident | 68.9 | Low | 59 Ų | 59 | 49.8 Ų | 49.8 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.8 | -44 | -178.1 | -179.1 | 66 | 0 | 0 | 0 | 112.3 | P44 G311 I312 Q317 L662 | P44-H315 HydrophobicContact CB-CB 4.34Å; P44-H315 HydrophobicContact CG-CB 4.08Å; G311-H315 WeakPolarHBondContact O-CB 3.37Å; G311-H315 PolarHBondContact O-N 2.81Å; I312-H315 PolarHBondContact O-N 3.5Å; H315-Q317 PolarHBondContact O-N 2.64Å; H315-L662 HydrophobicContact CB-CD2 4.27Å; H315-L662 VanDerWaalsContact CE1-CD2 3.45Å; H315-L662 WeakPolarHBondContact CE1-CD2 3.33Å; H315-L662 VanDerWaalsContact CG-CD2 3.47Å; H315-L662 WeakPolarHBondContact ND1-CD2 3.49Å; H315-L662 WeakPolarHBondContact NE2-CD2 3.37Å |
| 316 | F | 70 | Confident | 67.6 | Low | 119 Ų | 119 | 52 Ų | 52 | 52% | 0.522 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 3.2 | 178.8 | -72.4 | -66.7 | 0 | 0 | 0 | 114.1 | I312 V314 L318 | I312-F316 HydrophobicContact CG2-CD2 3.78Å; I312-F316 HydrophobicContact CG2-CE2 3.83Å; I312-F316 WeakPolarHBondContact O-CD2 3.21Å; I312-F316 PolarHBondContact O-N 3.48Å; I312-F316 VanDerWaalsContact O-N 3.15Å; V314-F316 VanDerWaalsContact C-N 3.33Å; V314-F316 PolarHBondContact O-N 2.8Å; F316-L318 HydrophobicContact CB-CD1 3.87Å; F316-L318 HydrophobicContact CB-CG 3.75Å; F316-L318 PolarHBondContact O-N 3.36Å |
| 317 | Q | 62.5 | Low | 66.8 | Low | 162 Ų | 162 | 51.9 Ų | 51.9 | 76% | 0.757 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 34.5 | -174.7 | -56.2 | 178 | 2.9 | 0 | 0 | 112.1 | C313 V314 H315 T319 | C313-Q317 PolarHBondContact O-N 3.17Å; V314-Q317 PolarHBondContact O-N 3.29Å; V314-Q317 VanDerWaalsContact O-N 3.09Å; H315-Q317 PolarHBondContact O-N 2.64Å; Q317-T319 VanDerWaalsContact C-N 3.3Å; Q317-T319 PolarHBondContact O-N 3.48Å |
| 318 | L | 62.8 | Low | 66 | Low | 75 Ų | 75 | 48.2 Ų | 48.2 | 39% | 0.393 | 24% | 0.235 | S | C | . | . | trans | -74.6 | 88.4 | 174.1 | -65.1 | 168.4 | 0 | 0 | 0 | 107.1 | C313 F316 | C313-L318 PolarHBondContact O-N 3.11Å; F316-L318 HydrophobicContact CB-CD1 3.87Å; F316-L318 HydrophobicContact CB-CG 3.75Å; F316-L318 PolarHBondContact O-N 3.36Å | ||
| 319 | T | 48.7 | Very low | 65.2 | Low | 62 Ų | 62 | 49 Ų | 49 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | trans | -84.8 | 116.8 | -170.4 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | Q317 R581 | Q317-T319 VanDerWaalsContact C-N 3.3Å; Q317-T319 PolarHBondContact O-N 3.48Å; T319-R581 VanDerWaalsContact CB-NH2 3.3Å | ||
| 320 | R | 52.7 | Low | 64.5 | Low | 88 Ų | 88 | 50.3 Ų | 50.3 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | 179 | 106.8 | 122.6 | -95.7 | -161.4 | -81.3 | -177.1 | 2.8 | 107.6 | T322 E393 E396 | R320-T322 VanDerWaalsContact C-N 3.34Å; R320-T322 PolarHBondContact O-N 2.83Å; R320-E393 IonicContact NH1-OE1 2.74Å; R320-E393 IonicContact NH2-OE1 2.97Å; R320-E393 PolarHBondContact NH2-OE1 3.41Å; R320-E396 WeakPolarHBondContact CB-OE2 3.34Å; R320-E396 IonicContact CZ-OE1 3.05Å; R320-E396 IonicContact CZ-OE2 3.84Å; R320-E396 IonicContact NE-OE1 2.72Å; R320-E396 PolarHBondContact NE-OE1 2.95Å; R320-E396 IonicContact NE-OE2 2.76Å; R320-E396 PolarHBondContact NE-OE2 2.93Å; R320-E396 VanDerWaalsContact NH2-CD 3.32Å; R320-E396 IonicContact NH2-OE1 3.4Å; R320-E396 PolarHBondContact NH2-OE1 2.71Å; R320-E396 IonicContact NH2-OE2 3.48Å; R320-E396 PolarHBondContact NH2-OE2 3.16Å | |||
| 321 | R | 52.8 | Low | 64.1 | Low | 61 Ų | 61 | 52.4 Ų | 52.4 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.6 | -13.2 | -167.7 | -65.1 | -171 | -175.2 | -159.2 | 4.4 | 115.8 | A48 R49 W323 L324 V325 | A48-R321 VanDerWaalsContact CB-NH2 3.25Å; R49-R321 PolarHBondContact O-NH1 3.17Å; R49-R321 PolarHBondContact O-NH2 3.28Å; R321-W323 PolarHBondContact O-N 3.11Å; R321-L324 PolarHBondContact O-N 2.84Å; R321-V325 PolarHBondContact O-N 3.48Å |
| 322 | T | 51.4 | Low | 63.6 | Low | 50 Ų | 50 | 52.6 Ų | 52.6 | 31% | 0.307 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | -171 | 47.7 | 0 | 0 | 0 | 0 | 112.2 | R320 | R320-T322 VanDerWaalsContact C-N 3.34Å; R320-T322 PolarHBondContact O-N 2.83Å |
| 323 | W | 56.4 | Low | 63.1 | Low | 86 Ų | 86 | 52.2 Ų | 52.2 | 33% | 0.326 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -74.7 | -29.7 | 179.2 | -66.1 | 102.3 | 0 | 0 | 0 | 113.5 | R321 V325 E326 L327 F328 | R321-W323 PolarHBondContact O-N 3.11Å; W323-V325 VanDerWaalsContact C-N 3.3Å; W323-V325 PolarHBondContact O-N 3.1Å; W323-E326 PolarHBondContact O-N 3.06Å; W323-L327 HydrophobicContact CE3-CB 3.93Å; W323-L327 HydrophobicContact CE3-CD2 3.74Å; W323-L327 HydrophobicContact CE3-CG 4.33Å; W323-L327 HydrophobicContact CZ3-CD1 4.42Å; W323-L327 HydrophobicContact CZ3-CD2 3.83Å; W323-L327 PolarHBondContact O-N 3.49Å; W323-F328 PolarHBondContact O-N 3.46Å |
| 324 | L | 54.9 | Low | 62.8 | Low | 25 Ų | 25 | 53.3 Ų | 53.3 | 13% | 0.131 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -36.1 | -180 | -177.8 | 71.3 | 0 | 0 | 0 | 111.9 | A310 R321 F328 P329 I400 | A310-L324 HydrophobicContact CB-CD2 3.86Å; R321-L324 PolarHBondContact O-N 2.84Å; L324-F328 HydrophobicContact CD1-CD1 3.63Å; L324-F328 HydrophobicContact CD1-CE1 4.25Å; L324-F328 HydrophobicContact CD1-CG 4.24Å; L324-P329 WeakPolarHBondContact O-CD 3.37Å; L324-I400 HydrophobicContact CB-CG2 4.46Å; L324-I400 HydrophobicContact CD1-CG2 3.34Å; L324-I400 HydrophobicContact CG-CG2 4.49Å |
| 325 | V | 56 | Low | 62.7 | Low | 63 Ų | 63 | 52.6 Ų | 52.6 | 38% | 0.382 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -84.1 | -34.7 | -178.9 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | Y264 L267 Y271 R321 W323 P329 | Y264-V325 HydrophobicContact CD1-CG1 4.32Å; Y264-V325 HydrophobicContact CE1-CG1 3.68Å; L267-V325 HydrophobicContact CD2-CG1 4.41Å; Y271-V325 PolarHBondContact OH-O 3.22Å; R321-V325 PolarHBondContact O-N 3.48Å; W323-V325 VanDerWaalsContact C-N 3.3Å; W323-V325 PolarHBondContact O-N 3.1Å; V325-P329 WeakPolarHBondContact O-CG 3.3Å |
| 326 | E | 62.2 | Low | 62.8 | Low | 46 Ų | 46 | 49.8 Ų | 49.8 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -92 | -54.5 | -171.3 | -67.8 | -173.4 | 146.5 | 0 | 0 | 114.1 | R259 W323 Y330 | R259-E326 IonicContact CZ-OE1 2.83Å; R259-E326 IonicContact CZ-OE2 2.67Å; R259-E326 IonicContact NE-OE1 3.67Å; R259-E326 PolarHBondContact NE-OE1 3.22Å; R259-E326 IonicContact NH1-OE1 3.24Å; R259-E326 PolarHBondContact NH1-OE1 3.16Å; R259-E326 IonicContact NH1-OE2 3.56Å; R259-E326 PolarHBondContact NH1-OE2 3.36Å; R259-E326 IonicContact NH2-OE1 3.98Å; R259-E326 PolarHBondContact NH2-OE1 3.11Å; R259-E326 IonicContact NH2-OE2 3.48Å; R259-E326 PolarHBondContact NH2-OE2 3.25Å; W323-E326 PolarHBondContact O-N 3.06Å; E326-Y330 WeakPolarHBondContact O-CD2 3.1Å; E326-Y330 WeakPolarHBondContact O-CE2 3.44Å |
| 327 | L | 62.1 | Low | 63 | Low | 34 Ų | 34 | 44.8 Ų | 44.8 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -39.1 | -166.5 | -158.8 | 77.9 | 0 | 0 | 0 | 111.6 | W323 Y330 L331 F397 I537 | W323-L327 HydrophobicContact CE3-CB 3.93Å; W323-L327 HydrophobicContact CE3-CD2 3.74Å; W323-L327 HydrophobicContact CE3-CG 4.33Å; W323-L327 HydrophobicContact CZ3-CD1 4.42Å; W323-L327 HydrophobicContact CZ3-CD2 3.83Å; W323-L327 PolarHBondContact O-N 3.49Å; L327-Y330 PolarHBondContact O-N 3.38Å; L327-L331 PolarHBondContact O-N 3.33Å; L327-F397 HydrophobicContact CD2-CD2 3.8Å; L327-F397 HydrophobicContact CD2-CE2 3.45Å; L327-F397 VanDerWaalsContact CD2-CE2 3.45Å; L327-F397 HydrophobicContact CD2-CZ 4.17Å; L327-F397 HydrophobicContact CG-CE2 4.35Å; L327-I537 HydrophobicContact CD1-CG2 3.14Å; L327-I537 HydrophobicContact CG-CG2 4.33Å |
| 328 | F | 67.4 | Low | 63.6 | Low | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.022 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | -171.5 | 176.2 | -112 | 0 | 0 | 0 | 114 | L306 A309 W323 L324 Y330 L331 A332 I400 | L306-F328 HydrophobicContact CD2-CD1 3.51Å; L306-F328 HydrophobicContact CD2-CE1 3.14Å; L306-F328 HydrophobicContact CD2-CZ 3.86Å; A309-F328 HydrophobicContact CB-CE1 4.06Å; A309-F328 HydrophobicContact CB-CZ 4.32Å; W323-F328 PolarHBondContact O-N 3.46Å; L324-F328 HydrophobicContact CD1-CD1 3.63Å; L324-F328 HydrophobicContact CD1-CE1 4.25Å; L324-F328 HydrophobicContact CD1-CG 4.24Å; F328-Y330 VanDerWaalsContact C-N 3.27Å; F328-Y330 PolarHBondContact O-N 3.21Å; F328-L331 PolarHBondContact O-N 2.66Å; F328-L331 VanDerWaalsContact O-N 3.14Å; F328-A332 HydrophobicContact CE1-CB 4.49Å; F328-A332 HydrophobicContact CE2-CB 4.19Å; F328-A332 HydrophobicContact CZ-CB 3.93Å; F328-A332 WeakPolarHBondContact O-CB 2.95Å; F328-A332 PolarHBondContact O-N 3.49Å; F328-I400 HydrophobicContact CB-CG2 4.42Å; F328-I400 HydrophobicContact CD1-CG2 4.42Å; F328-I400 HydrophobicContact CD2-CG2 4.28Å; F328-I400 HydrophobicContact CG-CG2 4.09Å |
| 329 | P | 67 | Low | 64.5 | Low | 15 Ų | 15 | 35.4 Ų | 35.4 | 10% | 0.097 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62 | -34.7 | 176.5 | -24.6 | 36.8 | 0 | 0 | 0 | 113 | Y271 L306 L324 V325 L333 | Y271-P329 HydrophobicContact CE1-CB 3.83Å; Y271-P329 WeakPolarHBondContact OH-CB 3.27Å; Y271-P329 VanDerWaalsContact OH-CG 3.3Å; Y271-P329 WeakPolarHBondContact OH-CG 3.35Å; L306-P329 HydrophobicContact CD1-CB 3.69Å; L306-P329 HydrophobicContact CD1-CG 4.11Å; L306-P329 HydrophobicContact CD2-CB 4.31Å; L306-P329 HydrophobicContact CD2-CG 4.35Å; L324-P329 WeakPolarHBondContact O-CD 3.37Å; V325-P329 WeakPolarHBondContact O-CG 3.3Å; P329-L333 WeakPolarHBondContact O-CB 3.11Å; P329-L333 PolarHBondContact O-N 3.5Å |
| 330 | Y | 68.9 | Low | 66.1 | Low | 29 Ų | 29 | 32.6 Ų | 32.6 | 11% | 0.114 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.5 | -44.1 | 174.1 | -63.2 | -73.1 | 0 | 0 | 0 | 111.7 | L267 S270 Y271 E326 L327 F328 V334 I537 | L267-Y330 HydrophobicContact CD1-CD2 4.49Å; L267-Y330 HydrophobicContact CD1-CE2 3.38Å; L267-Y330 VanDerWaalsContact CD1-CZ 3.44Å; L267-Y330 WeakPolarHBondContact CD1-OH 3.12Å; S270-Y330 WeakPolarHBondContact CB-OH 2.99Å; S270-Y330 VanDerWaalsContact OG-CE1 3.3Å; S270-Y330 WeakPolarHBondContact OG-CE1 3.17Å; S270-Y330 VanDerWaalsContact OG-CZ 3.32Å; S270-Y330 PolarHBondContact OG-OH 2.78Å; Y271-Y330 HydrophobicContact CD1-CE1 4.3Å; Y271-Y330 HydrophobicContact CE1-CD1 4.1Å; Y271-Y330 AromaticContact CE1-CE1 3.93Å; Y271-Y330 HydrophobicContact CE1-CE1 3.93Å; Y271-Y330 HydrophobicContact CE1-CG 4.49Å; E326-Y330 WeakPolarHBondContact O-CD2 3.1Å; E326-Y330 WeakPolarHBondContact O-CE2 3.44Å; L327-Y330 PolarHBondContact O-N 3.38Å; F328-Y330 VanDerWaalsContact C-N 3.27Å; F328-Y330 PolarHBondContact O-N 3.21Å; Y330-V334 VanDerWaalsContact O-CB 3.27Å; Y330-V334 WeakPolarHBondContact O-CB 3.49Å; Y330-V334 WeakPolarHBondContact O-CG2 3.2Å; Y330-V334 PolarHBondContact O-N 3.36Å; Y330-I537 HydrophobicContact CD2-CD1 4.5Å; Y330-I537 HydrophobicContact CG-CD1 4.2Å |
| 331 | L | 69.7 | Low | 67.3 | Low | 57 Ų | 57 | 29.7 Ų | 29.7 | 30% | 0.298 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.5 | -50.1 | 177.7 | -177.8 | 67.4 | 0 | 0 | 0 | 111.1 | L327 F328 L333 V334 V335 F397 A401 | L327-L331 PolarHBondContact O-N 3.33Å; F328-L331 PolarHBondContact O-N 2.66Å; F328-L331 VanDerWaalsContact O-N 3.14Å; L331-L333 VanDerWaalsContact C-N 3.3Å; L331-L333 PolarHBondContact O-N 2.97Å; L331-V334 PolarHBondContact O-N 3.28Å; L331-V335 HydrophobicContact CD1-CG2 4.05Å; L331-V335 HydrophobicContact CG-CG2 4.43Å; L331-V335 WeakPolarHBondContact O-CB 3.49Å; L331-V335 VanDerWaalsContact O-CG2 3.3Å; L331-V335 WeakPolarHBondContact O-CG2 3.3Å; L331-V335 PolarHBondContact O-N 2.75Å; L331-F397 HydrophobicContact CD2-CE2 4.41Å; L331-F397 HydrophobicContact CD2-CZ 4.02Å; L331-A401 HydrophobicContact CD2-CB 3.82Å |
| 332 | A | 68.7 | Low | 68.4 | Low | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | L306 F328 G336 | L306-A332 HydrophobicContact CD2-CB 3.73Å; F328-A332 HydrophobicContact CE1-CB 4.49Å; F328-A332 HydrophobicContact CE2-CB 4.19Å; F328-A332 HydrophobicContact CZ-CB 3.93Å; F328-A332 WeakPolarHBondContact O-CB 2.95Å; F328-A332 PolarHBondContact O-N 3.49Å; A332-G336 WeakPolarHBondContact O-CA 3.39Å; A332-G336 PolarHBondContact O-N 2.8Å |
| 333 | L | 70.4 | Confident | 69.8 | Low | 13 Ų | 13 | 25.7 Ų | 25.7 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.2 | -46.8 | 175.7 | 164.8 | 95.2 | 0 | 0 | 0 | 112.8 | L274 L278 V302 P329 L331 G336 M337 | L274-L333 HydrophobicContact CD1-CD1 3.96Å; L274-L333 HydrophobicContact CD1-CD2 3.36Å; L274-L333 HydrophobicContact CD1-CG 3.83Å; L274-L333 HydrophobicContact CD2-CD1 3.37Å; L274-L333 HydrophobicContact CD2-CD2 2.91Å; L274-L333 HydrophobicContact CD2-CG 3.52Å; L274-L333 HydrophobicContact CG-CD1 3.71Å; L274-L333 HydrophobicContact CG-CD2 3.52Å; L274-L333 HydrophobicContact CG-CG 3.96Å; L278-L333 HydrophobicContact CD1-CD1 3.99Å; V302-L333 HydrophobicContact CG1-CB 4.08Å; V302-L333 HydrophobicContact CG1-CD1 4.38Å; P329-L333 WeakPolarHBondContact O-CB 3.11Å; P329-L333 PolarHBondContact O-N 3.5Å; L331-L333 VanDerWaalsContact C-N 3.3Å; L331-L333 PolarHBondContact O-N 2.97Å; L333-G336 PolarHBondContact O-N 3.41Å; L333-M337 WeakPolarHBondContact O-CA 3.34Å; L333-M337 WeakPolarHBondContact O-CB 3.23Å; L333-M337 PolarHBondContact O-N 3.3Å |
| 334 | V | 69.9 | Low | 70.9 | Confident | 28 Ų | 28 | 21.6 Ų | 21.6 | 17% | 0.17 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.6 | -47.1 | -176.7 | 167.9 | 0 | 0 | 0 | 0 | 109.9 | Y330 L331 E338 M530 V533 | Y330-V334 VanDerWaalsContact O-CB 3.27Å; Y330-V334 WeakPolarHBondContact O-CB 3.49Å; Y330-V334 WeakPolarHBondContact O-CG2 3.2Å; Y330-V334 PolarHBondContact O-N 3.36Å; L331-V334 PolarHBondContact O-N 3.28Å; V334-E338 PolarHBondContact O-N 2.87Å; V334-M530 HydrophobicContact CG1-CB 4.43Å; V334-M530 HydrophobicContact CG1-CE 3.38Å; V334-M530 HydrophobicContact CG1-CG 3.52Å; V334-M530 HydrophobicContact CG1-SD 3.99Å; V334-V533 HydrophobicContact CG2-CG1 4.47Å |
| 335 | V | 70.5 | Confident | 72 | Confident | 23 Ų | 23 | 28 Ų | 28 | 14% | 0.139 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.3 | -48.8 | 175 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | L331 M337 E338 N339 F405 | L331-V335 HydrophobicContact CD1-CG2 4.05Å; L331-V335 HydrophobicContact CG-CG2 4.43Å; L331-V335 WeakPolarHBondContact O-CB 3.49Å; L331-V335 VanDerWaalsContact O-CG2 3.3Å; L331-V335 WeakPolarHBondContact O-CG2 3.3Å; L331-V335 PolarHBondContact O-N 2.75Å; V335-M337 PolarHBondContact O-N 2.89Å; V335-E338 PolarHBondContact O-N 3.43Å; V335-N339 PolarHBondContact O-N 3.19Å; V335-F405 HydrophobicContact CG1-CD2 3.81Å; V335-F405 HydrophobicContact CG1-CE2 3.43Å; V335-F405 VanDerWaalsContact CG1-CE2 3.43Å; V335-F405 HydrophobicContact CG1-CZ 4.5Å; V335-F405 HydrophobicContact CG2-CE2 4.45Å |
| 336 | G | 73.9 | Confident | 73.2 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.3 | -33.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | A332 L333 N339 I340 D408 | A332-G336 WeakPolarHBondContact O-CA 3.39Å; A332-G336 PolarHBondContact O-N 2.8Å; L333-G336 PolarHBondContact O-N 3.41Å; G336-N339 PolarHBondContact O-N 2.74Å; G336-I340 VanDerWaalsContact O-CB 3.24Å; G336-I340 WeakPolarHBondContact O-CB 3.14Å; G336-I340 WeakPolarHBondContact O-CD1 3.43Å; G336-I340 WeakPolarHBondContact O-CG1 2.88Å; G336-I340 PolarHBondContact O-N 3.18Å; G336-D408 VanDerWaalsContact CA-OD2 3.32Å; G336-D408 WeakPolarHBondContact CA-OD2 3.45Å |
| 337 | M | 74.1 | Confident | 74 | Confident | 15 Ų | 15 | 23.1 Ų | 23.1 | 7% | 0.074 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 176.2 | 175.5 | 174.2 | 179.9 | 0 | 0 | 112.2 | Y277 L278 C281 L333 V335 N339 I340 L341 | Y277-M337 HydrophobicContact CD1-CE 3.38Å; Y277-M337 HydrophobicContact CD1-SD 3.8Å; Y277-M337 HydrophobicContact CE1-CE 3.09Å; Y277-M337 HydrophobicContact CE1-SD 3.68Å; L278-M337 HydrophobicContact CD2-CB 4.25Å; L278-M337 HydrophobicContact CD2-CE 3.61Å; L278-M337 HydrophobicContact CD2-CG 3.54Å; L278-M337 HydrophobicContact CD2-SD 3.42Å; L278-M337 WeakPolarHBondContact CD2-SD 3.33Å; L278-M337 HydrophobicContact CG-CE 4.12Å; L278-M337 HydrophobicContact CG-SD 3.86Å; C281-M337 HydrophobicContact CB-CE 4.09Å; L333-M337 WeakPolarHBondContact O-CA 3.34Å; L333-M337 WeakPolarHBondContact O-CB 3.23Å; L333-M337 PolarHBondContact O-N 3.3Å; V335-M337 PolarHBondContact O-N 2.89Å; M337-N339 VanDerWaalsContact C-N 3.31Å; M337-N339 PolarHBondContact O-N 3.4Å; M337-I340 PolarHBondContact O-N 3.38Å; M337-L341 HydrophobicContact CE-CD1 3.52Å; M337-L341 HydrophobicContact CE-CG 4.43Å; M337-L341 HydrophobicContact CG-CD1 3.97Å; M337-L341 HydrophobicContact CG-CG 4.27Å; M337-L341 WeakPolarHBondContact O-CB 3.43Å; M337-L341 WeakPolarHBondContact O-CG 3.46Å; M337-L341 PolarHBondContact O-N 3.28Å |
| 338 | E | 75.1 | Confident | 74.6 | Confident | 22 Ų | 22 | 22.2 Ų | 22.2 | 10% | 0.103 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.1 | -47.2 | 178.4 | -172.1 | -179.9 | 173.2 | 0 | 0 | 110.2 | V334 V335 L341 C342 | V334-E338 PolarHBondContact O-N 2.87Å; V335-E338 PolarHBondContact O-N 3.43Å; E338-L341 PolarHBondContact O-N 3.19Å; E338-C342 WeakPolarHBondContact O-CB 3.46Å; E338-C342 PolarHBondContact O-N 2.99Å |
| 339 | N | 82.1 | Confident | 74.6 | Confident | 17 Ų | 17 | 24.5 Ų | 24.5 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 179.2 | -67.9 | -17.6 | 0 | 0 | 0 | 112.1 | V335 G336 M337 L341 C342 M343 L371 Q412 | V335-N339 PolarHBondContact O-N 3.19Å; G336-N339 PolarHBondContact O-N 2.74Å; M337-N339 VanDerWaalsContact C-N 3.31Å; M337-N339 PolarHBondContact O-N 3.4Å; N339-L341 PolarHBondContact O-N 2.91Å; N339-C342 PolarHBondContact O-N 2.87Å; N339-M343 VanDerWaalsContact O-CB 3.23Å; N339-M343 WeakPolarHBondContact O-CB 3.38Å; N339-M343 PolarHBondContact O-N 3.41Å; N339-L371 HydrophobicContact CB-CD1 3.61Å; N339-L371 WeakPolarHBondContact ND2-CD1 3.47Å; N339-Q412 VanDerWaalsContact CB-OE1 3.32Å; N339-Q412 PolarHBondContact ND2-OE1 3.33Å |
| 340 | I | 82.2 | Confident | 74.9 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 177.6 | -78.5 | 166.5 | 0 | 0 | 0 | 111.4 | A298 T301 G336 M337 T344 Q412 Y416 | A298-I340 HydrophobicContact CB-CD1 4.38Å; A298-I340 HydrophobicContact CB-CG2 3.92Å; T301-I340 VanDerWaalsContact OG1-CD1 3.31Å; T301-I340 WeakPolarHBondContact OG1-CD1 3.4Å; G336-I340 VanDerWaalsContact O-CB 3.24Å; G336-I340 WeakPolarHBondContact O-CB 3.14Å; G336-I340 WeakPolarHBondContact O-CD1 3.43Å; G336-I340 WeakPolarHBondContact O-CG1 2.88Å; G336-I340 PolarHBondContact O-N 3.18Å; M337-I340 PolarHBondContact O-N 3.38Å; I340-T344 WeakPolarHBondContact O-CB 3.26Å; I340-T344 PolarHBondContact O-N 3.4Å; I340-T344 PolarHBondContact O-OG1 2.84Å; I340-Q412 HydrophobicContact CD1-CG 4.48Å; I340-Q412 HydrophobicContact CG1-CG 4.11Å; I340-Y416 HydrophobicContact CB-CE1 4.23Å; I340-Y416 HydrophobicContact CG1-CD1 4.1Å; I340-Y416 HydrophobicContact CG1-CE1 4.27Å; I340-Y416 HydrophobicContact CG1-CG 4.26Å; I340-Y416 HydrophobicContact CG2-CD1 4.3Å; I340-Y416 HydrophobicContact CG2-CE1 3.63Å; I340-Y416 HydrophobicContact CG2-CE2 3.91Å; I340-Y416 WeakPolarHBondContact CG2-OH 3.14Å |
| 341 | L | 77.1 | Confident | 74.9 | Confident | 27 Ų | 27 | 24.1 Ų | 24.1 | 14% | 0.141 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68 | -43.2 | -179.9 | -73.5 | 179.4 | 0 | 0 | 0 | 112 | C281 I285 M337 E338 N339 M343 T344 R345 | C281-L341 HydrophobicContact CB-CD1 4.23Å; C281-L341 HydrophobicContact CB-CD2 4.27Å; I285-L341 HydrophobicContact CD1-CD2 4.44Å; M337-L341 HydrophobicContact CE-CD1 3.52Å; M337-L341 HydrophobicContact CE-CG 4.43Å; M337-L341 HydrophobicContact CG-CD1 3.97Å; M337-L341 HydrophobicContact CG-CG 4.27Å; M337-L341 WeakPolarHBondContact O-CB 3.43Å; M337-L341 WeakPolarHBondContact O-CG 3.46Å; M337-L341 PolarHBondContact O-N 3.28Å; E338-L341 PolarHBondContact O-N 3.19Å; N339-L341 PolarHBondContact O-N 2.91Å; L341-M343 VanDerWaalsContact C-N 3.35Å; L341-T344 PolarHBondContact O-N 3.43Å; L341-R345 WeakPolarHBondContact O-CB 3.26Å; L341-R345 PolarHBondContact O-N 3.38Å |
| 342 | C | 76.4 | Confident | 74.9 | Confident | 22 Ų | 22 | 22.1 Ų | 22.1 | 15% | 0.149 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 176 | -83.3 | 0 | 0 | 0 | 0 | 111.3 | E338 N339 R345 S346 E367 | E338-C342 WeakPolarHBondContact O-CB 3.46Å; E338-C342 PolarHBondContact O-N 2.99Å; N339-C342 PolarHBondContact O-N 2.87Å; C342-R345 PolarHBondContact O-N 3.02Å; C342-S346 WeakPolarHBondContact O-CB 3.43Å; C342-S346 PolarHBondContact O-N 3.45Å; C342-S346 PolarHBondContact O-OG 2.91Å; C342-E367 HydrophobicContact CB-CG 3.95Å |
| 343 | M | 81.9 | Confident | 74.8 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 176.5 | 178.4 | 177 | 166 | 0 | 0 | 112.5 | N339 L341 R345 S346 V347 L364 Y416 A417 L420 | N339-M343 VanDerWaalsContact O-CB 3.23Å; N339-M343 WeakPolarHBondContact O-CB 3.38Å; N339-M343 PolarHBondContact O-N 3.41Å; L341-M343 VanDerWaalsContact C-N 3.35Å; M343-R345 VanDerWaalsContact C-N 3.34Å; M343-R345 PolarHBondContact O-N 3.15Å; M343-S346 PolarHBondContact O-N 3.38Å; M343-S346 PolarHBondContact O-OG 3.31Å; M343-V347 VanDerWaalsContact O-CG2 3.29Å; M343-V347 WeakPolarHBondContact O-CG2 3.42Å; M343-V347 PolarHBondContact O-N 3.07Å; M343-V347 VanDerWaalsContact O-N 3.08Å; M343-L364 HydrophobicContact CE-CD1 4.21Å; M343-L364 HydrophobicContact CE-CD2 3.28Å; M343-L364 HydrophobicContact CE-CG 3.86Å; M343-L364 HydrophobicContact CG-CD2 3.95Å; M343-L364 HydrophobicContact SD-CD2 3.61Å; M343-Y416 HydrophobicContact CE-CD1 4.4Å; M343-Y416 HydrophobicContact SD-CD1 4.13Å; M343-A417 VanDerWaalsContact CE-CA 3.47Å; M343-A417 HydrophobicContact CE-CB 3.36Å; M343-L420 HydrophobicContact CE-CD2 4.19Å |
| 344 | T | 79.5 | Confident | 74.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 177.4 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | I285 L294 I340 L341 V348 Y416 L420 | I285-T344 HydrophobicContact CD1-CG2 3.96Å; L294-T344 HydrophobicContact CD1-CG2 3.98Å; L294-T344 HydrophobicContact CD2-CG2 3.81Å; I340-T344 WeakPolarHBondContact O-CB 3.26Å; I340-T344 PolarHBondContact O-N 3.4Å; I340-T344 PolarHBondContact O-OG1 2.84Å; L341-T344 PolarHBondContact O-N 3.43Å; T344-V348 HydrophobicContact CG2-CG2 4.21Å; T344-V348 WeakPolarHBondContact O-CB 3.47Å; T344-V348 WeakPolarHBondContact O-CG2 3.33Å; T344-V348 PolarHBondContact O-N 3.05Å; T344-Y416 WeakPolarHBondContact OG1-CE1 3.39Å; T344-Y416 PolarHBondContact OG1-OH 3.33Å; T344-L420 HydrophobicContact CG2-CD1 4.21Å |
| 345 | R | 77.8 | Confident | 75.3 | Confident | 159 Ų | 159 | 35.1 Ų | 35.1 | 60% | 0.6 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -63.3 | -43.8 | 178.2 | -177.6 | 179.5 | 175.3 | 160.7 | -0.5 | 111.9 | L341 C342 M343 V348 S349 | L341-R345 WeakPolarHBondContact O-CB 3.26Å; L341-R345 PolarHBondContact O-N 3.38Å; C342-R345 PolarHBondContact O-N 3.02Å; M343-R345 VanDerWaalsContact C-N 3.34Å; M343-R345 PolarHBondContact O-N 3.15Å; R345-V348 PolarHBondContact O-N 3.42Å; R345-S349 WeakPolarHBondContact O-CB 3.14Å; R345-S349 PolarHBondContact O-N 2.93Å; R345-S349 PolarHBondContact O-OG 2.9Å |
| 346 | S | 79.7 | Confident | 75.7 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | -179.3 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | C342 M343 S349 T350 G363 | C342-S346 WeakPolarHBondContact O-CB 3.43Å; C342-S346 PolarHBondContact O-N 3.45Å; C342-S346 PolarHBondContact O-OG 2.91Å; M343-S346 PolarHBondContact O-N 3.38Å; M343-S346 PolarHBondContact O-OG 3.31Å; S346-S349 PolarHBondContact O-N 3.37Å; S346-S349 PolarHBondContact O-OG 3.05Å; S346-T350 PolarHBondContact O-N 2.93Å; S346-G363 WeakPolarHBondContact CB-O 3.14Å; S346-G363 PolarHBondContact OG-O 3.4Å |
| 347 | V | 80.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.2 | -42.8 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | M343 S349 T350 V360 L420 L424 | M343-V347 VanDerWaalsContact O-CG2 3.29Å; M343-V347 WeakPolarHBondContact O-CG2 3.42Å; M343-V347 PolarHBondContact O-N 3.07Å; M343-V347 VanDerWaalsContact O-N 3.08Å; V347-S349 VanDerWaalsContact C-N 3.28Å; V347-S349 PolarHBondContact O-N 3.48Å; V347-T350 WeakPolarHBondContact O-CB 3.48Å; V347-T350 PolarHBondContact O-N 3.33Å; V347-T350 PolarHBondContact O-OG1 2.89Å; V347-V360 HydrophobicContact CG1-CB 4.45Å; V347-V360 HydrophobicContact CG1-CG2 3.99Å; V347-L420 HydrophobicContact CB-CD2 3.89Å; V347-L420 HydrophobicContact CG1-CD2 4.06Å; V347-L420 HydrophobicContact CG1-CG 4.49Å; V347-L420 HydrophobicContact CG2-CD2 3.85Å; V347-L424 HydrophobicContact CG1-CD1 3.32Å |
| 348 | V | 74.1 | Confident | 76.4 | Confident | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.085 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.1 | -28.6 | 176.6 | 170 | 0 | 0 | 0 | 0 | 111.9 | I285 M287 T344 R345 T350 R439 | I285-V348 HydrophobicContact CG2-CG1 4.23Å; I285-V348 HydrophobicContact CG2-CG2 4.32Å; M287-V348 HydrophobicContact CB-CG1 3.42Å; M287-V348 VanDerWaalsContact CB-CG1 3.42Å; M287-V348 HydrophobicContact CG-CG1 4.29Å; M287-V348 HydrophobicContact SD-CG1 4.06Å; T344-V348 HydrophobicContact CG2-CG2 4.21Å; T344-V348 WeakPolarHBondContact O-CB 3.47Å; T344-V348 WeakPolarHBondContact O-CG2 3.33Å; T344-V348 PolarHBondContact O-N 3.05Å; R345-V348 PolarHBondContact O-N 3.42Å; V348-T350 VanDerWaalsContact C-N 3.26Å; V348-T350 PolarHBondContact O-N 2.9Å; V348-R439 PolarHBondContact O-NH2 2.81Å |
| 349 | S | 68.6 | Low | 76.7 | Confident | 53 Ų | 53 | 36.3 Ų | 36.3 | 37% | 0.371 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -69.4 | -23.6 | 177.9 | 73.6 | 0 | 0 | 0 | 0 | 113.1 | R345 S346 V347 R439 | R345-S349 WeakPolarHBondContact O-CB 3.14Å; R345-S349 PolarHBondContact O-N 2.93Å; R345-S349 PolarHBondContact O-OG 2.9Å; S346-S349 PolarHBondContact O-N 3.37Å; S346-S349 PolarHBondContact O-OG 3.05Å; V347-S349 VanDerWaalsContact C-N 3.28Å; V347-S349 PolarHBondContact O-N 3.48Å; S349-R439 PolarHBondContact O-NH1 3.3Å |
| 350 | T | 72.7 | Confident | 76.8 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -60.1 | 147.7 | 177.1 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | S346 V347 V348 R359 H362 L447 | S346-T350 PolarHBondContact O-N 2.93Å; V347-T350 WeakPolarHBondContact O-CB 3.48Å; V347-T350 PolarHBondContact O-N 3.33Å; V347-T350 PolarHBondContact O-OG1 2.89Å; V348-T350 VanDerWaalsContact C-N 3.26Å; V348-T350 PolarHBondContact O-N 2.9Å; T350-R359 WeakPolarHBondContact OG1-CB 3.29Å; T350-R359 WeakPolarHBondContact OG1-CG 3.49Å; T350-R359 PolarHBondContact OG1-NE 2.97Å; T350-H362 HydrophobicContact CG2-CB 4.04Å; T350-L447 HydrophobicContact CG2-CD2 4.45Å |
| 351 | P | 68.8 | Low | 76.9 | Confident | 36 Ų | 36 | 35.3 Ų | 35.3 | 23% | 0.234 | 18% | 0.184 | C | C | . | . | trans | -66.1 | 142.8 | -178.3 | 29.6 | -37.8 | 0 | 0 | 0 | 111.4 | Q353 L354 L447 | P351-Q353 PolarHBondContact O-N 3.5Å; P351-L354 HydrophobicContact CG-CD1 3.69Å; P351-L354 HydrophobicContact CG-CG 4.02Å; P351-L354 PolarHBondContact O-N 3.39Å; P351-L447 HydrophobicContact CG-CD1 3.33Å | ||
| 352 | T | 68.7 | Low | 77.1 | Confident | 15 Ų | 15 | 34.4 Ų | 34.4 | 9% | 0.092 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -13.3 | -179 | 36.8 | 0 | 0 | 0 | 0 | 114.2 | M287 L354 L435 N436 | M287-T352 HydrophobicContact CE-CG2 3.98Å; M287-T352 HydrophobicContact SD-CG2 4.21Å; T352-L354 VanDerWaalsContact C-N 3.28Å; T352-L435 HydrophobicContact CG2-CB 4.06Å; T352-L435 HydrophobicContact CG2-CD1 4.13Å; T352-N436 WeakPolarHBondContact CB-OD1 3.24Å; T352-N436 PolarHBondContact OG1-OD1 3.37Å |
| 353 | Q | 66.7 | Low | 77.3 | Confident | 172 Ų | 172 | 33.4 Ų | 33.4 | 80% | 0.804 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26 | 175.1 | -62.5 | 171.5 | 3.2 | 0 | 0 | 112.6 | P351 | P351-Q353 PolarHBondContact O-N 3.5Š|
| 354 | L | 71.9 | Confident | 77.4 | Confident | 64 Ų | 64 | 33.3 Ų | 33.3 | 34% | 0.335 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -75.6 | 147.7 | 179.3 | -73.4 | 175.9 | 0 | 0 | 0 | 111.4 | P351 T352 S358 R359 L447 | P351-L354 HydrophobicContact CG-CD1 3.69Å; P351-L354 HydrophobicContact CG-CG 4.02Å; P351-L354 PolarHBondContact O-N 3.39Å; T352-L354 VanDerWaalsContact C-N 3.28Å; L354-S358 WeakPolarHBondContact CB-OG 3.5Å; L354-R359 HydrophobicContact CB-CG 3.72Å; L354-R359 WeakPolarHBondContact O-CD 3.38Å; L354-L447 HydrophobicContact CD1-CD1 4.47Å |
| 355 | D | 78.6 | Confident | 77.4 | Confident | 81 Ų | 81 | 33.3 Ų | 33.3 | 43% | 0.433 | 17% | 0.172 | S | C | . | . | trans | -60 | 149.9 | 171.8 | 63.3 | -58.8 | 0 | 0 | 0 | 111.1 | C357 S358 R359 | D355-C357 PolarHBondContact O-N 3.25Å; D355-C357 VanDerWaalsContact O-N 3.14Å; D355-C357 WeakPolarHBondContact OD2-CB 3.09Å; D355-S358 VanDerWaalsContact CG-OG 3.31Å; D355-S358 PolarHBondContact N-OG 3.4Å; D355-S358 PolarHBondContact O-N 2.74Å; D355-S358 PolarHBondContact O-OG 2.97Å; D355-S358 WeakPolarHBondContact OD1-CB 3.26Å; D355-S358 PolarHBondContact OD1-OG 3.48Å; D355-S358 PolarHBondContact OD2-N 2.98Å; D355-R359 WeakPolarHBondContact O-CG 3.16Å; D355-R359 PolarHBondContact O-N 2.94Å | ||
| 356 | V | 78.9 | Confident | 77.5 | Confident | 26 Ų | 26 | 29.1 Ų | 29.1 | 16% | 0.158 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54.3 | -39.6 | -177 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | R359 V360 L424 A425 | V356-R359 PolarHBondContact O-N 3.47Å; V356-V360 WeakPolarHBondContact O-CG2 3.45Å; V356-V360 PolarHBondContact O-N 2.88Å; V356-V360 VanDerWaalsContact O-N 3.12Å; V356-L424 HydrophobicContact CG1-CB 3.71Å; V356-A425 HydrophobicContact CG1-CB 4.3Å |
| 357 | C | 83.1 | Confident | 77.5 | Confident | 46 Ų | 46 | 30.3 Ų | 30.3 | 31% | 0.311 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.3 | -42 | 179.3 | -55.8 | 0 | 0 | 0 | 0 | 112.5 | C24 D355 A361 | C24-C357 HydrophobicContact CB-CB 3.63Å; C24-C357 WeakPolarHBondContact CB-SG 3.18Å; D355-C357 PolarHBondContact O-N 3.25Å; D355-C357 VanDerWaalsContact O-N 3.14Å; D355-C357 WeakPolarHBondContact OD2-CB 3.09Å; C357-A361 VanDerWaalsContact O-CB 3.3Å; C357-A361 WeakPolarHBondContact O-CB 3.21Å; C357-A361 PolarHBondContact O-N 3.34Å; C357-A361 VanDerWaalsContact O-N 3.14Å |
| 358 | S | 81 | Confident | 77.5 | Confident | 7 Ų | 7 | 30.4 Ų | 30.4 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75.2 | -30.6 | 177.1 | 69 | 0 | 0 | 0 | 0 | 113 | L354 D355 A361 H362 | L354-S358 WeakPolarHBondContact CB-OG 3.5Å; D355-S358 VanDerWaalsContact CG-OG 3.31Å; D355-S358 PolarHBondContact N-OG 3.4Å; D355-S358 PolarHBondContact O-N 2.74Å; D355-S358 PolarHBondContact O-OG 2.97Å; D355-S358 WeakPolarHBondContact OD1-CB 3.26Å; D355-S358 PolarHBondContact OD1-OG 3.48Å; D355-S358 PolarHBondContact OD2-N 2.98Å; S358-A361 PolarHBondContact O-N 2.95Å; S358-H362 WeakPolarHBondContact O-CB 3.09Å; S358-H362 PolarHBondContact O-N 3.44Å |
| 359 | R | 80.9 | Confident | 77.9 | Confident | 6 Ų | 6 | 33 Ų | 33 | 2% | 0.023 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.9 | -50.1 | 173.1 | -71.6 | 179.9 | 66.2 | -162.4 | 1.5 | 111.8 | T350 L354 D355 V356 H362 G363 | T350-R359 WeakPolarHBondContact OG1-CB 3.29Å; T350-R359 WeakPolarHBondContact OG1-CG 3.49Å; T350-R359 PolarHBondContact OG1-NE 2.97Å; L354-R359 HydrophobicContact CB-CG 3.72Å; L354-R359 WeakPolarHBondContact O-CD 3.38Å; D355-R359 WeakPolarHBondContact O-CG 3.16Å; D355-R359 PolarHBondContact O-N 2.94Å; V356-R359 PolarHBondContact O-N 3.47Å; R359-H362 PolarHBondContact O-N 3Å; R359-G363 PolarHBondContact O-N 3.33Å |
| 360 | V | 83.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | C24 V347 V356 H362 L364 A421 L424 | C24-V360 WeakPolarHBondContact SG-CB 3.31Å; V347-V360 HydrophobicContact CG1-CB 4.45Å; V347-V360 HydrophobicContact CG1-CG2 3.99Å; V356-V360 WeakPolarHBondContact O-CG2 3.45Å; V356-V360 PolarHBondContact O-N 2.88Å; V356-V360 VanDerWaalsContact O-N 3.12Å; V360-H362 VanDerWaalsContact C-N 3.34Å; V360-H362 PolarHBondContact O-N 3.08Å; V360-L364 HydrophobicContact CG1-CD1 3.85Å; V360-L364 HydrophobicContact CG1-CG 4.48Å; V360-L364 VanDerWaalsContact O-CB 3.27Å; V360-L364 WeakPolarHBondContact O-CB 3.31Å; V360-L364 WeakPolarHBondContact O-CG 3.36Å; V360-L364 PolarHBondContact O-N 3.18Å; V360-A421 HydrophobicContact CG1-CB 4.45Å; V360-A421 HydrophobicContact CG2-CB 3.91Å; V360-L424 HydrophobicContact CG2-CD1 3.7Å |
| 361 | A | 83.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.4 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y17 R21 C357 S358 G365 | Y17-A361 WeakPolarHBondContact CA-O 3.24Å; Y17-A361 VanDerWaalsContact CD2-C 3.45Å; Y17-A361 HydrophobicContact CD2-CB 3.56Å; Y17-A361 WeakPolarHBondContact CD2-O 3.25Å; Y17-A361 HydrophobicContact CE2-CB 3.59Å; Y17-A361 HydrophobicContact CG-CB 4.11Å; Y17-A361 VanDerWaalsContact O-CB 3.32Å; Y17-A361 WeakPolarHBondContact O-CB 3.44Å; R21-A361 HydrophobicContact CB-CB 4.44Å; R21-A361 HydrophobicContact CG-CB 3.57Å; C357-A361 VanDerWaalsContact O-CB 3.3Å; C357-A361 WeakPolarHBondContact O-CB 3.21Å; C357-A361 PolarHBondContact O-N 3.34Å; C357-A361 VanDerWaalsContact O-N 3.14Å; S358-A361 PolarHBondContact O-N 2.95Å; A361-G365 PolarHBondContact O-N 3.32Å |
| 362 | H | 81.4 | Confident | 79.5 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.9 | -45.6 | -179 | -166.3 | -74.7 | 0 | 0 | 0 | 112 | T350 S358 R359 V360 L364 G365 I366 L447 P448 Y450 | T350-H362 HydrophobicContact CG2-CB 4.04Å; S358-H362 WeakPolarHBondContact O-CB 3.09Å; S358-H362 PolarHBondContact O-N 3.44Å; R359-H362 PolarHBondContact O-N 3Å; V360-H362 VanDerWaalsContact C-N 3.34Å; V360-H362 PolarHBondContact O-N 3.08Å; H362-L364 PolarHBondContact O-N 3.48Å; H362-G365 PolarHBondContact O-N 2.91Å; H362-G365 VanDerWaalsContact O-N 3.1Å; H362-I366 WeakPolarHBondContact CE1-CD1 3.07Å; H362-I366 VanDerWaalsContact ND1-CD1 3.29Å; H362-I366 WeakPolarHBondContact ND1-CD1 3.09Å; H362-I366 WeakPolarHBondContact O-CG1 3.49Å; H362-I366 PolarHBondContact O-N 2.71Å; H362-L447 WeakPolarHBondContact CE1-CD2 3.32Å; H362-L447 VanDerWaalsContact ND1-CD2 3.25Å; H362-L447 WeakPolarHBondContact ND1-CD2 3.42Å; H362-L447 WeakPolarHBondContact NE2-CB 3.33Å; H362-P448 PolarHBondContact CD2-O 2.77Å; H362-P448 VanDerWaalsContact CE1-CD 3.48Å; H362-P448 WeakPolarHBondContact CE1-CD 3.37Å; H362-P448 VanDerWaalsContact NE2-CD 3.32Å; H362-P448 WeakPolarHBondContact NE2-CD 3.33Å; H362-P448 WeakPolarHBondContact NE2-CG 3.22Å; H362-P448 PolarHBondContact NE2-O 3.24Å; H362-Y450 AromaticContact CD2-CD2 3.82Å; H362-Y450 AromaticContact CD2-CE2 3.62Å; H362-Y450 AromaticContact NE2-CE2 3.68Å |
| 363 | G | 81.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.3 | -40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S346 R359 G365 E367 | S346-G363 WeakPolarHBondContact CB-O 3.14Å; S346-G363 PolarHBondContact OG-O 3.4Å; R359-G363 PolarHBondContact O-N 3.33Å; G363-G365 VanDerWaalsContact C-N 3.35Å; G363-E367 PolarHBondContact O-N 3.19Å |
| 364 | L | 83.2 | Confident | 80.6 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | 171.8 | -83.2 | 173.1 | 0 | 0 | 0 | 112.3 | Y16 M343 V360 H362 G368 A417 | Y16-L364 VanDerWaalsContact CB-O 3.31Å; Y16-L364 WeakPolarHBondContact CB-O 3.2Å; Y16-L364 HydrophobicContact CD1-CD2 4.38Å; M343-L364 HydrophobicContact CE-CD1 4.21Å; M343-L364 HydrophobicContact CE-CD2 3.28Å; M343-L364 HydrophobicContact CE-CG 3.86Å; M343-L364 HydrophobicContact CG-CD2 3.95Å; M343-L364 HydrophobicContact SD-CD2 3.61Å; V360-L364 HydrophobicContact CG1-CD1 3.85Å; V360-L364 HydrophobicContact CG1-CG 4.48Å; V360-L364 VanDerWaalsContact O-CB 3.27Å; V360-L364 WeakPolarHBondContact O-CB 3.31Å; V360-L364 WeakPolarHBondContact O-CG 3.36Å; V360-L364 PolarHBondContact O-N 3.18Å; H362-L364 PolarHBondContact O-N 3.48Å; L364-G368 VanDerWaalsContact O-CA 3.3Å; L364-G368 WeakPolarHBondContact O-CA 3.38Å; L364-G368 PolarHBondContact O-N 3.43Å; L364-A417 HydrophobicContact CD1-CB 4.21Å |
| 365 | G | 80.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A13 A361 H362 G363 E367 G368 | A13-G365 VanDerWaalsContact CA-O 3.25Å; A13-G365 WeakPolarHBondContact CA-O 3.42Å; A13-G365 WeakPolarHBondContact CB-O 3.3Å; A13-G365 WeakPolarHBondContact O-CA 3.41Å; A361-G365 PolarHBondContact O-N 3.32Å; H362-G365 PolarHBondContact O-N 2.91Å; H362-G365 VanDerWaalsContact O-N 3.1Å; G363-G365 VanDerWaalsContact C-N 3.35Å; G365-E367 PolarHBondContact O-N 3.32Å; G365-G368 PolarHBondContact O-N 3.33Å |
| 366 | I | 78.8 | Confident | 81.3 | Confident | 72 Ų | 72 | 24.9 Ų | 24.9 | 37% | 0.369 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 178.6 | -64.9 | 160.7 | 0 | 0 | 0 | 111.3 | H362 | H362-I366 WeakPolarHBondContact CE1-CD1 3.07Å; H362-I366 VanDerWaalsContact ND1-CD1 3.29Å; H362-I366 WeakPolarHBondContact ND1-CD1 3.09Å; H362-I366 WeakPolarHBondContact O-CG1 3.49Å; H362-I366 PolarHBondContact O-N 2.71Å |
| 367 | E | 81.1 | Confident | 81.3 | Confident | 32 Ų | 32 | 27 Ų | 27 | 15% | 0.15 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -89.6 | -5.1 | -174.1 | -152.3 | 62.8 | -150.3 | 0 | 0 | 112.9 | C342 G363 G365 W369 S370 L371 R523 | C342-E367 HydrophobicContact CB-CG 3.95Å; G363-E367 PolarHBondContact O-N 3.19Å; G365-E367 PolarHBondContact O-N 3.32Å; E367-W369 VanDerWaalsContact C-N 3.34Å; E367-W369 PolarHBondContact O-N 2.88Å; E367-S370 WeakPolarHBondContact CG-OG 3.34Å; E367-S370 PolarHBondContact O-N 3.3Å; E367-S370 PolarHBondContact O-OG 2.89Å; E367-S370 PolarHBondContact OE1-OG 3.32Å; E367-L371 VanDerWaalsContact O-CB 3.28Å; E367-L371 WeakPolarHBondContact O-CB 3.41Å; E367-L371 PolarHBondContact O-N 3.14Å; E367-R523 IonicContact OE1-CZ 2.71Å; E367-R523 IonicContact OE1-NH2 3.21Å; E367-R523 PolarHBondContact OE1-NH2 3.47Å |
| 368 | G | 80.1 | Confident | 81.1 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.2 | -40 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V12 Y16 L364 G365 T372 | V12-G368 WeakPolarHBondContact CG1-O 3.3Å; Y16-G368 VanDerWaalsContact CE2-O 3.3Å; Y16-G368 WeakPolarHBondContact CE2-O 3.14Å; L364-G368 VanDerWaalsContact O-CA 3.3Å; L364-G368 WeakPolarHBondContact O-CA 3.38Å; L364-G368 PolarHBondContact O-N 3.43Å; G365-G368 PolarHBondContact O-N 3.33Å; G368-T372 WeakPolarHBondContact O-CB 3.25Å; G368-T372 PolarHBondContact O-N 2.82Å; G368-T372 PolarHBondContact O-OG1 2.93Å |
| 369 | W | 81.3 | Confident | 81.2 | Confident | 70 Ų | 70 | 29 Ų | 29 | 27% | 0.265 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -69.4 | -43.6 | 177.6 | 175.6 | -117.5 | 0 | 0 | 0 | 113 | L8 A9 V12 E367 L371 K373 | L8-W369 HydrophobicContact CB-CH2 4.15Å; L8-W369 HydrophobicContact CB-CZ3 4.11Å; L8-W369 HydrophobicContact CD2-CH2 3.47Å; L8-W369 VanDerWaalsContact CD2-CH2 3.47Å; L8-W369 HydrophobicContact CD2-CZ3 3.6Å; L8-W369 HydrophobicContact CG-CE3 4.48Å; L8-W369 HydrophobicContact CG-CH2 3.81Å; L8-W369 HydrophobicContact CG-CZ3 3.52Å; A9-W369 VanDerWaalsContact CA-CD2 3.4Å; A9-W369 HydrophobicContact CB-CB 3.81Å; A9-W369 VanDerWaalsContact CB-CD1 3.4Å; A9-W369 HydrophobicContact CB-CD2 3.48Å; A9-W369 VanDerWaalsContact CB-CD2 3.48Å; A9-W369 HydrophobicContact CB-CE3 4.17Å; A9-W369 HydrophobicContact CB-CG 3.27Å; V12-W369 HydrophobicContact CB-CE3 4.01Å; V12-W369 HydrophobicContact CG1-CE3 4.32Å; V12-W369 HydrophobicContact CG2-CE3 3.94Å; V12-W369 HydrophobicContact CG2-CZ3 4.15Å; E367-W369 VanDerWaalsContact C-N 3.34Å; E367-W369 PolarHBondContact O-N 2.88Å; W369-L371 VanDerWaalsContact C-N 3.33Å; W369-K373 WeakPolarHBondContact O-CB 3.32Å; W369-K373 PolarHBondContact O-N 2.94Å |
| 370 | S | 79.4 | Confident | 81.3 | Confident | 18 Ų | 18 | 34.1 Ų | 34.1 | 13% | 0.126 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 177.2 | 43.8 | 0 | 0 | 0 | 0 | 111.1 | E367 K373 N374 | E367-S370 WeakPolarHBondContact CG-OG 3.34Å; E367-S370 PolarHBondContact O-N 3.3Å; E367-S370 PolarHBondContact O-OG 2.89Å; E367-S370 PolarHBondContact OE1-OG 3.32Å; S370-K373 PolarHBondContact O-N 3.26Å; S370-N374 WeakPolarHBondContact O-CB 3.2Å; S370-N374 VanDerWaalsContact O-CG 3.26Å; S370-N374 PolarHBondContact O-N 3.47Å; S370-N374 PolarHBondContact O-OD1 2.96Å |
| 371 | L | 82 | Confident | 81.2 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.2 | -51 | 176.9 | -176.1 | 61.7 | 0 | 0 | 0 | 111.9 | Y16 N339 E367 W369 K373 N374 F375 F409 | Y16-L371 HydrophobicContact CE1-CD2 3.82Å; N339-L371 HydrophobicContact CB-CD1 3.61Å; N339-L371 WeakPolarHBondContact ND2-CD1 3.47Å; E367-L371 VanDerWaalsContact O-CB 3.28Å; E367-L371 WeakPolarHBondContact O-CB 3.41Å; E367-L371 PolarHBondContact O-N 3.14Å; W369-L371 VanDerWaalsContact C-N 3.33Å; L371-K373 VanDerWaalsContact C-N 3.32Å; L371-K373 PolarHBondContact O-N 2.83Å; L371-N374 PolarHBondContact O-N 3.46Å; L371-F375 WeakPolarHBondContact O-CB 3.31Å; L371-F375 PolarHBondContact O-N 3.31Å; L371-F409 HydrophobicContact CD2-CE2 4.24Å; L371-F409 HydrophobicContact CG-CD2 4.41Å; L371-F409 HydrophobicContact CG-CE2 4.02Å |
| 372 | T | 82.1 | Confident | 81.2 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 177 | -65 | 0 | 0 | 0 | 0 | 111.9 | V12 Y16 G368 F375 C376 | V12-T372 HydrophobicContact CG1-CG2 4.49Å; Y16-T372 WeakPolarHBondContact CE2-OG1 3.11Å; Y16-T372 PolarHBondContact OH-OG1 3.4Å; G368-T372 WeakPolarHBondContact O-CB 3.25Å; G368-T372 PolarHBondContact O-N 2.82Å; G368-T372 PolarHBondContact O-OG1 2.93Å; T372-F375 WeakPolarHBondContact O-CB 3.45Å; T372-F375 PolarHBondContact O-N 3.4Å; T372-C376 WeakPolarHBondContact O-CB 3.11Å; T372-C376 PolarHBondContact O-N 3.28Å; T372-C376 PolarHBondContact O-SG 3.39Å |
| 373 | K | 78.8 | Confident | 81.1 | Confident | 111 Ų | 111 | 41 Ų | 41 | 48% | 0.483 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.4 | -48.7 | 176.7 | -177.5 | -175.9 | 174.9 | -171.3 | 0 | 111.1 | W369 S370 L371 F375 C376 T377 | W369-K373 WeakPolarHBondContact O-CB 3.32Å; W369-K373 PolarHBondContact O-N 2.94Å; S370-K373 PolarHBondContact O-N 3.26Å; L371-K373 VanDerWaalsContact C-N 3.32Å; L371-K373 PolarHBondContact O-N 2.83Å; K373-F375 VanDerWaalsContact C-N 3.25Å; K373-F375 PolarHBondContact O-N 2.84Å; K373-C376 PolarHBondContact O-N 2.77Å; K373-T377 HydrophobicContact CG-CG2 4.43Å; K373-T377 WeakPolarHBondContact O-CG2 3.22Å; K373-T377 PolarHBondContact O-N 2.96Å; K373-T377 PolarHBondContact O-OG1 3.26Å |
| 374 | N | 79.4 | Confident | 81 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.3 | -43.6 | 176.8 | -76.3 | -2.7 | 0 | 0 | 0 | 110.5 | S370 L371 T377 G378 | S370-N374 WeakPolarHBondContact O-CB 3.2Å; S370-N374 VanDerWaalsContact O-CG 3.26Å; S370-N374 PolarHBondContact O-N 3.47Å; S370-N374 PolarHBondContact O-OD1 2.96Å; L371-N374 PolarHBondContact O-N 3.46Å; N374-T377 WeakPolarHBondContact CA-OG1 3Å; N374-T377 PolarHBondContact O-OG1 2.82Å; N374-G378 PolarHBondContact O-N 2.99Å |
| 375 | F | 83.4 | Confident | 80.7 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.6 | -56.4 | 174.7 | -177.6 | -98.5 | 0 | 0 | 0 | 112.2 | L371 T372 K373 T377 G378 F379 F405 V406 F409 F677 | L371-F375 WeakPolarHBondContact O-CB 3.31Å; L371-F375 PolarHBondContact O-N 3.31Å; T372-F375 WeakPolarHBondContact O-CB 3.45Å; T372-F375 PolarHBondContact O-N 3.4Å; K373-F375 VanDerWaalsContact C-N 3.25Å; K373-F375 PolarHBondContact O-N 2.84Å; F375-T377 VanDerWaalsContact C-N 3.32Å; F375-T377 PolarHBondContact O-N 3.18Å; F375-G378 PolarHBondContact O-N 3.26Å; F375-F379 HydrophobicContact CZ-CD2 4.36Å; F375-F379 WeakPolarHBondContact O-CB 3.27Å; F375-F379 PolarHBondContact O-N 3.26Å; F375-F405 HydrophobicContact CB-CE1 4.17Å; F375-F405 HydrophobicContact CB-CZ 4.49Å; F375-F405 AromaticContact CD2-CD1 3.56Å; F375-F405 HydrophobicContact CD2-CD1 3.56Å; F375-F405 AromaticContact CD2-CE1 3.17Å; F375-F405 HydrophobicContact CD2-CE1 3.17Å; F375-F405 HydrophobicContact CD2-CZ 4.07Å; F375-F405 AromaticContact CE2-CD1 3.52Å; F375-F405 HydrophobicContact CE2-CD1 3.52Å; F375-F405 AromaticContact CE2-CE1 3.62Å; F375-F405 HydrophobicContact CE2-CE1 3.62Å; F375-F405 AromaticContact CG-CE1 3.82Å; F375-F405 HydrophobicContact CG-CE1 3.82Å; F375-F405 HydrophobicContact CZ-CD1 4.49Å; F375-F405 WeakPolarHBondContact O-CE1 3.47Å; F375-V406 HydrophobicContact CE2-CG2 4.32Å; F375-V406 HydrophobicContact CZ-CG2 4.06Å; F375-F409 HydrophobicContact CB-CD2 4.1Å; F375-F409 HydrophobicContact CB-CE2 4.22Å; F375-F409 HydrophobicContact CD2-CB 3.59Å; F375-F409 HydrophobicContact CD2-CD1 4.21Å; F375-F409 AromaticContact CD2-CD2 3.77Å; F375-F409 HydrophobicContact CD2-CD2 3.77Å; F375-F409 AromaticContact CD2-CG 3.59Å; F375-F409 HydrophobicContact CD2-CG 3.59Å; F375-F409 HydrophobicContact CE2-CB 3.62Å; F375-F409 HydrophobicContact CE2-CD1 4.14Å; F375-F409 HydrophobicContact CE2-CD2 4.46Å; F375-F409 AromaticContact CE2-CG 3.83Å; F375-F409 HydrophobicContact CE2-CG 3.83Å; F375-F409 AromaticContact CG-CD2 3.99Å; F375-F409 HydrophobicContact CG-CD2 3.99Å; F375-F409 HydrophobicContact CG-CE2 4.29Å; F375-F409 HydrophobicContact CG-CG 4.14Å; F375-F409 HydrophobicContact CZ-CD1 4.41Å; F375-F677 HydrophobicContact CE1-CE2 4.24Å |
| 376 | C | 82.2 | Confident | 80.5 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | -179.6 | -67.8 | 0 | 0 | 0 | 0 | 112.6 | T372 K373 F379 I380 | T372-C376 WeakPolarHBondContact O-CB 3.11Å; T372-C376 PolarHBondContact O-N 3.28Å; T372-C376 PolarHBondContact O-SG 3.39Å; K373-C376 PolarHBondContact O-N 2.77Å; C376-F379 PolarHBondContact O-N 2.78Å; C376-I380 WeakPolarHBondContact O-CB 3.21Å; C376-I380 WeakPolarHBondContact O-CD1 3.48Å; C376-I380 WeakPolarHBondContact O-CG1 3.17Å; C376-I380 PolarHBondContact O-N 3.32Å |
| 377 | T | 79.7 | Confident | 80.5 | Confident | 70 Ų | 70 | 53 Ų | 53 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 176.3 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | K373 N374 F375 I380 V381 | K373-T377 HydrophobicContact CG-CG2 4.43Å; K373-T377 WeakPolarHBondContact O-CG2 3.22Å; K373-T377 PolarHBondContact O-N 2.96Å; K373-T377 PolarHBondContact O-OG1 3.26Å; N374-T377 WeakPolarHBondContact CA-OG1 3Å; N374-T377 PolarHBondContact O-OG1 2.82Å; F375-T377 VanDerWaalsContact C-N 3.32Å; F375-T377 PolarHBondContact O-N 3.18Å; T377-I380 PolarHBondContact O-N 2.78Å; T377-V381 WeakPolarHBondContact O-CB 3.45Å; T377-V381 VanDerWaalsContact O-CG2 3.26Å; T377-V381 WeakPolarHBondContact O-CG2 3.4Å; T377-V381 PolarHBondContact O-N 3.19Å |
| 378 | G | 79.1 | Confident | 80.3 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N374 F375 I380 V381 L382 | N374-G378 PolarHBondContact O-N 2.99Å; F375-G378 PolarHBondContact O-N 3.26Å; G378-I380 PolarHBondContact O-N 2.87Å; G378-V381 PolarHBondContact O-N 2.76Å; G378-L382 WeakPolarHBondContact O-CB 3.42Å; G378-L382 VanDerWaalsContact O-CG 3.31Å; G378-L382 WeakPolarHBondContact O-CG 3.47Å; G378-L382 PolarHBondContact O-N 3.48Å |
| 379 | F | 83.2 | Confident | 80 | Confident | 80 Ų | 80 | 58.9 Ų | 58.9 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 177 | -169.8 | -83 | 0 | 0 | 0 | 112.1 | F375 C376 S383 L402 V406 | F375-F379 HydrophobicContact CZ-CD2 4.36Å; F375-F379 WeakPolarHBondContact O-CB 3.27Å; F375-F379 PolarHBondContact O-N 3.26Å; C376-F379 PolarHBondContact O-N 2.78Å; F379-S383 WeakPolarHBondContact CE1-OG 3.44Å; F379-S383 WeakPolarHBondContact O-CB 3.16Å; F379-S383 PolarHBondContact O-N 3.47Å; F379-S383 PolarHBondContact O-OG 2.86Å; F379-L402 HydrophobicContact CD2-CD1 3.38Å; F379-L402 HydrophobicContact CD2-CG 4.28Å; F379-L402 HydrophobicContact CE2-CD1 3.52Å; F379-L402 HydrophobicContact CE2-CD2 4.17Å; F379-L402 HydrophobicContact CE2-CG 3.99Å; F379-L402 HydrophobicContact CG-CD1 3.93Å; F379-L402 HydrophobicContact CZ-CD1 4.16Å; F379-L402 HydrophobicContact CZ-CD2 4.32Å; F379-V406 HydrophobicContact CD2-CG2 4.35Å; F379-V406 HydrophobicContact CE2-CG2 4.27Å |
| 380 | I | 81.8 | Confident | 79.3 | Confident | 112 Ų | 112 | 63.4 Ų | 63.4 | 57% | 0.574 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 178.7 | -69.8 | 165.3 | 0 | 0 | 0 | 110.8 | C376 T377 G378 S383 F384 | C376-I380 WeakPolarHBondContact O-CB 3.21Å; C376-I380 WeakPolarHBondContact O-CD1 3.48Å; C376-I380 WeakPolarHBondContact O-CG1 3.17Å; C376-I380 PolarHBondContact O-N 3.32Å; T377-I380 PolarHBondContact O-N 2.78Å; G378-I380 PolarHBondContact O-N 2.87Å; I380-S383 PolarHBondContact O-N 3.13Å; I380-F384 VanDerWaalsContact O-CB 3.32Å; I380-F384 WeakPolarHBondContact O-CB 3.33Å; I380-F384 PolarHBondContact O-N 3.44Å |
| 381 | V | 82.5 | Confident | 78.9 | Confident | 100 Ų | 100 | 65.8 Ų | 65.8 | 61% | 0.606 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.5 | -45.3 | 179.7 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | T377 G378 F384 G385 | T377-V381 WeakPolarHBondContact O-CB 3.45Å; T377-V381 VanDerWaalsContact O-CG2 3.26Å; T377-V381 WeakPolarHBondContact O-CG2 3.4Å; T377-V381 PolarHBondContact O-N 3.19Å; G378-V381 PolarHBondContact O-N 2.76Å; V381-F384 PolarHBondContact O-N 3.4Å; V381-G385 PolarHBondContact O-N 2.8Å |
| 382 | L | 82.8 | Confident | 78 | Confident | 21 Ų | 21 | 68 Ų | 68 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 177.1 | -68.9 | 173.2 | 0 | 0 | 0 | 112.1 | G378 F384 G385 L386 A401 L402 F405 | G378-L382 WeakPolarHBondContact O-CB 3.42Å; G378-L382 VanDerWaalsContact O-CG 3.31Å; G378-L382 WeakPolarHBondContact O-CG 3.47Å; G378-L382 PolarHBondContact O-N 3.48Å; L382-F384 VanDerWaalsContact C-N 3.35Å; L382-G385 WeakPolarHBondContact O-CA 3.19Å; L382-G385 PolarHBondContact O-N 3.34Å; L382-L386 WeakPolarHBondContact O-CG 3.24Å; L382-L386 PolarHBondContact O-N 2.67Å; L382-A401 HydrophobicContact CD1-CB 3.98Å; L382-A401 HydrophobicContact CD2-CB 3.8Å; L382-L402 HydrophobicContact CB-CD1 4.03Å; L382-L402 HydrophobicContact CD1-CD1 4.42Å; L382-F405 HydrophobicContact CD1-CB 4.35Å |
| 383 | S | 80.6 | Confident | 77.2 | Confident | 34 Ų | 34 | 70.8 Ų | 70.8 | 24% | 0.238 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.2 | -37 | 176 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | F379 I380 G385 L386 L387 | F379-S383 WeakPolarHBondContact CE1-OG 3.44Å; F379-S383 WeakPolarHBondContact O-CB 3.16Å; F379-S383 PolarHBondContact O-N 3.47Å; F379-S383 PolarHBondContact O-OG 2.86Å; I380-S383 PolarHBondContact O-N 3.13Å; S383-G385 VanDerWaalsContact C-N 3.35Å; S383-L386 WeakPolarHBondContact O-CB 3.41Å; S383-L386 PolarHBondContact O-N 3.44Å; S383-L387 PolarHBondContact O-N 2.79Å; S383-L387 VanDerWaalsContact O-N 3.08Å |
| 384 | F | 79.7 | Confident | 76.8 | Confident | 121 Ų | 121 | 69 Ų | 69 | 53% | 0.531 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 171.7 | -170.5 | -86.3 | 0 | 0 | 0 | 110.6 | I380 V381 L382 L386 L387 F388 | I380-F384 VanDerWaalsContact O-CB 3.32Å; I380-F384 WeakPolarHBondContact O-CB 3.33Å; I380-F384 PolarHBondContact O-N 3.44Å; V381-F384 PolarHBondContact O-N 3.4Å; L382-F384 VanDerWaalsContact C-N 3.35Å; F384-L386 PolarHBondContact O-N 3.32Å; F384-L387 PolarHBondContact O-N 2.75Å; F384-L387 VanDerWaalsContact O-N 3.12Å; F384-F388 HydrophobicContact CB-CD2 4.47Å; F384-F388 HydrophobicContact CD1-CB 4.38Å; F384-F388 AromaticContact CD1-CD2 3.73Å; F384-F388 HydrophobicContact CD1-CD2 3.73Å; F384-F388 HydrophobicContact CD1-CE2 4.41Å; F384-F388 HydrophobicContact CD1-CG 4.27Å; F384-F388 AromaticContact CD2-CD2 3.34Å; F384-F388 HydrophobicContact CD2-CD2 3.34Å; F384-F388 AromaticContact CD2-CE2 3.19Å; F384-F388 HydrophobicContact CD2-CE2 3.19Å; F384-F388 HydrophobicContact CD2-CG 4.41Å; F384-F388 HydrophobicContact CD2-CZ 4.14Å; F384-F388 HydrophobicContact CE1-CB 4.05Å; F384-F388 AromaticContact CE1-CD2 3.63Å; F384-F388 HydrophobicContact CE1-CD2 3.63Å; F384-F388 HydrophobicContact CE1-CE2 4.25Å; F384-F388 AromaticContact CE1-CG 3.82Å; F384-F388 HydrophobicContact CE1-CG 3.82Å; F384-F388 HydrophobicContact CE2-CD1 4.43Å; F384-F388 AromaticContact CE2-CD2 3.25Å; F384-F388 HydrophobicContact CE2-CD2 3.25Å; F384-F388 HydrophobicContact CE2-CE1 4.2Å; F384-F388 AromaticContact CE2-CE2 2.98Å; F384-F388 HydrophobicContact CE2-CE2 2.98Å; F384-F388 HydrophobicContact CE2-CG 4Å; F384-F388 AromaticContact CE2-CZ 3.51Å; F384-F388 HydrophobicContact CE2-CZ 3.51Å; F384-F388 AromaticContact CG-CD2 3.58Å; F384-F388 HydrophobicContact CG-CD2 3.58Å; F384-F388 AromaticContact CG-CE2 3.93Å; F384-F388 HydrophobicContact CG-CE2 3.93Å; F384-F388 HydrophobicContact CZ-CB 4.37Å; F384-F388 HydrophobicContact CZ-CD1 4.07Å; F384-F388 AromaticContact CZ-CD2 3.39Å; F384-F388 HydrophobicContact CZ-CD2 3.39Å; F384-F388 HydrophobicContact CZ-CE1 4.2Å; F384-F388 AromaticContact CZ-CE2 3.57Å; F384-F388 HydrophobicContact CZ-CE2 3.57Å; F384-F388 AromaticContact CZ-CG 3.67Å; F384-F388 HydrophobicContact CZ-CG 3.67Å; F384-F388 AromaticContact CZ-CZ 3.96Å; F384-F388 HydrophobicContact CZ-CZ 3.96Å; F384-F388 WeakPolarHBondContact O-CD2 3.32Å; F384-F388 PolarHBondContact O-N 2.77Å |
| 385 | G | 75.5 | Confident | 76.6 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 13% | 0.134 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.3 | -36.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V381 L382 S383 S389 | V381-G385 PolarHBondContact O-N 2.8Å; L382-G385 WeakPolarHBondContact O-CA 3.19Å; L382-G385 PolarHBondContact O-N 3.34Å; S383-G385 VanDerWaalsContact C-N 3.35Å; G385-S389 WeakPolarHBondContact O-CB 3.15Å; G385-S389 PolarHBondContact O-N 3.24Å; G385-S389 PolarHBondContact O-OG 3.5Å |
| 386 | L | 77 | Confident | 76.1 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.3 | -39.1 | 175 | -70.9 | 173 | 0 | 0 | 0 | 114 | L382 S383 F384 T395 C398 T399 L402 | L382-L386 WeakPolarHBondContact O-CG 3.24Å; L382-L386 PolarHBondContact O-N 2.67Å; S383-L386 WeakPolarHBondContact O-CB 3.41Å; S383-L386 PolarHBondContact O-N 3.44Å; F384-L386 PolarHBondContact O-N 3.32Å; L386-T395 WeakPolarHBondContact CD2-O 3.4Å; L386-C398 HydrophobicContact CD2-CB 3.57Å; L386-C398 HydrophobicContact CG-CB 3.64Å; L386-T399 HydrophobicContact CD1-CG2 4.27Å; L386-T399 HydrophobicContact CD2-CG2 3.29Å; L386-T399 HydrophobicContact CG-CG2 4.42Å; L386-L402 HydrophobicContact CD1-CD2 4Å |
| 387 | L | 78.6 | Confident | 75.8 | Confident | 141 Ų | 141 | 70.2 Ų | 70.2 | 74% | 0.738 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -84.4 | -29.7 | -169.7 | -145.4 | 119.3 | 0 | 0 | 0 | 112.8 | S383 F384 | S383-L387 PolarHBondContact O-N 2.79Å; S383-L387 VanDerWaalsContact O-N 3.08Å; F384-L387 PolarHBondContact O-N 2.75Å; F384-L387 VanDerWaalsContact O-N 3.12Å |
| 388 | F | 77.9 | Confident | 75.7 | Confident | 128 Ų | 128 | 67.3 Ų | 67.3 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -105.9 | -16.7 | -173.5 | -70.4 | -87.5 | 0 | 0 | 0 | 114.3 | F384 N390 | F384-F388 HydrophobicContact CB-CD2 4.47Å; F384-F388 HydrophobicContact CD1-CB 4.38Å; F384-F388 AromaticContact CD1-CD2 3.73Å; F384-F388 HydrophobicContact CD1-CD2 3.73Å; F384-F388 HydrophobicContact CD1-CE2 4.41Å; F384-F388 HydrophobicContact CD1-CG 4.27Å; F384-F388 AromaticContact CD2-CD2 3.34Å; F384-F388 HydrophobicContact CD2-CD2 3.34Å; F384-F388 AromaticContact CD2-CE2 3.19Å; F384-F388 HydrophobicContact CD2-CE2 3.19Å; F384-F388 HydrophobicContact CD2-CG 4.41Å; F384-F388 HydrophobicContact CD2-CZ 4.14Å; F384-F388 HydrophobicContact CE1-CB 4.05Å; F384-F388 AromaticContact CE1-CD2 3.63Å; F384-F388 HydrophobicContact CE1-CD2 3.63Å; F384-F388 HydrophobicContact CE1-CE2 4.25Å; F384-F388 AromaticContact CE1-CG 3.82Å; F384-F388 HydrophobicContact CE1-CG 3.82Å; F384-F388 HydrophobicContact CE2-CD1 4.43Å; F384-F388 AromaticContact CE2-CD2 3.25Å; F384-F388 HydrophobicContact CE2-CD2 3.25Å; F384-F388 HydrophobicContact CE2-CE1 4.2Å; F384-F388 AromaticContact CE2-CE2 2.98Å; F384-F388 HydrophobicContact CE2-CE2 2.98Å; F384-F388 HydrophobicContact CE2-CG 4Å; F384-F388 AromaticContact CE2-CZ 3.51Å; F384-F388 HydrophobicContact CE2-CZ 3.51Å; F384-F388 AromaticContact CG-CD2 3.58Å; F384-F388 HydrophobicContact CG-CD2 3.58Å; F384-F388 AromaticContact CG-CE2 3.93Å; F384-F388 HydrophobicContact CG-CE2 3.93Å; F384-F388 HydrophobicContact CZ-CB 4.37Å; F384-F388 HydrophobicContact CZ-CD1 4.07Å; F384-F388 AromaticContact CZ-CD2 3.39Å; F384-F388 HydrophobicContact CZ-CD2 3.39Å; F384-F388 HydrophobicContact CZ-CE1 4.2Å; F384-F388 AromaticContact CZ-CE2 3.57Å; F384-F388 HydrophobicContact CZ-CE2 3.57Å; F384-F388 AromaticContact CZ-CG 3.67Å; F384-F388 HydrophobicContact CZ-CG 3.67Å; F384-F388 AromaticContact CZ-CZ 3.96Å; F384-F388 HydrophobicContact CZ-CZ 3.96Å; F384-F388 WeakPolarHBondContact O-CD2 3.32Å; F384-F388 PolarHBondContact O-N 2.77Å; F388-N390 PolarHBondContact O-N 3.19Å |
| 389 | S | 73.9 | Confident | 75.7 | Confident | 29 Ų | 29 | 68.6 Ų | 68.6 | 20% | 0.203 | 36% | 0.363 | C | S | . | . | trans | -85 | 116.5 | 179.3 | -50.4 | 0 | 0 | 0 | 0 | 110.3 | G385 I394 T395 | G385-S389 WeakPolarHBondContact O-CB 3.15Å; G385-S389 PolarHBondContact O-N 3.24Å; G385-S389 PolarHBondContact O-OG 3.5Å; S389-I394 WeakPolarHBondContact OG-CG2 3.39Å; S389-T395 WeakPolarHBondContact O-CG2 3.28Å | ||
| 390 | N | 66.5 | Low | 75.4 | Confident | 165 Ų | 165 | 65.3 Ų | 65.3 | 88% | 0.882 | 35% | 0.349 | S | S | * | . | trans | -81.5 | -5.5 | 167.7 | -80.9 | -8.7 | 0 | 0 | 0 | 112.8 | F388 P392 | F388-N390 PolarHBondContact O-N 3.19Å; N390-P392 WeakPolarHBondContact O-CD 3.46Å | ||
| 391 | V | 70.1 | Confident | 75.2 | Confident | 68 Ų | 68 | 60 Ų | 60 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | trans | -81.8 | 113.3 | 179.2 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | E393 I394 T395 | V391-E393 HydrophobicContact CG1-CB 4.16Å; V391-E393 WeakPolarHBondContact CG1-OE2 3.39Å; V391-E393 PolarHBondContact O-N 2.72Å; V391-I394 HydrophobicContact CB-CB 4.37Å; V391-I394 HydrophobicContact CB-CD1 3.96Å; V391-I394 HydrophobicContact CB-CG1 4.04Å; V391-I394 HydrophobicContact CG1-CD1 4.24Å; V391-I394 HydrophobicContact CG1-CG1 4.02Å; V391-I394 HydrophobicContact CG2-CD1 4.29Å; V391-I394 PolarHBondContact O-N 3.43Å; V391-T395 PolarHBondContact O-N 3.17Å; V391-T395 VanDerWaalsContact O-N 3.16Å | ||
| 392 | P | 62.5 | Low | 75.2 | Confident | 56 Ų | 56 | 56.6 Ų | 56.6 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.2 | -34.5 | -174.6 | 20.2 | -29.3 | 0 | 0 | 0 | 112.1 | N390 I394 T395 E396 | N390-P392 WeakPolarHBondContact O-CD 3.46Å; P392-I394 PolarHBondContact O-N 3.43Å; P392-T395 WeakPolarHBondContact CA-OG1 3.29Å; P392-T395 PolarHBondContact O-N 3.19Å; P392-T395 PolarHBondContact O-OG1 2.74Å; P392-E396 WeakPolarHBondContact O-CB 3.45Å; P392-E396 VanDerWaalsContact O-CG 3.3Å; P392-E396 WeakPolarHBondContact O-CG 3.39Å; P392-E396 PolarHBondContact O-N 2.84Å |
| 393 | E | 65.4 | Low | 75.3 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 177 | -65.3 | 65.9 | -141.2 | 0 | 0 | 112.5 | R320 V391 F397 | R320-E393 IonicContact NH1-OE1 2.74Å; R320-E393 IonicContact NH2-OE1 2.97Å; R320-E393 PolarHBondContact NH2-OE1 3.41Å; V391-E393 HydrophobicContact CG1-CB 4.16Å; V391-E393 WeakPolarHBondContact CG1-OE2 3.39Å; V391-E393 PolarHBondContact O-N 2.72Å; E393-F397 PolarHBondContact O-N 3.31Å; E393-F397 VanDerWaalsContact O-N 3.08Å |
| 394 | I | 71.3 | Confident | 75.3 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.5 | -41.6 | -179.8 | -59.5 | 177.4 | 0 | 0 | 0 | 109.9 | S389 V391 P392 E396 F397 C398 | S389-I394 WeakPolarHBondContact OG-CG2 3.39Å; V391-I394 HydrophobicContact CB-CB 4.37Å; V391-I394 HydrophobicContact CB-CD1 3.96Å; V391-I394 HydrophobicContact CB-CG1 4.04Å; V391-I394 HydrophobicContact CG1-CD1 4.24Å; V391-I394 HydrophobicContact CG1-CG1 4.02Å; V391-I394 HydrophobicContact CG2-CD1 4.29Å; V391-I394 PolarHBondContact O-N 3.43Å; P392-I394 PolarHBondContact O-N 3.43Å; I394-E396 VanDerWaalsContact C-N 3.33Å; I394-E396 PolarHBondContact O-N 3.38Å; I394-F397 PolarHBondContact O-N 3.48Å; I394-C398 PolarHBondContact O-N 2.86Å; I394-C398 PolarHBondContact O-SG 2.76Å; I394-C398 VanDerWaalsContact O-SG 3.33Å |
| 395 | T | 73.9 | Confident | 75.4 | Confident | 37 Ų | 37 | 51 Ų | 51 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 178.2 | 64.4 | 0 | 0 | 0 | 0 | 111.8 | L386 S389 V391 P392 C398 T399 | L386-T395 WeakPolarHBondContact CD2-O 3.4Å; S389-T395 WeakPolarHBondContact O-CG2 3.28Å; V391-T395 PolarHBondContact O-N 3.17Å; V391-T395 VanDerWaalsContact O-N 3.16Å; P392-T395 WeakPolarHBondContact CA-OG1 3.29Å; P392-T395 PolarHBondContact O-N 3.19Å; P392-T395 PolarHBondContact O-OG1 2.74Å; T395-C398 PolarHBondContact O-N 3.39Å; T395-T399 WeakPolarHBondContact O-CG2 3.36Å; T395-T399 PolarHBondContact O-N 2.93Å; T395-T399 PolarHBondContact O-OG1 3.09Å |
| 396 | E | 73.7 | Confident | 75.9 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -46 | 174.3 | -74.6 | 173.6 | -165.8 | 0 | 0 | 111.6 | R320 P392 I394 C398 T399 I400 | R320-E396 WeakPolarHBondContact CB-OE2 3.34Å; R320-E396 IonicContact CZ-OE1 3.05Å; R320-E396 IonicContact CZ-OE2 3.84Å; R320-E396 IonicContact NE-OE1 2.72Å; R320-E396 PolarHBondContact NE-OE1 2.95Å; R320-E396 IonicContact NE-OE2 2.76Å; R320-E396 PolarHBondContact NE-OE2 2.93Å; R320-E396 VanDerWaalsContact NH2-CD 3.32Å; R320-E396 IonicContact NH2-OE1 3.4Å; R320-E396 PolarHBondContact NH2-OE1 2.71Å; R320-E396 IonicContact NH2-OE2 3.48Å; R320-E396 PolarHBondContact NH2-OE2 3.16Å; P392-E396 WeakPolarHBondContact O-CB 3.45Å; P392-E396 VanDerWaalsContact O-CG 3.3Å; P392-E396 WeakPolarHBondContact O-CG 3.39Å; P392-E396 PolarHBondContact O-N 2.84Å; I394-E396 VanDerWaalsContact C-N 3.33Å; I394-E396 PolarHBondContact O-N 3.38Å; E396-C398 VanDerWaalsContact C-N 3.35Å; E396-C398 PolarHBondContact O-N 2.95Å; E396-T399 PolarHBondContact O-N 3.1Å; E396-T399 PolarHBondContact O-OG1 3.11Å; E396-I400 WeakPolarHBondContact O-CG1 3.31Å; E396-I400 PolarHBondContact O-N 3.34Å; E396-I400 VanDerWaalsContact O-N 3.12Å |
| 397 | F | 75.6 | Confident | 76.3 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.8 | -48 | 174.9 | 170 | -105.2 | 0 | 0 | 0 | 111.6 | L327 L331 E393 I394 T399 I400 A401 | L327-F397 HydrophobicContact CD2-CD2 3.8Å; L327-F397 HydrophobicContact CD2-CE2 3.45Å; L327-F397 VanDerWaalsContact CD2-CE2 3.45Å; L327-F397 HydrophobicContact CD2-CZ 4.17Å; L327-F397 HydrophobicContact CG-CE2 4.35Å; L331-F397 HydrophobicContact CD2-CE2 4.41Å; L331-F397 HydrophobicContact CD2-CZ 4.02Å; E393-F397 PolarHBondContact O-N 3.31Å; E393-F397 VanDerWaalsContact O-N 3.08Å; I394-F397 PolarHBondContact O-N 3.48Å; F397-T399 PolarHBondContact O-N 2.92Å; F397-I400 PolarHBondContact O-N 2.83Å; F397-A401 HydrophobicContact CE2-CB 4.47Å; F397-A401 HydrophobicContact CZ-CB 4.4Å; F397-A401 WeakPolarHBondContact O-CB 3.19Å; F397-A401 PolarHBondContact O-N 3.31Å |
| 398 | C | 78.2 | Confident | 76.7 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 5% | 0.054 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.6 | -34.9 | -178.9 | -67.4 | 0 | 0 | 0 | 0 | 112.6 | L386 I394 T395 E396 L402 | L386-C398 HydrophobicContact CD2-CB 3.57Å; L386-C398 HydrophobicContact CG-CB 3.64Å; I394-C398 PolarHBondContact O-N 2.86Å; I394-C398 PolarHBondContact O-SG 2.76Å; I394-C398 VanDerWaalsContact O-SG 3.33Å; T395-C398 PolarHBondContact O-N 3.39Å; E396-C398 VanDerWaalsContact C-N 3.35Å; E396-C398 PolarHBondContact O-N 2.95Å; C398-L402 WeakPolarHBondContact O-CB 3.12Å; C398-L402 PolarHBondContact O-N 2.81Å |
| 399 | T | 78.2 | Confident | 77.1 | Confident | 44 Ų | 44 | 37.8 Ų | 37.8 | 27% | 0.27 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.8 | -46.9 | 178.7 | 51.6 | 0 | 0 | 0 | 0 | 110.5 | L386 T395 E396 F397 L402 V403 | L386-T399 HydrophobicContact CD1-CG2 4.27Å; L386-T399 HydrophobicContact CD2-CG2 3.29Å; L386-T399 HydrophobicContact CG-CG2 4.42Å; T395-T399 WeakPolarHBondContact O-CG2 3.36Å; T395-T399 PolarHBondContact O-N 2.93Å; T395-T399 PolarHBondContact O-OG1 3.09Å; E396-T399 PolarHBondContact O-N 3.1Å; E396-T399 PolarHBondContact O-OG1 3.11Å; F397-T399 PolarHBondContact O-N 2.92Å; T399-L402 PolarHBondContact O-N 3.46Å; T399-V403 WeakPolarHBondContact O-CG2 3.26Å; T399-V403 PolarHBondContact O-N 3.14Å; T399-V403 VanDerWaalsContact O-N 3.11Å |
| 400 | I | 77.2 | Confident | 77.8 | Confident | 11 Ų | 11 | 37 Ų | 37 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -46.5 | 178.6 | -68 | 168.7 | 0 | 0 | 0 | 110.5 | L324 F328 E396 F397 L402 V403 G404 | L324-I400 HydrophobicContact CB-CG2 4.46Å; L324-I400 HydrophobicContact CD1-CG2 3.34Å; L324-I400 HydrophobicContact CG-CG2 4.49Å; F328-I400 HydrophobicContact CB-CG2 4.42Å; F328-I400 HydrophobicContact CD1-CG2 4.42Å; F328-I400 HydrophobicContact CD2-CG2 4.28Å; F328-I400 HydrophobicContact CG-CG2 4.09Å; E396-I400 WeakPolarHBondContact O-CG1 3.31Å; E396-I400 PolarHBondContact O-N 3.34Å; E396-I400 VanDerWaalsContact O-N 3.12Å; F397-I400 PolarHBondContact O-N 2.83Å; I400-L402 VanDerWaalsContact C-N 3.26Å; I400-L402 PolarHBondContact O-N 2.96Å; I400-V403 PolarHBondContact O-N 2.97Å; I400-G404 PolarHBondContact O-N 3.45Å |
| 401 | A | 78.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L331 L382 F397 G404 F405 | L331-A401 HydrophobicContact CD2-CB 3.82Å; L382-A401 HydrophobicContact CD1-CB 3.98Å; L382-A401 HydrophobicContact CD2-CB 3.8Å; F397-A401 HydrophobicContact CE2-CB 4.47Å; F397-A401 HydrophobicContact CZ-CB 4.4Å; F397-A401 WeakPolarHBondContact O-CB 3.19Å; F397-A401 PolarHBondContact O-N 3.31Å; A401-G404 PolarHBondContact O-N 2.95Å; A401-F405 WeakPolarHBondContact O-CB 3.22Å; A401-F405 PolarHBondContact O-N 3Å |
| 402 | L | 83 | Confident | 79.7 | Confident | 30 Ų | 30 | 26 Ų | 26 | 16% | 0.157 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65 | -50.2 | 177.7 | -167.9 | 71 | 0 | 0 | 0 | 111.9 | F379 L382 L386 C398 T399 I400 G404 F405 V406 | F379-L402 HydrophobicContact CD2-CD1 3.38Å; F379-L402 HydrophobicContact CD2-CG 4.28Å; F379-L402 HydrophobicContact CE2-CD1 3.52Å; F379-L402 HydrophobicContact CE2-CD2 4.17Å; F379-L402 HydrophobicContact CE2-CG 3.99Å; F379-L402 HydrophobicContact CG-CD1 3.93Å; F379-L402 HydrophobicContact CZ-CD1 4.16Å; F379-L402 HydrophobicContact CZ-CD2 4.32Å; L382-L402 HydrophobicContact CB-CD1 4.03Å; L382-L402 HydrophobicContact CD1-CD1 4.42Å; L386-L402 HydrophobicContact CD1-CD2 4Å; C398-L402 WeakPolarHBondContact O-CB 3.12Å; C398-L402 PolarHBondContact O-N 2.81Å; T399-L402 PolarHBondContact O-N 3.46Å; I400-L402 VanDerWaalsContact C-N 3.26Å; I400-L402 PolarHBondContact O-N 2.96Å; L402-G404 VanDerWaalsContact C-N 3.26Å; L402-G404 PolarHBondContact O-N 3.13Å; L402-F405 PolarHBondContact O-N 2.87Å; L402-V406 VanDerWaalsContact O-CG2 3.27Å; L402-V406 WeakPolarHBondContact O-CG2 3.44Å; L402-V406 PolarHBondContact O-N 3.41Å |
| 403 | V | 83.8 | Confident | 80.9 | Confident | 32 Ų | 32 | 23.5 Ų | 23.5 | 19% | 0.194 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.5 | -44.7 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | A309 I312 T399 I400 V406 A407 | A309-V403 HydrophobicContact CB-CG1 4.21Å; I312-V403 HydrophobicContact CB-CG1 3.89Å; I312-V403 HydrophobicContact CD1-CG1 4.17Å; I312-V403 HydrophobicContact CG2-CG1 3.71Å; T399-V403 WeakPolarHBondContact O-CG2 3.26Å; T399-V403 PolarHBondContact O-N 3.14Å; T399-V403 VanDerWaalsContact O-N 3.11Å; I400-V403 PolarHBondContact O-N 2.97Å; V403-V406 PolarHBondContact O-N 3.01Å; V403-A407 WeakPolarHBondContact O-CB 3.32Å; V403-A407 PolarHBondContact O-N 3.26Å |
| 404 | G | 81 | Confident | 82 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | I400 A401 L402 V406 A407 D408 | I400-G404 PolarHBondContact O-N 3.45Å; A401-G404 PolarHBondContact O-N 2.95Å; L402-G404 VanDerWaalsContact C-N 3.26Å; L402-G404 PolarHBondContact O-N 3.13Å; G404-V406 VanDerWaalsContact C-N 3.35Å; G404-A407 WeakPolarHBondContact O-CB 3.27Å; G404-A407 PolarHBondContact O-N 2.95Å; G404-D408 WeakPolarHBondContact O-CB 3.43Å; G404-D408 PolarHBondContact O-N 2.82Å |
| 405 | F | 82 | Confident | 82.9 | Confident | 25 Ų | 25 | 18.2 Ų | 18.2 | 11% | 0.11 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.4 | -37.1 | -179.9 | -172.4 | -97.4 | 0 | 0 | 0 | 111.8 | V335 F375 L382 A401 L402 F409 | V335-F405 HydrophobicContact CG1-CD2 3.81Å; V335-F405 HydrophobicContact CG1-CE2 3.43Å; V335-F405 VanDerWaalsContact CG1-CE2 3.43Å; V335-F405 HydrophobicContact CG1-CZ 4.5Å; V335-F405 HydrophobicContact CG2-CE2 4.45Å; F375-F405 HydrophobicContact CB-CE1 4.17Å; F375-F405 HydrophobicContact CB-CZ 4.49Å; F375-F405 AromaticContact CD2-CD1 3.56Å; F375-F405 HydrophobicContact CD2-CD1 3.56Å; F375-F405 AromaticContact CD2-CE1 3.17Å; F375-F405 HydrophobicContact CD2-CE1 3.17Å; F375-F405 HydrophobicContact CD2-CZ 4.07Å; F375-F405 AromaticContact CE2-CD1 3.52Å; F375-F405 HydrophobicContact CE2-CD1 3.52Å; F375-F405 AromaticContact CE2-CE1 3.62Å; F375-F405 HydrophobicContact CE2-CE1 3.62Å; F375-F405 AromaticContact CG-CE1 3.82Å; F375-F405 HydrophobicContact CG-CE1 3.82Å; F375-F405 HydrophobicContact CZ-CD1 4.49Å; F375-F405 WeakPolarHBondContact O-CE1 3.47Å; L382-F405 HydrophobicContact CD1-CB 4.35Å; A401-F405 WeakPolarHBondContact O-CB 3.22Å; A401-F405 PolarHBondContact O-N 3Å; L402-F405 PolarHBondContact O-N 2.87Å; F405-F409 WeakPolarHBondContact O-CB 3.45Å; F405-F409 PolarHBondContact O-N 3.38Å; F405-F409 VanDerWaalsContact O-N 3.08Å |
| 406 | V | 85.1 | Confident | 83.6 | Confident | 31 Ų | 31 | 16.6 Ų | 16.6 | 19% | 0.188 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 171.6 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | F375 F379 L402 V403 G404 Y410 F669 | F375-V406 HydrophobicContact CE2-CG2 4.32Å; F375-V406 HydrophobicContact CZ-CG2 4.06Å; F379-V406 HydrophobicContact CD2-CG2 4.35Å; F379-V406 HydrophobicContact CE2-CG2 4.27Å; L402-V406 VanDerWaalsContact O-CG2 3.27Å; L402-V406 WeakPolarHBondContact O-CG2 3.44Å; L402-V406 PolarHBondContact O-N 3.41Å; V403-V406 PolarHBondContact O-N 3.01Å; G404-V406 VanDerWaalsContact C-N 3.35Å; V406-Y410 PolarHBondContact O-N 3.45Å; V406-Y410 VanDerWaalsContact O-N 3.12Å; V406-F669 HydrophobicContact CG1-CE1 3.64Å; V406-F669 HydrophobicContact CG1-CZ 3.8Å |
| 407 | A | 86.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M308 A309 V403 G404 Y410 M411 | M308-A407 HydrophobicContact CE-CB 3.34Å; M308-A407 WeakPolarHBondContact CE-O 3.21Å; A309-A407 HydrophobicContact CB-CB 4.11Å; V403-A407 WeakPolarHBondContact O-CB 3.32Å; V403-A407 PolarHBondContact O-N 3.26Å; G404-A407 WeakPolarHBondContact O-CB 3.27Å; G404-A407 PolarHBondContact O-N 2.95Å; A407-Y410 PolarHBondContact O-N 3.31Å; A407-M411 WeakPolarHBondContact O-CG 3.44Å; A407-M411 PolarHBondContact O-N 3.35Å |
| 408 | D | 86 | Confident | 84.8 | Confident | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.011 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.3 | -47.3 | 178 | 179.6 | 53.2 | 0 | 0 | 0 | 112.3 | G336 G404 Y410 M411 Q412 | G336-D408 VanDerWaalsContact CA-OD2 3.32Å; G336-D408 WeakPolarHBondContact CA-OD2 3.45Å; G404-D408 WeakPolarHBondContact O-CB 3.43Å; G404-D408 PolarHBondContact O-N 2.82Å; D408-Y410 VanDerWaalsContact C-N 3.27Å; D408-Y410 PolarHBondContact O-N 2.9Å; D408-M411 PolarHBondContact O-N 3.35Å; D408-M411 VanDerWaalsContact O-N 3.13Å; D408-Q412 WeakPolarHBondContact O-CG 3.43Å; D408-Q412 PolarHBondContact O-N 3.47Å; D408-Q412 PolarHBondContact OD1-NE2 3.12Å; D408-Q412 PolarHBondContact OD2-NE2 3.45Å |
| 409 | F | 87.6 | Confident | 85.2 | Confident | 24 Ų | 24 | 13.4 Ų | 13.4 | 11% | 0.105 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.1 | -40.9 | 174.6 | 178.6 | -101.7 | 0 | 0 | 0 | 112.3 | Y16 L371 F375 F405 L413 I676 | Y16-F409 WeakPolarHBondContact OH-CE2 3.39Å; Y16-F409 VanDerWaalsContact OH-CZ 3.29Å; Y16-F409 WeakPolarHBondContact OH-CZ 3.41Å; L371-F409 HydrophobicContact CD2-CE2 4.24Å; L371-F409 HydrophobicContact CG-CD2 4.41Å; L371-F409 HydrophobicContact CG-CE2 4.02Å; F375-F409 HydrophobicContact CB-CD2 4.1Å; F375-F409 HydrophobicContact CB-CE2 4.22Å; F375-F409 HydrophobicContact CD2-CB 3.59Å; F375-F409 HydrophobicContact CD2-CD1 4.21Å; F375-F409 AromaticContact CD2-CD2 3.77Å; F375-F409 HydrophobicContact CD2-CD2 3.77Å; F375-F409 AromaticContact CD2-CG 3.59Å; F375-F409 HydrophobicContact CD2-CG 3.59Å; F375-F409 HydrophobicContact CE2-CB 3.62Å; F375-F409 HydrophobicContact CE2-CD1 4.14Å; F375-F409 HydrophobicContact CE2-CD2 4.46Å; F375-F409 AromaticContact CE2-CG 3.83Å; F375-F409 HydrophobicContact CE2-CG 3.83Å; F375-F409 AromaticContact CG-CD2 3.99Å; F375-F409 HydrophobicContact CG-CD2 3.99Å; F375-F409 HydrophobicContact CG-CE2 4.29Å; F375-F409 HydrophobicContact CG-CG 4.14Å; F375-F409 HydrophobicContact CZ-CD1 4.41Å; F405-F409 WeakPolarHBondContact O-CB 3.45Å; F405-F409 PolarHBondContact O-N 3.38Å; F405-F409 VanDerWaalsContact O-N 3.08Å; F409-L413 HydrophobicContact CD1-CD1 4.27Å; F409-L413 HydrophobicContact CE1-CD1 3.67Å; F409-L413 HydrophobicContact CE2-CD1 4.11Å; F409-L413 HydrophobicContact CZ-CD1 3.58Å; F409-L413 PolarHBondContact O-N 2.91Å; F409-I676 HydrophobicContact CE1-CG2 4.45Å |
| 410 | Y | 88 | Confident | 85.4 | Confident | 11 Ų | 11 | 11.5 Ų | 11.5 | 4% | 0.043 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.3 | -47.7 | 174.4 | 176.3 | -92.8 | 0 | 0 | 0 | 112.3 | H33 M308 V406 A407 D408 Q412 L413 F414 F669 | H33-Y410 PolarHBondContact CE1-OH 3.11Å; H33-Y410 VanDerWaalsContact CE1-OH 3.22Å; H33-Y410 PolarHBondContact ND1-OH 2.76Å; H33-Y410 VanDerWaalsContact ND1-OH 3.09Å; M308-Y410 HydrophobicContact CE-CD1 3.85Å; M308-Y410 HydrophobicContact CE-CG 4.39Å; M308-Y410 HydrophobicContact SD-CD1 4.33Å; V406-Y410 PolarHBondContact O-N 3.45Å; V406-Y410 VanDerWaalsContact O-N 3.12Å; A407-Y410 PolarHBondContact O-N 3.31Å; D408-Y410 VanDerWaalsContact C-N 3.27Å; D408-Y410 PolarHBondContact O-N 2.9Å; Y410-Q412 VanDerWaalsContact C-N 3.32Å; Y410-Q412 PolarHBondContact O-N 3.46Å; Y410-L413 PolarHBondContact O-N 3.44Å; Y410-F414 AromaticContact CD2-CD2 3.41Å; Y410-F414 HydrophobicContact CD2-CD2 3.41Å; Y410-F414 VanDerWaalsContact CD2-CD2 3.41Å; Y410-F414 AromaticContact CD2-CE2 3.7Å; Y410-F414 HydrophobicContact CD2-CE2 3.7Å; Y410-F414 HydrophobicContact CD2-CG 4.3Å; Y410-F414 HydrophobicContact CE1-CB 4.13Å; Y410-F414 HydrophobicContact CE1-CD2 4.41Å; Y410-F414 HydrophobicContact CE1-CG 4.46Å; Y410-F414 HydrophobicContact CE2-CB 4.35Å; Y410-F414 AromaticContact CE2-CD2 3.28Å; Y410-F414 HydrophobicContact CE2-CD2 3.28Å; Y410-F414 AromaticContact CE2-CE2 3.57Å; Y410-F414 HydrophobicContact CE2-CE2 3.57Å; Y410-F414 AromaticContact CE2-CG 3.81Å; Y410-F414 HydrophobicContact CE2-CG 3.81Å; Y410-F414 HydrophobicContact CE2-CZ 4.31Å; Y410-F414 HydrophobicContact CG-CD2 4.03Å; Y410-F414 AromaticContact CZ-CD2 3.82Å; Y410-F414 AromaticContact CZ-CG 3.89Å; Y410-F414 WeakPolarHBondContact O-CD2 3.42Å; Y410-F414 PolarHBondContact O-N 3.25Å; Y410-F669 HydrophobicContact CD1-CD2 4.48Å; Y410-F669 AromaticContact CD1-CE2 3.83Å; Y410-F669 HydrophobicContact CD1-CE2 3.83Å; Y410-F669 AromaticContact CD2-CD2 3.79Å; Y410-F669 HydrophobicContact CD2-CD2 3.79Å; Y410-F669 AromaticContact CD2-CE2 3.38Å; Y410-F669 HydrophobicContact CD2-CE2 3.38Å; Y410-F669 HydrophobicContact CD2-CZ 4.3Å; Y410-F669 HydrophobicContact CE1-CE2 4.35Å; Y410-F669 AromaticContact CE2-CD2 3.9Å; Y410-F669 HydrophobicContact CE2-CD2 3.9Å; Y410-F669 AromaticContact CE2-CE2 3.96Å; Y410-F669 HydrophobicContact CE2-CE2 3.96Å; Y410-F669 HydrophobicContact CG-CD2 4.1Å; Y410-F669 AromaticContact CG-CE2 3.31Å; Y410-F669 HydrophobicContact CG-CE2 3.31Å; Y410-F669 HydrophobicContact CG-CZ 4.14Å |
| 411 | M | 89.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.3 | -33.2 | -178.4 | -70.5 | -53.9 | -63.7 | 0 | 0 | 112.5 | V38 L304 M308 A407 D408 L413 F415 Y416 | V38-M411 HydrophobicContact CG2-CE 3.81Å; V38-M411 HydrophobicContact CG2-SD 3.63Å; L304-M411 HydrophobicContact CB-CE 3.53Å; L304-M411 HydrophobicContact CD1-CE 3.7Å; L304-M411 HydrophobicContact CG-CE 4.28Å; M308-M411 HydrophobicContact CE-CG 4.2Å; M308-M411 HydrophobicContact CE-SD 4.48Å; A407-M411 WeakPolarHBondContact O-CG 3.44Å; A407-M411 PolarHBondContact O-N 3.35Å; D408-M411 PolarHBondContact O-N 3.35Å; D408-M411 VanDerWaalsContact O-N 3.13Å; M411-L413 VanDerWaalsContact C-N 3.32Å; M411-L413 PolarHBondContact O-N 2.91Å; M411-F415 HydrophobicContact CE-CB 3.46Å; M411-F415 VanDerWaalsContact CE-CB 3.46Å; M411-F415 HydrophobicContact CE-CD1 4.19Å; M411-F415 HydrophobicContact CE-CD2 4.29Å; M411-F415 HydrophobicContact CE-CG 3.73Å; M411-F415 WeakPolarHBondContact O-CA 3.41Å; M411-F415 VanDerWaalsContact O-CB 3.29Å; M411-F415 WeakPolarHBondContact O-CB 3.33Å; M411-F415 PolarHBondContact O-N 3.16Å; M411-F415 HydrophobicContact SD-CB 4.5Å; M411-Y416 PolarHBondContact O-N 2.85Å |
| 412 | Q | 88.2 | Confident | 85.8 | Confident | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.009 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -61.9 | -40.1 | 173.2 | -73.8 | 165.6 | 19.6 | 0 | 0 | 112.1 | N339 I340 D408 Y410 Y416 A417 | N339-Q412 VanDerWaalsContact CB-OE1 3.32Å; N339-Q412 PolarHBondContact ND2-OE1 3.33Å; I340-Q412 HydrophobicContact CD1-CG 4.48Å; I340-Q412 HydrophobicContact CG1-CG 4.11Å; D408-Q412 WeakPolarHBondContact O-CG 3.43Å; D408-Q412 PolarHBondContact O-N 3.47Å; D408-Q412 PolarHBondContact OD1-NE2 3.12Å; D408-Q412 PolarHBondContact OD2-NE2 3.45Å; Y410-Q412 VanDerWaalsContact C-N 3.32Å; Y410-Q412 PolarHBondContact O-N 3.46Å; Q412-Y416 WeakPolarHBondContact O-CB 3.47Å; Q412-A417 PolarHBondContact O-N 3.05Å |
| 413 | L | 87.2 | Confident | 85.7 | Confident | 4 Ų | 4 | 15.1 Ų | 15.1 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | I | π-helix | trans | -79.3 | -49.6 | 179.9 | -70.7 | 171.8 | 0 | 0 | 0 | 112.7 | Y16 Y19 F409 Y410 M411 A417 P418 | Y16-L413 HydrophobicContact CD1-CD2 3.93Å; Y16-L413 HydrophobicContact CE1-CD1 4.23Å; Y16-L413 HydrophobicContact CE1-CD2 3.46Å; Y16-L413 VanDerWaalsContact CE1-CD2 3.46Å; Y16-L413 HydrophobicContact CE1-CG 4.43Å; Y19-L413 HydrophobicContact CD1-CD2 4.15Å; Y19-L413 HydrophobicContact CE1-CB 3.8Å; Y19-L413 HydrophobicContact CE1-CD2 3.86Å; Y19-L413 HydrophobicContact CE1-CG 4.39Å; Y19-L413 WeakPolarHBondContact CE1-O 3Å; Y19-L413 PolarHBondContact OH-O 3.33Å; F409-L413 HydrophobicContact CD1-CD1 4.27Å; F409-L413 HydrophobicContact CE1-CD1 3.67Å; F409-L413 HydrophobicContact CE2-CD1 4.11Å; F409-L413 HydrophobicContact CZ-CD1 3.58Å; F409-L413 PolarHBondContact O-N 2.91Å; Y410-L413 PolarHBondContact O-N 3.44Å; M411-L413 VanDerWaalsContact C-N 3.32Å; M411-L413 PolarHBondContact O-N 2.91Å; L413-A417 WeakPolarHBondContact O-CB 3.39Å; L413-P418 WeakPolarHBondContact O-CD 3.44Å |
| 414 | F | 87.4 | Confident | 85.4 | Confident | 20 Ų | 20 | 13.7 Ų | 13.7 | 9% | 0.088 | 7% | 0.068 | C | C | . | . | I | π-helix | trans | -92 | -11.5 | -169.8 | -72.7 | -87 | 0 | 0 | 0 | 115 | Y19 S34 Y410 V672 I676 | Y19-F414 HydrophobicContact CE2-CD1 4.46Å; Y19-F414 AromaticContact CE2-CE1 3.91Å; Y19-F414 HydrophobicContact CE2-CE1 3.91Å; Y19-F414 AromaticContact CE2-CZ 3.95Å; Y19-F414 HydrophobicContact CE2-CZ 3.95Å; Y19-F414 WeakPolarHBondContact OH-CA 3.26Å; Y19-F414 WeakPolarHBondContact OH-CD1 3.27Å; Y19-F414 WeakPolarHBondContact OH-CD2 3.31Å; Y19-F414 WeakPolarHBondContact OH-CE1 3.29Å; Y19-F414 WeakPolarHBondContact OH-CG 3.45Å; Y19-F414 PolarHBondContact OH-N 2.87Å; S34-F414 WeakPolarHBondContact CB-O 3.15Å; S34-F414 PolarHBondContact OG-O 3.44Å; Y410-F414 AromaticContact CD2-CD2 3.41Å; Y410-F414 HydrophobicContact CD2-CD2 3.41Å; Y410-F414 VanDerWaalsContact CD2-CD2 3.41Å; Y410-F414 AromaticContact CD2-CE2 3.7Å; Y410-F414 HydrophobicContact CD2-CE2 3.7Å; Y410-F414 HydrophobicContact CD2-CG 4.3Å; Y410-F414 HydrophobicContact CE1-CB 4.13Å; Y410-F414 HydrophobicContact CE1-CD2 4.41Å; Y410-F414 HydrophobicContact CE1-CG 4.46Å; Y410-F414 HydrophobicContact CE2-CB 4.35Å; Y410-F414 AromaticContact CE2-CD2 3.28Å; Y410-F414 HydrophobicContact CE2-CD2 3.28Å; Y410-F414 AromaticContact CE2-CE2 3.57Å; Y410-F414 HydrophobicContact CE2-CE2 3.57Å; Y410-F414 AromaticContact CE2-CG 3.81Å; Y410-F414 HydrophobicContact CE2-CG 3.81Å; Y410-F414 HydrophobicContact CE2-CZ 4.31Å; Y410-F414 HydrophobicContact CG-CD2 4.03Å; Y410-F414 AromaticContact CZ-CD2 3.82Å; Y410-F414 AromaticContact CZ-CG 3.89Å; Y410-F414 WeakPolarHBondContact O-CD2 3.42Å; Y410-F414 PolarHBondContact O-N 3.25Å; F414-V672 HydrophobicContact CE2-CG1 4.04Å; F414-V672 HydrophobicContact CZ-CG1 3.69Å; F414-I676 HydrophobicContact CE2-CD1 3.72Å; F414-I676 HydrophobicContact CZ-CD1 4.04Å |
| 415 | F | 90.2 | Very high | 85.2 | Confident | 10 Ų | 10 | 16.8 Ų | 16.8 | 4% | 0.044 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -122.3 | -52.5 | 177.5 | -174.9 | -95.8 | 0 | 0 | 0 | 112 | L31 L35 L300 T301 L304 M411 P418 C419 | L31-F415 HydrophobicContact CD2-CD2 3.61Å; L31-F415 HydrophobicContact CD2-CE2 3.87Å; L31-F415 HydrophobicContact CD2-CG 4.3Å; L35-F415 HydrophobicContact CD2-CD2 4.38Å; L35-F415 HydrophobicContact CD2-CE2 3.91Å; L35-F415 HydrophobicContact CG-CE2 4.25Å; L300-F415 HydrophobicContact CB-CE1 4.03Å; L300-F415 HydrophobicContact CB-CZ 4.39Å; L300-F415 HydrophobicContact CD2-CE1 3.96Å; L300-F415 HydrophobicContact CD2-CZ 3.46Å; L300-F415 VanDerWaalsContact CD2-CZ 3.46Å; L300-F415 HydrophobicContact CG-CE1 3.8Å; L300-F415 HydrophobicContact CG-CZ 3.73Å; T301-F415 HydrophobicContact CG2-CD1 3.5Å; T301-F415 VanDerWaalsContact CG2-CD1 3.5Å; T301-F415 HydrophobicContact CG2-CE1 4.07Å; L304-F415 HydrophobicContact CD1-CD1 4.24Å; L304-F415 HydrophobicContact CD1-CD2 4.18Å; L304-F415 HydrophobicContact CD1-CE1 4.04Å; L304-F415 HydrophobicContact CD1-CE2 3.96Å; L304-F415 HydrophobicContact CD1-CG 4.34Å; L304-F415 HydrophobicContact CD1-CZ 3.9Å; M411-F415 HydrophobicContact CE-CB 3.46Å; M411-F415 VanDerWaalsContact CE-CB 3.46Å; M411-F415 HydrophobicContact CE-CD1 4.19Å; M411-F415 HydrophobicContact CE-CD2 4.29Å; M411-F415 HydrophobicContact CE-CG 3.73Å; M411-F415 WeakPolarHBondContact O-CA 3.41Å; M411-F415 VanDerWaalsContact O-CB 3.29Å; M411-F415 WeakPolarHBondContact O-CB 3.33Å; M411-F415 PolarHBondContact O-N 3.16Å; M411-F415 HydrophobicContact SD-CB 4.5Å; F415-P418 WeakPolarHBondContact O-CD 3.39Å; F415-C419 WeakPolarHBondContact O-CB 3.49Å; F415-C419 PolarHBondContact O-N 3.3Å; F415-C419 PolarHBondContact O-SG 3.43Å |
| 416 | Y | 88.9 | Confident | 84.9 | Confident | 3 Ų | 3 | 22.5 Ų | 22.5 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -66.1 | -46.2 | -179.7 | -164.5 | -113.3 | 0 | 0 | 0 | 113 | L294 A298 T301 I340 M343 T344 M411 Q412 C419 L420 | L294-Y416 HydrophobicContact CD1-CE2 4.49Å; L294-Y416 WeakPolarHBondContact CD1-OH 3.11Å; A298-Y416 HydrophobicContact CB-CE2 4.09Å; T301-Y416 VanDerWaalsContact CG2-CB 3.44Å; T301-Y416 HydrophobicContact CG2-CD2 3.65Å; T301-Y416 HydrophobicContact CG2-CG 3.93Å; I340-Y416 HydrophobicContact CB-CE1 4.23Å; I340-Y416 HydrophobicContact CG1-CD1 4.1Å; I340-Y416 HydrophobicContact CG1-CE1 4.27Å; I340-Y416 HydrophobicContact CG1-CG 4.26Å; I340-Y416 HydrophobicContact CG2-CD1 4.3Å; I340-Y416 HydrophobicContact CG2-CE1 3.63Å; I340-Y416 HydrophobicContact CG2-CE2 3.91Å; I340-Y416 WeakPolarHBondContact CG2-OH 3.14Å; M343-Y416 HydrophobicContact CE-CD1 4.4Å; M343-Y416 HydrophobicContact SD-CD1 4.13Å; T344-Y416 WeakPolarHBondContact OG1-CE1 3.39Å; T344-Y416 PolarHBondContact OG1-OH 3.33Å; M411-Y416 PolarHBondContact O-N 2.85Å; Q412-Y416 WeakPolarHBondContact O-CB 3.47Å; Y416-C419 WeakPolarHBondContact O-CB 3.47Å; Y416-C419 PolarHBondContact O-N 2.9Å; Y416-C419 VanDerWaalsContact O-N 3.13Å; Y416-L420 WeakPolarHBondContact O-CB 3.36Å; Y416-L420 PolarHBondContact O-N 2.84Å |
| 417 | A | 88.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.1 | -47 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M343 L364 Q412 L413 L420 A421 | M343-A417 VanDerWaalsContact CE-CA 3.47Å; M343-A417 HydrophobicContact CE-CB 3.36Å; L364-A417 HydrophobicContact CD1-CB 4.21Å; Q412-A417 PolarHBondContact O-N 3.05Å; L413-A417 WeakPolarHBondContact O-CB 3.39Å; A417-L420 PolarHBondContact O-N 2.99Å; A417-A421 PolarHBondContact O-N 3.04Å |
| 418 | P | 86.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 171.9 | -25 | 36.4 | 0 | 0 | 0 | 113.8 | C23 P27 T30 L31 L413 F415 L420 A421 F422 | C23-P418 HydrophobicContact CB-CG 4.28Å; P27-P418 HydrophobicContact CB-CB 4.47Å; T30-P418 VanDerWaalsContact OG1-CG 3.27Å; T30-P418 WeakPolarHBondContact OG1-CG 3.46Å; L31-P418 HydrophobicContact CD1-CB 4.33Å; L31-P418 HydrophobicContact CD2-CB 3.98Å; L31-P418 HydrophobicContact CG-CB 3.79Å; L413-P418 WeakPolarHBondContact O-CD 3.44Å; F415-P418 WeakPolarHBondContact O-CD 3.39Å; P418-L420 VanDerWaalsContact C-N 3.33Å; P418-L420 PolarHBondContact O-N 3.13Å; P418-A421 WeakPolarHBondContact O-CB 3.21Å; P418-A421 PolarHBondContact O-N 3.45Å; P418-F422 WeakPolarHBondContact O-CB 3.42Å; P418-F422 PolarHBondContact O-N 3.27Å |
| 419 | C | 85.6 | Confident | 82.1 | Confident | 33 Ų | 33 | 28.4 Ų | 28.4 | 22% | 0.223 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.8 | -76.1 | 0 | 0 | 0 | 0 | 111.8 | F415 Y416 F422 D423 | F415-C419 WeakPolarHBondContact O-CB 3.49Å; F415-C419 PolarHBondContact O-N 3.3Å; F415-C419 PolarHBondContact O-SG 3.43Å; Y416-C419 WeakPolarHBondContact O-CB 3.47Å; Y416-C419 PolarHBondContact O-N 2.9Å; Y416-C419 VanDerWaalsContact O-N 3.13Å; C419-F422 PolarHBondContact O-N 2.91Å; C419-D423 PolarHBondContact O-N 3.48Å |
| 420 | L | 83.4 | Confident | 80.6 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.9 | -177.6 | 64 | 0 | 0 | 0 | 111.6 | L294 M343 T344 V347 Y416 A417 P418 F422 D423 L424 | L294-L420 HydrophobicContact CD1-CD1 3.9Å; M343-L420 HydrophobicContact CE-CD2 4.19Å; T344-L420 HydrophobicContact CG2-CD1 4.21Å; V347-L420 HydrophobicContact CB-CD2 3.89Å; V347-L420 HydrophobicContact CG1-CD2 4.06Å; V347-L420 HydrophobicContact CG1-CG 4.49Å; V347-L420 HydrophobicContact CG2-CD2 3.85Å; Y416-L420 WeakPolarHBondContact O-CB 3.36Å; Y416-L420 PolarHBondContact O-N 2.84Å; A417-L420 PolarHBondContact O-N 2.99Å; P418-L420 VanDerWaalsContact C-N 3.33Å; P418-L420 PolarHBondContact O-N 3.13Å; L420-F422 VanDerWaalsContact C-N 3.31Å; L420-F422 PolarHBondContact O-N 2.66Å; L420-D423 PolarHBondContact O-N 3Å; L420-L424 HydrophobicContact CD1-CD1 4.3Å; L420-L424 HydrophobicContact CG-CD1 4.01Å; L420-L424 WeakPolarHBondContact O-CB 3.32Å; L420-L424 WeakPolarHBondContact O-CD1 3.35Å; L420-L424 VanDerWaalsContact O-CG 3.32Å; L420-L424 WeakPolarHBondContact O-CG 3.32Å; L420-L424 PolarHBondContact O-N 3.4Å |
| 421 | A | 82.5 | Confident | 79.4 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C24 V360 A417 P418 A425 | C24-A421 WeakPolarHBondContact SG-CB 3.29Å; V360-A421 HydrophobicContact CG1-CB 4.45Å; V360-A421 HydrophobicContact CG2-CB 3.91Å; A417-A421 PolarHBondContact O-N 3.04Å; P418-A421 WeakPolarHBondContact O-CB 3.21Å; P418-A421 PolarHBondContact O-N 3.45Å; A421-A425 WeakPolarHBondContact O-CB 3.32Å; A421-A425 PolarHBondContact O-N 3.32Å |
| 422 | F | 81.9 | Confident | 78.3 | Confident | 100 Ų | 100 | 43.2 Ų | 43.2 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 177.1 | -175 | -96.5 | 0 | 0 | 0 | 112.2 | P418 C419 L420 L424 A425 R426 | P418-F422 WeakPolarHBondContact O-CB 3.42Å; P418-F422 PolarHBondContact O-N 3.27Å; C419-F422 PolarHBondContact O-N 2.91Å; L420-F422 VanDerWaalsContact C-N 3.31Å; L420-F422 PolarHBondContact O-N 2.66Å; F422-L424 PolarHBondContact O-N 3.07Å; F422-A425 WeakPolarHBondContact O-CB 3.44Å; F422-A425 PolarHBondContact O-N 3.44Å; F422-R426 PolarHBondContact O-N 2.98Å |
| 423 | D | 80.1 | Confident | 76.9 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.064 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 177.8 | -167.3 | 62.7 | 0 | 0 | 0 | 111.7 | V288 C419 L420 A425 R426 | V288-D423 WeakPolarHBondContact CG1-OD2 3.46Å; C419-D423 PolarHBondContact O-N 3.48Å; L420-D423 PolarHBondContact O-N 3Å; D423-A425 VanDerWaalsContact C-N 3.29Å; D423-A425 PolarHBondContact O-N 3.38Å; D423-R426 VanDerWaalsContact O-CB 3.29Å; D423-R426 WeakPolarHBondContact O-CB 3.14Å; D423-R426 PolarHBondContact O-N 3.5Å; D423-R426 VanDerWaalsContact O-N 3.07Å |
| 424 | L | 77.6 | Confident | 75.6 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.3 | -30.9 | 173.9 | -72.8 | 163.7 | 0 | 0 | 0 | 113.2 | V347 V356 V360 L420 F422 R426 F427 | V347-L424 HydrophobicContact CG1-CD1 3.32Å; V356-L424 HydrophobicContact CG1-CB 3.71Å; V360-L424 HydrophobicContact CG2-CD1 3.7Å; L420-L424 HydrophobicContact CD1-CD1 4.3Å; L420-L424 HydrophobicContact CG-CD1 4.01Å; L420-L424 WeakPolarHBondContact O-CB 3.32Å; L420-L424 WeakPolarHBondContact O-CD1 3.35Å; L420-L424 VanDerWaalsContact O-CG 3.32Å; L420-L424 WeakPolarHBondContact O-CG 3.32Å; L420-L424 PolarHBondContact O-N 3.4Å; F422-L424 PolarHBondContact O-N 3.07Å; L424-R426 PolarHBondContact O-N 2.98Å; L424-F427 HydrophobicContact CD2-CD2 4.29Å; L424-F427 HydrophobicContact CD2-CE2 4.03Å; L424-F427 WeakPolarHBondContact O-CD2 3.47Å |
| 425 | A | 76.2 | Confident | 74.3 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 53% | 0.529 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69 | -21 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V356 A421 F422 D423 F427 | V356-A425 HydrophobicContact CG1-CB 4.3Å; A421-A425 WeakPolarHBondContact O-CB 3.32Å; A421-A425 PolarHBondContact O-N 3.32Å; F422-A425 WeakPolarHBondContact O-CB 3.44Å; F422-A425 PolarHBondContact O-N 3.44Å; D423-A425 VanDerWaalsContact C-N 3.29Å; D423-A425 PolarHBondContact O-N 3.38Å; A425-F427 VanDerWaalsContact C-N 3.3Å; A425-F427 PolarHBondContact O-N 3.21Å |
| 426 | R | 76.1 | Confident | 72.7 | Confident | 146 Ų | 146 | 51.7 Ų | 51.7 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.9 | -179 | -151.5 | 179.6 | -179.5 | -164.1 | 0.1 | 113.6 | K289 F422 D423 L424 G428 | K289-R426 HydrophobicContact CD-CB 4.14Å; K289-R426 HydrophobicContact CD-CG 4.01Å; K289-R426 WeakPolarHBondContact CD-O 3.45Å; K289-R426 WeakPolarHBondContact CE-O 3.41Å; K289-R426 PolarHBondContact NZ-O 3.16Å; F422-R426 PolarHBondContact O-N 2.98Å; D423-R426 VanDerWaalsContact O-CB 3.29Å; D423-R426 WeakPolarHBondContact O-CB 3.14Å; D423-R426 PolarHBondContact O-N 3.5Å; D423-R426 VanDerWaalsContact O-N 3.07Å; L424-R426 PolarHBondContact O-N 2.98Å; R426-G428 PolarHBondContact O-N 3.39Å |
| 427 | F | 70.2 | Confident | 71 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 10% | 0.101 | 31% | 0.306 | C | S | . | . | trans | -62.7 | 119.7 | 175.8 | -82 | -75.8 | 0 | 0 | 0 | 111.6 | M287 K289 L424 A425 D431 L435 | M287-F427 VanDerWaalsContact O-CZ 3.25Å; M287-F427 WeakPolarHBondContact O-CZ 3.42Å; K289-F427 HydrophobicContact CB-CE1 4.21Å; K289-F427 HydrophobicContact CB-CZ 4.22Å; L424-F427 HydrophobicContact CD2-CD2 4.29Å; L424-F427 HydrophobicContact CD2-CE2 4.03Å; L424-F427 WeakPolarHBondContact O-CD2 3.47Å; A425-F427 VanDerWaalsContact C-N 3.3Å; A425-F427 PolarHBondContact O-N 3.21Å; F427-D431 HydrophobicContact CD1-CB 3.69Å; F427-D431 HydrophobicContact CE1-CB 4.44Å; F427-L435 HydrophobicContact CE1-CD1 4.38Å | ||
| 428 | G | 64.5 | Low | 69.3 | Low | 18 Ų | 18 | 64.3 Ų | 64.3 | 19% | 0.186 | 34% | 0.336 | C | S | . | . | trans | -74.2 | 166.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R426 R430 D431 K432 | R426-G428 PolarHBondContact O-N 3.39Å; G428-R430 VanDerWaalsContact C-N 3.27Å; G428-R430 PolarHBondContact O-N 2.7Å; G428-D431 PolarHBondContact N-OD2 3.22Å; G428-D431 PolarHBondContact O-N 2.75Å; G428-K432 PolarHBondContact O-N 3.48Å; G428-K432 VanDerWaalsContact O-N 3.16Å | ||
| 429 | P | 62.8 | Low | 67.5 | Low | 115 Ų | 115 | 68.6 Ų | 68.6 | 75% | 0.747 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.5 | -32.9 | 177.6 | 22.2 | -30.9 | 0 | 0 | 0 | 113.1 | K432 A433 | P429-K432 PolarHBondContact O-N 3.45Å; P429-A433 PolarHBondContact O-N 3.29Å |
| 430 | R | 56.4 | Low | 65.3 | Low | 216 Ų | 216 | 71.8 Ų | 71.8 | 82% | 0.815 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.9 | -46.9 | 173.2 | -80 | -174.3 | 174.9 | 172.1 | -1.5 | 112.1 | G428 K432 A433 T434 | G428-R430 VanDerWaalsContact C-N 3.27Å; G428-R430 PolarHBondContact O-N 2.7Å; R430-K432 PolarHBondContact O-N 2.89Å; R430-A433 PolarHBondContact O-N 3.42Å; R430-A433 VanDerWaalsContact O-N 3.07Å; R430-T434 PolarHBondContact O-N 2.81Å; R430-T434 PolarHBondContact O-OG1 2.97Å |
| 431 | D | 64.6 | Low | 63.1 | Low | 53 Ų | 53 | 82.6 Ų | 82.6 | 28% | 0.283 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.9 | -32.5 | 178.7 | -47.9 | -28.4 | 0 | 0 | 0 | 111.6 | K289 F427 G428 T434 L435 | K289-D431 IonicContact NZ-OD2 2.8Å; K289-D431 PolarHBondContact NZ-OD2 3.36Å; F427-D431 HydrophobicContact CD1-CB 3.69Å; F427-D431 HydrophobicContact CE1-CB 4.44Å; G428-D431 PolarHBondContact N-OD2 3.22Å; G428-D431 PolarHBondContact O-N 2.75Å; D431-T434 PolarHBondContact O-OG1 3.38Å; D431-L435 WeakPolarHBondContact O-CD1 3.37Å; D431-L435 VanDerWaalsContact O-CG 3.23Å; D431-L435 WeakPolarHBondContact O-CG 3.45Å; D431-L435 PolarHBondContact O-N 3.3Å |
| 432 | K | 64.6 | Low | 60.9 | Low | 78 Ų | 78 | 87.1 Ų | 87.1 | 34% | 0.339 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70 | -33.9 | 175 | -68.4 | 178.4 | -176.3 | -179.8 | 0 | 112.8 | G428 P429 R430 N436 | G428-K432 PolarHBondContact O-N 3.48Å; G428-K432 VanDerWaalsContact O-N 3.16Å; P429-K432 PolarHBondContact O-N 3.45Å; R430-K432 PolarHBondContact O-N 2.89Å; K432-N436 PolarHBondContact O-N 3.34Å; K432-N436 PolarHBondContact O-ND2 3.16Å; K432-N436 PolarHBondContact O-OD1 2.9Å |
| 433 | A | 59.2 | Low | 58.8 | Low | 54 Ų | 54 | 88.9 Ų | 88.9 | 45% | 0.446 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.1 | -45.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P429 R430 L435 N436 D437 | P429-A433 PolarHBondContact O-N 3.29Å; R430-A433 PolarHBondContact O-N 3.42Å; R430-A433 VanDerWaalsContact O-N 3.07Å; A433-L435 VanDerWaalsContact C-N 3.29Å; A433-L435 PolarHBondContact O-N 2.91Å; A433-N436 WeakPolarHBondContact O-CB 3.15Å; A433-N436 PolarHBondContact O-N 2.75Å; A433-N436 VanDerWaalsContact O-N 3.09Å; A433-D437 PolarHBondContact O-N 3.47Å; A433-D437 VanDerWaalsContact O-N 3.14Å |
| 434 | T | 60.6 | Low | 56.8 | Low | 86 Ų | 86 | 92.6 Ų | 92.6 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.8 | -40.8 | 176.7 | 48.5 | 0 | 0 | 0 | 0 | 112 | R430 D431 N436 D437 E438 | R430-T434 PolarHBondContact O-N 2.81Å; R430-T434 PolarHBondContact O-OG1 2.97Å; D431-T434 PolarHBondContact O-OG1 3.38Å; T434-N436 VanDerWaalsContact C-N 3.34Å; T434-N436 PolarHBondContact O-N 2.75Å; T434-D437 PolarHBondContact O-N 3.39Å; T434-E438 PolarHBondContact O-N 3.07Å |
| 435 | L | 58.8 | Low | 55.1 | Low | 18 Ų | 18 | 102.4 Ų | 102.4 | 9% | 0.094 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -68.5 | -29 | 176.7 | -69.3 | 173.6 | 0 | 0 | 0 | 113.9 | M287 T352 F427 D431 A433 R439 | M287-L435 HydrophobicContact CE-CB 4.14Å; M287-L435 HydrophobicContact CE-CD1 4.23Å; M287-L435 HydrophobicContact CE-CD2 3.79Å; M287-L435 HydrophobicContact CE-CG 4.26Å; M287-L435 HydrophobicContact CG-CD1 3.76Å; M287-L435 HydrophobicContact CG-CD2 3.44Å; M287-L435 VanDerWaalsContact CG-CD2 3.44Å; M287-L435 HydrophobicContact CG-CG 4.22Å; M287-L435 HydrophobicContact SD-CD1 4.08Å; M287-L435 HydrophobicContact SD-CD2 4.27Å; T352-L435 HydrophobicContact CG2-CB 4.06Å; T352-L435 HydrophobicContact CG2-CD1 4.13Å; F427-L435 HydrophobicContact CE1-CD1 4.38Å; D431-L435 WeakPolarHBondContact O-CD1 3.37Å; D431-L435 VanDerWaalsContact O-CG 3.23Å; D431-L435 WeakPolarHBondContact O-CG 3.45Å; D431-L435 PolarHBondContact O-N 3.3Å; A433-L435 VanDerWaalsContact C-N 3.29Å; A433-L435 PolarHBondContact O-N 2.91Å; L435-R439 PolarHBondContact O-N 3.18Å |
| 436 | N | 57.6 | Low | 53.6 | Low | 55 Ų | 55 | 107.2 Ų | 107.2 | 29% | 0.294 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73.3 | -37.8 | 176.4 | -75.1 | -12.5 | 0 | 0 | 0 | 111.7 | T352 K432 A433 T434 R439 S440 | T352-N436 WeakPolarHBondContact CB-OD1 3.24Å; T352-N436 PolarHBondContact OG1-OD1 3.37Å; K432-N436 PolarHBondContact O-N 3.34Å; K432-N436 PolarHBondContact O-ND2 3.16Å; K432-N436 PolarHBondContact O-OD1 2.9Å; A433-N436 WeakPolarHBondContact O-CB 3.15Å; A433-N436 PolarHBondContact O-N 2.75Å; A433-N436 VanDerWaalsContact O-N 3.09Å; T434-N436 VanDerWaalsContact C-N 3.34Å; T434-N436 PolarHBondContact O-N 2.75Å; N436-R439 PolarHBondContact O-N 3.3Å; N436-S440 PolarHBondContact O-N 3.11Å; N436-S440 VanDerWaalsContact O-N 3.1Å; N436-S440 PolarHBondContact O-OG 3.48Å |
| 437 | D | 53.6 | Low | 52.2 | Low | 133 Ų | 133 | 102.9 Ų | 102.9 | 71% | 0.711 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 177.7 | -92.5 | -5.4 | 0 | 0 | 0 | 111.8 | A433 T434 R439 | A433-D437 PolarHBondContact O-N 3.47Å; A433-D437 VanDerWaalsContact O-N 3.14Å; T434-D437 PolarHBondContact O-N 3.39Å; D437-R439 PolarHBondContact O-N 3.02Å |
| 438 | E | 51.5 | Low | 51.3 | Low | 136 Ų | 136 | 104.9 Ų | 104.9 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65 | -38.9 | 177.7 | -73.3 | 178.5 | 171.1 | 0 | 0 | 112.8 | T434 | T434-E438 PolarHBondContact O-N 3.07Å |
| 439 | R | 49.2 | Very low | 50.4 | Low | 90 Ų | 90 | 113.5 Ų | 113.5 | 34% | 0.34 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -87.7 | -13.5 | -176.2 | -92.8 | -169.9 | -177.3 | 179.6 | 8.1 | 115.7 | V348 S349 L435 N436 D437 R441 T442 | V348-R439 PolarHBondContact O-NH2 2.81Å; S349-R439 PolarHBondContact O-NH1 3.3Å; L435-R439 PolarHBondContact O-N 3.18Å; N436-R439 PolarHBondContact O-N 3.3Å; D437-R439 PolarHBondContact O-N 3.02Å; R439-R441 PolarHBondContact O-N 3.29Å; R439-T442 PolarHBondContact O-N 3.32Å; R439-T442 PolarHBondContact O-OG1 3.36Å |
| 440 | S | 41.1 | Very low | 49.9 | Very low | 100 Ų | 100 | 110.1 Ų | 110.1 | 70% | 0.699 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -10.7 | 173.8 | -63.5 | 0 | 0 | 0 | 0 | 113 | N436 | N436-S440 PolarHBondContact O-N 3.11Å; N436-S440 VanDerWaalsContact O-N 3.1Å; N436-S440 PolarHBondContact O-OG 3.48Å |
| 441 | R | 37.1 | Very low | 49.4 | Very low | 231 Ų | 231 | 102 Ų | 102 | 87% | 0.872 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -2.5 | 175.4 | -69.6 | -179.2 | 175 | 166.7 | -0.3 | 115.7 | R439 | R439-R441 PolarHBondContact O-N 3.29Š|
| 442 | T | 35.2 | Very low | 48.1 | Very low | 99 Ų | 99 | 106.8 Ų | 106.8 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -130.7 | 135.6 | 179.6 | 51.9 | 0 | 0 | 0 | 0 | 112.5 | R439 A444 | R439-T442 PolarHBondContact O-N 3.32Å; R439-T442 PolarHBondContact O-OG1 3.36Å; T442-A444 PolarHBondContact O-N 2.89Å |
| 443 | V | 38.6 | Very low | 47.1 | Very low | 137 Ų | 137 | 106.1 Ų | 106.1 | 83% | 0.83 | 56% | 0.556 | S | S | * | * | trans | -44.9 | 129.1 | -173.9 | -179.6 | 0 | 0 | 0 | 0 | 112.7 | Y445 | V443-Y445 PolarHBondContact O-N 3.38Š| ||
| 444 | A | 37 | Very low | 45.8 | Very low | 90 Ų | 90 | 108 Ų | 108 | 74% | 0.744 | 56% | 0.561 | S | S | * | * | trans | -63.6 | 122.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T442 | T442-A444 PolarHBondContact O-N 2.89Š| ||
| 445 | Y | 42.7 | Very low | 44.4 | Very low | 209 Ų | 209 | 107.3 Ų | 107.3 | 82% | 0.82 | 56% | 0.56 | S | S | * | * | trans | -68.5 | 129.1 | 168.6 | -76.6 | -86.1 | 0 | 0 | 0 | 109.8 | V443 L447 | V443-Y445 PolarHBondContact O-N 3.38Å; Y445-L447 PolarHBondContact O-N 3.31Å; Y445-L447 VanDerWaalsContact O-N 3.16Å | ||
| 446 | D | 45.3 | Very low | 43.4 | Very low | 165 Ų | 165 | 111 Ų | 111 | 88% | 0.882 | 59% | 0.585 | S | S | * | * | trans | -65.6 | 110.9 | 166.8 | -84.2 | -34 | 0 | 0 | 0 | 109.3 | ||||
| 447 | L | 46.3 | Very low | 42.2 | Very low | 54 Ų | 54 | 115.5 Ų | 115.5 | 28% | 0.283 | 60% | 0.602 | S | S | . | * | trans | -84.3 | 132.3 | 179.8 | -69.1 | 131 | 0 | 0 | 0 | 110.1 | T350 P351 L354 H362 Y445 K449 | T350-L447 HydrophobicContact CG2-CD2 4.45Å; P351-L447 HydrophobicContact CG-CD1 3.33Å; L354-L447 HydrophobicContact CD1-CD1 4.47Å; H362-L447 WeakPolarHBondContact CE1-CD2 3.32Å; H362-L447 VanDerWaalsContact ND1-CD2 3.25Å; H362-L447 WeakPolarHBondContact ND1-CD2 3.42Å; H362-L447 WeakPolarHBondContact NE2-CB 3.33Å; Y445-L447 PolarHBondContact O-N 3.31Å; Y445-L447 VanDerWaalsContact O-N 3.16Å; L447-K449 PolarHBondContact O-N 2.85Å | ||
| 448 | P | 51.6 | Low | 41.4 | Very low | 66 Ų | 66 | 117 Ų | 117 | 43% | 0.429 | 60% | 0.602 | S | S | . | * | trans | -56.7 | 128.2 | 171.5 | 15.4 | -27.9 | 0 | 0 | 0 | 110.7 | H362 Y450 | H362-P448 PolarHBondContact CD2-O 2.77Å; H362-P448 VanDerWaalsContact CE1-CD 3.48Å; H362-P448 WeakPolarHBondContact CE1-CD 3.37Å; H362-P448 VanDerWaalsContact NE2-CD 3.32Å; H362-P448 WeakPolarHBondContact NE2-CD 3.33Å; H362-P448 WeakPolarHBondContact NE2-CG 3.22Å; H362-P448 PolarHBondContact NE2-O 3.24Å; P448-Y450 HydrophobicContact CB-CE2 4.17Å; P448-Y450 HydrophobicContact CG-CE2 4.05Å; P448-Y450 WeakPolarHBondContact O-CD2 2.93Å | ||
| 449 | K | 43.8 | Very low | 41 | Very low | 199 Ų | 199 | 114.9 Ų | 114.9 | 87% | 0.865 | 61% | 0.608 | S | S | * | * | trans | -84.6 | 115.7 | -179.2 | -69.8 | 178.1 | -179.6 | 175.6 | 0 | 109.2 | L447 | L447-K449 PolarHBondContact O-N 2.85Š| ||
| 450 | Y | 52.7 | Low | 40.3 | Very low | 43 Ų | 43 | 119 Ų | 119 | 17% | 0.169 | 63% | 0.629 | C | S | . | * | trans | -105 | 143.6 | 176.1 | -57.7 | -73.9 | 0 | 0 | 0 | 110.9 | A13 H14 Y17 H362 P448 | A13-Y450 HydrophobicContact CB-CE1 4.25Å; H14-Y450 AromaticContact CD2-CD1 3.79Å; Y17-Y450 VanDerWaalsContact CD1-CB 3.46Å; Y17-Y450 HydrophobicContact CD1-CD2 4.47Å; Y17-Y450 HydrophobicContact CD1-CG 4.07Å; Y17-Y450 AromaticContact CD2-CD2 3.2Å; Y17-Y450 HydrophobicContact CD2-CD2 3.2Å; Y17-Y450 AromaticContact CD2-CE2 3.93Å; Y17-Y450 HydrophobicContact CD2-CE2 3.93Å; Y17-Y450 AromaticContact CD2-CG 3.64Å; Y17-Y450 HydrophobicContact CD2-CG 3.64Å; Y17-Y450 HydrophobicContact CE1-CG 4.49Å; Y17-Y450 AromaticContact CE2-CD2 3.63Å; Y17-Y450 HydrophobicContact CE2-CD2 3.63Å; Y17-Y450 HydrophobicContact CE2-CG 4.1Å; Y17-Y450 HydrophobicContact CG-CD1 4.39Å; Y17-Y450 AromaticContact CG-CD2 3.7Å; Y17-Y450 HydrophobicContact CG-CD2 3.7Å; Y17-Y450 HydrophobicContact CG-CE2 4.46Å; Y17-Y450 AromaticContact CG-CG 3.63Å; Y17-Y450 HydrophobicContact CG-CG 3.63Å; H362-Y450 AromaticContact CD2-CD2 3.82Å; H362-Y450 AromaticContact CD2-CE2 3.62Å; H362-Y450 AromaticContact NE2-CE2 3.68Å; P448-Y450 HydrophobicContact CB-CE2 4.17Å; P448-Y450 HydrophobicContact CG-CE2 4.05Å; P448-Y450 WeakPolarHBondContact O-CD2 2.93Å | ||
| 451 | S | 45.6 | Very low | 39.9 | Very low | 45 Ų | 45 | 122.3 Ų | 122.3 | 32% | 0.315 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 146.1 | 179.6 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | H14 | H14-S451 PolarHBondContact CE1-OG 3.38Å; H14-S451 PolarHBondContact NE2-OG 3.25Å |
| 452 | Q | 39 | Very low | 39.6 | Very low | 154 Ų | 154 | 114.1 Ų | 114.1 | 72% | 0.72 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 143.1 | -175.6 | -69.7 | -172.6 | -12.5 | 0 | 0 | 113.6 | ||
| 453 | V | 41.8 | Very low | 39.1 | Very low | 64 Ų | 64 | 120.2 Ų | 120.2 | 39% | 0.388 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -70.5 | 130.8 | -175.2 | 178.5 | 0 | 0 | 0 | 0 | 112.5 | K18 R21 | K18-V453 HydrophobicContact CG-CG2 4.5Å; R21-V453 HydrophobicContact CB-CG2 3.92Å; R21-V453 HydrophobicContact CG-CG2 4.33Å |
| 454 | V | 33.6 | Very low | 38.5 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 56% | 0.564 | 63% | 0.63 | S | S | * | * | trans | -109.3 | 122.4 | 160.3 | 175.2 | 0 | 0 | 0 | 0 | 107.7 | P456 | V454-P456 WeakPolarHBondContact O-CD 3.33Š| ||
| 455 | C | 31.3 | Very low | 38.2 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 49% | 0.493 | 63% | 0.63 | S | S | . | * | trans | -65.8 | 116.8 | -178 | -61.7 | 0 | 0 | 0 | 0 | 109.7 | F457 K458 | C455-F457 PolarHBondContact O-N 2.74Å; C455-K458 HydrophobicContact CB-CB 4.41Å; C455-K458 WeakPolarHBondContact O-CB 3.3Å; C455-K458 PolarHBondContact O-N 2.66Å; C455-K458 VanDerWaalsContact O-N 3.17Å | ||
| 456 | P | 36.2 | Very low | 37.3 | Very low | 96 Ų | 96 | 118.3 Ų | 118.3 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -32.4 | -178.3 | 23.8 | -32 | 0 | 0 | 0 | 111.9 | V454 K458 A459 | V454-P456 WeakPolarHBondContact O-CD 3.33Å; P456-K458 PolarHBondContact O-N 3.41Å; P456-A459 WeakPolarHBondContact O-CB 3.25Å; P456-A459 PolarHBondContact O-N 3.22Å; P456-A459 VanDerWaalsContact O-N 3.08Å |
| 457 | F | 32.5 | Very low | 36.4 | Very low | 149 Ų | 149 | 119.4 Ų | 119.4 | 65% | 0.654 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.1 | -16.5 | 178.6 | -67.1 | -76.1 | 0 | 0 | 0 | 114.7 | C455 A459 F460 F461 | C455-F457 PolarHBondContact O-N 2.74Å; F457-A459 PolarHBondContact O-N 3.26Å; F457-F460 PolarHBondContact O-N 3.41Å; F457-F461 PolarHBondContact O-N 2.72Å |
| 458 | K | 38 | Very low | 35.4 | Very low | 163 Ų | 163 | 126 Ų | 126 | 71% | 0.709 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.8 | -27.5 | 172 | -129.2 | -176 | -176.5 | -173.2 | 0 | 111.2 | C455 P456 | C455-K458 HydrophobicContact CB-CB 4.41Å; C455-K458 WeakPolarHBondContact O-CB 3.3Å; C455-K458 PolarHBondContact O-N 2.66Å; C455-K458 VanDerWaalsContact O-N 3.17Å; P456-K458 PolarHBondContact O-N 3.41Å |
| 459 | A | 41.5 | Very low | 34.1 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 76% | 0.76 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78.7 | -33.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | P456 F457 | P456-A459 WeakPolarHBondContact O-CB 3.25Å; P456-A459 PolarHBondContact O-N 3.22Å; P456-A459 VanDerWaalsContact O-N 3.08Å; F457-A459 PolarHBondContact O-N 3.26Å |
| 460 | F | 35.9 | Very low | 33.2 | Very low | 178 Ų | 178 | 126 Ų | 126 | 78% | 0.781 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -81.2 | -33.2 | -172.3 | -136.8 | -89 | 0 | 0 | 0 | 114.3 | F457 | F457-F460 PolarHBondContact O-N 3.41Å |
| 461 | F | 32.4 | Very low | 31.9 | Very low | 168 Ų | 168 | 130 Ų | 130 | 74% | 0.737 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -107.1 | 12.2 | -174.9 | -94 | -75.6 | 0 | 0 | 0 | 116 | F457 W463 | F457-F461 PolarHBondContact O-N 2.72Å; F461-W463 PolarHBondContact O-N 3.37Å |
| 462 | G | 30.6 | Very low | 30.9 | Very low | 59 Ų | 59 | 136.2 Ų | 136.2 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | trans | 53.7 | 23.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | K464 | G462-K464 PolarHBondContact O-N 2.76Š| ||
| 463 | W | 24.1 | Very low | 30.3 | Very low | 227 Ų | 227 | 133.8 Ų | 133.8 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | trans | -69 | 102.5 | -177.6 | -159.4 | -61.2 | 0 | 0 | 0 | 108.9 | F461 S465 | F461-W463 PolarHBondContact O-N 3.37Å; W463-S465 PolarHBondContact O-N 2.72Å | ||
| 464 | K | 26.3 | Very low | 29.6 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | trans | -53.6 | 121.2 | 175.5 | -77.9 | -177 | 175.9 | 180 | 0 | 108.9 | G462 S466 | G462-K464 PolarHBondContact O-N 2.76Å; K464-S466 PolarHBondContact O-N 3.3Å | ||
| 465 | S | 30.2 | Very low | 29.4 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | -56.9 | 112.5 | 176.6 | -171.5 | 0 | 0 | 0 | 0 | 109.4 | W463 K467 | W463-S465 PolarHBondContact O-N 2.72Å; S465-K467 PolarHBondContact O-N 3.34Å | ||
| 466 | S | 25.1 | Very low | 29.5 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | -63.7 | 119.5 | 162.7 | 159.7 | 0 | 0 | 0 | 0 | 108.5 | K464 | K464-S466 PolarHBondContact O-N 3.3Š| ||
| 467 | K | 25.8 | Very low | 29.4 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | trans | 58.7 | 105.5 | 159.9 | -66.3 | -176.7 | 175.3 | -178.7 | 0 | 116.4 | S465 M469 | S465-K467 PolarHBondContact O-N 3.34Å; K467-M469 PolarHBondContact O-N 3.34Å; K467-M469 VanDerWaalsContact O-N 3.16Å | ||
| 468 | E | 25.7 | Very low | 29.3 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | trans | -33.2 | 115.5 | 151.5 | -72.2 | 164.9 | 144.4 | 0 | 0 | 110.3 | A470 | E468-A470 PolarHBondContact O-N 3.3Š| ||
| 469 | M | 24.3 | Very low | 29 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 116.2 | 162.2 | -166.1 | 98.2 | 155.1 | 0 | 0 | 105.7 | K467 | K467-M469 PolarHBondContact O-N 3.34Å; K467-M469 VanDerWaalsContact O-N 3.16Å |
| 470 | A | 25 | Very low | 28.6 | Very low | 79 Ų | 79 | 143.6 Ų | 143.6 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 137.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111 | E468 M472 | E468-A470 PolarHBondContact O-N 3.3Å; A470-M472 PolarHBondContact O-N 3.36Å |
| 471 | P | 25.3 | Very low | 28.7 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 124.4 | -177.6 | 24.2 | -31.8 | 0 | 0 | 0 | 109.4 | ||
| 472 | M | 24.3 | Very low | 28.7 | Very low | 177 Ų | 177 | 141 Ų | 141 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 141.3 | 170.5 | -81.3 | -158 | -69.3 | 0 | 0 | 109.5 | A470 | A470-M472 PolarHBondContact O-N 3.36Š|
| 473 | P | 26.2 | Very low | 28.8 | Very low | 103 Ų | 103 | 145.1 Ų | 145.1 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 154.4 | -176.9 | 27.1 | -34.7 | 0 | 0 | 0 | 111.5 | V475 | P473-V475 PolarHBondContact O-N 3.39Å; P473-V475 VanDerWaalsContact O-N 3.15Å |
| 474 | P | 28.3 | Very low | 29.5 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | -68.2 | 114.9 | -170.2 | 28.3 | -32.8 | 0 | 0 | 0 | 109.6 | ||||
| 475 | V | 29.4 | Very low | 30.2 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 70% | 0.703 | 70% | 0.704 | S | S | * | * | trans | -104.9 | 114.4 | 170.2 | 176 | 0 | 0 | 0 | 0 | 107.2 | P473 E477 | P473-V475 PolarHBondContact O-N 3.39Å; P473-V475 VanDerWaalsContact O-N 3.15Å; V475-E477 PolarHBondContact O-N 3.09Å | ||
| 476 | D | 31.7 | Very low | 30.4 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | trans | -18.7 | 103.5 | -178.4 | -68.3 | -38.4 | 0 | 0 | 0 | 115.7 | G478 R479 | D476-G478 PolarHBondContact O-N 3.19Å; D476-R479 PolarHBondContact O-N 3.32Å | ||
| 477 | E | 34.2 | Very low | 30.9 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -59.7 | -28.6 | -179.8 | -69.3 | -171.6 | 144.6 | 0 | 0 | 112.9 | V475 R479 K480 E481 | V475-E477 PolarHBondContact O-N 3.09Å; E477-R479 VanDerWaalsContact C-N 3.29Å; E477-R479 PolarHBondContact O-N 3.41Å; E477-K480 PolarHBondContact O-N 2.88Å; E477-K480 VanDerWaalsContact O-N 3.13Å; E477-E481 PolarHBondContact O-N 2.95Å; E477-E481 VanDerWaalsContact O-N 3.07Å |
| 478 | G | 30.7 | Very low | 31.4 | Very low | 45 Ų | 45 | 129.9 Ų | 129.9 | 46% | 0.464 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -61.8 | -31.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D476 Q482 | D476-G478 PolarHBondContact O-N 3.19Å; G478-Q482 WeakPolarHBondContact O-CB 3.07Å; G478-Q482 PolarHBondContact O-N 3.33Å |
| 479 | R | 32.6 | Very low | 31.7 | Very low | 195 Ų | 195 | 123.7 Ų | 123.7 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -79.3 | -25.6 | 179.5 | -152 | 176.7 | -170.1 | -171 | 4.6 | 112.4 | D476 E477 K483 | D476-R479 PolarHBondContact O-N 3.32Å; E477-R479 VanDerWaalsContact C-N 3.29Å; E477-R479 PolarHBondContact O-N 3.41Å; R479-K483 WeakPolarHBondContact O-CB 3.33Å; R479-K483 PolarHBondContact O-N 3.42Å |
| 480 | K | 32.5 | Very low | 32.1 | Very low | 151 Ų | 151 | 119.2 Ų | 119.2 | 66% | 0.657 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.5 | -40.5 | 172.3 | -81.9 | -177.9 | 179.6 | 169.9 | 0 | 111.2 | E477 K483 A484 | E477-K480 PolarHBondContact O-N 2.88Å; E477-K480 VanDerWaalsContact O-N 3.13Å; K480-K483 PolarHBondContact O-N 3.12Å; K480-A484 WeakPolarHBondContact O-CB 3.39Å; K480-A484 PolarHBondContact O-N 3Å |
| 481 | E | 37.9 | Very low | 32.5 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 66% | 0.664 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.1 | -42.8 | 175.4 | -70.5 | -170.3 | 157.2 | 0 | 0 | 111.7 | E477 K483 A484 A485 | E477-E481 PolarHBondContact O-N 2.95Å; E477-E481 VanDerWaalsContact O-N 3.07Å; E481-K483 PolarHBondContact O-N 3.31Å; E481-A484 PolarHBondContact O-N 2.67Å; E481-A485 VanDerWaalsContact O-CB 3.22Å; E481-A485 WeakPolarHBondContact O-CB 3.4Å; E481-A485 PolarHBondContact O-N 3.08Å |
| 482 | Q | 32.3 | Very low | 32.7 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 69% | 0.692 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.3 | -39.8 | 173.6 | -83.5 | -176.1 | -14.6 | 0 | 0 | 112.7 | G478 K486 | G478-Q482 WeakPolarHBondContact O-CB 3.07Å; G478-Q482 PolarHBondContact O-N 3.33Å; Q482-K486 WeakPolarHBondContact O-CB 3.42Å; Q482-K486 PolarHBondContact O-N 3.05Å |
| 483 | K | 33 | Very low | 33 | Very low | 146 Ų | 146 | 119.6 Ų | 119.6 | 64% | 0.635 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.8 | -41.9 | 173.2 | -89.9 | -172.9 | 171.9 | -174.4 | 0 | 112.1 | R479 K480 E481 K486 E487 | R479-K483 WeakPolarHBondContact O-CB 3.33Å; R479-K483 PolarHBondContact O-N 3.42Å; K480-K483 PolarHBondContact O-N 3.12Å; E481-K483 PolarHBondContact O-N 3.31Å; K483-K486 PolarHBondContact O-N 3.2Å; K483-E487 VanDerWaalsContact O-CB 3.28Å; K483-E487 WeakPolarHBondContact O-CB 3.4Å; K483-E487 WeakPolarHBondContact O-CG 3.3Å; K483-E487 PolarHBondContact O-N 3.38Å |
| 484 | A | 39.9 | Very low | 33.2 | Very low | 44 Ų | 44 | 122.4 Ų | 122.4 | 36% | 0.364 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.5 | -37.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | K480 E481 Q488 | K480-A484 WeakPolarHBondContact O-CB 3.39Å; K480-A484 PolarHBondContact O-N 3Å; E481-A484 PolarHBondContact O-N 2.67Å; A484-Q488 VanDerWaalsContact O-CB 3.26Å; A484-Q488 WeakPolarHBondContact O-CB 3.29Å; A484-Q488 VanDerWaalsContact O-CG 3.27Å; A484-Q488 WeakPolarHBondContact O-CG 3.1Å; A484-Q488 PolarHBondContact O-N 3.26Å |
| 485 | A | 40 | Very low | 33.7 | Very low | 55 Ų | 55 | 119.3 Ų | 119.3 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.7 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E481 Q488 S489 | E481-A485 VanDerWaalsContact O-CB 3.22Å; E481-A485 WeakPolarHBondContact O-CB 3.4Å; E481-A485 PolarHBondContact O-N 3.08Å; A485-Q488 PolarHBondContact O-N 2.95Å; A485-S489 PolarHBondContact O-N 3.24Å; A485-S489 PolarHBondContact O-OG 3.37Å |
| 486 | K | 34.3 | Very low | 33.7 | Very low | 141 Ų | 141 | 116.7 Ų | 116.7 | 61% | 0.613 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.4 | -41.9 | 176.8 | -151.8 | 176.2 | -170.9 | -176.6 | 0 | 111.4 | Q482 K483 S489 E490 | Q482-K486 WeakPolarHBondContact O-CB 3.42Å; Q482-K486 PolarHBondContact O-N 3.05Å; K483-K486 PolarHBondContact O-N 3.2Å; K486-S489 WeakPolarHBondContact CA-OG 3.4Å; K486-S489 PolarHBondContact O-N 3.49Å; K486-S489 PolarHBondContact O-OG 3Å; K486-E490 PolarHBondContact O-N 3.02Å |
| 487 | E | 36.2 | Very low | 33.6 | Very low | 123 Ų | 123 | 113.6 Ų | 113.6 | 58% | 0.575 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.8 | -43.5 | 169.7 | -82.8 | -179.1 | 166.7 | 0 | 0 | 111.3 | K483 S489 E490 I491 | K483-E487 VanDerWaalsContact O-CB 3.28Å; K483-E487 WeakPolarHBondContact O-CB 3.4Å; K483-E487 WeakPolarHBondContact O-CG 3.3Å; K483-E487 PolarHBondContact O-N 3.38Å; E487-S489 PolarHBondContact O-N 2.95Å; E487-E490 PolarHBondContact O-N 3.08Å; E487-I491 HydrophobicContact CB-CD1 4.42Å; E487-I491 VanDerWaalsContact O-CB 3.24Å; E487-I491 WeakPolarHBondContact O-CB 3.45Å; E487-I491 VanDerWaalsContact O-CD1 3.26Å; E487-I491 WeakPolarHBondContact O-CD1 3.18Å; E487-I491 WeakPolarHBondContact O-CG1 3.18Å; E487-I491 PolarHBondContact O-N 3.49Å |
| 488 | Q | 34.9 | Very low | 33.6 | Very low | 129 Ų | 129 | 108.4 Ų | 108.4 | 60% | 0.603 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.1 | -36.5 | 176.8 | -84.1 | 178.5 | -4.2 | 0 | 0 | 113.1 | A484 A485 R492 | A484-Q488 VanDerWaalsContact O-CB 3.26Å; A484-Q488 WeakPolarHBondContact O-CB 3.29Å; A484-Q488 VanDerWaalsContact O-CG 3.27Å; A484-Q488 WeakPolarHBondContact O-CG 3.1Å; A484-Q488 PolarHBondContact O-N 3.26Å; A485-Q488 PolarHBondContact O-N 2.95Å; Q488-R492 PolarHBondContact O-N 2.94Å |
| 489 | S | 32.5 | Very low | 33.6 | Very low | 64 Ų | 64 | 111.7 Ų | 111.7 | 45% | 0.448 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.5 | -42.8 | 174.3 | 60.9 | 0 | 0 | 0 | 0 | 111.9 | A485 K486 E487 I491 R492 V493 | A485-S489 PolarHBondContact O-N 3.24Å; A485-S489 PolarHBondContact O-OG 3.37Å; K486-S489 WeakPolarHBondContact CA-OG 3.4Å; K486-S489 PolarHBondContact O-N 3.49Å; K486-S489 PolarHBondContact O-OG 3Å; E487-S489 PolarHBondContact O-N 2.95Å; S489-I491 VanDerWaalsContact C-N 3.32Å; S489-I491 PolarHBondContact O-N 2.68Å; S489-R492 PolarHBondContact O-N 3.45Å; S489-V493 WeakPolarHBondContact O-CG2 3.29Å; S489-V493 PolarHBondContact O-N 3.5Å |
| 490 | E | 32.1 | Very low | 33.3 | Very low | 92 Ų | 92 | 106.2 Ų | 106.2 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 175.4 | -76.8 | -176 | -167.1 | 0 | 0 | 111.4 | K486 E487 R494 | K486-E490 PolarHBondContact O-N 3.02Å; E487-E490 PolarHBondContact O-N 3.08Å; E490-R494 WeakPolarHBondContact O-CB 3.18Å; E490-R494 VanDerWaalsContact O-CG 3.28Å; E490-R494 WeakPolarHBondContact O-CG 3.02Å; E490-R494 PolarHBondContact O-N 3.43Å; E490-R494 IonicContact OE2-NH2 3.19Å |
| 491 | I | 34 | Very low | 33.2 | Very low | 91 Ų | 91 | 101.4 Ų | 101.4 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 173.1 | -69.2 | 161.3 | 0 | 0 | 0 | 110.5 | E487 S489 R494 V495 | E487-I491 HydrophobicContact CB-CD1 4.42Å; E487-I491 VanDerWaalsContact O-CB 3.24Å; E487-I491 WeakPolarHBondContact O-CB 3.45Å; E487-I491 VanDerWaalsContact O-CD1 3.26Å; E487-I491 WeakPolarHBondContact O-CD1 3.18Å; E487-I491 WeakPolarHBondContact O-CG1 3.18Å; E487-I491 PolarHBondContact O-N 3.49Å; S489-I491 VanDerWaalsContact C-N 3.32Å; S489-I491 PolarHBondContact O-N 2.68Å; I491-R494 PolarHBondContact O-N 2.89Å; I491-V495 HydrophobicContact CG2-CG2 4.09Å; I491-V495 WeakPolarHBondContact O-CB 3.3Å; I491-V495 WeakPolarHBondContact O-CG2 3.2Å; I491-V495 PolarHBondContact O-N 3.39Å |
| 492 | R | 29.6 | Very low | 32.9 | Very low | 198 Ų | 198 | 98.9 Ų | 98.9 | 75% | 0.747 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 175.9 | -87.3 | -170.8 | -161.8 | -171.2 | 5.7 | 112.2 | Q488 S489 R494 V495 S496 | Q488-R492 PolarHBondContact O-N 2.94Å; S489-R492 PolarHBondContact O-N 3.45Å; R492-R494 VanDerWaalsContact C-N 3.3Å; R492-R494 PolarHBondContact O-N 3.45Å; R492-V495 PolarHBondContact O-N 2.89Å; R492-S496 PolarHBondContact O-N 2.89Å; R492-S496 PolarHBondContact O-OG 3.43Å |
| 493 | V | 31.2 | Very low | 32.7 | Very low | 99 Ų | 99 | 99 Ų | 99 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.9 | -36.7 | 177.3 | 176 | 0 | 0 | 0 | 0 | 110.9 | S489 S496 S497 | S489-V493 WeakPolarHBondContact O-CG2 3.29Å; S489-V493 PolarHBondContact O-N 3.5Å; V493-S496 WeakPolarHBondContact CA-OG 3.16Å; V493-S496 PolarHBondContact O-OG 3.23Å; V493-S497 WeakPolarHBondContact O-CB 3.29Å; V493-S497 PolarHBondContact O-N 3.42Å; V493-S497 VanDerWaalsContact O-N 3.1Å; V493-S497 PolarHBondContact O-OG 3.25Å |
| 494 | R | 30.1 | Very low | 32.3 | Very low | 162 Ų | 162 | 98 Ų | 98 | 61% | 0.611 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.8 | -39.5 | 174 | -75.9 | -178.3 | -174.4 | 142.8 | 10.3 | 112.7 | E490 I491 R492 S497 A498 | E490-R494 WeakPolarHBondContact O-CB 3.18Å; E490-R494 VanDerWaalsContact O-CG 3.28Å; E490-R494 WeakPolarHBondContact O-CG 3.02Å; E490-R494 PolarHBondContact O-N 3.43Å; E490-R494 IonicContact OE2-NH2 3.19Å; I491-R494 PolarHBondContact O-N 2.89Å; R492-R494 VanDerWaalsContact C-N 3.3Å; R492-R494 PolarHBondContact O-N 3.45Å; R494-S497 WeakPolarHBondContact CA-OG 3.49Å; R494-S497 CarbonylContact O-C 3.57Å; R494-S497 PolarHBondContact O-N 3.47Å; R494-S497 PolarHBondContact O-OG 3.43Å; R494-A498 WeakPolarHBondContact O-CB 3.25Å; R494-A498 PolarHBondContact O-N 3.35Å |
| 495 | V | 37.8 | Very low | 31.9 | Very low | 68 Ų | 68 | 103.6 Ų | 103.6 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | I491 R492 S497 A498 E499 | I491-V495 HydrophobicContact CG2-CG2 4.09Å; I491-V495 WeakPolarHBondContact O-CB 3.3Å; I491-V495 WeakPolarHBondContact O-CG2 3.2Å; I491-V495 PolarHBondContact O-N 3.39Å; R492-V495 PolarHBondContact O-N 2.89Å; V495-S497 VanDerWaalsContact C-N 3.3Å; V495-S497 PolarHBondContact O-N 3.38Å; V495-A498 PolarHBondContact O-N 3.42Å; V495-E499 HydrophobicContact CG1-CG 4.33Å; V495-E499 WeakPolarHBondContact O-CB 3.14Å; V495-E499 WeakPolarHBondContact O-CG 3.5Å; V495-E499 PolarHBondContact O-N 3.22Å |
| 496 | S | 31.1 | Very low | 31.5 | Very low | 61 Ų | 61 | 108.8 Ų | 108.8 | 43% | 0.427 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.5 | -35.5 | 173.2 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | R492 V493 S500 | R492-S496 PolarHBondContact O-N 2.89Å; R492-S496 PolarHBondContact O-OG 3.43Å; V493-S496 WeakPolarHBondContact CA-OG 3.16Å; V493-S496 PolarHBondContact O-OG 3.23Å; S496-S500 WeakPolarHBondContact O-CB 3.39Å; S496-S500 PolarHBondContact O-N 3.34Å; S496-S500 PolarHBondContact O-OG 2.96Å |
| 497 | S | 29.1 | Very low | 31.2 | Very low | 72 Ų | 72 | 108 Ų | 108 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.2 | -31.1 | 174.1 | 73.7 | 0 | 0 | 0 | 0 | 113 | V493 R494 V495 S500 A501 | V493-S497 WeakPolarHBondContact O-CB 3.29Å; V493-S497 PolarHBondContact O-N 3.42Å; V493-S497 VanDerWaalsContact O-N 3.1Å; V493-S497 PolarHBondContact O-OG 3.25Å; R494-S497 WeakPolarHBondContact CA-OG 3.49Å; R494-S497 CarbonylContact O-C 3.57Å; R494-S497 PolarHBondContact O-N 3.47Å; R494-S497 PolarHBondContact O-OG 3.43Å; V495-S497 VanDerWaalsContact C-N 3.3Å; V495-S497 PolarHBondContact O-N 3.38Å; S497-S500 WeakPolarHBondContact O-CB 3.22Å; S497-A501 PolarHBondContact O-N 3.45Å |
| 498 | A | 33.7 | Very low | 31.1 | Very low | 51 Ų | 51 | 107.8 Ų | 107.8 | 42% | 0.421 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -76.8 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R494 V495 S500 A501 T502 | R494-A498 WeakPolarHBondContact O-CB 3.25Å; R494-A498 PolarHBondContact O-N 3.35Å; V495-A498 PolarHBondContact O-N 3.42Å; A498-S500 VanDerWaalsContact C-N 3.29Å; A498-S500 PolarHBondContact O-N 2.99Å; A498-A501 CarbonylContact O-C 3.55Å; A498-A501 WeakPolarHBondContact O-CA 3.48Å; A498-A501 WeakPolarHBondContact O-CB 3.27Å; A498-A501 PolarHBondContact O-N 3.46Å; A498-T502 WeakPolarHBondContact O-CG2 3.42Å; A498-T502 PolarHBondContact O-N 3.14Å; A498-T502 PolarHBondContact O-OG1 3.36Å |
| 499 | E | 31.2 | Very low | 31.2 | Very low | 114 Ų | 114 | 105.7 Ų | 105.7 | 53% | 0.533 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.5 | -40.2 | 170.5 | -75.9 | 173.9 | 176.3 | 0 | 0 | 110.2 | V495 A501 T502 H503 | V495-E499 HydrophobicContact CG1-CG 4.33Å; V495-E499 WeakPolarHBondContact O-CB 3.14Å; V495-E499 WeakPolarHBondContact O-CG 3.5Å; V495-E499 PolarHBondContact O-N 3.22Å; E499-A501 VanDerWaalsContact C-N 3.28Å; E499-A501 PolarHBondContact O-N 3.23Å; E499-T502 VanDerWaalsContact CA-OG1 3.3Å; E499-T502 WeakPolarHBondContact CA-OG1 3.35Å; E499-T502 PolarHBondContact O-N 3.09Å; E499-T502 PolarHBondContact O-OG1 3.46Å; E499-H503 PolarHBondContact O-CD2 3.32Å; E499-H503 PolarHBondContact O-N 3Å |
| 500 | S | 26.4 | Very low | 31.5 | Very low | 79 Ų | 79 | 107.1 Ų | 107.1 | 55% | 0.552 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.2 | -34.9 | 170.6 | -52.8 | 0 | 0 | 0 | 0 | 112.5 | S496 S497 A498 | S496-S500 WeakPolarHBondContact O-CB 3.39Å; S496-S500 PolarHBondContact O-N 3.34Å; S496-S500 PolarHBondContact O-OG 2.96Å; S497-S500 WeakPolarHBondContact O-CB 3.22Å; A498-S500 VanDerWaalsContact C-N 3.29Å; A498-S500 PolarHBondContact O-N 2.99Å |
| 501 | A | 30.1 | Very low | 32.3 | Very low | 50 Ų | 50 | 108.4 Ų | 108.4 | 41% | 0.413 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -76.7 | -30.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S497 A498 E499 H503 L504 H505 | S497-A501 PolarHBondContact O-N 3.45Å; A498-A501 CarbonylContact O-C 3.55Å; A498-A501 WeakPolarHBondContact O-CA 3.48Å; A498-A501 WeakPolarHBondContact O-CB 3.27Å; A498-A501 PolarHBondContact O-N 3.46Å; E499-A501 VanDerWaalsContact C-N 3.28Å; E499-A501 PolarHBondContact O-N 3.23Å; A501-H503 VanDerWaalsContact C-N 3.29Å; A501-H503 PolarHBondContact O-N 3.47Å; A501-L504 WeakPolarHBondContact O-CB 3.42Å; A501-L504 PolarHBondContact O-N 3.33Å; A501-H505 PolarHBondContact O-N 2.88Å |
| 502 | T | 31.4 | Very low | 32.7 | Very low | 89 Ų | 89 | 108.2 Ų | 108.2 | 55% | 0.546 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.9 | -28 | 174.8 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | A498 E499 L504 H505 | A498-T502 WeakPolarHBondContact O-CG2 3.42Å; A498-T502 PolarHBondContact O-N 3.14Å; A498-T502 PolarHBondContact O-OG1 3.36Å; E499-T502 VanDerWaalsContact CA-OG1 3.3Å; E499-T502 WeakPolarHBondContact CA-OG1 3.35Å; E499-T502 PolarHBondContact O-N 3.09Å; E499-T502 PolarHBondContact O-OG1 3.46Å; T502-L504 PolarHBondContact O-N 3.35Å; T502-H505 PolarHBondContact O-N 3.42Å |
| 503 | H | 28 | Very low | 33.3 | Very low | 151 Ų | 151 | 102.6 Ų | 102.6 | 70% | 0.699 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -22.9 | 168.9 | -83.4 | -78.9 | 0 | 0 | 0 | 112.9 | E499 A501 | E499-H503 PolarHBondContact O-CD2 3.32Å; E499-H503 PolarHBondContact O-N 3Å; A501-H503 VanDerWaalsContact C-N 3.29Å; A501-H503 PolarHBondContact O-N 3.47Å |
| 504 | L | 25.8 | Very low | 34.1 | Very low | 125 Ų | 125 | 102.1 Ų | 102.1 | 65% | 0.654 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -84.1 | -19.1 | 177.7 | -112 | 111.4 | 0 | 0 | 0 | 114.4 | A501 T502 Q506 | A501-L504 WeakPolarHBondContact O-CB 3.42Å; A501-L504 PolarHBondContact O-N 3.33Å; T502-L504 PolarHBondContact O-N 3.35Å; L504-Q506 PolarHBondContact O-N 2.62Å |
| 505 | H | 31.2 | Very low | 34.7 | Very low | 161 Ų | 161 | 102.2 Ų | 102.2 | 75% | 0.745 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -80.3 | 2.9 | 178.6 | -92.2 | -66.5 | 0 | 0 | 0 | 114.6 | A501 T502 | A501-H505 PolarHBondContact O-N 2.88Å; T502-H505 PolarHBondContact O-N 3.42Å |
| 506 | Q | 29.9 | Very low | 34.7 | Very low | 164 Ų | 164 | 105.1 Ų | 105.1 | 77% | 0.766 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -96 | 6.6 | 172.9 | -73.7 | -171.5 | -12 | 0 | 0 | 114.4 | L504 P508 | L504-Q506 PolarHBondContact O-N 2.62Å; Q506-P508 VanDerWaalsContact O-CD 3.32Å; Q506-P508 WeakPolarHBondContact O-CD 3.34Å |
| 507 | L | 29.3 | Very low | 35.3 | Very low | 124 Ų | 124 | 106.7 Ų | 106.7 | 65% | 0.649 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -70.7 | 118.5 | 164.7 | -81.7 | 159.8 | 0 | 0 | 0 | 108.8 | L509 | L507-L509 PolarHBondContact O-N 2.67Š|
| 508 | P | 34.3 | Very low | 36 | Very low | 119 Ų | 119 | 104.9 Ų | 104.9 | 77% | 0.773 | 57% | 0.569 | S | S | * | * | trans | -63 | 107.3 | -179.8 | 25.2 | -31.6 | 0 | 0 | 0 | 109 | Q506 | Q506-P508 VanDerWaalsContact O-CD 3.32Å; Q506-P508 WeakPolarHBondContact O-CD 3.34Å | ||
| 509 | L | 36.5 | Very low | 36.3 | Very low | 85 Ų | 85 | 109 Ų | 109 | 45% | 0.445 | 58% | 0.578 | S | S | . | * | trans | -69.7 | 130.1 | 174.6 | -79.7 | 125.3 | 0 | 0 | 0 | 109.2 | L507 L513 | L507-L509 PolarHBondContact O-N 2.67Å; L509-L513 HydrophobicContact CD2-CD2 3.52Å | ||
| 510 | P | 38.2 | Very low | 36.3 | Very low | 95 Ų | 95 | 114 Ų | 114 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | trans | -61.8 | 142.5 | -174.7 | 20.4 | -30.2 | 0 | 0 | 0 | 112.6 | C512 L513 N514 | P510-C512 PolarHBondContact O-N 3.38Å; P510-L513 PolarHBondContact O-N 2.71Å; P510-N514 PolarHBondContact O-N 2.73Å | ||
| 511 | D | 48.6 | Very low | 37.4 | Very low | 118 Ų | 118 | 115.3 Ų | 115.3 | 63% | 0.631 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -53 | -26 | -168.6 | -69.3 | -31.4 | 0 | 0 | 0 | 115.7 | R515 | D511-R515 PolarHBondContact O-N 3.34Å; D511-R515 VanDerWaalsContact O-N 3.09Å; D511-R515 PolarHBondContact O-NE 2.72Å |
| 512 | C | 43 | Very low | 38.1 | Very low | 87 Ų | 87 | 116.2 Ų | 116.2 | 59% | 0.588 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.6 | -40.1 | 177.8 | -146.4 | 0 | 0 | 0 | 0 | 111.3 | P510 R515 M516 | P510-C512 PolarHBondContact O-N 3.38Å; C512-R515 PolarHBondContact O-N 3.12Å; C512-M516 WeakPolarHBondContact O-CG 3.27Å; C512-M516 PolarHBondContact O-N 3.15Å |
| 513 | L | 43.3 | Very low | 39.3 | Very low | 80 Ų | 80 | 116.1 Ų | 116.1 | 42% | 0.419 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.3 | -36.6 | 178.3 | -153.7 | 84.6 | 0 | 0 | 0 | 111.3 | L509 P510 R515 M516 L517 | L509-L513 HydrophobicContact CD2-CD2 3.52Å; P510-L513 PolarHBondContact O-N 2.71Å; L513-R515 VanDerWaalsContact C-N 3.33Å; L513-R515 PolarHBondContact O-N 3.08Å; L513-M516 PolarHBondContact O-N 2.96Å; L513-L517 HydrophobicContact CD2-CD1 4.15Å; L513-L517 HydrophobicContact CG-CD1 4.23Å; L513-L517 WeakPolarHBondContact O-CB 3.23Å; L513-L517 VanDerWaalsContact O-CG 3.32Å; L513-L517 WeakPolarHBondContact O-CG 3.44Å; L513-L517 PolarHBondContact O-N 2.85Å |
| 514 | N | 47.4 | Very low | 40.6 | Very low | 89 Ų | 89 | 114.2 Ų | 114.2 | 48% | 0.476 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.8 | -40.1 | 172.8 | -100.7 | -14.5 | 0 | 0 | 0 | 112 | P510 A518 | P510-N514 PolarHBondContact O-N 2.73Å; N514-A518 WeakPolarHBondContact O-CB 3.48Å; N514-A518 PolarHBondContact O-N 3.06Å |
| 515 | R | 42.7 | Very low | 41.8 | Very low | 165 Ų | 165 | 114.9 Ų | 114.9 | 62% | 0.623 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.8 | -41 | 173.5 | -80.8 | -177.5 | -80.3 | -161.5 | -3.4 | 112.5 | D511 C512 L513 A518 F519 | D511-R515 PolarHBondContact O-N 3.34Å; D511-R515 VanDerWaalsContact O-N 3.09Å; D511-R515 PolarHBondContact O-NE 2.72Å; C512-R515 PolarHBondContact O-N 3.12Å; L513-R515 VanDerWaalsContact C-N 3.33Å; L513-R515 PolarHBondContact O-N 3.08Å; R515-A518 PolarHBondContact O-N 3.02Å; R515-F519 PolarHBondContact O-N 2.72Å |
| 516 | M | 38.4 | Very low | 42.8 | Very low | 128 Ų | 128 | 108.8 Ų | 108.8 | 63% | 0.631 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.2 | -39.6 | 175.5 | -74.4 | -172.9 | 68.6 | 0 | 0 | 112.8 | C512 L513 F519 R520 | C512-M516 WeakPolarHBondContact O-CG 3.27Å; C512-M516 PolarHBondContact O-N 3.15Å; L513-M516 PolarHBondContact O-N 2.96Å; M516-F519 PolarHBondContact O-N 3.48Å; M516-R520 PolarHBondContact O-N 3.43Å |
| 517 | L | 42.3 | Very low | 44.3 | Very low | 94 Ų | 94 | 106.2 Ų | 106.2 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.5 | -35.2 | 175.7 | -75.9 | 164.8 | 0 | 0 | 0 | 111.8 | L513 R520 | L513-L517 HydrophobicContact CD2-CD1 4.15Å; L513-L517 HydrophobicContact CG-CD1 4.23Å; L513-L517 WeakPolarHBondContact O-CB 3.23Å; L513-L517 VanDerWaalsContact O-CG 3.32Å; L513-L517 WeakPolarHBondContact O-CG 3.44Å; L513-L517 PolarHBondContact O-N 2.85Å; L517-R520 PolarHBondContact O-N 3.48Å |
| 518 | A | 44.4 | Very low | 46.1 | Very low | 34 Ų | 34 | 104.2 Ų | 104.2 | 28% | 0.281 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | N514 R515 R520 Q521 Y524 | N514-A518 WeakPolarHBondContact O-CB 3.48Å; N514-A518 PolarHBondContact O-N 3.06Å; R515-A518 PolarHBondContact O-N 3.02Å; A518-R520 VanDerWaalsContact C-N 3.33Å; A518-R520 PolarHBondContact O-N 3.37Å; A518-Q521 PolarHBondContact O-N 2.95Å; A518-Y524 WeakPolarHBondContact O-CD2 3.47Å |
| 519 | F | 39 | Very low | 47.3 | Very low | 137 Ų | 137 | 102 Ų | 102 | 60% | 0.601 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.9 | -30.7 | 178.3 | -112 | -87.1 | 0 | 0 | 0 | 113.8 | R515 M516 Q521 | R515-F519 PolarHBondContact O-N 2.72Å; M516-F519 PolarHBondContact O-N 3.48Å; F519-Q521 VanDerWaalsContact C-N 3.27Å; F519-Q521 PolarHBondContact O-N 2.87Å |
| 520 | R | 31.6 | Very low | 48.3 | Very low | 221 Ų | 221 | 100.6 Ų | 100.6 | 83% | 0.834 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10.5 | 176.2 | -101.1 | -171.2 | -172.5 | -176.9 | 4.2 | 114.2 | M516 L517 A518 | M516-R520 PolarHBondContact O-N 3.43Å; L517-R520 PolarHBondContact O-N 3.48Å; A518-R520 VanDerWaalsContact C-N 3.33Å; A518-R520 PolarHBondContact O-N 3.37Å |
| 521 | Q | 50.4 | Low | 49.7 | Very low | 106 Ų | 106 | 101.1 Ų | 101.1 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -68.4 | 127.8 | 177.5 | -68.1 | -171.1 | -4.3 | 0 | 0 | 109.4 | A518 F519 R523 Y524 | A518-Q521 PolarHBondContact O-N 2.95Å; F519-Q521 VanDerWaalsContact C-N 3.27Å; F519-Q521 PolarHBondContact O-N 2.87Å; Q521-R523 PolarHBondContact O-N 3.41Å; Q521-Y524 PolarHBondContact O-N 3.34Å |
| 522 | P | 44.9 | Very low | 50.7 | Low | 68 Ų | 68 | 99.8 Ų | 99.8 | 44% | 0.442 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.2 | -23.5 | -179.3 | 23.2 | -35 | 0 | 0 | 0 | 113.1 | Y524 Q526 | P522-Y524 VanDerWaalsContact C-N 3.28Å; P522-Y524 PolarHBondContact O-N 2.95Å; P522-Q526 WeakPolarHBondContact O-CG 3.42Å; P522-Q526 PolarHBondContact O-N 2.82Å; P522-Q526 PolarHBondContact O-OE1 3.14Å |
| 523 | R | 57.1 | Low | 51.4 | Low | 87 Ų | 87 | 96.9 Ų | 96.9 | 33% | 0.328 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.2 | -30.8 | 173.1 | -67.7 | -177.1 | 176.1 | 166.5 | -0.1 | 113.3 | E367 Q521 K527 | E367-R523 IonicContact OE1-CZ 2.71Å; E367-R523 IonicContact OE1-NH2 3.21Å; E367-R523 PolarHBondContact OE1-NH2 3.47Å; Q521-R523 PolarHBondContact O-N 3.41Å; R523-K527 WeakPolarHBondContact O-CB 3.49Å; R523-K527 WeakPolarHBondContact O-CD 3.13Å; R523-K527 WeakPolarHBondContact O-CG 3.33Å; R523-K527 PolarHBondContact O-N 3.16Å |
| 524 | Y | 54.3 | Low | 52.4 | Low | 111 Ų | 111 | 95.4 Ų | 95.4 | 44% | 0.435 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -75.8 | -45.3 | -178 | -116.7 | -81.8 | 0 | 0 | 0 | 112.4 | A518 Q521 P522 Q526 K527 I528 | A518-Y524 WeakPolarHBondContact O-CD2 3.47Å; Q521-Y524 PolarHBondContact O-N 3.34Å; P522-Y524 VanDerWaalsContact C-N 3.28Å; P522-Y524 PolarHBondContact O-N 2.95Å; Y524-Q526 VanDerWaalsContact C-N 3.32Å; Y524-Q526 PolarHBondContact O-N 3.14Å; Y524-K527 PolarHBondContact O-N 3.42Å; Y524-I528 WeakPolarHBondContact O-CG1 3.18Å; Y524-I528 PolarHBondContact O-N 3.02Å |
| 525 | F | 50.1 | Low | 53.3 | Low | 139 Ų | 139 | 93 Ų | 93 | 61% | 0.61 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 174.6 | -179.3 | -94.7 | 0 | 0 | 0 | 111.3 | I528 F529 | F525-I528 PolarHBondContact O-N 3.21Å; F525-F529 WeakPolarHBondContact O-CB 3.17Å; F525-F529 PolarHBondContact O-N 3.11Å |
| 526 | Q | 52.2 | Low | 54.6 | Low | 34 Ų | 34 | 91 Ų | 91 | 16% | 0.159 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 174.2 | -74.7 | 175.5 | -44.4 | 0 | 0 | 111.7 | P522 Y524 F529 M530 | P522-Q526 WeakPolarHBondContact O-CG 3.42Å; P522-Q526 PolarHBondContact O-N 2.82Å; P522-Q526 PolarHBondContact O-OE1 3.14Å; Y524-Q526 VanDerWaalsContact C-N 3.32Å; Y524-Q526 PolarHBondContact O-N 3.14Å; Q526-F529 CarbonylContact O-C 3.55Å; Q526-F529 WeakPolarHBondContact O-CB 3.31Å; Q526-F529 PolarHBondContact O-N 3.33Å; Q526-M530 VanDerWaalsContact O-CG 3.29Å; Q526-M530 WeakPolarHBondContact O-CG 3.29Å; Q526-M530 PolarHBondContact O-N 2.8Å |
| 527 | K | 62.9 | Low | 55.6 | Low | 109 Ų | 109 | 86.4 Ų | 86.4 | 47% | 0.474 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 176 | -75 | 171.8 | -176.6 | -167.5 | 0 | 113.5 | R523 Y524 M530 V531 | R523-K527 WeakPolarHBondContact O-CB 3.49Å; R523-K527 WeakPolarHBondContact O-CD 3.13Å; R523-K527 WeakPolarHBondContact O-CG 3.33Å; R523-K527 PolarHBondContact O-N 3.16Å; Y524-K527 PolarHBondContact O-N 3.42Å; K527-M530 WeakPolarHBondContact O-CB 3.46Å; K527-M530 PolarHBondContact O-N 2.86Å; K527-V531 WeakPolarHBondContact O-CG2 3.23Å; K527-V531 PolarHBondContact O-N 2.93Å |
| 528 | I | 65.9 | Low | 56.6 | Low | 82 Ų | 82 | 86.1 Ų | 86.1 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 172.4 | -68.4 | 167 | 0 | 0 | 0 | 109.6 | Y524 F525 M530 V531 V532 | Y524-I528 WeakPolarHBondContact O-CG1 3.18Å; Y524-I528 PolarHBondContact O-N 3.02Å; F525-I528 PolarHBondContact O-N 3.21Å; I528-M530 VanDerWaalsContact C-N 3.28Å; I528-M530 PolarHBondContact O-N 3.42Å; I528-V531 PolarHBondContact O-N 3.32Å; I528-V531 VanDerWaalsContact O-N 3.11Å; I528-V532 HydrophobicContact CG2-CG2 4.34Å; I528-V532 VanDerWaalsContact O-CG2 3.3Å; I528-V532 WeakPolarHBondContact O-CG2 3.5Å; I528-V532 PolarHBondContact O-N 2.88Å |
| 529 | F | 60.7 | Low | 57.7 | Low | 73 Ų | 73 | 92.2 Ų | 92.2 | 32% | 0.32 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.6 | -39.8 | 172.8 | -177.5 | -99.6 | 0 | 0 | 0 | 111.5 | Y277 F525 Q526 V532 V533 | Y277-F529 HydrophobicContact CE1-CE1 4.06Å; Y277-F529 HydrophobicContact CE1-CZ 4.44Å; F525-F529 WeakPolarHBondContact O-CB 3.17Å; F525-F529 PolarHBondContact O-N 3.11Å; Q526-F529 CarbonylContact O-C 3.55Å; Q526-F529 WeakPolarHBondContact O-CB 3.31Å; Q526-F529 PolarHBondContact O-N 3.33Å; F529-V532 PolarHBondContact O-N 3.3Å; F529-V533 HydrophobicContact CD1-CG2 4.03Å; F529-V533 HydrophobicContact CD2-CG2 4.43Å; F529-V533 HydrophobicContact CE1-CG2 3.66Å; F529-V533 HydrophobicContact CE2-CG2 4.09Å; F529-V533 HydrophobicContact CG-CG2 4.41Å; F529-V533 HydrophobicContact CZ-CG2 3.68Å; F529-V533 WeakPolarHBondContact O-CB 3.38Å; F529-V533 VanDerWaalsContact O-CG2 3.28Å; F529-V533 WeakPolarHBondContact O-CG2 3.34Å; F529-V533 PolarHBondContact O-N 2.83Å |
| 530 | M | 57.1 | Low | 58.7 | Low | 55 Ų | 55 | 89.2 Ų | 89.2 | 27% | 0.271 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 172.5 | -70 | -176.9 | 77.9 | 0 | 0 | 112.3 | V334 Q526 K527 I528 V532 V533 A534 | V334-M530 HydrophobicContact CG1-CB 4.43Å; V334-M530 HydrophobicContact CG1-CE 3.38Å; V334-M530 HydrophobicContact CG1-CG 3.52Å; V334-M530 HydrophobicContact CG1-SD 3.99Å; Q526-M530 VanDerWaalsContact O-CG 3.29Å; Q526-M530 WeakPolarHBondContact O-CG 3.29Å; Q526-M530 PolarHBondContact O-N 2.8Å; K527-M530 WeakPolarHBondContact O-CB 3.46Å; K527-M530 PolarHBondContact O-N 2.86Å; I528-M530 VanDerWaalsContact C-N 3.28Å; I528-M530 PolarHBondContact O-N 3.42Å; M530-V532 VanDerWaalsContact C-N 3.34Å; M530-V533 PolarHBondContact O-N 3.32Å; M530-A534 WeakPolarHBondContact O-CB 3.44Å; M530-A534 PolarHBondContact O-N 3.39Å |
| 531 | V | 67.7 | Low | 59.9 | Low | 106 Ų | 106 | 80.4 Ų | 80.4 | 64% | 0.642 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.1 | -37.7 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | K527 I528 G535 | K527-V531 WeakPolarHBondContact O-CG2 3.23Å; K527-V531 PolarHBondContact O-N 2.93Å; I528-V531 PolarHBondContact O-N 3.32Å; I528-V531 VanDerWaalsContact O-N 3.11Å; V531-G535 WeakPolarHBondContact O-CA 3.23Å; V531-G535 PolarHBondContact O-N 3.31Å |
| 532 | V | 68.5 | Low | 60.5 | Low | 91 Ų | 91 | 79 Ų | 79 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.2 | -44.3 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | I528 F529 M530 G535 W536 | I528-V532 HydrophobicContact CG2-CG2 4.34Å; I528-V532 VanDerWaalsContact O-CG2 3.3Å; I528-V532 WeakPolarHBondContact O-CG2 3.5Å; I528-V532 PolarHBondContact O-N 2.88Å; F529-V532 PolarHBondContact O-N 3.3Å; M530-V532 VanDerWaalsContact C-N 3.34Å; V532-G535 CarbonylContact O-C 3.15Å; V532-G535 PolarHBondContact O-N 2.91Å; V532-W536 VanDerWaalsContact O-CB 3.29Å; V532-W536 WeakPolarHBondContact O-CB 3.43Å; V532-W536 PolarHBondContact O-N 2.94Å |
| 533 | V | 59.6 | Low | 61.2 | Low | 26 Ų | 26 | 76.5 Ų | 76.5 | 16% | 0.158 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.4 | -42 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 111 | V334 F529 M530 G535 W536 I537 | V334-V533 HydrophobicContact CG2-CG1 4.47Å; F529-V533 HydrophobicContact CD1-CG2 4.03Å; F529-V533 HydrophobicContact CD2-CG2 4.43Å; F529-V533 HydrophobicContact CE1-CG2 3.66Å; F529-V533 HydrophobicContact CE2-CG2 4.09Å; F529-V533 HydrophobicContact CG-CG2 4.41Å; F529-V533 HydrophobicContact CZ-CG2 3.68Å; F529-V533 WeakPolarHBondContact O-CB 3.38Å; F529-V533 VanDerWaalsContact O-CG2 3.28Å; F529-V533 WeakPolarHBondContact O-CG2 3.34Å; F529-V533 PolarHBondContact O-N 2.83Å; M530-V533 PolarHBondContact O-N 3.32Å; V533-G535 VanDerWaalsContact C-N 3.32Å; V533-W536 CarbonylContact O-C 3.41Å; V533-W536 WeakPolarHBondContact O-CB 3.14Å; V533-W536 PolarHBondContact O-N 2.85Å; V533-I537 HydrophobicContact CG1-CD1 3.81Å; V533-I537 HydrophobicContact CG1-CG1 4.35Å; V533-I537 WeakPolarHBondContact O-CB 3.21Å; V533-I537 WeakPolarHBondContact O-CG1 3.12Å; V533-I537 PolarHBondContact O-N 3.18Å |
| 534 | A | 62.4 | Low | 61.3 | Low | 49 Ų | 49 | 74.9 Ų | 74.9 | 41% | 0.405 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | M530 W536 I537 V538 | M530-A534 WeakPolarHBondContact O-CB 3.44Å; M530-A534 PolarHBondContact O-N 3.39Å; A534-W536 VanDerWaalsContact C-N 3.35Å; A534-I537 PolarHBondContact O-N 3.38Å; A534-V538 WeakPolarHBondContact O-CB 3.35Å; A534-V538 VanDerWaalsContact O-CG2 3.24Å; A534-V538 WeakPolarHBondContact O-CG2 3.41Å; A534-V538 PolarHBondContact O-N 3.01Å |
| 535 | G | 67.6 | Low | 61.3 | Low | 39 Ų | 39 | 75.8 Ų | 75.8 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V531 V532 V533 V538 W539 | V531-G535 WeakPolarHBondContact O-CA 3.23Å; V531-G535 PolarHBondContact O-N 3.31Å; V532-G535 CarbonylContact O-C 3.15Å; V532-G535 PolarHBondContact O-N 2.91Å; V533-G535 VanDerWaalsContact C-N 3.32Å; G535-V538 PolarHBondContact O-N 3.5Å; G535-W539 WeakPolarHBondContact O-CB 3.36Å; G535-W539 PolarHBondContact O-N 3.36Å |
| 536 | W | 69 | Low | 61.6 | Low | 123 Ų | 123 | 75.4 Ų | 75.4 | 47% | 0.466 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.9 | -36.2 | 174.9 | -167.9 | 65 | 0 | 0 | 0 | 112 | V532 V533 A534 W539 F540 | V532-W536 VanDerWaalsContact O-CB 3.29Å; V532-W536 WeakPolarHBondContact O-CB 3.43Å; V532-W536 PolarHBondContact O-N 2.94Å; V533-W536 CarbonylContact O-C 3.41Å; V533-W536 WeakPolarHBondContact O-CB 3.14Å; V533-W536 PolarHBondContact O-N 2.85Å; A534-W536 VanDerWaalsContact C-N 3.35Å; W536-W539 CarbonylContact O-C 3.49Å; W536-W539 PolarHBondContact O-N 3.45Å; W536-F540 VanDerWaalsContact O-CB 3.26Å; W536-F540 WeakPolarHBondContact O-CB 3.33Å; W536-F540 PolarHBondContact O-N 2.94Å |
| 537 | I | 59.7 | Low | 61.7 | Low | 31 Ų | 31 | 81.3 Ų | 81.3 | 16% | 0.159 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.1 | -44.1 | 174.4 | -75.2 | 167.5 | 0 | 0 | 0 | 111 | L327 Y330 V533 A534 W539 F540 A541 | L327-I537 HydrophobicContact CD1-CG2 3.14Å; L327-I537 HydrophobicContact CG-CG2 4.33Å; Y330-I537 HydrophobicContact CD2-CD1 4.5Å; Y330-I537 HydrophobicContact CG-CD1 4.2Å; V533-I537 HydrophobicContact CG1-CD1 3.81Å; V533-I537 HydrophobicContact CG1-CG1 4.35Å; V533-I537 WeakPolarHBondContact O-CB 3.21Å; V533-I537 WeakPolarHBondContact O-CG1 3.12Å; V533-I537 PolarHBondContact O-N 3.18Å; A534-I537 PolarHBondContact O-N 3.38Å; I537-W539 VanDerWaalsContact C-N 3.3Å; I537-F540 PolarHBondContact O-N 3.04Å; I537-A541 VanDerWaalsContact O-CB 3.23Å; I537-A541 WeakPolarHBondContact O-CB 3.49Å; I537-A541 PolarHBondContact O-N 3.01Å |
| 538 | V | 63.7 | Low | 61.3 | Low | 88 Ų | 88 | 79 Ų | 79 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 174 | 169.9 | 0 | 0 | 0 | 0 | 109.3 | A534 G535 F540 A541 V542 | A534-V538 WeakPolarHBondContact O-CB 3.35Å; A534-V538 VanDerWaalsContact O-CG2 3.24Å; A534-V538 WeakPolarHBondContact O-CG2 3.41Å; A534-V538 PolarHBondContact O-N 3.01Å; G535-V538 PolarHBondContact O-N 3.5Å; V538-F540 VanDerWaalsContact C-N 3.34Å; V538-F540 PolarHBondContact O-N 3.12Å; V538-A541 PolarHBondContact O-N 3.44Å; V538-V542 HydrophobicContact CG1-CG2 4.08Å; V538-V542 WeakPolarHBondContact O-CA 3.27Å; V538-V542 WeakPolarHBondContact O-CB 3.34Å; V538-V542 WeakPolarHBondContact O-CG2 3.34Å; V538-V542 PolarHBondContact O-N 2.94Å |
| 539 | W | 67 | Low | 60.5 | Low | 162 Ų | 162 | 78.9 Ų | 78.9 | 61% | 0.614 | 41% | 0.412 | S | S | * | . | I | π-helix | trans | -66.7 | -32.2 | 172.9 | -177.5 | 81.5 | 0 | 0 | 0 | 112.6 | G535 W536 I537 G543 I544 | G535-W539 WeakPolarHBondContact O-CB 3.36Å; G535-W539 PolarHBondContact O-N 3.36Å; W536-W539 CarbonylContact O-C 3.49Å; W536-W539 PolarHBondContact O-N 3.45Å; I537-W539 VanDerWaalsContact C-N 3.3Å; W539-G543 CarbonylContact O-C 3.47Å; W539-G543 WeakPolarHBondContact O-CA 3.03Å; W539-G543 PolarHBondContact O-N 2.94Å; W539-I544 PolarHBondContact O-N 3.43Å |
| 540 | F | 60.1 | Low | 60 | Low | 73 Ų | 73 | 79 Ų | 79 | 32% | 0.32 | 42% | 0.422 | S | S | . | . | I | π-helix | trans | -71.5 | -51.5 | 172.7 | -167.1 | -82 | 0 | 0 | 0 | 110.1 | W536 I537 V538 I544 | W536-F540 VanDerWaalsContact O-CB 3.26Å; W536-F540 WeakPolarHBondContact O-CB 3.33Å; W536-F540 PolarHBondContact O-N 2.94Å; I537-F540 PolarHBondContact O-N 3.04Å; V538-F540 VanDerWaalsContact C-N 3.34Å; V538-F540 PolarHBondContact O-N 3.12Å; F540-I544 HydrophobicContact CB-CD1 4.44Å; F540-I544 HydrophobicContact CD1-CD1 3.83Å; F540-I544 HydrophobicContact CD2-CD1 3.19Å; F540-I544 HydrophobicContact CD2-CG1 4.25Å; F540-I544 HydrophobicContact CE1-CD1 3.76Å; F540-I544 HydrophobicContact CE2-CD1 3.11Å; F540-I544 HydrophobicContact CG-CD1 3.55Å; F540-I544 HydrophobicContact CG-CG1 4.31Å; F540-I544 HydrophobicContact CZ-CD1 3.41Å; F540-I544 VanDerWaalsContact CZ-CD1 3.41Å; F540-I544 WeakPolarHBondContact O-CA 3.47Å; F540-I544 WeakPolarHBondContact O-CB 3.17Å; F540-I544 WeakPolarHBondContact O-CG1 3.36Å; F540-I544 PolarHBondContact O-N 2.75Å |
| 541 | A | 57 | Low | 59.7 | Low | 37 Ų | 37 | 80.1 Ų | 80.1 | 31% | 0.306 | 43% | 0.432 | S | S | . | . | I | π-helix | trans | -66.8 | -40.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I537 V538 Q545 | I537-A541 VanDerWaalsContact O-CB 3.23Å; I537-A541 WeakPolarHBondContact O-CB 3.49Å; I537-A541 PolarHBondContact O-N 3.01Å; V538-A541 PolarHBondContact O-N 3.44Å; A541-Q545 WeakPolarHBondContact O-CB 2.89Å |
| 542 | V | 63.4 | Low | 58.7 | Low | 76 Ų | 76 | 80.1 Ų | 80.1 | 46% | 0.461 | 43% | 0.432 | S | S | . | . | I | π-helix | trans | -92.7 | -47.2 | 179.5 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | V538 Q545 Q546 | V538-V542 HydrophobicContact CG1-CG2 4.08Å; V538-V542 WeakPolarHBondContact O-CA 3.27Å; V538-V542 WeakPolarHBondContact O-CB 3.34Å; V538-V542 WeakPolarHBondContact O-CG2 3.34Å; V538-V542 PolarHBondContact O-N 2.94Å; V542-Q545 PolarHBondContact O-N 2.9Å; V542-Q546 VanDerWaalsContact O-CB 3.26Å; V542-Q546 WeakPolarHBondContact O-CB 3.38Å; V542-Q546 PolarHBondContact O-N 3.36Å |
| 543 | G | 59.7 | Low | 57.1 | Low | 16 Ų | 16 | 82.4 Ų | 82.4 | 17% | 0.165 | 44% | 0.436 | C | S | . | . | I | π-helix | trans | -76.2 | -30 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | W539 W547 | W539-G543 CarbonylContact O-C 3.47Å; W539-G543 WeakPolarHBondContact O-CA 3.03Å; W539-G543 PolarHBondContact O-N 2.94Å; G543-W547 WeakPolarHBondContact O-CA 3.08Å; G543-W547 WeakPolarHBondContact O-CB 3.41Å; G543-W547 PolarHBondContact O-N 3.38Å |
| 544 | I | 58.9 | Low | 55.8 | Low | 52 Ų | 52 | 85.6 Ų | 85.6 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | I | π-helix | trans | -77.7 | -36.1 | 167.2 | -60.7 | -179.9 | 0 | 0 | 0 | 110.4 | W539 F540 Q546 W547 V548 | W539-I544 PolarHBondContact O-N 3.43Å; F540-I544 HydrophobicContact CB-CD1 4.44Å; F540-I544 HydrophobicContact CD1-CD1 3.83Å; F540-I544 HydrophobicContact CD2-CD1 3.19Å; F540-I544 HydrophobicContact CD2-CG1 4.25Å; F540-I544 HydrophobicContact CE1-CD1 3.76Å; F540-I544 HydrophobicContact CE2-CD1 3.11Å; F540-I544 HydrophobicContact CG-CD1 3.55Å; F540-I544 HydrophobicContact CG-CG1 4.31Å; F540-I544 HydrophobicContact CZ-CD1 3.41Å; F540-I544 VanDerWaalsContact CZ-CD1 3.41Å; F540-I544 WeakPolarHBondContact O-CA 3.47Å; F540-I544 WeakPolarHBondContact O-CB 3.17Å; F540-I544 WeakPolarHBondContact O-CG1 3.36Å; F540-I544 PolarHBondContact O-N 2.75Å; I544-Q546 VanDerWaalsContact C-N 3.31Å; I544-Q546 PolarHBondContact O-N 3.29Å; I544-W547 PolarHBondContact O-N 2.92Å; I544-V548 HydrophobicContact CG2-CG2 3.59Å; I544-V548 WeakPolarHBondContact O-CA 3.4Å; I544-V548 WeakPolarHBondContact O-CB 3.29Å; I544-V548 WeakPolarHBondContact O-CG2 3.38Å; I544-V548 PolarHBondContact O-N 3.5Å |
| 545 | Q | 53.4 | Low | 54.2 | Low | 131 Ų | 131 | 89.9 Ų | 89.9 | 61% | 0.612 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.2 | -43.7 | 172.6 | -166.7 | 103.7 | -5 | 0 | 0 | 110.5 | A541 V542 N549 | A541-Q545 WeakPolarHBondContact O-CB 2.89Å; V542-Q545 PolarHBondContact O-N 2.9Å; Q545-N549 WeakPolarHBondContact O-CB 3.3Å; Q545-N549 PolarHBondContact O-N 3.31Å; Q545-N549 PolarHBondContact O-ND2 3.36Å; Q545-N549 PolarHBondContact O-OD1 3.26Å; Q545-N549 VanDerWaalsContact O-OD1 3.06Å |
| 546 | Q | 56.1 | Low | 52.3 | Low | 130 Ų | 130 | 92.1 Ų | 92.1 | 61% | 0.607 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.4 | -37.6 | 173.5 | -97.3 | 175.6 | -39.4 | 0 | 0 | 112.9 | V542 I544 N549 S550 | V542-Q546 VanDerWaalsContact O-CB 3.26Å; V542-Q546 WeakPolarHBondContact O-CB 3.38Å; V542-Q546 PolarHBondContact O-N 3.36Å; I544-Q546 VanDerWaalsContact C-N 3.31Å; I544-Q546 PolarHBondContact O-N 3.29Å; Q546-N549 CarbonylContact O-C 3.59Å; Q546-N549 PolarHBondContact O-N 3.43Å; Q546-S550 VanDerWaalsContact O-CB 3.22Å; Q546-S550 WeakPolarHBondContact O-CB 3.43Å; Q546-S550 PolarHBondContact O-N 2.64Å; Q546-S550 PolarHBondContact O-OG 3.33Å |
| 547 | W | 54.9 | Low | 50.4 | Low | 159 Ų | 159 | 95.9 Ų | 95.9 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.4 | -42.8 | -179.7 | -176.4 | 80.3 | 0 | 0 | 0 | 111.4 | G543 I544 N549 S550 V551 | G543-W547 WeakPolarHBondContact O-CA 3.08Å; G543-W547 WeakPolarHBondContact O-CB 3.41Å; G543-W547 PolarHBondContact O-N 3.38Å; I544-W547 PolarHBondContact O-N 2.92Å; W547-N549 VanDerWaalsContact C-N 3.32Å; W547-S550 VanDerWaalsContact CA-OG 3.28Å; W547-S550 WeakPolarHBondContact CA-OG 3.38Å; W547-S550 CarbonylContact O-C 3.58Å; W547-S550 PolarHBondContact O-N 3.43Å; W547-S550 VanDerWaalsContact O-N 3.14Å; W547-S550 PolarHBondContact O-OG 3.38Å; W547-V551 HydrophobicContact CD2-CB 4.49Å; W547-V551 HydrophobicContact CD2-CG2 3.79Å; W547-V551 HydrophobicContact CE3-CG2 4.42Å; W547-V551 HydrophobicContact CG-CG2 4.09Å; W547-V551 HydrophobicContact CH2-CG2 4.4Å; W547-V551 HydrophobicContact CZ2-CG1 4.49Å; W547-V551 HydrophobicContact CZ2-CG2 3.76Å; W547-V551 VanDerWaalsContact O-CB 3.23Å; W547-V551 WeakPolarHBondContact O-CB 3.32Å; W547-V551 VanDerWaalsContact O-CG2 3.27Å; W547-V551 WeakPolarHBondContact O-CG2 3.49Å; W547-V551 PolarHBondContact O-N 2.67Å |
| 548 | V | 54.3 | Low | 48.8 | Very low | 61 Ų | 61 | 99.6 Ų | 99.6 | 37% | 0.37 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 168.1 | 171.3 | 0 | 0 | 0 | 0 | 108.4 | I544 S550 V551 V552 | I544-V548 HydrophobicContact CG2-CG2 3.59Å; I544-V548 WeakPolarHBondContact O-CA 3.4Å; I544-V548 WeakPolarHBondContact O-CB 3.29Å; I544-V548 WeakPolarHBondContact O-CG2 3.38Å; I544-V548 PolarHBondContact O-N 3.5Å; V548-S550 VanDerWaalsContact C-N 3.29Å; V548-S550 PolarHBondContact O-N 3.45Å; V548-V551 PolarHBondContact O-N 3.42Å; V548-V552 HydrophobicContact CG1-CB 4.45Å; V548-V552 HydrophobicContact CG1-CG2 3.78Å; V548-V552 WeakPolarHBondContact O-CA 3.21Å; V548-V552 WeakPolarHBondContact O-CB 3.37Å; V548-V552 WeakPolarHBondContact O-CG2 3.4Å; V548-V552 PolarHBondContact O-N 2.88Å |
| 549 | N | 50 | Low | 46.9 | Very low | 79 Ų | 79 | 100 Ų | 100 | 42% | 0.422 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.4 | -38.3 | 174.8 | -68.2 | -0.2 | 0 | 0 | 0 | 111.7 | Q545 Q546 W547 E553 | Q545-N549 WeakPolarHBondContact O-CB 3.3Å; Q545-N549 PolarHBondContact O-N 3.31Å; Q545-N549 PolarHBondContact O-ND2 3.36Å; Q545-N549 PolarHBondContact O-OD1 3.26Å; Q545-N549 VanDerWaalsContact O-OD1 3.06Å; Q546-N549 CarbonylContact O-C 3.59Å; Q546-N549 PolarHBondContact O-N 3.43Å; W547-N549 VanDerWaalsContact C-N 3.32Å; N549-E553 WeakPolarHBondContact O-CB 3.3Å; N549-E553 WeakPolarHBondContact O-CG 3.45Å; N549-E553 PolarHBondContact O-N 3.35Å |
| 550 | S | 50.8 | Low | 45 | Very low | 75 Ų | 75 | 102.3 Ų | 102.3 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -82.1 | -21.8 | -177.9 | 70.7 | 0 | 0 | 0 | 0 | 115.3 | Q546 W547 V548 | Q546-S550 VanDerWaalsContact O-CB 3.22Å; Q546-S550 WeakPolarHBondContact O-CB 3.43Å; Q546-S550 PolarHBondContact O-N 2.64Å; Q546-S550 PolarHBondContact O-OG 3.33Å; W547-S550 VanDerWaalsContact CA-OG 3.28Å; W547-S550 WeakPolarHBondContact CA-OG 3.38Å; W547-S550 CarbonylContact O-C 3.58Å; W547-S550 PolarHBondContact O-N 3.43Å; W547-S550 VanDerWaalsContact O-N 3.14Å; W547-S550 PolarHBondContact O-OG 3.38Å; V548-S550 VanDerWaalsContact C-N 3.29Å; V548-S550 PolarHBondContact O-N 3.45Å |
| 551 | V | 49.8 | Very low | 43.2 | Very low | 79 Ų | 79 | 107.3 Ų | 107.3 | 48% | 0.479 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -97.7 | -30.9 | 178.5 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | W547 V548 | W547-V551 HydrophobicContact CD2-CB 4.49Å; W547-V551 HydrophobicContact CD2-CG2 3.79Å; W547-V551 HydrophobicContact CE3-CG2 4.42Å; W547-V551 HydrophobicContact CG-CG2 4.09Å; W547-V551 HydrophobicContact CH2-CG2 4.4Å; W547-V551 HydrophobicContact CZ2-CG1 4.49Å; W547-V551 HydrophobicContact CZ2-CG2 3.76Å; W547-V551 VanDerWaalsContact O-CB 3.23Å; W547-V551 WeakPolarHBondContact O-CB 3.32Å; W547-V551 VanDerWaalsContact O-CG2 3.27Å; W547-V551 WeakPolarHBondContact O-CG2 3.49Å; W547-V551 PolarHBondContact O-N 2.67Å; V548-V551 PolarHBondContact O-N 3.42Å |
| 552 | V | 46 | Very low | 42 | Very low | 106 Ų | 106 | 110.6 Ų | 110.6 | 64% | 0.642 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -85.9 | -16.9 | 173.3 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | V548 P554 | V548-V552 HydrophobicContact CG1-CB 4.45Å; V548-V552 HydrophobicContact CG1-CG2 3.78Å; V548-V552 WeakPolarHBondContact O-CA 3.21Å; V548-V552 WeakPolarHBondContact O-CB 3.37Å; V548-V552 WeakPolarHBondContact O-CG2 3.4Å; V548-V552 PolarHBondContact O-N 2.88Å; V552-P554 WeakPolarHBondContact O-CD 3.48Å |
| 553 | E | 36.5 | Very low | 40.4 | Very low | 138 Ų | 138 | 113.6 Ų | 113.6 | 65% | 0.645 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -92.7 | 84.8 | 158.3 | -66.6 | 175.1 | 178.2 | 0 | 0 | 109.5 | N549 T555 | N549-E553 WeakPolarHBondContact O-CB 3.3Å; N549-E553 WeakPolarHBondContact O-CG 3.45Å; N549-E553 PolarHBondContact O-N 3.35Å; E553-T555 PolarHBondContact O-N 2.79Å; E553-T555 VanDerWaalsContact O-N 3.07Å |
| 554 | P | 31.1 | Very low | 39.3 | Very low | 94 Ų | 94 | 115.2 Ų | 115.2 | 61% | 0.61 | 63% | 0.625 | S | S | * | * | trans | -62.6 | 117.2 | 155.2 | 29 | -28.2 | 0 | 0 | 0 | 105.8 | V552 S556 | V552-P554 WeakPolarHBondContact O-CD 3.48Å; P554-S556 VanDerWaalsContact C-N 3.26Å; P554-S556 PolarHBondContact O-N 2.79Å | ||
| 555 | T | 29.2 | Very low | 38.2 | Very low | 139 Ų | 139 | 117.4 Ų | 117.4 | 85% | 0.853 | 64% | 0.641 | S | S | * | * | trans | -45.3 | 92.2 | 164.3 | 48.4 | 0 | 0 | 0 | 0 | 109.9 | E553 | E553-T555 PolarHBondContact O-N 2.79Å; E553-T555 VanDerWaalsContact O-N 3.07Å | ||
| 556 | S | 27.9 | Very low | 37.4 | Very low | 86 Ų | 86 | 114.1 Ų | 114.1 | 60% | 0.601 | 63% | 0.63 | S | S | * | * | trans | -138.3 | 73.1 | 160.9 | 57.4 | 0 | 0 | 0 | 0 | 107 | P554 V558 | P554-S556 VanDerWaalsContact C-N 3.26Å; P554-S556 PolarHBondContact O-N 2.79Å; S556-V558 PolarHBondContact O-N 2.56Å | ||
| 557 | H | 28.5 | Very low | 36.6 | Very low | 201 Ų | 201 | 112.4 Ų | 112.4 | 93% | 0.931 | 62% | 0.622 | S | S | * | * | trans | -61.4 | 77.1 | 150.5 | -75.9 | -72 | 0 | 0 | 0 | 107.8 | ||||
| 558 | V | 26.3 | Very low | 35.7 | Very low | 110 Ų | 110 | 111.7 Ų | 111.7 | 67% | 0.667 | 63% | 0.625 | S | S | * | * | trans | -116.5 | 107.4 | 164.3 | 179.8 | 0 | 0 | 0 | 0 | 105.7 | S556 Y560 | S556-V558 PolarHBondContact O-N 2.56Å; V558-Y560 HydrophobicContact CG1-CD2 4.4Å; V558-Y560 PolarHBondContact O-N 2.95Å | ||
| 559 | A | 24.2 | Very low | 34.8 | Very low | 95 Ų | 95 | 114 Ų | 114 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | trans | -54.6 | 108.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 560 | Y | 26.4 | Very low | 34.2 | Very low | 211 Ų | 211 | 118.6 Ų | 118.6 | 83% | 0.827 | 64% | 0.644 | S | S | * | * | trans | -136.8 | 105.5 | 152 | -93.5 | -80.7 | 0 | 0 | 0 | 109.4 | V558 | V558-Y560 HydrophobicContact CG1-CD2 4.4Å; V558-Y560 PolarHBondContact O-N 2.95Å | ||
| 561 | Q | 23 | Very low | 33.5 | Very low | 178 Ų | 178 | 118.8 Ų | 118.8 | 83% | 0.832 | 64% | 0.639 | S | S | * | * | trans | -57.7 | 136.8 | 150.1 | -68.4 | 173.3 | -28.5 | 0 | 0 | 107.7 | ||||
| 562 | P | 30.8 | Very low | 33.1 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 70% | 0.695 | 64% | 0.639 | S | S | * | * | -122.4 | 159.6 | 82.3 | 34.4 | -26.2 | 0 | 0 | 0 | 111.5 | V564 | P562-V564 PolarHBondContact O-N 3.48Š| |||
| 563 | T | 30.5 | Very low | 32.9 | Very low | 139 Ų | 139 | 119.9 Ų | 119.9 | 85% | 0.853 | 64% | 0.642 | S | S | * | * | trans | -63.7 | 65.9 | -176.4 | 51.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 564 | V | 36.5 | Very low | 33.4 | Very low | 50 Ų | 50 | 116.5 Ų | 116.5 | 30% | 0.303 | 63% | 0.629 | S | S | . | * | trans | -97.5 | 101.4 | 155.7 | -175.9 | 0 | 0 | 0 | 0 | 104 | V59 P562 V566 | V59-V564 HydrophobicContact CG1-CG1 4.36Å; P562-V564 PolarHBondContact O-N 3.48Å; V564-V566 HydrophobicContact CB-CG2 4.5Å; V564-V566 HydrophobicContact CG1-CG2 3.72Å; V564-V566 PolarHBondContact O-N 2.88Å | ||
| 565 | T | 36.1 | Very low | 34.4 | Very low | 97 Ų | 97 | 115.5 Ų | 115.5 | 60% | 0.595 | 62% | 0.622 | S | S | * | * | trans | -68.6 | 82.2 | 164.4 | 44.7 | 0 | 0 | 0 | 0 | 106.7 | Q567 | T565-Q567 PolarHBondContact O-N 2.96Š| ||
| 566 | V | 36.2 | Very low | 35.6 | Very low | 62 Ų | 62 | 111.2 Ų | 111.2 | 38% | 0.376 | 59% | 0.594 | S | S | . | * | trans | -65.1 | 84.5 | 155.4 | -178.5 | 0 | 0 | 0 | 0 | 104.2 | V564 E568 | V564-V566 HydrophobicContact CB-CG2 4.5Å; V564-V566 HydrophobicContact CG1-CG2 3.72Å; V564-V566 PolarHBondContact O-N 2.88Å; V566-E568 HydrophobicContact CG1-CG 3.89Å; V566-E568 PolarHBondContact O-N 2.79Å | ||
| 567 | Q | 38.6 | Very low | 37.1 | Very low | 94 Ų | 94 | 111.8 Ų | 111.8 | 44% | 0.439 | 58% | 0.583 | S | S | . | * | trans | -71.3 | 83.4 | 165.2 | -79.5 | -167.9 | -39.4 | 0 | 0 | 106 | T565 E569 | T565-Q567 PolarHBondContact O-N 2.96Å; Q567-E569 HydrophobicContact CB-CB 4.46Å; Q567-E569 PolarHBondContact O-N 3.1Å | ||
| 568 | E | 37.6 | Very low | 38.6 | Very low | 144 Ų | 144 | 105.5 Ų | 105.5 | 67% | 0.673 | 55% | 0.554 | S | S | * | * | trans | -71 | 42.9 | 153 | -85.5 | -177.8 | -177.5 | 0 | 0 | 109.6 | V566 Y570 | V566-E568 HydrophobicContact CG1-CG 3.89Å; V566-E568 PolarHBondContact O-N 2.79Å; E568-Y570 PolarHBondContact O-N 3.49Å; E568-Y570 VanDerWaalsContact O-N 3.13Å | ||
| 569 | E | 35.6 | Very low | 40.4 | Very low | 109 Ų | 109 | 100.9 Ų | 100.9 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | trans | -81.6 | 99 | 171.7 | -81.2 | -175.6 | -154.6 | 0 | 0 | 107.6 | Q567 N571 | Q567-E569 HydrophobicContact CB-CB 4.46Å; Q567-E569 PolarHBondContact O-N 3.1Å; E569-N571 HydrophobicContact CB-CB 4.19Å; E569-N571 PolarHBondContact O-N 3.49Å; E569-N571 PolarHBondContact OE2-ND2 3.43Å | ||
| 570 | Y | 36.2 | Very low | 42.5 | Very low | 176 Ų | 176 | 97.7 Ų | 97.7 | 69% | 0.69 | 49% | 0.493 | S | S | * | . | trans | -60.6 | 19.2 | 160 | -113.5 | -86.2 | 0 | 0 | 0 | 113 | K258 E568 T572 | K258-Y570 WeakPolarHBondContact CE-OH 3.31Å; K258-Y570 PolarHBondContact NZ-OH 2.93Å; K258-Y570 VanDerWaalsContact NZ-OH 3.07Å; E568-Y570 PolarHBondContact O-N 3.49Å; E568-Y570 VanDerWaalsContact O-N 3.13Å; Y570-T572 PolarHBondContact O-N 3.23Å; Y570-T572 VanDerWaalsContact O-N 3.13Å | ||
| 571 | N | 37.4 | Very low | 44.3 | Very low | 79 Ų | 79 | 90.1 Ų | 90.1 | 42% | 0.422 | 46% | 0.463 | S | S | . | . | trans | -75.2 | 107.3 | -179.5 | -72.7 | -18.9 | 0 | 0 | 0 | 108.5 | E569 D573 N574 | E569-N571 HydrophobicContact CB-CB 4.19Å; E569-N571 PolarHBondContact O-N 3.49Å; E569-N571 PolarHBondContact OE2-ND2 3.43Å; N571-D573 HydrophobicContact CB-CB 4.3Å; N571-D573 PolarHBondContact O-N 3.43Å; N571-N574 PolarHBondContact O-N 3.22Å | ||
| 572 | T | 41.5 | Very low | 46.4 | Very low | 78 Ų | 78 | 82 Ų | 82 | 48% | 0.479 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -12.1 | 161.3 | 43.1 | 0 | 0 | 0 | 0 | 113.7 | Y570 W577 | Y570-T572 PolarHBondContact O-N 3.23Å; Y570-T572 VanDerWaalsContact O-N 3.13Å; T572-W577 PolarHBondContact O-NE1 3.32Å |
| 573 | D | 41 | Very low | 48.2 | Very low | 130 Ų | 130 | 77.1 Ų | 77.1 | 70% | 0.695 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -14.5 | -178.2 | -58.7 | -16.3 | 0 | 0 | 0 | 113.7 | N571 P575 | N571-D573 HydrophobicContact CB-CB 4.3Å; N571-D573 PolarHBondContact O-N 3.43Å; D573-P575 WeakPolarHBondContact O-CD 3.27Å |
| 574 | N | 47 | Very low | 50 | Low | 68 Ų | 68 | 70.5 Ų | 70.5 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -76.4 | 107.1 | 174.8 | -157.5 | -15.5 | 0 | 0 | 0 | 109.2 | N571 N576 W577 | N571-N574 PolarHBondContact O-N 3.22Å; N574-N576 PolarHBondContact O-N 2.85Å; N574-W577 PolarHBondContact O-N 3.05Å; N574-W577 VanDerWaalsContact O-N 3.12Å |
| 575 | P | 50.9 | Low | 51.2 | Low | 72 Ų | 72 | 70.4 Ų | 70.4 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21 | -164.5 | 26.3 | -36.5 | 0 | 0 | 0 | 113.3 | T196 D573 W577 | T196-P575 HydrophobicContact CG2-CB 3.88Å; T196-P575 WeakPolarHBondContact CG2-O 3.43Å; D573-P575 WeakPolarHBondContact O-CD 3.27Å; P575-W577 VanDerWaalsContact C-N 3.34Å; P575-W577 PolarHBondContact O-N 2.93Å |
| 576 | N | 56.3 | Low | 52.5 | Low | 50 Ų | 50 | 67.7 Ų | 67.7 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6.7 | -177.9 | -65.8 | -24.8 | 0 | 0 | 0 | 115 | T196 N574 Q578 L579 Y580 | T196-N576 WeakPolarHBondContact CG2-OD1 3.34Å; N574-N576 PolarHBondContact O-N 2.85Å; N576-Q578 PolarHBondContact O-N 3.19Å; N576-L579 WeakPolarHBondContact O-CB 3.47Å; N576-L579 PolarHBondContact O-N 3.44Å; N576-L579 VanDerWaalsContact O-N 3.08Å; N576-Y580 HydrophobicContact CB-CE2 3.86Å; N576-Y580 WeakPolarHBondContact O-CD2 3.28Å; N576-Y580 PolarHBondContact O-N 3.25Å |
| 577 | W | 59.4 | Low | 53.9 | Low | 97 Ų | 97 | 64.8 Ų | 64.8 | 37% | 0.367 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.1 | -35.5 | -176.7 | 78.5 | -100.2 | 0 | 0 | 0 | 112.9 | T572 N574 P575 R581 | T572-W577 PolarHBondContact O-NE1 3.32Å; N574-W577 PolarHBondContact O-N 3.05Å; N574-W577 VanDerWaalsContact O-N 3.12Å; P575-W577 VanDerWaalsContact C-N 3.34Å; P575-W577 PolarHBondContact O-N 2.93Å; W577-R581 PolarHBondContact O-N 3.28Å |
| 578 | Q | 58.7 | Low | 55.1 | Low | 69 Ų | 69 | 61.4 Ų | 61.4 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 178 | -63.9 | -166.9 | 10.2 | 0 | 0 | 111.1 | N576 R581 C582 | N576-Q578 PolarHBondContact O-N 3.19Å; Q578-R581 WeakPolarHBondContact O-CB 3.45Å; Q578-R581 PolarHBondContact O-N 3.34Å; Q578-C582 PolarHBondContact O-N 3.48Å; Q578-C582 PolarHBondContact O-SG 3.45Å |
| 579 | L | 63.9 | Low | 56.1 | Low | 13 Ų | 13 | 56.9 Ų | 56.9 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 178.5 | -175.6 | 67.8 | 0 | 0 | 0 | 111.7 | L191 N576 R581 C582 W583 | L191-L579 HydrophobicContact CD1-CD1 3.92Å; N576-L579 WeakPolarHBondContact O-CB 3.47Å; N576-L579 PolarHBondContact O-N 3.44Å; N576-L579 VanDerWaalsContact O-N 3.08Å; L579-R581 PolarHBondContact O-N 3.31Å; L579-C582 PolarHBondContact O-N 3.17Å; L579-C582 VanDerWaalsContact O-N 3.07Å; L579-W583 HydrophobicContact CD2-CH2 4.11Å; L579-W583 HydrophobicContact CD2-CZ2 3.91Å; L579-W583 HydrophobicContact CG-CH2 4.45Å; L579-W583 HydrophobicContact CG-CZ2 4.05Å; L579-W583 PolarHBondContact O-N 3.2Å |
| 580 | Y | 69.2 | Low | 57 | Low | 28 Ų | 28 | 55.9 Ų | 55.9 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -30.8 | 177.9 | -57.6 | -33.5 | 0 | 0 | 0 | 112.9 | L58 L251 I253 Y255 N576 W583 A584 | L58-Y580 HydrophobicContact CD2-CD2 3.94Å; L58-Y580 HydrophobicContact CD2-CE2 3.45Å; L58-Y580 VanDerWaalsContact CD2-CE2 3.45Å; L251-Y580 HydrophobicContact CD2-CE1 3.6Å; L251-Y580 HydrophobicContact CD2-CE2 4.19Å; L251-Y580 VanDerWaalsContact CD2-CZ 3.4Å; L251-Y580 WeakPolarHBondContact CD2-OH 3.45Å; I253-Y580 HydrophobicContact CD1-CD1 3.42Å; I253-Y580 VanDerWaalsContact CD1-CD1 3.42Å; I253-Y580 HydrophobicContact CD1-CD2 4.4Å; I253-Y580 HydrophobicContact CD1-CE1 3.93Å; I253-Y580 HydrophobicContact CD1-CG 3.69Å; Y255-Y580 PolarHBondContact OH-O 3.3Å; N576-Y580 HydrophobicContact CB-CE2 3.86Å; N576-Y580 WeakPolarHBondContact O-CD2 3.28Å; N576-Y580 PolarHBondContact O-N 3.25Å; Y580-W583 AromaticContact CD1-CE3 3.68Å; Y580-W583 HydrophobicContact CD1-CE3 3.68Å; Y580-W583 HydrophobicContact CD1-CH2 4.31Å; Y580-W583 AromaticContact CD1-CZ3 3.41Å; Y580-W583 HydrophobicContact CD1-CZ3 3.41Å; Y580-W583 VanDerWaalsContact CD1-CZ3 3.41Å; Y580-W583 HydrophobicContact CE1-CE3 4.33Å; Y580-W583 HydrophobicContact CE1-CH2 4.2Å; Y580-W583 AromaticContact CE1-CZ3 3.59Å; Y580-W583 HydrophobicContact CE1-CZ3 3.59Å; Y580-A584 PolarHBondContact O-N 3.44Å |
| 581 | R | 64.7 | Low | 57.9 | Low | 53 Ų | 53 | 49 Ų | 49 | 20% | 0.2 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.2 | -45.1 | 171.5 | -174.7 | 179.6 | 176.3 | -172.4 | -3.6 | 111.7 | T319 W577 Q578 L579 W583 A584 D585 | T319-R581 VanDerWaalsContact CB-NH2 3.3Å; W577-R581 PolarHBondContact O-N 3.28Å; Q578-R581 WeakPolarHBondContact O-CB 3.45Å; Q578-R581 PolarHBondContact O-N 3.34Å; L579-R581 PolarHBondContact O-N 3.31Å; R581-W583 PolarHBondContact O-N 3.16Å; R581-A584 WeakPolarHBondContact O-CB 3.26Å; R581-A584 PolarHBondContact O-N 2.69Å; R581-A584 VanDerWaalsContact O-N 3.15Å; R581-D585 PolarHBondContact O-N 2.75Å |
| 582 | C | 66.4 | Low | 58.9 | Low | 7 Ų | 7 | 48.8 Ų | 48.8 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -32.4 | 177.9 | -45.7 | 0 | 0 | 0 | 0 | 111.5 | C187 Q578 L579 F586 | C187-C582 VanDerWaalsContact CA-SG 3.56Å; C187-C582 HydrophobicContact CB-CB 4.2Å; C187-C582 WeakPolarHBondContact CB-SG 3.27Å; C187-C582 WeakPolarHBondContact SG-CB 3.49Å; C187-C582 CovalentContact SG-SG 2.07Å; C187-C582 PolarHBondContact SG-SG 2.58Å; Q578-C582 PolarHBondContact O-N 3.48Å; Q578-C582 PolarHBondContact O-SG 3.45Å; L579-C582 PolarHBondContact O-N 3.17Å; L579-C582 VanDerWaalsContact O-N 3.07Å; C582-F586 WeakPolarHBondContact O-CB 3.45Å; C582-F586 PolarHBondContact O-N 3.14Å |
| 583 | W | 69.3 | Low | 60 | Low | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 173.1 | -72.5 | -19.9 | 0 | 0 | 0 | 113.2 | I85 Q87 L191 I253 L579 Y580 R581 F586 L587 V601 | I85-W583 HydrophobicContact CD1-CB 3.82Å; I85-W583 HydrophobicContact CD1-CD2 3.44Å; I85-W583 VanDerWaalsContact CD1-CD2 3.44Å; I85-W583 HydrophobicContact CD1-CE3 3.56Å; I85-W583 HydrophobicContact CD1-CG 3.59Å; I85-W583 HydrophobicContact CD1-CZ3 4.3Å; I85-W583 HydrophobicContact CG2-CD2 4.31Å; I85-W583 HydrophobicContact CG2-CH2 4.18Å; I85-W583 HydrophobicContact CG2-CZ2 3.84Å; Q87-W583 HydrophobicContact CG-CZ2 4.23Å; L191-W583 VanDerWaalsContact CD1-CD1 3.42Å; I253-W583 HydrophobicContact CD1-CE3 4.23Å; I253-W583 HydrophobicContact CD1-CZ3 4.25Å; L579-W583 HydrophobicContact CD2-CH2 4.11Å; L579-W583 HydrophobicContact CD2-CZ2 3.91Å; L579-W583 HydrophobicContact CG-CH2 4.45Å; L579-W583 HydrophobicContact CG-CZ2 4.05Å; L579-W583 PolarHBondContact O-N 3.2Å; Y580-W583 AromaticContact CD1-CE3 3.68Å; Y580-W583 HydrophobicContact CD1-CE3 3.68Å; Y580-W583 HydrophobicContact CD1-CH2 4.31Å; Y580-W583 AromaticContact CD1-CZ3 3.41Å; Y580-W583 HydrophobicContact CD1-CZ3 3.41Å; Y580-W583 VanDerWaalsContact CD1-CZ3 3.41Å; Y580-W583 HydrophobicContact CE1-CE3 4.33Å; Y580-W583 HydrophobicContact CE1-CH2 4.2Å; Y580-W583 AromaticContact CE1-CZ3 3.59Å; Y580-W583 HydrophobicContact CE1-CZ3 3.59Å; R581-W583 PolarHBondContact O-N 3.16Å; W583-F586 PolarHBondContact O-N 3.42Å; W583-L587 WeakPolarHBondContact O-CB 3.32Å; W583-L587 WeakPolarHBondContact O-CG 3.42Å; W583-L587 PolarHBondContact O-N 3.43Å; W583-V601 HydrophobicContact CE3-CG2 3.89Å; W583-V601 HydrophobicContact CH2-CG1 3.68Å; W583-V601 HydrophobicContact CH2-CG2 4.12Å; W583-V601 HydrophobicContact CZ3-CB 4.18Å; W583-V601 HydrophobicContact CZ3-CG1 3.76Å; W583-V601 HydrophobicContact CZ3-CG2 3.32Å |
| 584 | A | 67.7 | Low | 61.4 | Low | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.5 | -46 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P53 Y255 Y580 R581 F586 L587 E588 | P53-A584 HydrophobicContact CB-CB 4.27Å; P53-A584 HydrophobicContact CG-CB 3.62Å; Y255-A584 HydrophobicContact CD1-CB 4.23Å; Y255-A584 HydrophobicContact CE1-CB 3.41Å; Y255-A584 VanDerWaalsContact CE1-CB 3.41Å; Y580-A584 PolarHBondContact O-N 3.44Å; R581-A584 WeakPolarHBondContact O-CB 3.26Å; R581-A584 PolarHBondContact O-N 2.69Å; R581-A584 VanDerWaalsContact O-N 3.15Å; A584-F586 VanDerWaalsContact C-N 3.3Å; A584-F586 PolarHBondContact O-N 3.4Å; A584-L587 PolarHBondContact O-N 3.39Å; A584-E588 PolarHBondContact O-N 2.9Å |
| 585 | D | 62.3 | Low | 62.3 | Low | 49 Ų | 49 | 40.7 Ų | 40.7 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 176 | -75.2 | -17.5 | 0 | 0 | 0 | 111.7 | R581 S589 | R581-D585 PolarHBondContact O-N 2.75Å; D585-S589 VanDerWaalsContact O-CB 3.3Å; D585-S589 WeakPolarHBondContact O-CB 3.41Å; D585-S589 PolarHBondContact O-N 2.93Å; D585-S589 VanDerWaalsContact O-N 3.1Å; D585-S589 PolarHBondContact O-OG 3.45Å |
| 586 | F | 63.6 | Low | 63.1 | Low | 39 Ų | 39 | 38 Ų | 38 | 17% | 0.171 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -46.5 | 176.5 | -170.7 | -76.4 | 0 | 0 | 0 | 111.5 | L156 M213 C582 W583 A584 S589 | L156-F586 HydrophobicContact CD1-CE2 4.4Å; L156-F586 HydrophobicContact CD2-CE2 4.41Å; M213-F586 HydrophobicContact CE-CB 4.46Å; M213-F586 HydrophobicContact CE-CD1 2.97Å; M213-F586 HydrophobicContact CE-CD2 4.46Å; M213-F586 HydrophobicContact CE-CE1 3.04Å; M213-F586 HydrophobicContact CE-CG 3.74Å; M213-F586 HydrophobicContact CE-CZ 3.86Å; M213-F586 HydrophobicContact SD-CD1 4.26Å; C582-F586 WeakPolarHBondContact O-CB 3.45Å; C582-F586 PolarHBondContact O-N 3.14Å; W583-F586 PolarHBondContact O-N 3.42Å; A584-F586 VanDerWaalsContact C-N 3.3Å; A584-F586 PolarHBondContact O-N 3.4Å; F586-S589 PolarHBondContact O-N 2.71Å; F586-S589 PolarHBondContact O-OG 3.37Å |
| 587 | L | 65.3 | Low | 63.9 | Low | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.4 | -51.6 | -179.5 | -74.9 | 169.5 | 0 | 0 | 0 | 111.5 | A83 M213 I215 W583 A584 S589 R590 V591 V594 V599 | A83-L587 HydrophobicContact CB-CD1 3.94Å; A83-L587 HydrophobicContact CB-CD2 3.53Å; A83-L587 HydrophobicContact CB-CG 4.41Å; M213-L587 HydrophobicContact SD-CD2 4.15Å; M213-L587 HydrophobicContact SD-CG 4.31Å; I215-L587 HydrophobicContact CD1-CD2 3.97Å; I215-L587 HydrophobicContact CG1-CD2 4.3Å; W583-L587 WeakPolarHBondContact O-CB 3.32Å; W583-L587 WeakPolarHBondContact O-CG 3.42Å; W583-L587 PolarHBondContact O-N 3.43Å; A584-L587 PolarHBondContact O-N 3.39Å; L587-S589 PolarHBondContact O-N 3.29Å; L587-S589 VanDerWaalsContact O-N 3.16Å; L587-R590 PolarHBondContact O-N 3.32Å; L587-R590 VanDerWaalsContact O-N 3.13Å; L587-V591 PolarHBondContact O-N 2.9Å; L587-V594 HydrophobicContact CB-CG2 3.71Å; L587-V594 HydrophobicContact CD1-CG2 4.44Å; L587-V599 HydrophobicContact CD1-CG1 4.25Å; L587-V599 HydrophobicContact CD1-CG2 3.54Å |
| 588 | E | 62.9 | Low | 64.7 | Low | 23 Ų | 23 | 36.8 Ų | 36.8 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -25 | 177.2 | -74.2 | -158.5 | 153.7 | 0 | 0 | 112.9 | P53 A584 R590 V591 V594 N595 | P53-E588 VanDerWaalsContact CD-CD 3.46Å; P53-E588 WeakPolarHBondContact CD-OE1 3.35Å; P53-E588 WeakPolarHBondContact CD-OE2 3.41Å; P53-E588 HydrophobicContact CG-CG 4.16Å; A584-E588 PolarHBondContact O-N 2.9Å; E588-R590 PolarHBondContact O-N 3.26Å; E588-V591 WeakPolarHBondContact CA-O 3.39Å; E588-V594 HydrophobicContact CG-CB 4.15Å; E588-V594 HydrophobicContact CG-CG2 3.72Å; E588-V594 PolarHBondContact OE1-N 3.47Å; E588-N595 PolarHBondContact OE1-ND2 3.4Å |
| 589 | S | 58 | Low | 65.7 | Low | 49 Ų | 49 | 33.5 Ų | 33.5 | 34% | 0.343 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -16.2 | 178.6 | 73.7 | 0 | 0 | 0 | 0 | 115.2 | R49 D585 F586 L587 | R49-S589 VanDerWaalsContact CZ-CA 3.41Å; R49-S589 VanDerWaalsContact NH1-CB 3.32Å; R49-S589 VanDerWaalsContact NH1-N 3.18Å; D585-S589 VanDerWaalsContact O-CB 3.3Å; D585-S589 WeakPolarHBondContact O-CB 3.41Å; D585-S589 PolarHBondContact O-N 2.93Å; D585-S589 VanDerWaalsContact O-N 3.1Å; D585-S589 PolarHBondContact O-OG 3.45Å; F586-S589 PolarHBondContact O-N 2.71Å; F586-S589 PolarHBondContact O-OG 3.37Å; L587-S589 PolarHBondContact O-N 3.29Å; L587-S589 VanDerWaalsContact O-N 3.16Å |
| 590 | R | 55.5 | Low | 66.6 | Low | 88 Ų | 88 | 32.9 Ų | 32.9 | 33% | 0.332 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -146.9 | -12.3 | -167.7 | -52.6 | -173.5 | -179.2 | -151.9 | -7.6 | 115.2 | V138 L587 E588 | V138-R590 PolarHBondContact O-NH1 3.16Å; V138-R590 PolarHBondContact O-NH2 3.23Å; L587-R590 PolarHBondContact O-N 3.32Å; L587-R590 VanDerWaalsContact O-N 3.13Å; E588-R590 PolarHBondContact O-N 3.26Å |
| 591 | V | 54.6 | Low | 67.1 | Low | 32 Ų | 32 | 32.2 Ų | 32.2 | 19% | 0.194 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -138.2 | 145.5 | 175.8 | 178 | 0 | 0 | 0 | 0 | 106.3 | I215 L587 E588 | I215-V591 HydrophobicContact CD1-CB 4.11Å; I215-V591 HydrophobicContact CD1-CG2 3.33Å; I215-V591 HydrophobicContact CG2-CB 4.37Å; I215-V591 HydrophobicContact CG2-CG1 3.65Å; I215-V591 HydrophobicContact CG2-CG2 4.08Å; L587-V591 PolarHBondContact O-N 2.9Å; E588-V591 WeakPolarHBondContact CA-O 3.39Å |
| 592 | S | 58.8 | Low | 67.7 | Low | 73 Ų | 73 | 30 Ų | 30 | 51% | 0.51 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -37.4 | 157.4 | -176 | 54.6 | 0 | 0 | 0 | 0 | 115.7 | V594 | S592-V594 PolarHBondContact O-N 2.9Š|
| 593 | T | 65.2 | Low | 68.2 | Low | 80 Ų | 80 | 30 Ų | 30 | 49% | 0.491 | 16% | 0.16 | S | C | . | . | trans | -39.4 | 129.2 | -179.1 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | N595 | T593-N595 VanDerWaalsContact C-N 3.25Š| ||
| 594 | V | 69.2 | Low | 68.5 | Low | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -80.9 | -12.5 | 177.1 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | P53 Y255 L587 E588 S592 G596 R597 V599 | P53-V594 HydrophobicContact CB-CB 4.47Å; Y255-V594 HydrophobicContact CD2-CG1 3.2Å; Y255-V594 HydrophobicContact CE2-CG1 3.58Å; Y255-V594 HydrophobicContact CG-CG1 3.73Å; L587-V594 HydrophobicContact CB-CG2 3.71Å; L587-V594 HydrophobicContact CD1-CG2 4.44Å; E588-V594 HydrophobicContact CG-CB 4.15Å; E588-V594 HydrophobicContact CG-CG2 3.72Å; E588-V594 PolarHBondContact OE1-N 3.47Å; S592-V594 PolarHBondContact O-N 2.9Å; V594-G596 PolarHBondContact O-N 3.16Å; V594-R597 PolarHBondContact O-N 2.98Å; V594-R597 VanDerWaalsContact O-N 3.11Å; V594-V599 HydrophobicContact CG1-CG2 4.06Å | ||
| 595 | N | 67.1 | Low | 69 | Low | 27 Ų | 27 | 32.3 Ų | 32.3 | 14% | 0.144 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 126.5 | -178.3 | -61.1 | -48.9 | 0 | 0 | 0 | 113.3 | F51 P53 I257 E588 T593 R597 | F51-N595 VanDerWaalsContact CB-ND2 3.31Å; F51-N595 WeakPolarHBondContact CB-ND2 3.42Å; P53-N595 WeakPolarHBondContact CA-OD1 3.39Å; P53-N595 WeakPolarHBondContact CB-OD1 3.24Å; I257-N595 HydrophobicContact CG1-CB 3.89Å; E588-N595 PolarHBondContact OE1-ND2 3.4Å; T593-N595 VanDerWaalsContact C-N 3.25Å; N595-R597 VanDerWaalsContact C-N 3.28Å |
| 596 | G | 66.2 | Low | 69.8 | Low | 14 Ų | 14 | 31.5 Ų | 31.5 | 14% | 0.144 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 7.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y254 Y255 V594 | Y254-G596 WeakPolarHBondContact CE2-O 3.5Å; Y255-G596 WeakPolarHBondContact O-CA 3.49Å; Y255-G596 PolarHBondContact O-N 2.98Å; V594-G596 PolarHBondContact O-N 3.16Å |
| 597 | R | 74.4 | Confident | 70.7 | Confident | 116 Ų | 116 | 29.7 Ų | 29.7 | 44% | 0.438 | 16% | 0.162 | S | C | . | . | trans | -127.3 | 167.1 | -179.1 | -56.9 | -175.8 | 178.1 | 177.1 | -2.3 | 110.4 | V82 Y255 V594 N595 | V82-R597 HydrophobicContact CG2-CB 3.3Å; V82-R597 VanDerWaalsContact CG2-CD 3.41Å; V82-R597 HydrophobicContact CG2-CG 4Å; Y255-R597 PolarHBondContact N-O 3.24Å; V594-R597 PolarHBondContact O-N 2.98Å; V594-R597 VanDerWaalsContact O-N 3.11Å; N595-R597 VanDerWaalsContact C-N 3.28Å | ||
| 598 | F | 76.5 | Confident | 71.4 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 154.9 | 176.3 | 65.9 | -80.3 | 0 | 0 | 0 | 113.4 | W75 L76 D79 P81 V82 H252 I253 Y254 T600 | W75-F598 HydrophobicContact CE3-CB 4.07Å; W75-F598 AromaticContact CE3-CD1 3.74Å; W75-F598 HydrophobicContact CE3-CD1 3.74Å; W75-F598 HydrophobicContact CE3-CE1 4.4Å; W75-F598 HydrophobicContact CE3-CG 4.02Å; W75-F598 HydrophobicContact CZ3-CB 3.79Å; W75-F598 HydrophobicContact CZ3-CD1 4.07Å; W75-F598 HydrophobicContact CZ3-CD2 4.43Å; W75-F598 AromaticContact CZ3-CG 3.87Å; W75-F598 HydrophobicContact CZ3-CG 3.87Å; W75-F598 WeakPolarHBondContact O-CE1 3.38Å; L76-F598 HydrophobicContact CD1-CD2 4.18Å; L76-F598 HydrophobicContact CD1-CE1 4.47Å; L76-F598 HydrophobicContact CD1-CE2 3.72Å; L76-F598 HydrophobicContact CD1-CZ 3.9Å; D79-F598 HydrophobicContact CB-CE1 4.08Å; D79-F598 WeakPolarHBondContact O-CE1 3.41Å; D79-F598 WeakPolarHBondContact O-CZ 3.48Å; P81-F598 WeakPolarHBondContact CA-O 3.31Å; P81-F598 HydrophobicContact CB-CD2 3.93Å; P81-F598 HydrophobicContact CB-CE2 3.59Å; P81-F598 HydrophobicContact CB-CZ 4.12Å; P81-F598 HydrophobicContact CG-CE2 4.08Å; P81-F598 HydrophobicContact CG-CZ 4.4Å; V82-F598 PolarHBondContact N-O 3.44Å; H252-F598 AromaticContact ND1-CD2 3.98Å; H252-F598 AromaticContact ND1-CE2 3.91Å; I253-F598 CarbonylContact O-C 3.6Å; I253-F598 WeakPolarHBondContact O-CA 3.18Å; I253-F598 VanDerWaalsContact O-CB 3.31Å; I253-F598 WeakPolarHBondContact O-CB 3.13Å; Y254-F598 HydrophobicContact CD2-CB 4.07Å; F598-T600 WeakPolarHBondContact CE2-OG1 3.44Å |
| 599 | V | 79.7 | Confident | 72.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137.4 | 170.4 | 173.1 | 0 | 0 | 0 | 0 | 107.5 | V82 A83 I85 I253 Y255 L587 V594 | V82-V599 HydrophobicContact CB-CG2 4.49Å; A83-V599 WeakPolarHBondContact O-CG1 3.45Å; I85-V599 HydrophobicContact CD1-CG1 3.54Å; I85-V599 HydrophobicContact CG1-CG1 3.7Å; I253-V599 PolarHBondContact N-O 2.9Å; I253-V599 PolarHBondContact O-N 3.4Å; Y255-V599 HydrophobicContact CD2-CG2 4.29Å; Y255-V599 HydrophobicContact CE2-CB 3.99Å; Y255-V599 HydrophobicContact CE2-CG2 3.64Å; L587-V599 HydrophobicContact CD1-CG1 4.25Å; L587-V599 HydrophobicContact CD1-CG2 3.54Å; V594-V599 HydrophobicContact CG1-CG2 4.06Å |
| 600 | T | 81.3 | Confident | 73.1 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.5 | 179.3 | -57 | 0 | 0 | 0 | 0 | 109.4 | A83 Y84 I85 I250 H252 F598 | A83-T600 PolarHBondContact O-N 2.96Å; Y84-T600 CarbonylContact C-O 3.54Å; Y84-T600 VanDerWaalsContact CA-O 3.27Å; Y84-T600 WeakPolarHBondContact CA-O 3.31Å; Y84-T600 HydrophobicContact CD1-CG2 4.02Å; Y84-T600 HydrophobicContact CE1-CG2 4.11Å; I85-T600 PolarHBondContact N-O 2.78Å; I250-T600 HydrophobicContact CG2-CG2 3.41Å; I250-T600 VanDerWaalsContact CG2-CG2 3.41Å; H252-T600 VanDerWaalsContact CE1-CG2 3.4Å; H252-T600 WeakPolarHBondContact CE1-CG2 3Å; H252-T600 WeakPolarHBondContact ND1-CG2 3.32Å; H252-T600 PolarHBondContact ND1-OG1 2.5Å; F598-T600 WeakPolarHBondContact CE2-OG1 3.44Å |
| 601 | V | 80.3 | Confident | 73.9 | Confident | 13 Ų | 13 | 28.3 Ų | 28.3 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 116.9 | 177.3 | -176.4 | 0 | 0 | 0 | 0 | 107.1 | I85 L251 I253 W583 | I85-V601 HydrophobicContact CB-CG2 4.29Å; I85-V601 HydrophobicContact CD1-CG2 4.45Å; L251-V601 HydrophobicContact CB-CB 4.12Å; L251-V601 HydrophobicContact CD2-CB 4.46Å; L251-V601 PolarHBondContact N-O 2.96Å; L251-V601 WeakPolarHBondContact O-CB 3.3Å; L251-V601 PolarHBondContact O-N 2.82Å; I253-V601 HydrophobicContact CD1-CG2 3.64Å; I253-V601 HydrophobicContact CG1-CG2 4.25Å; W583-V601 HydrophobicContact CE3-CG2 3.89Å; W583-V601 HydrophobicContact CH2-CG1 3.68Å; W583-V601 HydrophobicContact CH2-CG2 4.12Å; W583-V601 HydrophobicContact CZ3-CB 4.18Å; W583-V601 HydrophobicContact CZ3-CG1 3.76Å; W583-V601 HydrophobicContact CZ3-CG2 3.32Å |
| 602 | L | 78.1 | Confident | 74.9 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 154.7 | 178.2 | -69.4 | 166.4 | 0 | 0 | 0 | 110 | V64 Y84 I85 V86 V222 I250 | V64-L602 HydrophobicContact CG2-CD2 4.01Å; Y84-L602 HydrophobicContact CD1-CD1 4.37Å; I85-L602 PolarHBondContact O-N 3.48Å; V86-L602 HydrophobicContact CG2-CB 4.08Å; V86-L602 HydrophobicContact CG2-CD1 3.6Å; V86-L602 HydrophobicContact CG2-CG 4.41Å; V222-L602 HydrophobicContact CG1-CD1 3.23Å; I250-L602 HydrophobicContact CD1-CD2 4.32Å; I250-L602 HydrophobicContact CG1-CD2 4.07Å; I250-L602 HydrophobicContact CG2-CD2 4.27Å |
| 603 | P | 75.6 | Confident | 75.7 | Confident | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 139.3 | 178.5 | -16.2 | 23.5 | 0 | 0 | 0 | 110.8 | R226 D248 I250 | R226-P603 VanDerWaalsContact NH2-CG 3.33Å; D248-P603 WeakPolarHBondContact OD1-CB 3.15Å; I250-P603 HydrophobicContact CG1-CG 4.4Å |
| 604 | P | 76.7 | Confident | 76.3 | Confident | 42 Ų | 42 | 31.3 Ų | 31.3 | 27% | 0.273 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 142.3 | -179.2 | 25.2 | -33.4 | 0 | 0 | 0 | 111.4 | Q87 I89 H606 | Q87-P604 HydrophobicContact CB-CB 4.23Å; Q87-P604 CarbonylContact O-C 3.57Å; Q87-P604 VanDerWaalsContact O-CA 3.24Å; Q87-P604 WeakPolarHBondContact O-CA 2.88Å; I89-P604 HydrophobicContact CD1-CB 3.83Å; I89-P604 HydrophobicContact CD1-CG 4.42Å; I89-P604 HydrophobicContact CG1-CB 4.3Å; P604-H606 WeakPolarHBondContact CG-NE2 3.22Å; P604-H606 PolarHBondContact O-N 3.44Å |
| 605 | V | 77.1 | Confident | 76.5 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 105.8 | 171.5 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | V86 Q87 V88 I89 T230 L607 | V86-V605 HydrophobicContact CG1-CG2 4.32Å; Q87-V605 PolarHBondContact O-N 2.85Å; V88-V605 CarbonylContact C-O 3.58Å; V88-V605 WeakPolarHBondContact CA-O 3.35Å; V88-V605 HydrophobicContact CG2-CB 4.41Å; I89-V605 PolarHBondContact N-O 3.4Å; T230-V605 HydrophobicContact CG2-CG1 4.1Å; T230-V605 HydrophobicContact CG2-CG2 4.03Å; V605-L607 HydrophobicContact CG1-CD2 4.21Å; V605-L607 HydrophobicContact CG1-CG 4.28Å |
| 606 | H | 80.6 | Confident | 77.1 | Confident | 31 Ų | 31 | 32.3 Ų | 32.3 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 122.5 | 175.7 | -65.6 | -77.6 | 0 | 0 | 0 | 111.5 | I89 H91 W241 E246 P604 | I89-H606 WeakPolarHBondContact O-CA 3.45Å; H91-H606 AromaticContact CD2-ND1 3.76Å; H91-H606 AromaticContact CE1-ND1 3.89Å; H91-H606 AromaticContact NE2-CE1 3.76Å; H91-H606 AromaticContact NE2-CG 3.85Å; H91-H606 AromaticContact NE2-ND1 2.97Å; H91-H606 PolarHBondContact NE2-ND1 2.84Å; W241-H606 HydrophobicContact CB-CB 4.05Å; W241-H606 PolarHBondContact N-O 3.1Å; E246-H606 IonicContact OE2-NE2 2.8Å; P604-H606 WeakPolarHBondContact CG-NE2 3.22Å; P604-H606 PolarHBondContact O-N 3.44Å |
| 607 | L | 82 | Confident | 77.7 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.8 | 175.3 | -61.8 | 177.5 | 0 | 0 | 0 | 108.6 | V88 I89 V90 H91 L119 G233 F238 T239 V605 | V88-L607 HydrophobicContact CG1-CD1 3.65Å; V88-L607 HydrophobicContact CG1-CG 4.22Å; I89-L607 PolarHBondContact O-N 2.9Å; V90-L607 CarbonylContact C-O 3.53Å; V90-L607 VanDerWaalsContact CA-O 3.25Å; V90-L607 WeakPolarHBondContact CA-O 3.29Å; H91-L607 PolarHBondContact N-O 3.22Å; L119-L607 HydrophobicContact CD1-CD1 3.55Å; L119-L607 HydrophobicContact CD2-CD1 3.9Å; L119-L607 HydrophobicContact CG-CD1 4.38Å; G233-L607 VanDerWaalsContact CA-CD2 3.48Å; F238-L607 HydrophobicContact CD1-CB 4.4Å; F238-L607 HydrophobicContact CD1-CD1 4.39Å; T239-L607 CarbonylContact O-C 3.57Å; T239-L607 WeakPolarHBondContact O-CA 3.19Å; V605-L607 HydrophobicContact CG1-CD2 4.21Å; V605-L607 HydrophobicContact CG1-CG 4.28Å |
| 608 | A | 79.4 | Confident | 78.1 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 141.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | H91 T93 F238 T239 W241 | H91-A608 CarbonylContact O-C 3.58Å; H91-A608 WeakPolarHBondContact O-CA 3.1Å; T93-A608 HydrophobicContact CG2-CB 3.96Å; F238-A608 CarbonylContact C-O 3.59Å; F238-A608 WeakPolarHBondContact CA-O 3.14Å; T239-A608 PolarHBondContact N-O 2.74Å; T239-A608 PolarHBondContact O-N 2.97Å; T239-A608 WeakPolarHBondContact OG1-CB 3.46Å; T239-A608 PolarHBondContact OG1-O 2.8Å; W241-A608 HydrophobicContact CB-CB 4.06Å; W241-A608 HydrophobicContact CD2-CB 4.25Å; W241-A608 HydrophobicContact CE3-CB 3.54Å; W241-A608 HydrophobicContact CZ3-CB 4.35Å |
| 609 | V | 81.1 | Confident | 78.4 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118.6 | 171.8 | 172.4 | 0 | 0 | 0 | 0 | 108.4 | V90 H91 T93 A115 F238 L611 | V90-V609 HydrophobicContact CG1-CB 4.26Å; V90-V609 HydrophobicContact CG1-CG2 3.38Å; H91-V609 PolarHBondContact O-N 2.68Å; T93-V609 PolarHBondContact N-O 3.34Å; T93-V609 PolarHBondContact OG1-O 3.32Å; A115-V609 HydrophobicContact CB-CG1 4.1Å; F238-V609 HydrophobicContact CD1-CG2 3.31Å; F238-V609 HydrophobicContact CE1-CG2 3.26Å; F238-V609 HydrophobicContact CG-CG2 4.41Å; F238-V609 HydrophobicContact CZ-CG2 4.33Å; V609-L611 HydrophobicContact CG1-CD2 4.07Å; V609-L611 HydrophobicContact CG1-CG 4.42Å |
| 610 | Q | 74.9 | Confident | 78.4 | Confident | 114 Ų | 114 | 32.2 Ų | 32.2 | 53% | 0.533 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -85.9 | 117.7 | 165.5 | -74.7 | -177.2 | -8 | 0 | 0 | 108.9 | T93 | T93-Q610 WeakPolarHBondContact OG1-CG 3.15Š|
| 611 | L | 73.4 | Confident | 78.4 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 117.7 | 174.2 | -66.7 | 172.3 | 0 | 0 | 0 | 108.9 | F99 L108 F112 V609 V616 | F99-L611 HydrophobicContact CZ-CB 4.1Å; F99-L611 VanDerWaalsContact CZ-O 3.23Å; F99-L611 WeakPolarHBondContact CZ-O 3.44Å; L108-L611 HydrophobicContact CD2-CD1 4.5Å; F112-L611 HydrophobicContact CB-CD1 4.41Å; V609-L611 HydrophobicContact CG1-CD2 4.07Å; V609-L611 HydrophobicContact CG1-CG 4.42Å; L611-V616 HydrophobicContact CB-CG2 4.44Å |
| 612 | N | 75.4 | Confident | 78.4 | Confident | 99 Ų | 99 | 46.6 Ų | 46.6 | 53% | 0.529 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -85.5 | 142.8 | 172.9 | -69.8 | -8.5 | 0 | 0 | 0 | 110.2 | A614 S615 V616 | N612-A614 PolarHBondContact O-N 2.94Å; N612-A614 VanDerWaalsContact O-N 3.14Å; N612-S615 PolarHBondContact N-OG 3.04Å; N612-S615 WeakPolarHBondContact O-CB 3.29Å; N612-S615 PolarHBondContact O-N 3.44Å; N612-S615 PolarHBondContact O-OG 3.43Å; N612-V616 PolarHBondContact O-N 2.93Å |
| 613 | E | 76 | Confident | 78.2 | Confident | 82 Ų | 82 | 47.3 Ų | 47.3 | 38% | 0.383 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -51.8 | -39 | 175.4 | -76 | -167.6 | 153.4 | 0 | 0 | 112.5 | F99 S100 F103 S615 V616 A617 | F99-E613 HydrophobicContact CD1-CG 3.55Å; F99-E613 HydrophobicContact CE1-CB 4.37Å; F99-E613 HydrophobicContact CE1-CG 3.59Å; S100-E613 PolarHBondContact N-OE1 3.45Å; S100-E613 VanDerWaalsContact N-OE1 3.12Å; S100-E613 PolarHBondContact OG-OE1 3.02Å; F103-E613 HydrophobicContact CE2-CG 4.3Å; E613-S615 VanDerWaalsContact C-N 3.34Å; E613-S615 PolarHBondContact O-N 3.31Å; E613-V616 PolarHBondContact O-N 3.49Å; E613-A617 WeakPolarHBondContact O-CB 3.21Å; E613-A617 PolarHBondContact O-N 3.39Å |
| 614 | A | 76.7 | Confident | 78.3 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 55% | 0.554 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.3 | -35.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N612 N618 | N612-A614 PolarHBondContact O-N 2.94Å; N612-A614 VanDerWaalsContact O-N 3.14Å; A614-N618 WeakPolarHBondContact O-CB 3.4Å; A614-N618 VanDerWaalsContact O-CG 3.31Å; A614-N618 PolarHBondContact O-N 2.81Å; A614-N618 PolarHBondContact O-ND2 3.08Å |
| 615 | S | 75.3 | Confident | 78.2 | Confident | 48 Ų | 48 | 58.8 Ų | 58.8 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.3 | -41 | 177.9 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | N612 E613 N618 M619 | N612-S615 PolarHBondContact N-OG 3.04Å; N612-S615 WeakPolarHBondContact O-CB 3.29Å; N612-S615 PolarHBondContact O-N 3.44Å; N612-S615 PolarHBondContact O-OG 3.43Å; E613-S615 VanDerWaalsContact C-N 3.34Å; E613-S615 PolarHBondContact O-N 3.31Å; S615-N618 PolarHBondContact O-N 3.27Å; S615-M619 WeakPolarHBondContact O-CB 3.32Å; S615-M619 PolarHBondContact O-N 2.65Å |
| 616 | V | 78.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 175.7 | -179 | 0 | 0 | 0 | 0 | 110.1 | F99 F103 L108 L611 N612 E613 N618 M619 I620 | F99-V616 HydrophobicContact CE1-CG2 4.16Å; F99-V616 HydrophobicContact CZ-CG2 4.41Å; F103-V616 HydrophobicContact CD1-CG1 3.93Å; F103-V616 HydrophobicContact CD2-CG1 4.41Å; F103-V616 HydrophobicContact CE1-CG1 4.17Å; F103-V616 HydrophobicContact CG-CG1 4.06Å; L108-V616 HydrophobicContact CD2-CG1 4.37Å; L108-V616 HydrophobicContact CD2-CG2 4.01Å; L611-V616 HydrophobicContact CB-CG2 4.44Å; N612-V616 PolarHBondContact O-N 2.93Å; E613-V616 PolarHBondContact O-N 3.49Å; V616-N618 PolarHBondContact O-N 2.98Å; V616-M619 HydrophobicContact CB-CE 4.45Å; V616-M619 HydrophobicContact CG1-CE 3.87Å; V616-M619 WeakPolarHBondContact O-CE 3.44Å; V616-M619 PolarHBondContact O-N 3.07Å; V616-I620 HydrophobicContact CG1-CD1 3.99Å; V616-I620 VanDerWaalsContact O-CG1 3.29Å; V616-I620 WeakPolarHBondContact O-CG1 3.46Å; V616-I620 PolarHBondContact O-N 3.05Å |
| 617 | A | 80.4 | Confident | 77 | Confident | 36 Ų | 36 | 65 Ų | 65 | 30% | 0.298 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E613 I620 R621 | E613-A617 WeakPolarHBondContact O-CB 3.21Å; E613-A617 PolarHBondContact O-N 3.39Å; A617-I620 PolarHBondContact O-N 3.23Å; A617-R621 WeakPolarHBondContact O-CG 3.49Å; A617-R621 PolarHBondContact O-N 3.36Å |
| 618 | N | 82 | Confident | 75.8 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 175.9 | -80.2 | -19.2 | 0 | 0 | 0 | 112.4 | A614 S615 V616 R621 R622 | A614-N618 WeakPolarHBondContact O-CB 3.4Å; A614-N618 VanDerWaalsContact O-CG 3.31Å; A614-N618 PolarHBondContact O-N 2.81Å; A614-N618 PolarHBondContact O-ND2 3.08Å; S615-N618 PolarHBondContact O-N 3.27Å; V616-N618 PolarHBondContact O-N 2.98Å; N618-R621 WeakPolarHBondContact O-CB 3.3Å; N618-R621 PolarHBondContact O-N 3.23Å; N618-R622 WeakPolarHBondContact O-CG 3.46Å; N618-R622 PolarHBondContact O-N 2.91Å |
| 619 | M | 82.2 | Confident | 74.6 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 174.3 | 172.4 | -84.1 | -48.5 | 0 | 0 | 111.4 | H107 R110 E114 L170 S615 V616 R621 R622 T623 | H107-M619 HydrophobicContact CB-CE 4.21Å; H107-M619 WeakPolarHBondContact O-CE 3.22Å; R110-M619 HydrophobicContact CB-SD 3.95Å; E114-M619 VanDerWaalsContact OE2-CB 3.31Å; E114-M619 WeakPolarHBondContact OE2-CB 3.36Å; E114-M619 WeakPolarHBondContact OE2-CG 3.31Å; L170-M619 HydrophobicContact CD2-CG 4.01Å; S615-M619 WeakPolarHBondContact O-CB 3.32Å; S615-M619 PolarHBondContact O-N 2.65Å; V616-M619 HydrophobicContact CB-CE 4.45Å; V616-M619 HydrophobicContact CG1-CE 3.87Å; V616-M619 WeakPolarHBondContact O-CE 3.44Å; V616-M619 PolarHBondContact O-N 3.07Å; M619-R621 VanDerWaalsContact C-N 3.34Å; M619-R621 PolarHBondContact O-N 2.97Å; M619-R622 PolarHBondContact O-N 3.29Å; M619-T623 WeakPolarHBondContact O-CG2 3.43Å; M619-T623 PolarHBondContact O-N 2.82Å; M619-T623 PolarHBondContact O-OG1 2.63Å; M619-T623 VanDerWaalsContact O-OG1 3.08Å; M619-T623 HydrophobicContact SD-CG2 3.97Å |
| 620 | I | 80.7 | Confident | 73 | Confident | 18 Ų | 18 | 76.3 Ų | 76.3 | 9% | 0.092 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 172.2 | -68.4 | 165.1 | 0 | 0 | 0 | 111.2 | F103 H107 V616 A617 T623 R624 | F103-I620 HydrophobicContact CD1-CD1 3.49Å; F103-I620 VanDerWaalsContact CD1-CD1 3.49Å; F103-I620 HydrophobicContact CE1-CD1 3.52Å; H107-I620 HydrophobicContact CB-CD1 4.35Å; H107-I620 HydrophobicContact CB-CG1 4.38Å; V616-I620 HydrophobicContact CG1-CD1 3.99Å; V616-I620 VanDerWaalsContact O-CG1 3.29Å; V616-I620 WeakPolarHBondContact O-CG1 3.46Å; V616-I620 PolarHBondContact O-N 3.05Å; A617-I620 PolarHBondContact O-N 3.23Å; I620-T623 WeakPolarHBondContact CA-OG1 3.3Å; I620-T623 PolarHBondContact O-OG1 3.36Å; I620-R624 WeakPolarHBondContact O-CB 3.22Å; I620-R624 VanDerWaalsContact O-CG 3.32Å; I620-R624 WeakPolarHBondContact O-CG 3.26Å; I620-R624 PolarHBondContact O-N 2.85Å |
| 621 | R | 80.9 | Confident | 71.6 | Confident | 182 Ų | 182 | 73.8 Ų | 73.8 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 173.7 | -72.9 | 178.3 | -179.5 | 179.5 | -0.2 | 111.8 | A617 N618 M619 R624 A625 | A617-R621 WeakPolarHBondContact O-CG 3.49Å; A617-R621 PolarHBondContact O-N 3.36Å; N618-R621 WeakPolarHBondContact O-CB 3.3Å; N618-R621 PolarHBondContact O-N 3.23Å; M619-R621 VanDerWaalsContact C-N 3.34Å; M619-R621 PolarHBondContact O-N 2.97Å; R621-R624 PolarHBondContact O-N 3.34Å; R621-A625 WeakPolarHBondContact O-CB 3.49Å; R621-A625 PolarHBondContact O-N 3.07Å |
| 622 | R | 80.4 | Confident | 70.2 | Confident | 134 Ų | 134 | 78.2 Ų | 78.2 | 51% | 0.506 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 178.5 | -71 | 176.8 | -178.8 | 170 | 1.9 | 112.9 | E114 L170 N618 M619 R624 A625 A626 | E114-R622 IonicContact OE1-NH1 3.24Å; E114-R622 PolarHBondContact OE1-NH1 3.17Å; L170-R622 HydrophobicContact CD1-CB 4.11Å; N618-R622 WeakPolarHBondContact O-CG 3.46Å; N618-R622 PolarHBondContact O-N 2.91Å; M619-R622 PolarHBondContact O-N 3.29Å; R622-R624 VanDerWaalsContact C-N 3.33Å; R622-A625 PolarHBondContact O-N 3Å; R622-A626 WeakPolarHBondContact O-CB 3.4Å; R622-A626 PolarHBondContact O-N 3.34Å |
| 623 | T | 74.4 | Confident | 68.7 | Low | 21 Ų | 21 | 79.6 Ų | 79.6 | 13% | 0.129 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 175.2 | 51.5 | 0 | 0 | 0 | 0 | 112 | L170 M619 I620 | L170-T623 HydrophobicContact CB-CG2 4.17Å; L170-T623 HydrophobicContact CD2-CG2 3.45Å; L170-T623 VanDerWaalsContact CD2-CG2 3.45Å; L170-T623 HydrophobicContact CG-CG2 4.41Å; M619-T623 WeakPolarHBondContact O-CG2 3.43Å; M619-T623 PolarHBondContact O-N 2.82Å; M619-T623 PolarHBondContact O-OG1 2.63Å; M619-T623 VanDerWaalsContact O-OG1 3.08Å; M619-T623 HydrophobicContact SD-CG2 3.97Å; I620-T623 WeakPolarHBondContact CA-OG1 3.3Å; I620-T623 PolarHBondContact O-OG1 3.36Å |
| 624 | R | 77.6 | Confident | 67 | Low | 209 Ų | 209 | 84.7 Ų | 84.7 | 79% | 0.789 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -68.3 | -35.5 | 172.1 | -72 | 179.7 | -172.9 | -178.9 | 3.3 | 112.6 | I620 R621 R622 | I620-R624 WeakPolarHBondContact O-CB 3.22Å; I620-R624 VanDerWaalsContact O-CG 3.32Å; I620-R624 WeakPolarHBondContact O-CG 3.26Å; I620-R624 PolarHBondContact O-N 2.85Å; R621-R624 PolarHBondContact O-N 3.34Å; R622-R624 VanDerWaalsContact C-N 3.33Å |
| 625 | A | 74.7 | Confident | 65.2 | Low | 82 Ų | 82 | 84.6 Ų | 84.6 | 68% | 0.678 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -76.6 | -27.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R621 R622 Q627 | R621-A625 WeakPolarHBondContact O-CB 3.49Å; R621-A625 PolarHBondContact O-N 3.07Å; R622-A625 PolarHBondContact O-N 3Å; A625-Q627 PolarHBondContact O-N 3.01Å |
| 626 | A | 68.3 | Low | 63.8 | Low | 14 Ų | 14 | 88.4 Ų | 88.4 | 12% | 0.116 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -69.5 | 121.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L170 R622 | L170-A626 HydrophobicContact CB-CB 4.35Å; R622-A626 WeakPolarHBondContact O-CB 3.4Å; R622-A626 PolarHBondContact O-N 3.34Å |
| 627 | Q | 62.8 | Low | 62.1 | Low | 159 Ų | 159 | 92.2 Ų | 92.2 | 74% | 0.743 | 44% | 0.441 | S | S | * | . | trans | -59.6 | 136.5 | 172.2 | -74 | -176.6 | -15.7 | 0 | 0 | 109.7 | A625 V629 | A625-Q627 PolarHBondContact O-N 3.01Å; Q627-V629 PolarHBondContact O-N 3.21Å | ||
| 628 | P | 57.3 | Low | 60.3 | Low | 68 Ų | 68 | 97.9 Ų | 97.9 | 44% | 0.442 | 46% | 0.459 | S | S | . | . | trans | -65.9 | 103 | 179.6 | 27.4 | -33.7 | 0 | 0 | 0 | 109.5 | I630 | P628-I630 PolarHBondContact O-N 2.96Š| ||
| 629 | V | 54.9 | Low | 58.4 | Low | 59 Ų | 59 | 102.7 Ų | 102.7 | 36% | 0.358 | 48% | 0.477 | S | S | . | . | trans | -78.5 | 104.8 | 166 | -177.7 | 0 | 0 | 0 | 0 | 105.6 | A171 Q627 I631 | A171-V629 HydrophobicContact CB-CB 3.97Å; A171-V629 HydrophobicContact CB-CG2 3.95Å; Q627-V629 PolarHBondContact O-N 3.21Å; V629-I631 VanDerWaalsContact C-N 3.33Å; V629-I631 PolarHBondContact O-N 3.33Å | ||
| 630 | I | 46.9 | Very low | 56.3 | Low | 113 Ų | 113 | 106.5 Ų | 106.5 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | trans | -63.2 | 105.9 | 164.4 | -55.5 | 174.6 | 0 | 0 | 0 | 104.6 | P628 E632 | P628-I630 PolarHBondContact O-N 2.96Å; I630-E632 HydrophobicContact CG2-CG 3.85Å; I630-E632 PolarHBondContact O-N 3.16Å | ||
| 631 | I | 46.1 | Very low | 54.2 | Low | 62 Ų | 62 | 109.5 Ų | 109.5 | 32% | 0.318 | 52% | 0.517 | S | S | . | . | trans | -69.9 | 69.2 | 166.8 | -51 | 172.9 | 0 | 0 | 0 | 106.3 | V168 D172 V629 | V168-I631 HydrophobicContact CG1-CD1 3.86Å; V168-I631 HydrophobicContact CG1-CG1 4.44Å; D172-I631 HydrophobicContact CB-CD1 4.06Å; V629-I631 VanDerWaalsContact C-N 3.33Å; V629-I631 PolarHBondContact O-N 3.33Å | ||
| 632 | E | 42.3 | Very low | 52.7 | Low | 109 Ų | 109 | 105.3 Ų | 105.3 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | trans | -66.7 | 130.7 | 147.5 | -78.1 | -171.3 | -173.5 | 0 | 0 | 105.2 | I630 R634 D635 | I630-E632 HydrophobicContact CG2-CG 3.85Å; I630-E632 PolarHBondContact O-N 3.16Å; E632-R634 PolarHBondContact O-N 3.35Å; E632-D635 PolarHBondContact O-N 3.48Å | ||
| 633 | N | 44.5 | Very low | 50.9 | Low | 128 Ų | 128 | 107 Ų | 107 | 68% | 0.684 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 18.6 | 175.4 | -97.8 | -19.6 | 0 | 0 | 0 | 114.2 | Y636 | N633-Y636 WeakPolarHBondContact O-CE1 3.06Š|
| 634 | R | 40.4 | Very low | 49.4 | Very low | 189 Ų | 189 | 110 Ų | 110 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -28.1 | -179.6 | -67 | -174.7 | 172.6 | -164.7 | 0.1 | 113.2 | E632 | E632-R634 PolarHBondContact O-N 3.35Š|
| 635 | D | 39.4 | Very low | 48 | Very low | 65 Ų | 65 | 101.5 Ų | 101.5 | 35% | 0.348 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -85.3 | -19 | -167.6 | -83.8 | -30.2 | 0 | 0 | 0 | 116.5 | E632 K637 K638 | E632-D635 PolarHBondContact O-N 3.48Å; D635-K637 PolarHBondContact O-N 3.37Å; D635-K637 VanDerWaalsContact O-N 3.08Å; D635-K638 PolarHBondContact O-N 3.09Å; D635-K638 VanDerWaalsContact O-N 3.11Å; D635-K638 WeakPolarHBondContact OD1-CE 3.2Å; D635-K638 IonicContact OD1-NZ 2.86Å; D635-K638 PolarHBondContact OD1-NZ 3.38Å |
| 636 | Y | 46.2 | Very low | 47 | Very low | 128 Ų | 128 | 103.4 Ų | 103.4 | 50% | 0.502 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -61.6 | -20.3 | 172.5 | 69.7 | -96.5 | 0 | 0 | 0 | 112.7 | N633 K638 F639 | N633-Y636 WeakPolarHBondContact O-CE1 3.06Å; Y636-K638 PolarHBondContact O-N 3.47Å; Y636-F639 PolarHBondContact O-N 3.03Å |
| 637 | K | 40.6 | Very low | 46.4 | Very low | 80 Ų | 80 | 107.8 Ų | 107.8 | 35% | 0.348 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -70.3 | -9.9 | 178 | -63.5 | -178.5 | -179.7 | -179.8 | 0 | 113.5 | D635 L645 | D635-K637 PolarHBondContact O-N 3.37Å; D635-K637 VanDerWaalsContact O-N 3.08Å; K637-L645 HydrophobicContact CB-CD1 4.17Å; K637-L645 WeakPolarHBondContact O-CD1 3.42Å |
| 638 | K | 42.9 | Very low | 45.9 | Very low | 156 Ų | 156 | 102.1 Ų | 102.1 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -81.8 | -21 | 177.7 | -73.4 | 175.4 | 176.5 | 154.8 | 0 | 113.4 | D635 Y636 | D635-K638 PolarHBondContact O-N 3.09Å; D635-K638 VanDerWaalsContact O-N 3.11Å; D635-K638 WeakPolarHBondContact OD1-CE 3.2Å; D635-K638 IonicContact OD1-NZ 2.86Å; D635-K638 PolarHBondContact OD1-NZ 3.38Å; Y636-K638 PolarHBondContact O-N 3.47Å |
| 639 | F | 42.7 | Very low | 45.9 | Very low | 179 Ų | 179 | 105.3 Ų | 105.3 | 79% | 0.785 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -102.5 | 1.8 | -170.4 | -69.8 | -79.4 | 0 | 0 | 0 | 115.2 | Y636 | Y636-F639 PolarHBondContact O-N 3.03Š|
| 640 | L | 37.9 | Very low | 46.4 | Very low | 81 Ų | 81 | 110.9 Ų | 110.9 | 42% | 0.424 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -92.8 | 135.1 | 176.7 | -77.7 | 155.9 | 0 | 0 | 0 | 110.7 | L645 | L640-L645 HydrophobicContact CB-CB 4.42Å; L640-L645 HydrophobicContact CB-CD1 3.63Å; L640-L645 HydrophobicContact CD1-CD1 3.82Å; L640-L645 HydrophobicContact CG-CD1 4.37Å |
| 641 | P | 37.7 | Very low | 47.2 | Very low | 81 Ų | 81 | 109.1 Ų | 109.1 | 53% | 0.526 | 52% | 0.518 | S | S | . | . | trans | -58.6 | 141.8 | 176.8 | 22.5 | -30.4 | 0 | 0 | 0 | 111.5 | K643 E644 L645 | P641-K643 VanDerWaalsContact C-N 3.29Å; P641-K643 PolarHBondContact O-N 2.94Å; P641-E644 HydrophobicContact CG-CG 4.43Å; P641-E644 WeakPolarHBondContact CG-OE2 3.44Å; P641-E644 PolarHBondContact O-N 2.87Å; P641-L645 PolarHBondContact O-N 3.21Å | ||
| 642 | S | 47.7 | Very low | 47.9 | Very low | 95 Ų | 95 | 109.1 Ų | 109.1 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.5 | -30.6 | -160 | 58.1 | 0 | 0 | 0 | 0 | 115.7 | Q646 | S642-Q646 PolarHBondContact O-N 3.49Å |
| 643 | K | 42.7 | Very low | 49 | Very low | 169 Ų | 169 | 111.3 Ų | 111.3 | 74% | 0.735 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.5 | -39.1 | 177.9 | -75.1 | -175.3 | 176.2 | 179.2 | 0 | 113 | P641 Q646 I647 | P641-K643 VanDerWaalsContact C-N 3.29Å; P641-K643 PolarHBondContact O-N 2.94Å; K643-Q646 PolarHBondContact O-N 3.12Å; K643-I647 PolarHBondContact O-N 3.15Å |
| 644 | E | 43.2 | Very low | 50 | Low | 84 Ų | 84 | 109.7 Ų | 109.7 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.6 | -35.3 | 179 | -66.5 | -179.2 | 169.9 | 0 | 0 | 111.5 | L141 P641 Q646 I647 G648 | L141-E644 WeakPolarHBondContact CD2-OE1 3Å; P641-E644 HydrophobicContact CG-CG 4.43Å; P641-E644 WeakPolarHBondContact CG-OE2 3.44Å; P641-E644 PolarHBondContact O-N 2.87Å; E644-Q646 VanDerWaalsContact C-N 3.26Å; E644-Q646 PolarHBondContact O-N 2.82Å; E644-I647 PolarHBondContact O-N 2.98Å; E644-G648 PolarHBondContact O-N 3.25Å |
| 645 | L | 49 | Very low | 51.2 | Low | 31 Ų | 31 | 106.6 Ų | 106.6 | 16% | 0.162 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -60.8 | -36 | 173.8 | -159.1 | 90.3 | 0 | 0 | 0 | 111.8 | K637 L640 P641 R649 | K637-L645 HydrophobicContact CB-CD1 4.17Å; K637-L645 WeakPolarHBondContact O-CD1 3.42Å; L640-L645 HydrophobicContact CB-CB 4.42Å; L640-L645 HydrophobicContact CB-CD1 3.63Å; L640-L645 HydrophobicContact CD1-CD1 3.82Å; L640-L645 HydrophobicContact CG-CD1 4.37Å; P641-L645 PolarHBondContact O-N 3.21Å; L645-R649 VanDerWaalsContact CD2-CZ 3.44Å; L645-R649 HydrophobicContact CG-CG 4.49Å; L645-R649 WeakPolarHBondContact O-CB 3.21Å; L645-R649 WeakPolarHBondContact O-CD 3.29Å; L645-R649 WeakPolarHBondContact O-CG 3.38Å; L645-R649 PolarHBondContact O-N 3.1Å |
| 646 | Q | 53.5 | Low | 52.8 | Low | 122 Ų | 122 | 107.1 Ų | 107.1 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.9 | -43.2 | 178.4 | -77.2 | -169.6 | -5.8 | 0 | 0 | 112.4 | S642 K643 E644 R650 | S642-Q646 PolarHBondContact O-N 3.49Å; K643-Q646 PolarHBondContact O-N 3.12Å; E644-Q646 VanDerWaalsContact C-N 3.26Å; E644-Q646 PolarHBondContact O-N 2.82Å; Q646-R650 WeakPolarHBondContact O-CB 3.33Å; Q646-R650 VanDerWaalsContact O-CG 3.31Å; Q646-R650 WeakPolarHBondContact O-CG 3.38Å; Q646-R650 PolarHBondContact O-N 2.92Å |
| 647 | I | 54.7 | Low | 54 | Low | 105 Ų | 105 | 104.7 Ų | 104.7 | 54% | 0.538 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.4 | -47 | -179.6 | -63.4 | 163.3 | 0 | 0 | 0 | 110.1 | K643 E644 R649 R650 I651 | K643-I647 PolarHBondContact O-N 3.15Å; E644-I647 PolarHBondContact O-N 2.98Å; I647-R649 VanDerWaalsContact C-N 3.35Å; I647-R649 PolarHBondContact O-N 3.47Å; I647-R650 PolarHBondContact O-N 2.86Å; I647-R650 VanDerWaalsContact O-N 3.14Å; I647-I651 HydrophobicContact CG2-CD1 3.68Å; I647-I651 HydrophobicContact CG2-CG1 4.38Å; I647-I651 WeakPolarHBondContact O-CG1 3.18Å; I647-I651 PolarHBondContact O-N 3.49Å |
| 648 | G | 54.1 | Low | 55 | Low | 40 Ų | 40 | 103.9 Ų | 103.9 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E644 S652 | E644-G648 PolarHBondContact O-N 3.25Å; G648-S652 WeakPolarHBondContact O-CB 3.34Å; G648-S652 PolarHBondContact O-N 3.26Å |
| 649 | R | 56.4 | Low | 56.1 | Low | 135 Ų | 135 | 99.7 Ų | 99.7 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 171.8 | -79.8 | 176.1 | -178.5 | -167.2 | 1.5 | 111.8 | L645 I647 W653 | L645-R649 VanDerWaalsContact CD2-CZ 3.44Å; L645-R649 HydrophobicContact CG-CG 4.49Å; L645-R649 WeakPolarHBondContact O-CB 3.21Å; L645-R649 WeakPolarHBondContact O-CD 3.29Å; L645-R649 WeakPolarHBondContact O-CG 3.38Å; L645-R649 PolarHBondContact O-N 3.1Å; I647-R649 VanDerWaalsContact C-N 3.35Å; I647-R649 PolarHBondContact O-N 3.47Å; R649-W653 WeakPolarHBondContact O-CA 3.25Å; R649-W653 WeakPolarHBondContact O-CB 3.48Å; R649-W653 PolarHBondContact O-N 3.25Å |
| 650 | R | 66.6 | Low | 57.5 | Low | 176 Ų | 176 | 94.9 Ų | 94.9 | 66% | 0.664 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | 178.1 | -81.1 | 179.4 | 178.7 | -175.9 | 0.8 | 111.4 | Q646 I647 W653 L654 | Q646-R650 WeakPolarHBondContact O-CB 3.33Å; Q646-R650 VanDerWaalsContact O-CG 3.31Å; Q646-R650 WeakPolarHBondContact O-CG 3.38Å; Q646-R650 PolarHBondContact O-N 2.92Å; I647-R650 PolarHBondContact O-N 2.86Å; I647-R650 VanDerWaalsContact O-N 3.14Å; R650-W653 PolarHBondContact O-N 3.09Å; R650-L654 WeakPolarHBondContact O-CB 3.25Å; R650-L654 WeakPolarHBondContact O-CD1 3.27Å; R650-L654 WeakPolarHBondContact O-CG 3.14Å; R650-L654 PolarHBondContact O-N 3.2Å |
| 651 | I | 63.7 | Low | 59.1 | Low | 77 Ų | 77 | 93.7 Ų | 93.7 | 40% | 0.395 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.8 | -48.9 | 178.7 | -64.8 | 166.5 | 0 | 0 | 0 | 110.6 | I647 W653 L654 E655 | I647-I651 HydrophobicContact CG2-CD1 3.68Å; I647-I651 HydrophobicContact CG2-CG1 4.38Å; I647-I651 WeakPolarHBondContact O-CG1 3.18Å; I647-I651 PolarHBondContact O-N 3.49Å; I651-W653 VanDerWaalsContact C-N 3.3Å; I651-W653 PolarHBondContact O-N 3.5Å; I651-L654 CarbonylContact O-C 3.59Å; I651-L654 PolarHBondContact O-N 3.03Å; I651-E655 WeakPolarHBondContact O-CB 3.28Å; I651-E655 WeakPolarHBondContact O-CG 3.17Å; I651-E655 PolarHBondContact O-N 3.49Å |
| 652 | S | 59.2 | Low | 60.3 | Low | 61 Ų | 61 | 90.4 Ų | 90.4 | 43% | 0.427 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 175.6 | 161.5 | 0 | 0 | 0 | 0 | 111.8 | G648 E655 V656 | G648-S652 WeakPolarHBondContact O-CB 3.34Å; G648-S652 PolarHBondContact O-N 3.26Å; S652-E655 PolarHBondContact O-N 2.94Å; S652-V656 WeakPolarHBondContact O-CB 3.47Å; S652-V656 WeakPolarHBondContact O-CG2 3.49Å; S652-V656 PolarHBondContact O-N 3.47Å |
| 653 | W | 65.2 | Low | 61.3 | Low | 155 Ų | 155 | 90.6 Ų | 90.6 | 59% | 0.587 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.7 | -39.7 | 177.8 | -171.7 | 83.3 | 0 | 0 | 0 | 110.7 | R649 R650 I651 V656 Q657 | R649-W653 WeakPolarHBondContact O-CA 3.25Å; R649-W653 WeakPolarHBondContact O-CB 3.48Å; R649-W653 PolarHBondContact O-N 3.25Å; R650-W653 PolarHBondContact O-N 3.09Å; I651-W653 VanDerWaalsContact C-N 3.3Å; I651-W653 PolarHBondContact O-N 3.5Å; W653-V656 PolarHBondContact O-N 3.42Å; W653-Q657 HydrophobicContact CD2-CG 3.8Å; W653-Q657 HydrophobicContact CE3-CG 3.87Å; W653-Q657 HydrophobicContact CG-CG 4.45Å; W653-Q657 HydrophobicContact CH2-CG 3.95Å; W653-Q657 HydrophobicContact CZ2-CG 3.86Å; W653-Q657 HydrophobicContact CZ3-CG 3.95Å; W653-Q657 VanDerWaalsContact O-CB 3.27Å; W653-Q657 WeakPolarHBondContact O-CB 3.44Å; W653-Q657 WeakPolarHBondContact O-CG 3.47Å; W653-Q657 PolarHBondContact O-N 3.5Å |
| 654 | L | 67.1 | Low | 62.6 | Low | 94 Ų | 94 | 87.7 Ų | 87.7 | 49% | 0.492 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63 | -44 | 171.7 | -78.7 | 162.2 | 0 | 0 | 0 | 111.5 | R650 I651 Q657 M658 | R650-L654 WeakPolarHBondContact O-CB 3.25Å; R650-L654 WeakPolarHBondContact O-CD1 3.27Å; R650-L654 WeakPolarHBondContact O-CG 3.14Å; R650-L654 PolarHBondContact O-N 3.2Å; I651-L654 CarbonylContact O-C 3.59Å; I651-L654 PolarHBondContact O-N 3.03Å; L654-Q657 PolarHBondContact O-N 3.23Å; L654-M658 WeakPolarHBondContact O-CB 3.43Å; L654-M658 WeakPolarHBondContact O-CG 3.08Å; L654-M658 PolarHBondContact O-N 2.91Å |
| 655 | E | 64.8 | Low | 63.4 | Low | 124 Ų | 124 | 84.2 Ų | 84.2 | 58% | 0.579 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.9 | -45.4 | 174.2 | -80.8 | -178.1 | 168.1 | 0 | 0 | 111.2 | I651 S652 M658 T659 | I651-E655 WeakPolarHBondContact O-CB 3.28Å; I651-E655 WeakPolarHBondContact O-CG 3.17Å; I651-E655 PolarHBondContact O-N 3.49Å; S652-E655 PolarHBondContact O-N 2.94Å; E655-M658 PolarHBondContact O-N 3.07Å; E655-T659 VanDerWaalsContact O-CB 3.23Å; E655-T659 WeakPolarHBondContact O-CB 3.13Å; E655-T659 PolarHBondContact O-N 3.12Å; E655-T659 PolarHBondContact O-OG1 3.13Å |
| 656 | V | 72.3 | Confident | 63.9 | Low | 77 Ų | 77 | 83.5 Ų | 83.5 | 47% | 0.467 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 176.9 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | S652 W653 M658 T659 V660 | S652-V656 WeakPolarHBondContact O-CB 3.47Å; S652-V656 WeakPolarHBondContact O-CG2 3.49Å; S652-V656 PolarHBondContact O-N 3.47Å; W653-V656 PolarHBondContact O-N 3.42Å; V656-M658 PolarHBondContact O-N 3.33Å; V656-T659 PolarHBondContact O-N 3.22Å; V656-V660 HydrophobicContact CG1-CG2 4.19Å; V656-V660 VanDerWaalsContact O-CB 3.26Å; V656-V660 WeakPolarHBondContact O-CB 3.41Å; V656-V660 WeakPolarHBondContact O-CG2 3.32Å; V656-V660 PolarHBondContact O-N 3.05Å |
| 657 | Q | 71.6 | Confident | 64.5 | Low | 77 Ų | 77 | 80.2 Ų | 80.2 | 36% | 0.36 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 175.7 | -73.1 | -65.3 | -42 | 0 | 0 | 110.6 | W653 L654 V660 V661 | W653-Q657 HydrophobicContact CD2-CG 3.8Å; W653-Q657 HydrophobicContact CE3-CG 3.87Å; W653-Q657 HydrophobicContact CG-CG 4.45Å; W653-Q657 HydrophobicContact CH2-CG 3.95Å; W653-Q657 HydrophobicContact CZ2-CG 3.86Å; W653-Q657 HydrophobicContact CZ3-CG 3.95Å; W653-Q657 VanDerWaalsContact O-CB 3.27Å; W653-Q657 WeakPolarHBondContact O-CB 3.44Å; W653-Q657 WeakPolarHBondContact O-CG 3.47Å; W653-Q657 PolarHBondContact O-N 3.5Å; L654-Q657 PolarHBondContact O-N 3.23Å; Q657-V660 PolarHBondContact O-N 3.13Å; Q657-V661 WeakPolarHBondContact O-CB 3.32Å; Q657-V661 WeakPolarHBondContact O-CG2 3.43Å; Q657-V661 PolarHBondContact O-N 2.79Å |
| 658 | M | 62.6 | Low | 64.9 | Low | 62 Ų | 62 | 78.4 Ų | 78.4 | 31% | 0.305 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 177.7 | -72.4 | -169.1 | 82.7 | 0 | 0 | 112.1 | Y43 L654 E655 V656 L662 | Y43-M658 HydrophobicContact CD1-CE 3.44Å; Y43-M658 VanDerWaalsContact CD1-CE 3.44Å; Y43-M658 HydrophobicContact CD2-CE 3.75Å; Y43-M658 HydrophobicContact CE1-CE 3.19Å; Y43-M658 HydrophobicContact CE1-SD 3.75Å; Y43-M658 HydrophobicContact CE2-CE 3.53Å; Y43-M658 HydrophobicContact CE2-SD 4.33Å; Y43-M658 HydrophobicContact CG-CE 3.7Å; Y43-M658 PolarHBondContact OH-SD 3.07Å; L654-M658 WeakPolarHBondContact O-CB 3.43Å; L654-M658 WeakPolarHBondContact O-CG 3.08Å; L654-M658 PolarHBondContact O-N 2.91Å; E655-M658 PolarHBondContact O-N 3.07Å; V656-M658 PolarHBondContact O-N 3.33Å; M658-L662 WeakPolarHBondContact O-CA 3.41Å; M658-L662 WeakPolarHBondContact O-CB 3.36Å; M658-L662 PolarHBondContact O-N 3.23Å |
| 659 | T | 65.7 | Low | 65.2 | Low | 69 Ų | 69 | 77.2 Ų | 77.2 | 42% | 0.423 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.8 | -43.1 | 176.4 | -53.3 | 0 | 0 | 0 | 0 | 110.4 | E655 V656 L662 L663 | E655-T659 VanDerWaalsContact O-CB 3.23Å; E655-T659 WeakPolarHBondContact O-CB 3.13Å; E655-T659 PolarHBondContact O-N 3.12Å; E655-T659 PolarHBondContact O-OG1 3.13Å; V656-T659 PolarHBondContact O-N 3.22Å; T659-L662 PolarHBondContact O-N 3.35Å; T659-L663 WeakPolarHBondContact O-CB 3.32Å; T659-L663 PolarHBondContact O-N 3.06Å |
| 660 | V | 72.6 | Confident | 65.7 | Low | 77 Ų | 77 | 75.3 Ų | 75.3 | 47% | 0.467 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 174.9 | 169.1 | 0 | 0 | 0 | 0 | 110 | V656 Q657 L663 L664 | V656-V660 HydrophobicContact CG1-CG2 4.19Å; V656-V660 VanDerWaalsContact O-CB 3.26Å; V656-V660 WeakPolarHBondContact O-CB 3.41Å; V656-V660 WeakPolarHBondContact O-CG2 3.32Å; V656-V660 PolarHBondContact O-N 3.05Å; Q657-V660 PolarHBondContact O-N 3.13Å; V660-L663 PolarHBondContact O-N 3.05Å; V660-L664 WeakPolarHBondContact O-CB 3.48Å; V660-L664 PolarHBondContact O-N 2.9Å |
| 661 | V | 71.2 | Confident | 65.7 | Low | 56 Ų | 56 | 72 Ų | 72 | 34% | 0.339 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 176.7 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | F40 Q657 L664 T665 | F40-V661 HydrophobicContact CD1-CG1 4.38Å; F40-V661 HydrophobicContact CE1-CG1 4.13Å; Q657-V661 WeakPolarHBondContact O-CB 3.32Å; Q657-V661 WeakPolarHBondContact O-CG2 3.43Å; Q657-V661 PolarHBondContact O-N 2.79Å; V661-L664 CarbonylContact O-C 3.6Å; V661-L664 PolarHBondContact O-N 3.27Å; V661-T665 HydrophobicContact CG1-CG2 4.37Å; V661-T665 WeakPolarHBondContact O-CG2 3.4Å; V661-T665 PolarHBondContact O-N 2.81Å; V661-T665 PolarHBondContact O-OG1 3.4Å |
| 662 | L | 63.3 | Low | 65.4 | Low | 13 Ų | 13 | 69.9 Ų | 69.9 | 7% | 0.068 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 179.3 | -166 | 126 | 0 | 0 | 0 | 111.5 | F40 P44 H315 M658 T659 L664 T665 C666 | F40-L662 VanDerWaalsContact O-CD1 3.24Å; F40-L662 WeakPolarHBondContact O-CD1 3.46Å; P44-L662 HydrophobicContact CG-CD1 3.85Å; H315-L662 HydrophobicContact CB-CD2 4.27Å; H315-L662 VanDerWaalsContact CE1-CD2 3.45Å; H315-L662 WeakPolarHBondContact CE1-CD2 3.33Å; H315-L662 VanDerWaalsContact CG-CD2 3.47Å; H315-L662 WeakPolarHBondContact ND1-CD2 3.49Å; H315-L662 WeakPolarHBondContact NE2-CD2 3.37Å; M658-L662 WeakPolarHBondContact O-CA 3.41Å; M658-L662 WeakPolarHBondContact O-CB 3.36Å; M658-L662 PolarHBondContact O-N 3.23Å; T659-L662 PolarHBondContact O-N 3.35Å; L662-L664 VanDerWaalsContact C-N 3.3Å; L662-L664 PolarHBondContact O-N 2.8Å; L662-T665 VanDerWaalsContact CA-OG1 3.25Å; L662-T665 WeakPolarHBondContact CA-OG1 3.44Å; L662-T665 PolarHBondContact O-N 3.33Å; L662-T665 PolarHBondContact O-OG1 2.78Å; L662-C666 VanDerWaalsContact O-CB 3.31Å; L662-C666 WeakPolarHBondContact O-CB 3.37Å; L662-C666 PolarHBondContact O-N 3.47Å; L662-C666 PolarHBondContact O-SG 3.3Å; L662-C666 VanDerWaalsContact O-SG 3.38Å |
| 663 | L | 68.3 | Low | 65.1 | Low | 99 Ų | 99 | 68.5 Ų | 68.5 | 52% | 0.518 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 172.6 | -166.5 | 131.9 | 0 | 0 | 0 | 110.5 | T659 V660 C666 C667 | T659-L663 WeakPolarHBondContact O-CB 3.32Å; T659-L663 PolarHBondContact O-N 3.06Å; V660-L663 PolarHBondContact O-N 3.05Å; L663-C666 PolarHBondContact O-N 3.47Å; L663-C667 WeakPolarHBondContact O-CB 3.41Å; L663-C667 PolarHBondContact O-N 3.38Å; L663-C667 PolarHBondContact O-SG 2.84Å |
| 664 | L | 69.8 | Low | 65 | Low | 107 Ų | 107 | 66.2 Ų | 66.2 | 56% | 0.56 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -69.5 | -35.7 | 176.2 | -159.9 | 141.8 | 0 | 0 | 0 | 111.6 | V660 V661 L662 C667 L668 | V660-L664 WeakPolarHBondContact O-CB 3.48Å; V660-L664 PolarHBondContact O-N 2.9Å; V661-L664 CarbonylContact O-C 3.6Å; V661-L664 PolarHBondContact O-N 3.27Å; L662-L664 VanDerWaalsContact C-N 3.3Å; L662-L664 PolarHBondContact O-N 2.8Å; L664-C667 CarbonylContact O-C 3.48Å; L664-L668 WeakPolarHBondContact O-CB 3.42Å; L664-L668 PolarHBondContact O-N 3.33Å |
| 665 | T | 59.6 | Low | 64.3 | Low | 11 Ų | 11 | 67.5 Ų | 67.5 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73.8 | -36.7 | 172.9 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | M37 V661 L662 L668 F669 | M37-T665 HydrophobicContact CE-CG2 3.97Å; M37-T665 HydrophobicContact SD-CG2 4.26Å; V661-T665 HydrophobicContact CG1-CG2 4.37Å; V661-T665 WeakPolarHBondContact O-CG2 3.4Å; V661-T665 PolarHBondContact O-N 2.81Å; V661-T665 PolarHBondContact O-OG1 3.4Å; L662-T665 VanDerWaalsContact CA-OG1 3.25Å; L662-T665 WeakPolarHBondContact CA-OG1 3.44Å; L662-T665 PolarHBondContact O-N 3.33Å; L662-T665 PolarHBondContact O-OG1 2.78Å; T665-L668 CarbonylContact O-C 3.59Å; T665-L668 PolarHBondContact O-N 2.92Å; T665-F669 VanDerWaalsContact O-CB 3.22Å; T665-F669 WeakPolarHBondContact O-CB 3.38Å; T665-F669 PolarHBondContact O-N 2.91Å |
| 666 | C | 60.7 | Low | 63.7 | Low | 16 Ų | 16 | 63.2 Ų | 63.2 | 11% | 0.108 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 171.2 | -79.9 | 0 | 0 | 0 | 0 | 110.3 | L41 L662 L663 L668 F669 L670 | L41-C666 WeakPolarHBondContact CD2-SG 3.49Å; L662-C666 VanDerWaalsContact O-CB 3.31Å; L662-C666 WeakPolarHBondContact O-CB 3.37Å; L662-C666 PolarHBondContact O-N 3.47Å; L662-C666 PolarHBondContact O-SG 3.3Å; L662-C666 VanDerWaalsContact O-SG 3.38Å; L663-C666 PolarHBondContact O-N 3.47Å; C666-L668 VanDerWaalsContact C-N 3.33Å; C666-F669 PolarHBondContact O-N 3.3Å; C666-L670 VanDerWaalsContact O-CB 3.25Å; C666-L670 WeakPolarHBondContact O-CB 3.03Å; C666-L670 VanDerWaalsContact O-CG 3.29Å; C666-L670 WeakPolarHBondContact O-CG 3.24Å; C666-L670 PolarHBondContact O-N 3.46Å |
| 667 | C | 64.7 | Low | 62.6 | Low | 54 Ų | 54 | 64 Ų | 64 | 37% | 0.365 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 171.3 | -75.3 | 0 | 0 | 0 | 0 | 110.6 | L663 L664 L670 I671 | L663-C667 WeakPolarHBondContact O-CB 3.41Å; L663-C667 PolarHBondContact O-N 3.38Å; L663-C667 PolarHBondContact O-SG 2.84Å; L664-C667 CarbonylContact O-C 3.48Å; C667-L670 CarbonylContact O-C 3.54Å; C667-L670 PolarHBondContact O-N 3.37Å; C667-I671 WeakPolarHBondContact O-CA 3.19Å; C667-I671 WeakPolarHBondContact O-CB 3.27Å; C667-I671 VanDerWaalsContact O-CD1 3.3Å; C667-I671 WeakPolarHBondContact O-CD1 3.22Å; C667-I671 WeakPolarHBondContact O-CG1 3.26Å; C667-I671 PolarHBondContact O-N 2.77Å |
| 668 | L | 63.5 | Low | 61.7 | Low | 66 Ų | 66 | 63.6 Ų | 63.6 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.6 | -37.3 | 178.2 | -161.6 | 146 | 0 | 0 | 0 | 111.2 | L664 T665 C666 I671 V672 | L664-L668 WeakPolarHBondContact O-CB 3.42Å; L664-L668 PolarHBondContact O-N 3.33Å; T665-L668 CarbonylContact O-C 3.59Å; T665-L668 PolarHBondContact O-N 2.92Å; C666-L668 VanDerWaalsContact C-N 3.33Å; L668-I671 CarbonylContact O-C 3.52Å; L668-I671 PolarHBondContact O-N 2.72Å; L668-V672 HydrophobicContact CD2-CG2 3.95Å; L668-V672 VanDerWaalsContact O-CB 3.29Å; L668-V672 WeakPolarHBondContact O-CB 3.28Å; L668-V672 WeakPolarHBondContact O-CG2 3.44Å; L668-V672 PolarHBondContact O-N 3.43Å |
| 669 | F | 61.6 | Low | 61 | Low | 16 Ų | 16 | 63.2 Ų | 63.2 | 7% | 0.07 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 171.1 | 177.1 | -89.5 | 0 | 0 | 0 | 111 | M308 V406 Y410 T665 C666 V672 A673 | M308-F669 HydrophobicContact CE-CE2 3.92Å; M308-F669 HydrophobicContact CE-CZ 4.28Å; M308-F669 HydrophobicContact SD-CE2 4.42Å; V406-F669 HydrophobicContact CG1-CE1 3.64Å; V406-F669 HydrophobicContact CG1-CZ 3.8Å; Y410-F669 HydrophobicContact CD1-CD2 4.48Å; Y410-F669 AromaticContact CD1-CE2 3.83Å; Y410-F669 HydrophobicContact CD1-CE2 3.83Å; Y410-F669 AromaticContact CD2-CD2 3.79Å; Y410-F669 HydrophobicContact CD2-CD2 3.79Å; Y410-F669 AromaticContact CD2-CE2 3.38Å; Y410-F669 HydrophobicContact CD2-CE2 3.38Å; Y410-F669 HydrophobicContact CD2-CZ 4.3Å; Y410-F669 HydrophobicContact CE1-CE2 4.35Å; Y410-F669 AromaticContact CE2-CD2 3.9Å; Y410-F669 HydrophobicContact CE2-CD2 3.9Å; Y410-F669 AromaticContact CE2-CE2 3.96Å; Y410-F669 HydrophobicContact CE2-CE2 3.96Å; Y410-F669 HydrophobicContact CG-CD2 4.1Å; Y410-F669 AromaticContact CG-CE2 3.31Å; Y410-F669 HydrophobicContact CG-CE2 3.31Å; Y410-F669 HydrophobicContact CG-CZ 4.14Å; T665-F669 VanDerWaalsContact O-CB 3.22Å; T665-F669 WeakPolarHBondContact O-CB 3.38Å; T665-F669 PolarHBondContact O-N 2.91Å; C666-F669 PolarHBondContact O-N 3.3Å; F669-V672 CarbonylContact O-C 3.54Å; F669-V672 PolarHBondContact O-N 3.24Å; F669-A673 WeakPolarHBondContact O-CB 3.26Å; F669-A673 PolarHBondContact O-N 2.8Å |
| 670 | L | 66 | Low | 60 | Low | 95 Ų | 95 | 60.4 Ų | 60.4 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 173.9 | -78.2 | 168.7 | 0 | 0 | 0 | 111 | C666 C667 A673 I674 | C666-L670 VanDerWaalsContact O-CB 3.25Å; C666-L670 WeakPolarHBondContact O-CB 3.03Å; C666-L670 VanDerWaalsContact O-CG 3.29Å; C666-L670 WeakPolarHBondContact O-CG 3.24Å; C666-L670 PolarHBondContact O-N 3.46Å; C667-L670 CarbonylContact O-C 3.54Å; C667-L670 PolarHBondContact O-N 3.37Å; L670-A673 PolarHBondContact O-N 3.18Å; L670-I674 HydrophobicContact CB-CD1 4.45Å; L670-I674 WeakPolarHBondContact O-CA 3.32Å; L670-I674 WeakPolarHBondContact O-CB 3.4Å; L670-I674 WeakPolarHBondContact O-CD1 3.49Å; L670-I674 WeakPolarHBondContact O-CG1 3.44Å; L670-I674 PolarHBondContact O-N 3.44Å |
| 671 | I | 66.4 | Low | 58.7 | Low | 106 Ų | 106 | 61.4 Ų | 61.4 | 54% | 0.544 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 175.5 | -73.9 | 160.5 | 0 | 0 | 0 | 109.3 | C667 L668 I674 F675 | C667-I671 WeakPolarHBondContact O-CA 3.19Å; C667-I671 WeakPolarHBondContact O-CB 3.27Å; C667-I671 VanDerWaalsContact O-CD1 3.3Å; C667-I671 WeakPolarHBondContact O-CD1 3.22Å; C667-I671 WeakPolarHBondContact O-CG1 3.26Å; C667-I671 PolarHBondContact O-N 2.77Å; L668-I671 CarbonylContact O-C 3.52Å; L668-I671 PolarHBondContact O-N 2.72Å; I671-I674 CarbonylContact O-C 3.56Å; I671-F675 VanDerWaalsContact O-CA 3.27Å; I671-F675 WeakPolarHBondContact O-CA 3.18Å; I671-F675 WeakPolarHBondContact O-CB 3.36Å; I671-F675 PolarHBondContact O-N 2.79Å |
| 672 | V | 56.6 | Low | 57.4 | Low | 32 Ų | 32 | 62 Ų | 62 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.3 | -39.6 | 176 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | F414 L668 F669 F675 I676 | F414-V672 HydrophobicContact CE2-CG1 4.04Å; F414-V672 HydrophobicContact CZ-CG1 3.69Å; L668-V672 HydrophobicContact CD2-CG2 3.95Å; L668-V672 VanDerWaalsContact O-CB 3.29Å; L668-V672 WeakPolarHBondContact O-CB 3.28Å; L668-V672 WeakPolarHBondContact O-CG2 3.44Å; L668-V672 PolarHBondContact O-N 3.43Å; F669-V672 CarbonylContact O-C 3.54Å; F669-V672 PolarHBondContact O-N 3.24Å; V672-F675 CarbonylContact O-C 3.53Å; V672-F675 PolarHBondContact O-N 3.06Å; V672-I676 HydrophobicContact CG1-CD1 3.86Å; V672-I676 HydrophobicContact CG1-CG1 4.44Å; V672-I676 WeakPolarHBondContact O-CB 3.45Å; V672-I676 WeakPolarHBondContact O-CD1 3.32Å; V672-I676 WeakPolarHBondContact O-CG1 3.42Å; V672-I676 PolarHBondContact O-N 3.2Å |
| 673 | A | 54.6 | Low | 55.9 | Low | 32 Ų | 32 | 62.1 Ų | 62.1 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.9 | -46.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F669 L670 F675 I676 F677 | F669-A673 WeakPolarHBondContact O-CB 3.26Å; F669-A673 PolarHBondContact O-N 2.8Å; L670-A673 PolarHBondContact O-N 3.18Å; A673-F675 VanDerWaalsContact C-N 3.28Å; A673-F675 PolarHBondContact O-N 3.32Å; A673-I676 PolarHBondContact O-N 3.46Å; A673-F677 VanDerWaalsContact O-CB 3.3Å; A673-F677 WeakPolarHBondContact O-CB 3.28Å; A673-F677 PolarHBondContact O-N 3.05Å |
| 674 | I | 62.2 | Low | 54.4 | Low | 108 Ų | 108 | 59.6 Ų | 59.6 | 55% | 0.554 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.5 | -32 | 171.2 | -68.8 | 163.2 | 0 | 0 | 0 | 110.1 | L670 I671 F677 Y678 | L670-I674 HydrophobicContact CB-CD1 4.45Å; L670-I674 WeakPolarHBondContact O-CA 3.32Å; L670-I674 WeakPolarHBondContact O-CB 3.4Å; L670-I674 WeakPolarHBondContact O-CD1 3.49Å; L670-I674 WeakPolarHBondContact O-CG1 3.44Å; L670-I674 PolarHBondContact O-N 3.44Å; I671-I674 CarbonylContact O-C 3.56Å; I674-F677 CarbonylContact O-C 3.59Å; I674-F677 PolarHBondContact O-N 3.47Å; I674-Y678 VanDerWaalsContact O-CA 3.3Å; I674-Y678 WeakPolarHBondContact O-CA 3.32Å; I674-Y678 WeakPolarHBondContact O-CB 3.38Å; I674-Y678 PolarHBondContact O-N 3.49Å |
| 675 | F | 53.4 | Low | 52.8 | Low | 121 Ų | 121 | 62.1 Ų | 62.1 | 53% | 0.531 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -77 | -36.1 | 177.6 | 176.9 | -98.4 | 0 | 0 | 0 | 110.3 | I671 V672 A673 Y678 V679 | I671-F675 VanDerWaalsContact O-CA 3.27Å; I671-F675 WeakPolarHBondContact O-CA 3.18Å; I671-F675 WeakPolarHBondContact O-CB 3.36Å; I671-F675 PolarHBondContact O-N 2.79Å; V672-F675 CarbonylContact O-C 3.53Å; V672-F675 PolarHBondContact O-N 3.06Å; A673-F675 VanDerWaalsContact C-N 3.28Å; A673-F675 PolarHBondContact O-N 3.32Å; F675-Y678 CarbonylContact O-C 3.54Å; F675-Y678 PolarHBondContact O-N 3.02Å; F675-V679 HydrophobicContact CD1-CG2 4Å; F675-V679 HydrophobicContact CD2-CG2 4.24Å; F675-V679 HydrophobicContact CE1-CG2 3.59Å; F675-V679 HydrophobicContact CE2-CG2 3.85Å; F675-V679 HydrophobicContact CG-CG2 4.31Å; F675-V679 HydrophobicContact CZ-CG2 3.51Å; F675-V679 WeakPolarHBondContact O-CB 3.48Å; F675-V679 WeakPolarHBondContact O-CG2 3.18Å; F675-V679 PolarHBondContact O-N 3.34Å |
| 676 | I | 50.4 | Low | 51.4 | Low | 33 Ų | 33 | 66.9 Ų | 66.9 | 17% | 0.169 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 168.3 | -71 | 162.9 | 0 | 0 | 0 | 108.2 | F409 F414 V672 A673 Y678 V679 C680 | F409-I676 HydrophobicContact CE1-CG2 4.45Å; F414-I676 HydrophobicContact CE2-CD1 3.72Å; F414-I676 HydrophobicContact CZ-CD1 4.04Å; V672-I676 HydrophobicContact CG1-CD1 3.86Å; V672-I676 HydrophobicContact CG1-CG1 4.44Å; V672-I676 WeakPolarHBondContact O-CB 3.45Å; V672-I676 WeakPolarHBondContact O-CD1 3.32Å; V672-I676 WeakPolarHBondContact O-CG1 3.42Å; V672-I676 PolarHBondContact O-N 3.2Å; A673-I676 PolarHBondContact O-N 3.46Å; I676-Y678 VanDerWaalsContact C-N 3.3Å; I676-Y678 PolarHBondContact O-N 2.95Å; I676-V679 PolarHBondContact O-N 2.6Å; I676-C680 WeakPolarHBondContact O-CB 3.45Å; I676-C680 PolarHBondContact O-N 2.73Å; I676-C680 PolarHBondContact O-SG 3.05Å |
| 677 | F | 50.9 | Low | 49.8 | Very low | 93 Ų | 93 | 70.5 Ų | 70.5 | 41% | 0.408 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 174.1 | -130.8 | -92.9 | 0 | 0 | 0 | 111.1 | F375 A673 I674 C680 F681 | F375-F677 HydrophobicContact CE1-CE2 4.24Å; A673-F677 VanDerWaalsContact O-CB 3.3Å; A673-F677 WeakPolarHBondContact O-CB 3.28Å; A673-F677 PolarHBondContact O-N 3.05Å; I674-F677 CarbonylContact O-C 3.59Å; I674-F677 PolarHBondContact O-N 3.47Å; F677-C680 CarbonylContact O-C 3.39Å; F677-C680 PolarHBondContact O-N 3.01Å; F677-F681 HydrophobicContact CD1-CB 4.47Å; F677-F681 AromaticContact CD1-CD2 3.24Å; F677-F681 HydrophobicContact CD1-CD2 3.24Å; F677-F681 AromaticContact CD1-CE2 3.61Å; F677-F681 HydrophobicContact CD1-CE2 3.61Å; F677-F681 AromaticContact CD1-CG 4Å; F677-F681 HydrophobicContact CD1-CG 4Å; F677-F681 HydrophobicContact CD2-CD2 4.4Å; F677-F681 HydrophobicContact CD2-CE2 4.21Å; F677-F681 AromaticContact CE1-CD2 3.34Å; F677-F681 HydrophobicContact CE1-CD2 3.34Å; F677-F681 HydrophobicContact CE1-CE1 4.48Å; F677-F681 AromaticContact CE1-CE2 3.25Å; F677-F681 HydrophobicContact CE1-CE2 3.25Å; F677-F681 HydrophobicContact CE1-CG 4.03Å; F677-F681 AromaticContact CE1-CZ 3.87Å; F677-F681 HydrophobicContact CE1-CZ 3.87Å; F677-F681 HydrophobicContact CE2-CD2 4.47Å; F677-F681 AromaticContact CE2-CE2 3.9Å; F677-F681 HydrophobicContact CE2-CE2 3.9Å; F677-F681 AromaticContact CG-CD2 3.82Å; F677-F681 HydrophobicContact CG-CD2 3.82Å; F677-F681 HydrophobicContact CG-CE2 4.08Å; F677-F681 AromaticContact CZ-CD2 3.99Å; F677-F681 HydrophobicContact CZ-CD2 3.99Å; F677-F681 AromaticContact CZ-CE2 3.41Å; F677-F681 HydrophobicContact CZ-CE2 3.41Å; F677-F681 VanDerWaalsContact CZ-CE2 3.41Å; F677-F681 AromaticContact CZ-CZ 3.95Å; F677-F681 HydrophobicContact CZ-CZ 3.95Å; F677-F681 WeakPolarHBondContact O-CA 3.15Å; F677-F681 WeakPolarHBondContact O-CB 3.4Å; F677-F681 VanDerWaalsContact O-CD2 3.29Å; F677-F681 WeakPolarHBondContact O-CD2 3.15Å; F677-F681 PolarHBondContact O-N 3.28Å |
| 678 | Y | 50.8 | Low | 48 | Very low | 69 Ų | 69 | 72.2 Ų | 72.2 | 27% | 0.271 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.2 | -59.8 | 178.1 | 177.1 | -89.8 | 0 | 0 | 0 | 106.5 | I674 F675 I676 C680 F681 I682 G683 | I674-Y678 VanDerWaalsContact O-CA 3.3Å; I674-Y678 WeakPolarHBondContact O-CA 3.32Å; I674-Y678 WeakPolarHBondContact O-CB 3.38Å; I674-Y678 PolarHBondContact O-N 3.49Å; F675-Y678 CarbonylContact O-C 3.54Å; F675-Y678 PolarHBondContact O-N 3.02Å; I676-Y678 VanDerWaalsContact C-N 3.3Å; I676-Y678 PolarHBondContact O-N 2.95Å; Y678-C680 PolarHBondContact O-N 2.98Å; Y678-C680 VanDerWaalsContact O-N 3.07Å; Y678-F681 PolarHBondContact O-N 2.69Å; Y678-I682 HydrophobicContact CD2-CB 3.46Å; Y678-I682 VanDerWaalsContact CD2-CB 3.46Å; Y678-I682 HydrophobicContact CD2-CD1 3.77Å; Y678-I682 HydrophobicContact CD2-CG1 4.16Å; Y678-I682 HydrophobicContact CD2-CG2 3.52Å; Y678-I682 HydrophobicContact CE2-CB 3.68Å; Y678-I682 HydrophobicContact CE2-CD1 4.41Å; Y678-I682 HydrophobicContact CE2-CG2 3.17Å; Y678-I682 HydrophobicContact CG-CB 3.97Å; Y678-I682 HydrophobicContact CG-CG2 4.39Å; Y678-I682 CarbonylContact O-C 3.59Å; Y678-I682 VanDerWaalsContact O-CA 3.28Å; Y678-I682 WeakPolarHBondContact O-CA 3.24Å; Y678-I682 PolarHBondContact O-N 3.24Å; Y678-G683 PolarHBondContact O-N 3.29Å |
| 679 | V | 48.4 | Very low | 46.1 | Very low | 54 Ų | 54 | 80.6 Ų | 80.6 | 33% | 0.327 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -51.5 | -37.5 | 175.5 | 173 | 0 | 0 | 0 | 0 | 112.8 | A15 F675 I676 | A15-V679 HydrophobicContact CB-CG1 4.09Å; F675-V679 HydrophobicContact CD1-CG2 4Å; F675-V679 HydrophobicContact CD2-CG2 4.24Å; F675-V679 HydrophobicContact CE1-CG2 3.59Å; F675-V679 HydrophobicContact CE2-CG2 3.85Å; F675-V679 HydrophobicContact CG-CG2 4.31Å; F675-V679 HydrophobicContact CZ-CG2 3.51Å; F675-V679 WeakPolarHBondContact O-CB 3.48Å; F675-V679 WeakPolarHBondContact O-CG2 3.18Å; F675-V679 PolarHBondContact O-N 3.34Å; I676-V679 PolarHBondContact O-N 2.6Å |
| 680 | C | 44.9 | Very low | 44.3 | Very low | 11 Ų | 11 | 86.7 Ų | 86.7 | 7% | 0.074 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -78.6 | -29.5 | 177.9 | -71 | 0 | 0 | 0 | 0 | 114.9 | V12 I676 F677 Y678 | V12-C680 HydrophobicContact CG2-CB 4.49Å; I676-C680 WeakPolarHBondContact O-CB 3.45Å; I676-C680 PolarHBondContact O-N 2.73Å; I676-C680 PolarHBondContact O-SG 3.05Å; F677-C680 CarbonylContact O-C 3.39Å; F677-C680 PolarHBondContact O-N 3.01Å; Y678-C680 PolarHBondContact O-N 2.98Å; Y678-C680 VanDerWaalsContact O-N 3.07Å |
| 681 | F | 46.4 | Very low | 42.6 | Very low | 98 Ų | 98 | 85.7 Ų | 85.7 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -118.9 | -22.6 | -172.7 | -73.7 | -88.9 | 0 | 0 | 0 | 114.5 | F677 Y678 | F677-F681 HydrophobicContact CD1-CB 4.47Å; F677-F681 AromaticContact CD1-CD2 3.24Å; F677-F681 HydrophobicContact CD1-CD2 3.24Å; F677-F681 AromaticContact CD1-CE2 3.61Å; F677-F681 HydrophobicContact CD1-CE2 3.61Å; F677-F681 AromaticContact CD1-CG 4Å; F677-F681 HydrophobicContact CD1-CG 4Å; F677-F681 HydrophobicContact CD2-CD2 4.4Å; F677-F681 HydrophobicContact CD2-CE2 4.21Å; F677-F681 AromaticContact CE1-CD2 3.34Å; F677-F681 HydrophobicContact CE1-CD2 3.34Å; F677-F681 HydrophobicContact CE1-CE1 4.48Å; F677-F681 AromaticContact CE1-CE2 3.25Å; F677-F681 HydrophobicContact CE1-CE2 3.25Å; F677-F681 HydrophobicContact CE1-CG 4.03Å; F677-F681 AromaticContact CE1-CZ 3.87Å; F677-F681 HydrophobicContact CE1-CZ 3.87Å; F677-F681 HydrophobicContact CE2-CD2 4.47Å; F677-F681 AromaticContact CE2-CE2 3.9Å; F677-F681 HydrophobicContact CE2-CE2 3.9Å; F677-F681 AromaticContact CG-CD2 3.82Å; F677-F681 HydrophobicContact CG-CD2 3.82Å; F677-F681 HydrophobicContact CG-CE2 4.08Å; F677-F681 AromaticContact CZ-CD2 3.99Å; F677-F681 HydrophobicContact CZ-CD2 3.99Å; F677-F681 AromaticContact CZ-CE2 3.41Å; F677-F681 HydrophobicContact CZ-CE2 3.41Å; F677-F681 VanDerWaalsContact CZ-CE2 3.41Å; F677-F681 AromaticContact CZ-CZ 3.95Å; F677-F681 HydrophobicContact CZ-CZ 3.95Å; F677-F681 WeakPolarHBondContact O-CA 3.15Å; F677-F681 WeakPolarHBondContact O-CB 3.4Å; F677-F681 VanDerWaalsContact O-CD2 3.29Å; F677-F681 WeakPolarHBondContact O-CD2 3.15Å; F677-F681 PolarHBondContact O-N 3.28Å; Y678-F681 PolarHBondContact O-N 2.69Å |
| 682 | I | 42.8 | Very low | 40.9 | Very low | 67 Ų | 67 | 86.4 Ų | 86.4 | 34% | 0.344 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | -41.4 | -168.8 | -52 | 171 | 0 | 0 | 0 | 112.7 | Y678 G684 R685 | Y678-I682 HydrophobicContact CD2-CB 3.46Å; Y678-I682 VanDerWaalsContact CD2-CB 3.46Å; Y678-I682 HydrophobicContact CD2-CD1 3.77Å; Y678-I682 HydrophobicContact CD2-CG1 4.16Å; Y678-I682 HydrophobicContact CD2-CG2 3.52Å; Y678-I682 HydrophobicContact CE2-CB 3.68Å; Y678-I682 HydrophobicContact CE2-CD1 4.41Å; Y678-I682 HydrophobicContact CE2-CG2 3.17Å; Y678-I682 HydrophobicContact CG-CB 3.97Å; Y678-I682 HydrophobicContact CG-CG2 4.39Å; Y678-I682 CarbonylContact O-C 3.59Å; Y678-I682 VanDerWaalsContact O-CA 3.28Å; Y678-I682 WeakPolarHBondContact O-CA 3.24Å; Y678-I682 PolarHBondContact O-N 3.24Å; I682-G684 PolarHBondContact O-N 3.45Å; I682-G684 VanDerWaalsContact O-N 3.12Å; I682-R685 WeakPolarHBondContact O-CB 3.28Å; I682-R685 PolarHBondContact O-N 3.45Å |
| 683 | G | 31.4 | Very low | 39.4 | Very low | 16 Ų | 16 | 96.4 Ų | 96.4 | 17% | 0.165 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 1.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y678 | Y678-G683 PolarHBondContact O-N 3.29Š|
| 684 | G | 38 | Very low | 37.9 | Very low | 47 Ų | 47 | 102.2 Ų | 102.2 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24 | 157.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I682 N686 | I682-G684 PolarHBondContact O-N 3.45Å; I682-G684 VanDerWaalsContact O-N 3.12Å; G684-N686 PolarHBondContact O-N 2.88Å |
| 685 | R | 36.6 | Very low | 36.3 | Very low | 160 Ų | 160 | 103 Ų | 103 | 60% | 0.604 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -18.8 | -176.7 | -76.1 | -176.1 | 172.5 | 174.5 | -3 | 115.3 | I682 | I682-R685 WeakPolarHBondContact O-CB 3.28Å; I682-R685 PolarHBondContact O-N 3.45Å |
| 686 | N | 29 | Very low | 35.1 | Very low | 110 Ų | 110 | 107 Ų | 107 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 18.1 | -172.6 | -82.8 | -10.3 | 0 | 0 | 0 | 115.7 | G684 S688 | G684-N686 PolarHBondContact O-N 2.88Å; N686-S688 PolarHBondContact O-N 3.01Å |
| 687 | C | 27.7 | Very low | 34 | Very low | 93 Ų | 93 | 115.2 Ų | 115.2 | 63% | 0.628 | 55% | 0.552 | S | S | * | * | trans | -85.8 | 42.4 | 168.7 | -74.5 | 0 | 0 | 0 | 0 | 112.9 | W689 | C687-W689 VanDerWaalsContact C-N 3.33Š| ||
| 688 | S | 25.8 | Very low | 32.7 | Very low | 89 Ų | 89 | 119.8 Ų | 119.8 | 62% | 0.622 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -82.3 | -0.9 | 176.1 | 60.6 | 0 | 0 | 0 | 0 | 114.6 | N686 | N686-S688 PolarHBondContact O-N 3.01Š|
| 689 | W | 25 | Very low | 31.5 | Very low | 242 Ų | 242 | 121.7 Ų | 121.7 | 92% | 0.917 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -93.3 | 14.3 | -177.6 | -93.2 | 68.6 | 0 | 0 | 0 | 116.6 | C687 | C687-W689 VanDerWaalsContact C-N 3.33Š|
| 690 | K | 23.6 | Very low | 30.6 | Very low | 144 Ų | 144 | 123.2 Ų | 123.2 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -140.6 | 47.5 | 174.1 | -72.5 | -167.3 | 174.4 | 179.4 | 0 | 114.6 | C692 | K690-C692 VanDerWaalsContact C-N 3.31Å; K690-C692 PolarHBondContact O-N 3.25Å |
| 691 | S | 28.9 | Very low | 29.8 | Very low | 75 Ų | 75 | 126.9 Ų | 126.9 | 52% | 0.524 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.8 | 43.4 | 176.2 | -163.4 | 0 | 0 | 0 | 0 | 114.6 | W695 | S691-W695 PolarHBondContact O-NE1 2.84Å; S691-W695 PolarHBondContact OG-NE1 3.49Å |
| 692 | C | 31 | Very low | 29.2 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 81% | 0.811 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | -2.4 | 175.5 | -77.9 | 0 | 0 | 0 | 0 | 116.9 | K690 | K690-C692 VanDerWaalsContact C-N 3.31Å; K690-C692 PolarHBondContact O-N 3.25Å |
| 693 | R | 25.5 | Very low | 28.5 | Very low | 243 Ų | 243 | 132 Ų | 132 | 92% | 0.917 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -128.6 | -4.3 | -175.8 | -97.3 | -172.6 | -176.6 | -171.2 | 1.5 | 120 | ||
| 694 | E | 24.5 | Very low | 28.4 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | trans | -118.2 | 24.2 | 177.5 | -72.7 | 178.9 | 176.1 | 0 | 0 | 114.1 | K696 | E694-K696 PolarHBondContact O-N 2.78Š| ||
| 695 | W | 26.9 | Very low | 28.1 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 47% | 0.473 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.5 | 11.2 | 178.9 | -92.1 | 63 | 0 | 0 | 0 | 116.7 | S691 L980 L1001 | S691-W695 PolarHBondContact O-NE1 2.84Å; S691-W695 PolarHBondContact OG-NE1 3.49Å; W695-L980 HydrophobicContact CH2-CD2 3.93Å; W695-L980 HydrophobicContact CZ3-CD2 4.43Å; W695-L1001 HydrophobicContact CH2-CD1 4.33Å; W695-L1001 HydrophobicContact CZ3-CD1 3.8Å; W695-L1001 HydrophobicContact CZ3-CD2 4.21Å |
| 696 | K | 29.3 | Very low | 27.8 | Very low | 203 Ų | 203 | 136.7 Ų | 136.7 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 5.9 | -173.4 | -93.4 | -170.3 | 178.6 | -176.6 | 0 | 117.6 | E694 | E694-K696 PolarHBondContact O-N 2.78Š|
| 697 | R | 26.1 | Very low | 28 | Very low | 207 Ų | 207 | 134.8 Ų | 134.8 | 78% | 0.781 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -133.6 | 3.6 | -173.7 | -81.9 | -168.4 | 178.5 | 179.8 | -1.1 | 120.1 | ||
| 698 | F | 24.5 | Very low | 28.2 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | trans | -132.8 | 81.9 | 178.9 | -74.2 | -79.9 | 0 | 0 | 0 | 112.6 | P700 | F698-P700 WeakPolarHBondContact O-CD 3.47Š| ||
| 699 | S | 25.4 | Very low | 28.8 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | trans | -83.6 | 109.5 | 146.9 | 42.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 700 | P | 28.7 | Very low | 29.2 | Very low | 86 Ų | 86 | 129.5 Ų | 129.5 | 56% | 0.558 | 66% | 0.657 | S | S | * | * | trans | -80 | 143.5 | 176.2 | 31.6 | -30.8 | 0 | 0 | 0 | 110.4 | F698 | F698-P700 WeakPolarHBondContact O-CD 3.47Š| ||
| 701 | P | 28 | Very low | 29.9 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 58% | 0.578 | 67% | 0.666 | S | S | * | * | trans | -75.9 | 142.4 | -176.1 | 28.6 | -32.4 | 0 | 0 | 0 | 112.2 | R3 D703 | R3-P701 PolarHBondContact NH1-O 3.09Å; P701-D703 VanDerWaalsContact C-N 3.29Å; P701-D703 PolarHBondContact O-N 3.33Å | ||
| 702 | V | 33.9 | Very low | 30.4 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 83% | 0.83 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -56.5 | -17.3 | -154.3 | 172 | 0 | 0 | 0 | 0 | 117.2 | ||
| 703 | D | 28.2 | Very low | 30.9 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 72% | 0.717 | 64% | 0.636 | S | S | * | * | trans | -108.2 | 94.4 | -174 | -59.1 | -44.3 | 0 | 0 | 0 | 114 | R3 P701 | R3-D703 PolarHBondContact NH1-O 2.85Å; R3-D703 PolarHBondContact NH2-O 2.87Å; P701-D703 VanDerWaalsContact C-N 3.29Å; P701-D703 PolarHBondContact O-N 3.33Å | ||
| 704 | S | 30.7 | Very low | 32 | Very low | 77 Ų | 77 | 120.8 Ų | 120.8 | 54% | 0.538 | 61% | 0.614 | S | S | . | * | trans | -143.4 | 136.4 | 160.4 | 69 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 705 | P | 30.4 | Very low | 33.1 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 68% | 0.682 | 61% | 0.612 | S | S | * | * | trans | -78 | 133.3 | -166.4 | 29.5 | -33.9 | 0 | 0 | 0 | 112.9 | V707 | P705-V707 PolarHBondContact O-N 2.89Š| ||
| 706 | R | 31.9 | Very low | 34.5 | Very low | 141 Ų | 141 | 115.4 Ų | 115.4 | 53% | 0.532 | 60% | 0.602 | S | S | . | * | trans | -44.4 | 125.7 | -178.2 | -69.9 | 175.8 | 169.1 | 167.6 | -8.4 | 112.5 | K708 E1007 | R706-K708 PolarHBondContact O-N 3.26Å; R706-E1007 WeakPolarHBondContact CD-OE1 3.22Å; R706-E1007 IonicContact CZ-OE1 3.67Å; R706-E1007 IonicContact CZ-OE2 2.83Å; R706-E1007 IonicContact NE-OE1 3.37Å; R706-E1007 PolarHBondContact NE-OE1 2.96Å; R706-E1007 IonicContact NH1-OE1 3.34Å; R706-E1007 PolarHBondContact NH1-OE1 2.9Å; R706-E1007 IonicContact NH1-OE2 2.74Å; R706-E1007 PolarHBondContact NH1-OE2 3.16Å; R706-E1007 IonicContact NH2-OE1 2.86Å | ||
| 707 | V | 33.1 | Very low | 36.3 | Very low | 69 Ų | 69 | 112.9 Ų | 112.9 | 42% | 0.418 | 60% | 0.598 | S | S | . | * | trans | -76.1 | 113.4 | 165 | -170.6 | 0 | 0 | 0 | 0 | 106.7 | P705 G709 M1050 | P705-V707 PolarHBondContact O-N 2.89Å; V707-G709 PolarHBondContact O-N 3.1Å; V707-M1050 HydrophobicContact CB-CE 4.19Å; V707-M1050 VanDerWaalsContact O-CE 3.28Å; V707-M1050 WeakPolarHBondContact O-CE 3.49Å | ||
| 708 | K | 31.3 | Very low | 38.5 | Very low | 180 Ų | 180 | 105 Ų | 105 | 78% | 0.783 | 57% | 0.573 | S | S | * | * | trans | -61.3 | 105.4 | 165.7 | -72.6 | -171.9 | 174.7 | -172.7 | 0 | 107.5 | R706 D710 | R706-K708 PolarHBondContact O-N 3.26Å; K708-D710 PolarHBondContact O-N 2.77Å | ||
| 709 | G | 37.2 | Very low | 41.1 | Very low | 25 Ų | 25 | 99.3 Ų | 99.3 | 26% | 0.258 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -74.4 | 3.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | V707 L711 | V707-G709 PolarHBondContact O-N 3.1Å; G709-L711 PolarHBondContact O-N 3.4Å |
| 710 | D | 34.9 | Very low | 43.7 | Very low | 109 Ų | 109 | 96.8 Ų | 96.8 | 58% | 0.583 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -61 | -21.7 | -168.3 | -57.8 | -21.8 | 0 | 0 | 0 | 114.5 | K708 F712 | K708-D710 PolarHBondContact O-N 2.77Å; D710-F712 PolarHBondContact O-N 2.69Å |
| 711 | L | 37.5 | Very low | 46.1 | Very low | 157 Ų | 157 | 93 Ų | 93 | 82% | 0.822 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -78.7 | -7.5 | -170.8 | -111.6 | 101.8 | 0 | 0 | 0 | 116.6 | G709 | G709-L711 PolarHBondContact O-N 3.4Š|
| 712 | F | 39.7 | Very low | 48.2 | Very low | 127 Ų | 127 | 95.1 Ų | 95.1 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -123 | 10.3 | -175.2 | -71.4 | -80.6 | 0 | 0 | 0 | 114.9 | D710 K1094 | D710-F712 PolarHBondContact O-N 2.69Å; F712-K1094 PolarHBondContact O-N 3.23Å; F712-K1094 VanDerWaalsContact O-N 3.13Å |
| 713 | I | 41.7 | Very low | 49.6 | Very low | 29 Ų | 29 | 92 Ų | 92 | 15% | 0.149 | 50% | 0.498 | C | S | . | . | B | Isolated β-bridge | trans | -105.6 | 127 | -176.2 | -57.2 | 177.3 | 0 | 0 | 0 | 108.9 | D715 L1052 R1053 P1091 | I713-D715 PolarHBondContact O-N 3.05Å; I713-L1052 WeakPolarHBondContact CD1-O 3.4Å; I713-R1053 HydrophobicContact CD1-CB 4.06Å; I713-R1053 HydrophobicContact CD1-CG 4.37Å; I713-P1091 HydrophobicContact CD1-CB 4.43Å; I713-P1091 HydrophobicContact CG2-CB 3.26Å |
| 714 | I | 47.5 | Very low | 51.1 | Low | 85 Ų | 85 | 88 Ų | 88 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | trans | -69.2 | 129.7 | 171.9 | -61.1 | 169.5 | 0 | 0 | 0 | 107.9 | S716 R1053 K1094 | I714-S716 PolarHBondContact O-N 2.76Å; I714-R1053 PolarHBondContact O-NH1 2.88Å; I714-K1094 HydrophobicContact CD1-CB 4.23Å; I714-K1094 HydrophobicContact CD1-CD 4.11Å; I714-K1094 HydrophobicContact CD1-CG 4.04Å; I714-K1094 HydrophobicContact CG1-CB 4.18Å; I714-K1094 HydrophobicContact CG1-CD 4.15Å; I714-K1094 HydrophobicContact CG1-CG 4.36Å | ||
| 715 | D | 48.1 | Very low | 52.5 | Low | 128 Ų | 128 | 86.9 Ų | 86.9 | 68% | 0.684 | 48% | 0.477 | S | S | * | . | trans | -67 | 101.4 | 172.2 | -78.1 | -28.2 | 0 | 0 | 0 | 109.9 | I713 R1053 | I713-D715 PolarHBondContact O-N 3.05Å; D715-R1053 IonicContact OD1-CZ 2.95Å; D715-R1053 IonicContact OD1-NH1 2.77Å; D715-R1053 IonicContact OD1-NH2 3.93Å; D715-R1053 PolarHBondContact OD1-NH2 3.36Å | ||
| 716 | S | 57.2 | Low | 54.2 | Low | 38 Ų | 38 | 84.5 Ų | 84.5 | 27% | 0.266 | 46% | 0.457 | S | S | . | . | trans | -96.4 | 108.6 | 159.2 | 54 | 0 | 0 | 0 | 0 | 107.5 | I714 P1089 | I714-S716 PolarHBondContact O-N 2.76Å; S716-P1089 WeakPolarHBondContact OG-CG 3.37Å | ||
| 717 | L | 66.1 | Low | 55.8 | Low | 151 Ų | 151 | 81.8 Ų | 81.8 | 79% | 0.791 | 45% | 0.45 | S | S | * | . | trans | -61.3 | 143 | 174.2 | -70.5 | 161.8 | 0 | 0 | 0 | 109.8 | L719 | L717-L719 PolarHBondContact O-N 3.36Š| ||
| 718 | P | 71.7 | Confident | 57.5 | Low | 40 Ų | 40 | 78.6 Ų | 78.6 | 26% | 0.26 | 43% | 0.43 | S | S | . | . | trans | -60 | 130.7 | 171.7 | 27 | -33.6 | 0 | 0 | 0 | 109.5 | A720 R1087 V1088 | P718-A720 PolarHBondContact O-N 3.41Å; P718-R1087 WeakPolarHBondContact CA-O 3.26Å; P718-V1088 HydrophobicContact CB-CG2 4.11Å | ||
| 719 | L | 79.3 | Confident | 59.4 | Low | 70 Ų | 70 | 73.9 Ų | 73.9 | 37% | 0.366 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 109.8 | 174.8 | -171 | 96.2 | 0 | 0 | 0 | 108 | L717 F721 H1086 R1087 | L717-L719 PolarHBondContact O-N 3.36Å; L719-F721 HydrophobicContact CD2-CE2 4.35Å; L719-H1086 WeakPolarHBondContact O-CA 3.32Å; L719-R1087 HydrophobicContact CB-CB 4.36Å; L719-R1087 PolarHBondContact N-O 3.17Å; L719-R1087 PolarHBondContact O-N 3.08Å |
| 720 | A | 79.9 | Confident | 61.3 | Low | 56 Ų | 56 | 74.6 Ų | 74.6 | 46% | 0.463 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P718 V1084 | P718-A720 PolarHBondContact O-N 3.41Å; A720-V1084 HydrophobicContact CB-CG1 3.91Å |
| 721 | F | 80.5 | Confident | 63.6 | Low | 6 Ų | 6 | 69.7 Ų | 69.7 | 3% | 0.026 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 162.9 | 171.6 | -71 | -127.7 | 0 | 0 | 0 | 108 | L719 S723 L739 W751 I1085 R1087 | L719-F721 HydrophobicContact CD2-CE2 4.35Å; F721-S723 PolarHBondContact O-N 3.45Å; F721-L739 HydrophobicContact CE1-CD2 4.18Å; F721-L739 HydrophobicContact CZ-CD2 4.34Å; F721-W751 HydrophobicContact CB-CE3 4.28Å; F721-W751 HydrophobicContact CB-CZ3 4.27Å; F721-W751 HydrophobicContact CD1-CB 3.77Å; F721-W751 AromaticContact CD1-CD2 3.75Å; F721-W751 HydrophobicContact CD1-CD2 3.75Å; F721-W751 AromaticContact CD1-CE3 3.62Å; F721-W751 HydrophobicContact CD1-CE3 3.62Å; F721-W751 AromaticContact CD1-CG 3.84Å; F721-W751 HydrophobicContact CD1-CG 3.84Å; F721-W751 HydrophobicContact CD1-CZ3 4.43Å; F721-W751 HydrophobicContact CE1-CB 3.58Å; F721-W751 HydrophobicContact CE1-CD2 4.47Å; F721-W751 HydrophobicContact CE1-CG 4.11Å; F721-W751 HydrophobicContact CG-CE3 4.44Å; F721-I1085 HydrophobicContact CB-CB 4.01Å; F721-I1085 HydrophobicContact CB-CG2 4.49Å; F721-I1085 HydrophobicContact CD1-CG2 4.33Å; F721-I1085 HydrophobicContact CD2-CB 4.18Å; F721-I1085 HydrophobicContact CD2-CG2 3.81Å; F721-I1085 VanDerWaalsContact CD2-O 3.27Å; F721-I1085 WeakPolarHBondContact CD2-O 3.34Å; F721-I1085 HydrophobicContact CE2-CG2 4.1Å; F721-I1085 HydrophobicContact CG-CB 4.03Å; F721-I1085 HydrophobicContact CG-CG2 3.96Å; F721-I1085 HydrophobicContact CZ-CG2 4.48Å; F721-I1085 PolarHBondContact N-O 3.29Å; F721-R1087 HydrophobicContact CE2-CB 3.55Å; F721-R1087 HydrophobicContact CZ-CB 4.22Å |
| 722 | E | 70.9 | Confident | 65.8 | Low | 133 Ų | 133 | 64.5 Ų | 64.5 | 62% | 0.621 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 116.5 | 175.8 | -164.6 | 173.4 | -178.8 | 0 | 0 | 109.9 | L724 W751 | E722-L724 PolarHBondContact O-N 3.46Å; E722-W751 HydrophobicContact CB-CH2 4.45Å; E722-W751 HydrophobicContact CB-CZ3 4.13Å; E722-W751 WeakPolarHBondContact O-CH2 3.42Å |
| 723 | S | 63.5 | Low | 67.9 | Low | 73 Ų | 73 | 60 Ų | 60 | 51% | 0.51 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 118.2 | 178 | 60.5 | 0 | 0 | 0 | 0 | 109 | F721 G725 | F721-S723 PolarHBondContact O-N 3.45Å; S723-G725 PolarHBondContact O-N 3.23Å |
| 724 | L | 61 | Low | 69.5 | Low | 49 Ų | 49 | 59.5 Ų | 59.5 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | trans | -79.9 | -5.2 | 173.1 | -66.3 | 172.8 | 0 | 0 | 0 | 112.6 | E722 E726 V749 W751 | E722-L724 PolarHBondContact O-N 3.46Å; L724-E726 VanDerWaalsContact C-N 3.35Å; L724-E726 HydrophobicContact CB-CG 4.43Å; L724-V749 HydrophobicContact CD1-CG2 3.76Å; L724-W751 HydrophobicContact CD1-CH2 4Å; L724-W751 HydrophobicContact CD1-CZ2 3.82Å; L724-W751 HydrophobicContact CG-CH2 4.04Å; L724-W751 HydrophobicContact CG-CZ2 4.28Å | ||
| 725 | G | 59.6 | Low | 70.9 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 55% | 0.546 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 76.4 | 21.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S723 | S723-G725 PolarHBondContact O-N 3.23Š|
| 726 | E | 64.8 | Low | 72.2 | Confident | 56 Ų | 56 | 58 Ų | 58 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -127.1 | 142.7 | -172.4 | -59.1 | -63.1 | 166.5 | 0 | 0 | 110.5 | L724 Y728 | L724-E726 VanDerWaalsContact C-N 3.35Å; L724-E726 HydrophobicContact CB-CG 4.43Å; E726-Y728 PolarHBondContact O-N 2.81Å |
| 727 | E | 67.5 | Low | 73.3 | Confident | 83 Ų | 83 | 59 Ų | 59 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | trans | -72.9 | 115.9 | -179 | -166.1 | -178.4 | 177.1 | 0 | 0 | 110.6 | Q729 S743 S744 R1067 D1083 | E727-Q729 PolarHBondContact O-N 3.33Å; E727-S743 CarbonylContact O-C 3.53Å; E727-S743 WeakPolarHBondContact O-CA 3.3Å; E727-S744 PolarHBondContact O-N 3.46Å; E727-R1067 IonicContact OE1-CZ 3.44Å; E727-R1067 IonicContact OE1-NH1 3.99Å; E727-R1067 PolarHBondContact OE1-NH1 2.75Å; E727-R1067 IonicContact OE1-NH2 3.28Å; E727-R1067 PolarHBondContact OE1-NH2 3.03Å; E727-D1083 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 728 | Y | 68.7 | Low | 74.2 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 115.2 | 177 | -62 | -74 | 0 | 0 | 0 | 111.1 | E726 W751 V1080 D1083 I1085 | E726-Y728 PolarHBondContact O-N 2.81Å; Y728-W751 HydrophobicContact CE1-CZ2 4.31Å; Y728-W751 VanDerWaalsContact OH-CZ2 3.28Å; Y728-W751 WeakPolarHBondContact OH-CZ2 3.47Å; Y728-V1080 HydrophobicContact CD2-CG1 4.44Å; Y728-D1083 WeakPolarHBondContact CE2-O 3.5Å; Y728-I1085 HydrophobicContact CD1-CD1 4.23Å; Y728-I1085 HydrophobicContact CD2-CD1 4.19Å; Y728-I1085 HydrophobicContact CD2-CG1 3.82Å; Y728-I1085 HydrophobicContact CE1-CD1 4.05Å; Y728-I1085 HydrophobicContact CE2-CD1 3.98Å; Y728-I1085 HydrophobicContact CE2-CG1 3.82Å; Y728-I1085 HydrophobicContact CG-CD1 4.3Å; Y728-I1085 HydrophobicContact CG-CG1 4.27Å |
| 729 | Q | 70.5 | Confident | 74.8 | Confident | 81 Ų | 81 | 51.8 Ų | 51.8 | 38% | 0.379 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -39 | -179.9 | -71.1 | -170.4 | -11.7 | 0 | 0 | 113 | E727 L742 | E727-Q729 PolarHBondContact O-N 3.33Å; Q729-L742 PolarHBondContact N-O 2.79Å |
| 730 | M | 75.9 | Confident | 75 | Confident | 40 Ų | 40 | 48.4 Ų | 48.4 | 20% | 0.197 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 141.8 | -175.9 | -62.8 | -175.3 | -175.2 | 0 | 0 | 112.2 | S741 L742 V797 W798 M800 | M730-S741 WeakPolarHBondContact O-CA 3.19Å; M730-L742 HydrophobicContact CB-CB 4.31Å; M730-L742 PolarHBondContact N-O 3.08Å; M730-L742 PolarHBondContact O-N 3.33Å; M730-V797 HydrophobicContact CE-CG1 4.27Å; M730-V797 WeakPolarHBondContact CE-O 3.4Å; M730-V797 HydrophobicContact SD-CG1 4Å; M730-W798 WeakPolarHBondContact CE-O 3.45Å; M730-M800 HydrophobicContact CB-CE 3.83Å; M730-M800 HydrophobicContact SD-CB 4.04Å |
| 731 | L | 84.3 | Confident | 75.2 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.4 | 177 | -159 | 71.5 | 0 | 0 | 0 | 110.9 | L739 L740 C1068 V1078 V1080 I1085 | L731-L739 HydrophobicContact CD1-CD1 4.1Å; L731-L739 HydrophobicContact CD1-CD2 3.75Å; L731-L739 HydrophobicContact CD1-CG 3.81Å; L731-L739 HydrophobicContact CD2-CD1 4.02Å; L731-L739 HydrophobicContact CD2-CD2 4.22Å; L731-L739 HydrophobicContact CD2-CG 4.48Å; L731-L739 HydrophobicContact CG-CD1 3.79Å; L731-L739 HydrophobicContact CG-CD2 4.23Å; L731-L739 HydrophobicContact CG-CG 4.1Å; L731-L740 WeakPolarHBondContact CA-O 3.28Å; L731-C1068 HydrophobicContact CB-CB 3.73Å; L731-C1068 HydrophobicContact CD2-CB 4.47Å; L731-V1078 HydrophobicContact CD2-CB 4.15Å; L731-V1078 HydrophobicContact CD2-CG1 3.66Å; L731-V1080 HydrophobicContact CD2-CG2 4.41Å; L731-I1085 HydrophobicContact CD1-CD1 4.08Å; L731-I1085 HydrophobicContact CD1-CG1 4.48Å |
| 732 | H | 84.1 | Confident | 75.4 | Confident | 47 Ų | 47 | 45.5 Ų | 45.5 | 22% | 0.218 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 132.7 | 179.4 | -167.2 | 73.6 | 0 | 0 | 0 | 111 | L740 M800 T801 G802 | H732-L740 HydrophobicContact CB-CB 4.41Å; H732-L740 PolarHBondContact N-O 2.77Å; H732-L740 WeakPolarHBondContact O-CB 3.32Å; H732-L740 PolarHBondContact O-N 2.85Å; H732-M800 HydrophobicContact CB-CE 3.81Å; H732-T801 PolarHBondContact NE2-OG1 3.43Å; H732-G802 PolarHBondContact CD2-N 3.42Å; H732-G802 PolarHBondContact NE2-N 2.9Å; H732-G802 VanDerWaalsContact NE2-N 3.13Å; H732-G802 PolarHBondContact NE2-O 3.27Å |
| 733 | S | 83.4 | Confident | 75.7 | Confident | 34 Ų | 34 | 39.3 Ų | 39.3 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 123.3 | 171.4 | 175.6 | 0 | 0 | 0 | 0 | 108.8 | N735 R1071 | S733-N735 PolarHBondContact OG-O 3Å; S733-N735 VanDerWaalsContact OG-O 3.04Å; S733-R1071 WeakPolarHBondContact CB-O 3.44Å |
| 734 | L | 76 | Confident | 76 | Confident | 17 Ų | 17 | 36.6 Ų | 36.6 | 9% | 0.089 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -46.5 | 176.1 | -68.5 | 172.3 | 0 | 0 | 0 | 110.8 | L738 L740 I750 V807 | L734-L738 HydrophobicContact CB-CB 4.15Å; L734-L738 HydrophobicContact CD1-CB 4.39Å; L734-L738 PolarHBondContact N-O 3.47Å; L734-L740 HydrophobicContact CD1-CB 4.12Å; L734-L740 HydrophobicContact CD2-CB 4.35Å; L734-L740 HydrophobicContact CD2-CD2 4.32Å; L734-L740 HydrophobicContact CG-CB 3.99Å; L734-I750 HydrophobicContact CD1-CG1 4.46Å; L734-I750 HydrophobicContact CD1-CG2 4.33Å; L734-V807 HydrophobicContact CD2-CG2 4.38Å |
| 735 | N | 75.2 | Confident | 76.3 | Confident | 79 Ų | 79 | 36.3 Ų | 36.3 | 42% | 0.422 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 175.5 | -178.1 | -69.2 | -22.4 | 0 | 0 | 0 | 108.2 | S733 N737 L738 | S733-N735 PolarHBondContact OG-O 3Å; S733-N735 VanDerWaalsContact OG-O 3.04Å; N735-N737 PolarHBondContact O-N 2.83Å; N735-L738 HydrophobicContact CB-CB 4.47Å; N735-L738 PolarHBondContact N-O 3.27Å; N735-L738 PolarHBondContact O-N 2.55Å |
| 736 | D | 75.5 | Confident | 76.9 | Confident | 104 Ų | 104 | 34.7 Ų | 34.7 | 56% | 0.556 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -24 | 177.6 | -67.7 | -26.9 | 0 | 0 | 0 | 114.9 | L1072 G1073 | D736-L1072 WeakPolarHBondContact O-CD1 3.3Å; D736-G1073 PolarHBondContact O-N 2.74Å |
| 737 | N | 82 | Confident | 77.4 | Confident | 59 Ų | 59 | 34.6 Ų | 34.6 | 32% | 0.316 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -13.5 | -177.8 | -63.4 | -26.8 | 0 | 0 | 0 | 114 | N735 G753 R754 | N735-N737 PolarHBondContact O-N 2.83Å; N737-G753 WeakPolarHBondContact O-CA 3.26Å; N737-G753 PolarHBondContact O-N 2.96Å; N737-R754 VanDerWaalsContact CG-NE 3.32Å; N737-R754 PolarHBondContact ND2-NE 3.11Å; N737-R754 PolarHBondContact ND2-NH2 3.24Å; N737-R754 PolarHBondContact OD1-NE 3.2Å; N737-R754 PolarHBondContact OD1-NH2 2.82Å |
| 738 | L | 83.3 | Confident | 77.9 | Confident | 38 Ų | 38 | 30.7 Ų | 30.7 | 20% | 0.199 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.9 | -172.2 | -67.1 | 175.7 | 0 | 0 | 0 | 110.3 | L734 N735 I750 W751 E759 | L734-L738 HydrophobicContact CB-CB 4.15Å; L734-L738 HydrophobicContact CD1-CB 4.39Å; L734-L738 PolarHBondContact N-O 3.47Å; N735-L738 HydrophobicContact CB-CB 4.47Å; N735-L738 PolarHBondContact N-O 3.27Å; N735-L738 PolarHBondContact O-N 2.55Å; L738-I750 HydrophobicContact CB-CG2 4.49Å; L738-I750 HydrophobicContact CD2-CG2 4.12Å; L738-W751 WeakPolarHBondContact CA-O 3.36Å; L738-E759 VanDerWaalsContact CD2-OE2 3.27Å; L738-E759 WeakPolarHBondContact CD2-OE2 3.49Å |
| 739 | L | 84.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.2 | -177 | -175.6 | 78.5 | 0 | 0 | 0 | 109 | F721 L731 I750 W751 V1078 I1085 | F721-L739 HydrophobicContact CE1-CD2 4.18Å; F721-L739 HydrophobicContact CZ-CD2 4.34Å; L731-L739 HydrophobicContact CD1-CD1 4.1Å; L731-L739 HydrophobicContact CD1-CD2 3.75Å; L731-L739 HydrophobicContact CD1-CG 3.81Å; L731-L739 HydrophobicContact CD2-CD1 4.02Å; L731-L739 HydrophobicContact CD2-CD2 4.22Å; L731-L739 HydrophobicContact CD2-CG 4.48Å; L731-L739 HydrophobicContact CG-CD1 3.79Å; L731-L739 HydrophobicContact CG-CD2 4.23Å; L731-L739 HydrophobicContact CG-CG 4.1Å; L739-I750 CarbonylContact O-C 3.52Å; L739-I750 WeakPolarHBondContact O-CA 3.34Å; L739-W751 HydrophobicContact CB-CB 4.23Å; L739-W751 PolarHBondContact N-O 3Å; L739-W751 PolarHBondContact O-N 2.88Å; L739-V1078 HydrophobicContact CD2-CB 4.47Å; L739-V1078 HydrophobicContact CD2-CG1 3.77Å; L739-V1078 HydrophobicContact CD2-CG2 4.41Å; L739-I1085 HydrophobicContact CD2-CG2 3.87Å |
| 740 | L | 84.2 | Confident | 79 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.5 | 177.1 | -174.6 | 71.9 | 0 | 0 | 0 | 109.1 | L731 H732 L734 L748 I750 M800 V807 | L731-L740 WeakPolarHBondContact CA-O 3.28Å; H732-L740 HydrophobicContact CB-CB 4.41Å; H732-L740 PolarHBondContact N-O 2.77Å; H732-L740 WeakPolarHBondContact O-CB 3.32Å; H732-L740 PolarHBondContact O-N 2.85Å; L734-L740 HydrophobicContact CD1-CB 4.12Å; L734-L740 HydrophobicContact CD2-CB 4.35Å; L734-L740 HydrophobicContact CD2-CD2 4.32Å; L734-L740 HydrophobicContact CG-CB 3.99Å; L740-L748 HydrophobicContact CD1-CD1 3.65Å; L740-L748 HydrophobicContact CD1-CD2 3.75Å; L740-L748 HydrophobicContact CD1-CG 3.6Å; L740-L748 HydrophobicContact CD2-CD1 4.27Å; L740-L748 HydrophobicContact CG-CD1 3.89Å; L740-L748 HydrophobicContact CG-CG 4.4Å; L740-I750 HydrophobicContact CD1-CG1 3.76Å; L740-M800 HydrophobicContact CD2-CE 3.92Å; L740-M800 HydrophobicContact CD2-CG 3.87Å; L740-M800 HydrophobicContact CD2-SD 3.39Å; L740-M800 WeakPolarHBondContact CD2-SD 3.41Å; L740-M800 HydrophobicContact CG-CE 4.07Å; L740-M800 HydrophobicContact CG-SD 3.87Å; L740-V807 HydrophobicContact CD1-CG2 4.27Å; L740-V807 HydrophobicContact CD2-CB 4.34Å; L740-V807 HydrophobicContact CD2-CG1 3.47Å; L740-V807 VanDerWaalsContact CD2-CG1 3.47Å; L740-V807 HydrophobicContact CD2-CG2 3.88Å |
| 741 | S | 84.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 142.8 | 172.1 | 72 | 0 | 0 | 0 | 0 | 111 | M730 V749 W751 | M730-S741 WeakPolarHBondContact O-CA 3.19Å; S741-V749 PolarHBondContact N-O 2.75Å; S741-V749 PolarHBondContact O-N 3.18Å; S741-W751 PolarHBondContact OG-NE1 2.98Å |
| 742 | L | 83.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.8 | 169.5 | 179.7 | 70.2 | 0 | 0 | 0 | 109.1 | Q729 M730 L748 L764 V797 M800 | Q729-L742 PolarHBondContact N-O 2.79Å; M730-L742 HydrophobicContact CB-CB 4.31Å; M730-L742 PolarHBondContact N-O 3.08Å; M730-L742 PolarHBondContact O-N 3.33Å; L742-L748 HydrophobicContact CB-CD1 4.28Å; L742-L748 HydrophobicContact CD1-CD1 4.14Å; L742-L764 HydrophobicContact CD1-CD1 3.73Å; L742-V797 HydrophobicContact CD2-CB 3.57Å; L742-V797 HydrophobicContact CD2-CG1 3.62Å; L742-V797 HydrophobicContact CD2-CG2 3.68Å; L742-M800 HydrophobicContact CB-CE 4.35Å; L742-M800 HydrophobicContact CB-SD 4.09Å |
| 743 | S | 78.8 | Confident | 79.2 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 163.8 | 172.9 | 72.5 | 0 | 0 | 0 | 0 | 112.5 | E727 D745 C746 R747 | E727-S743 CarbonylContact O-C 3.53Å; E727-S743 WeakPolarHBondContact O-CA 3.3Å; S743-D745 PolarHBondContact O-N 2.9Å; S743-D745 PolarHBondContact OG-N 3.11Å; S743-C746 WeakPolarHBondContact O-CA 3.2Å; S743-C746 PolarHBondContact O-N 3.16Å; S743-R747 PolarHBondContact N-O 3.46Å; S743-R747 WeakPolarHBondContact OG-CB 3.05Å; S743-R747 PolarHBondContact OG-N 3.23Å; S743-R747 VanDerWaalsContact OG-N 3.14Å |
| 744 | S | 69.5 | Low | 79 | Confident | 16 Ų | 16 | 30.3 Ų | 30.3 | 11% | 0.112 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | -38.8 | 170.5 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | E727 C746 | E727-S744 PolarHBondContact O-N 3.46Å; S744-C746 PolarHBondContact O-N 2.88Å; S744-C746 VanDerWaalsContact O-N 3.11Å |
| 745 | D | 67.7 | Low | 79.1 | Confident | 43 Ų | 43 | 33 Ų | 33 | 23% | 0.23 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 15.5 | -179.2 | -64.1 | 9.7 | 0 | 0 | 0 | 112.9 | S743 R747 W763 | S743-D745 PolarHBondContact O-N 2.9Å; S743-D745 PolarHBondContact OG-N 3.11Å; D745-R747 PolarHBondContact O-N 3.39Å; D745-W763 HydrophobicContact CB-CH2 4.23Å; D745-W763 HydrophobicContact CB-CZ3 3.65Å; D745-W763 WeakPolarHBondContact O-CZ3 3.03Å |
| 746 | C | 71.4 | Confident | 79.4 | Confident | 19 Ų | 19 | 29.5 Ų | 29.5 | 13% | 0.128 | 15% | 0.148 | C | C | . | . | trans | 58.5 | 28.9 | -178.4 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | S743 S744 L764 | S743-C746 WeakPolarHBondContact O-CA 3.2Å; S743-C746 PolarHBondContact O-N 3.16Å; S744-C746 PolarHBondContact O-N 2.88Å; S744-C746 VanDerWaalsContact O-N 3.11Å; C746-L764 HydrophobicContact CB-CB 4.21Å; C746-L764 WeakPolarHBondContact O-CD1 3.44Å; C746-L764 PolarHBondContact O-N 2.76Å; C746-L764 VanDerWaalsContact O-N 3.07Å | ||
| 747 | R | 74.1 | Confident | 79.6 | Confident | 54 Ų | 54 | 30.4 Ų | 30.4 | 20% | 0.204 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 122.6 | 170.1 | -165.7 | 178.9 | 177.2 | -178.6 | -4.1 | 108.6 | S743 D745 V749 S761 W763 | S743-R747 PolarHBondContact N-O 3.46Å; S743-R747 WeakPolarHBondContact OG-CB 3.05Å; S743-R747 PolarHBondContact OG-N 3.23Å; S743-R747 VanDerWaalsContact OG-N 3.14Å; D745-R747 PolarHBondContact O-N 3.39Å; R747-V749 HydrophobicContact CG-CG2 4.17Å; R747-S761 PolarHBondContact NH2-OG 2.87Å; R747-S761 VanDerWaalsContact NH2-OG 3.11Å; R747-W763 HydrophobicContact CB-CD2 4.29Å; R747-W763 HydrophobicContact CB-CE3 3.89Å; R747-W763 HydrophobicContact CB-CH2 4.21Å; R747-W763 HydrophobicContact CB-CZ3 3.84Å; R747-W763 HydrophobicContact CG-CD2 4.17Å; R747-W763 HydrophobicContact CG-CE3 4.27Å; R747-W763 HydrophobicContact CG-CH2 4.45Å; R747-W763 HydrophobicContact CG-CZ2 4.33Å; R747-W763 HydrophobicContact CG-CZ3 4.41Å |
| 748 | L | 79.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129 | 174.8 | -162.5 | 72.5 | 0 | 0 | 0 | 109.4 | L740 L742 S761 F762 L764 M800 V807 F809 M821 | L740-L748 HydrophobicContact CD1-CD1 3.65Å; L740-L748 HydrophobicContact CD1-CD2 3.75Å; L740-L748 HydrophobicContact CD1-CG 3.6Å; L740-L748 HydrophobicContact CD2-CD1 4.27Å; L740-L748 HydrophobicContact CG-CD1 3.89Å; L740-L748 HydrophobicContact CG-CG 4.4Å; L742-L748 HydrophobicContact CB-CD1 4.28Å; L742-L748 HydrophobicContact CD1-CD1 4.14Å; L748-S761 WeakPolarHBondContact O-CA 3.36Å; L748-F762 HydrophobicContact CB-CD1 4.29Å; L748-F762 HydrophobicContact CB-CE1 3.78Å; L748-F762 HydrophobicContact CB-CE2 4.29Å; L748-F762 HydrophobicContact CB-CZ 3.84Å; L748-F762 HydrophobicContact CD2-CE1 3.4Å; L748-F762 VanDerWaalsContact CD2-CE1 3.4Å; L748-F762 HydrophobicContact CD2-CE2 4.18Å; L748-F762 HydrophobicContact CD2-CZ 3.17Å; L748-F762 HydrophobicContact CG-CE1 4.01Å; L748-F762 HydrophobicContact CG-CZ 4.08Å; L748-F762 PolarHBondContact N-O 2.92Å; L748-F762 PolarHBondContact O-N 2.8Å; L748-L764 HydrophobicContact CB-CD1 4.32Å; L748-M800 HydrophobicContact CD1-SD 3.91Å; L748-V807 HydrophobicContact CD2-CG1 4.27Å; L748-F809 HydrophobicContact CD1-CE1 3.94Å; L748-F809 HydrophobicContact CD1-CZ 3.64Å; L748-F809 HydrophobicContact CD2-CE2 4.35Å; L748-F809 HydrophobicContact CD2-CZ 3.7Å; L748-F809 HydrophobicContact CG-CZ 4.28Å; L748-M821 HydrophobicContact CD2-SD 4.35Å |
| 749 | V | 81.1 | Confident | 79 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 127.2 | 179.2 | -169.3 | 0 | 0 | 0 | 0 | 109.6 | L724 S741 R747 W751 A758 Y760 | L724-V749 HydrophobicContact CD1-CG2 3.76Å; S741-V749 PolarHBondContact N-O 2.75Å; S741-V749 PolarHBondContact O-N 3.18Å; R747-V749 HydrophobicContact CG-CG2 4.17Å; V749-W751 HydrophobicContact CB-CZ2 4.14Å; V749-W751 HydrophobicContact CG1-CD2 3.91Å; V749-W751 VanDerWaalsContact CG1-CE2 3.45Å; V749-W751 HydrophobicContact CG1-CE3 4.49Å; V749-W751 HydrophobicContact CG1-CG 4.32Å; V749-W751 HydrophobicContact CG1-CH2 4.3Å; V749-W751 HydrophobicContact CG1-CZ2 3.66Å; V749-A758 HydrophobicContact CG1-CB 3.59Å; V749-Y760 WeakPolarHBondContact CA-O 3.47Å |
| 750 | I | 81.9 | Confident | 78.6 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 116.1 | 168.3 | -58.7 | 175.3 | 0 | 0 | 0 | 106.7 | L734 L738 L739 L740 A758 E759 Y760 M821 | L734-I750 HydrophobicContact CD1-CG1 4.46Å; L734-I750 HydrophobicContact CD1-CG2 4.33Å; L738-I750 HydrophobicContact CB-CG2 4.49Å; L738-I750 HydrophobicContact CD2-CG2 4.12Å; L739-I750 CarbonylContact O-C 3.52Å; L739-I750 WeakPolarHBondContact O-CA 3.34Å; L740-I750 HydrophobicContact CD1-CG1 3.76Å; I750-A758 CarbonylContact O-C 3.58Å; I750-E759 PolarHBondContact O-N 3.01Å; I750-Y760 HydrophobicContact CD1-CD2 4.38Å; I750-Y760 PolarHBondContact N-O 3.36Å; I750-Y760 PolarHBondContact O-N 3.4Å; I750-M821 HydrophobicContact CD1-CB 4.02Å; I750-M821 HydrophobicContact CD1-CE 4.01Å; I750-M821 HydrophobicContact CD1-CG 3.9Å; I750-M821 HydrophobicContact CD1-SD 4.47Å |
| 751 | W | 85 | Confident | 78.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138.4 | 175.8 | -53.7 | 88.6 | 0 | 0 | 0 | 110.5 | F721 E722 L724 Y728 L738 L739 S741 V749 G753 Q757 A758 I1085 | F721-W751 HydrophobicContact CB-CE3 4.28Å; F721-W751 HydrophobicContact CB-CZ3 4.27Å; F721-W751 HydrophobicContact CD1-CB 3.77Å; F721-W751 AromaticContact CD1-CD2 3.75Å; F721-W751 HydrophobicContact CD1-CD2 3.75Å; F721-W751 AromaticContact CD1-CE3 3.62Å; F721-W751 HydrophobicContact CD1-CE3 3.62Å; F721-W751 AromaticContact CD1-CG 3.84Å; F721-W751 HydrophobicContact CD1-CG 3.84Å; F721-W751 HydrophobicContact CD1-CZ3 4.43Å; F721-W751 HydrophobicContact CE1-CB 3.58Å; F721-W751 HydrophobicContact CE1-CD2 4.47Å; F721-W751 HydrophobicContact CE1-CG 4.11Å; F721-W751 HydrophobicContact CG-CE3 4.44Å; E722-W751 HydrophobicContact CB-CH2 4.45Å; E722-W751 HydrophobicContact CB-CZ3 4.13Å; E722-W751 WeakPolarHBondContact O-CH2 3.42Å; L724-W751 HydrophobicContact CD1-CH2 4Å; L724-W751 HydrophobicContact CD1-CZ2 3.82Å; L724-W751 HydrophobicContact CG-CH2 4.04Å; L724-W751 HydrophobicContact CG-CZ2 4.28Å; Y728-W751 HydrophobicContact CE1-CZ2 4.31Å; Y728-W751 VanDerWaalsContact OH-CZ2 3.28Å; Y728-W751 WeakPolarHBondContact OH-CZ2 3.47Å; L738-W751 WeakPolarHBondContact CA-O 3.36Å; L739-W751 HydrophobicContact CB-CB 4.23Å; L739-W751 PolarHBondContact N-O 3Å; L739-W751 PolarHBondContact O-N 2.88Å; S741-W751 PolarHBondContact OG-NE1 2.98Å; V749-W751 HydrophobicContact CB-CZ2 4.14Å; V749-W751 HydrophobicContact CG1-CD2 3.91Å; V749-W751 VanDerWaalsContact CG1-CE2 3.45Å; V749-W751 HydrophobicContact CG1-CE3 4.49Å; V749-W751 HydrophobicContact CG1-CG 4.32Å; V749-W751 HydrophobicContact CG1-CH2 4.3Å; V749-W751 HydrophobicContact CG1-CZ2 3.66Å; W751-G753 PolarHBondContact O-N 3.3Å; W751-Q757 WeakPolarHBondContact CA-O 3.36Å; W751-A758 HydrophobicContact CE3-CB 3.95Å; W751-A758 HydrophobicContact CH2-CB 4.3Å; W751-A758 HydrophobicContact CZ3-CB 3.85Å; W751-I1085 HydrophobicContact CZ2-CD1 4.3Å |
| 752 | N | 82.8 | Confident | 77.6 | Confident | 31 Ų | 31 | 42.3 Ų | 42.3 | 17% | 0.166 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 105.4 | 160.4 | -169.1 | -38.4 | 0 | 0 | 0 | 108.4 | R754 T755 G756 Q757 E759 | N752-R754 PolarHBondContact O-N 3.38Å; N752-R754 VanDerWaalsContact O-N 3.09Å; N752-R754 WeakPolarHBondContact OD1-CB 3.36Å; N752-R754 PolarHBondContact OD1-N 2.83Å; N752-T755 WeakPolarHBondContact CB-OG1 3.37Å; N752-T755 PolarHBondContact O-N 3.26Å; N752-G756 WeakPolarHBondContact O-CA 3.49Å; N752-G756 PolarHBondContact O-N 3.34Å; N752-Q757 PolarHBondContact N-O 2.72Å; N752-E759 HydrophobicContact CB-CG 3.88Å; N752-E759 WeakPolarHBondContact CB-OE1 3.37Å; N752-E759 PolarHBondContact ND2-OE1 2.83Å |
| 753 | G | 79.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -19.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N737 W751 R1087 | N737-G753 WeakPolarHBondContact O-CA 3.26Å; N737-G753 PolarHBondContact O-N 2.96Å; W751-G753 PolarHBondContact O-N 3.3Å; G753-R1087 WeakPolarHBondContact O-CD 3.41Å; G753-R1087 PolarHBondContact O-NE 3.48Å; G753-R1087 PolarHBondContact O-NH1 2.97Å |
| 754 | R | 80.2 | Confident | 76.2 | Confident | 162 Ų | 162 | 49.4 Ų | 49.4 | 61% | 0.611 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -47.4 | 175.5 | -67.4 | -171.4 | 178.1 | -175.4 | -0.9 | 112.8 | N737 N752 R1087 | N737-R754 VanDerWaalsContact CG-NE 3.32Å; N737-R754 PolarHBondContact ND2-NE 3.11Å; N737-R754 PolarHBondContact ND2-NH2 3.24Å; N737-R754 PolarHBondContact OD1-NE 3.2Å; N737-R754 PolarHBondContact OD1-NH2 2.82Å; N752-R754 PolarHBondContact O-N 3.38Å; N752-R754 VanDerWaalsContact O-N 3.09Å; N752-R754 WeakPolarHBondContact OD1-CB 3.36Å; N752-R754 PolarHBondContact OD1-N 2.83Å; R754-R1087 PolarHBondContact O-NH1 2.68Å |
| 755 | T | 77.4 | Confident | 75.4 | Confident | 73 Ų | 73 | 57.7 Ų | 57.7 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -19.8 | -173.5 | 59.1 | 0 | 0 | 0 | 0 | 113.1 | N752 Q757 | N752-T755 WeakPolarHBondContact CB-OG1 3.37Å; N752-T755 PolarHBondContact O-N 3.26Å; T755-Q757 PolarHBondContact O-N 2.97Å; T755-Q757 WeakPolarHBondContact OG1-CB 3.43Å; T755-Q757 PolarHBondContact OG1-N 3.09Å |
| 756 | G | 81 | Confident | 74.1 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 6% | 0.062 | 30% | 0.303 | C | S | . | . | trans | 77 | 4.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N752 | N752-G756 WeakPolarHBondContact O-CA 3.49Å; N752-G756 PolarHBondContact O-N 3.34Å | ||
| 757 | Q | 80.6 | Confident | 72.5 | Confident | 124 Ų | 124 | 67.1 Ų | 67.1 | 58% | 0.579 | 31% | 0.305 | S | S | * | . | trans | -87.9 | 145.2 | -177.9 | -66.1 | 177.2 | -23.4 | 0 | 0 | 111.5 | W751 N752 T755 E759 | W751-Q757 WeakPolarHBondContact CA-O 3.36Å; N752-Q757 PolarHBondContact N-O 2.72Å; T755-Q757 PolarHBondContact O-N 2.97Å; T755-Q757 WeakPolarHBondContact OG1-CB 3.43Å; T755-Q757 PolarHBondContact OG1-N 3.09Å; Q757-E759 PolarHBondContact O-N 3.46Å | ||
| 758 | A | 78.2 | Confident | 70.2 | Confident | 44 Ų | 44 | 70.3 Ų | 70.3 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 117.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V749 I750 W751 | V749-A758 HydrophobicContact CG1-CB 3.59Å; I750-A758 CarbonylContact O-C 3.58Å; W751-A758 HydrophobicContact CE3-CB 3.95Å; W751-A758 HydrophobicContact CH2-CB 4.3Å; W751-A758 HydrophobicContact CZ3-CB 3.85Å |
| 759 | E | 74.8 | Confident | 68 | Low | 87 Ų | 87 | 72.4 Ų | 72.4 | 41% | 0.407 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -43 | 175 | -68.9 | -169.7 | 168 | 0 | 0 | 111.5 | L738 I750 N752 Q757 | L738-E759 VanDerWaalsContact CD2-OE2 3.27Å; L738-E759 WeakPolarHBondContact CD2-OE2 3.49Å; I750-E759 PolarHBondContact O-N 3.01Å; N752-E759 HydrophobicContact CB-CG 3.88Å; N752-E759 WeakPolarHBondContact CB-OE1 3.37Å; N752-E759 PolarHBondContact ND2-OE1 2.83Å; Q757-E759 PolarHBondContact O-N 3.46Å |
| 760 | Y | 74.3 | Confident | 65.2 | Low | 125 Ų | 125 | 80.4 Ų | 80.4 | 49% | 0.49 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 133.3 | 178.4 | -64.1 | -80.5 | 0 | 0 | 0 | 109.1 | V749 I750 | V749-Y760 WeakPolarHBondContact CA-O 3.47Å; I750-Y760 HydrophobicContact CD1-CD2 4.38Å; I750-Y760 PolarHBondContact N-O 3.36Å; I750-Y760 PolarHBondContact O-N 3.4Å |
| 761 | S | 75.6 | Confident | 62.6 | Low | 58 Ų | 58 | 85.6 Ų | 85.6 | 41% | 0.406 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.2 | 169.2 | 83.1 | 0 | 0 | 0 | 0 | 109.1 | R747 L748 | R747-S761 PolarHBondContact NH2-OG 2.87Å; R747-S761 VanDerWaalsContact NH2-OG 3.11Å; L748-S761 WeakPolarHBondContact O-CA 3.36Å |
| 762 | F | 73 | Confident | 59.8 | Low | 32 Ų | 32 | 93.9 Ų | 93.9 | 14% | 0.14 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 157.4 | 173.9 | 66.7 | -77.8 | 0 | 0 | 0 | 109.8 | L748 M821 | L748-F762 HydrophobicContact CB-CD1 4.29Å; L748-F762 HydrophobicContact CB-CE1 3.78Å; L748-F762 HydrophobicContact CB-CE2 4.29Å; L748-F762 HydrophobicContact CB-CZ 3.84Å; L748-F762 HydrophobicContact CD2-CE1 3.4Å; L748-F762 VanDerWaalsContact CD2-CE1 3.4Å; L748-F762 HydrophobicContact CD2-CE2 4.18Å; L748-F762 HydrophobicContact CD2-CZ 3.17Å; L748-F762 HydrophobicContact CG-CE1 4.01Å; L748-F762 HydrophobicContact CG-CZ 4.08Å; L748-F762 PolarHBondContact N-O 2.92Å; L748-F762 PolarHBondContact O-N 2.8Å; F762-M821 HydrophobicContact CD1-CE 3.69Å; F762-M821 HydrophobicContact CE1-CE 3.05Å; F762-M821 HydrophobicContact CE1-SD 3.41Å; F762-M821 WeakPolarHBondContact CE1-SD 3.36Å; F762-M821 HydrophobicContact CZ-CE 3.7Å; F762-M821 HydrophobicContact CZ-SD 3.44Å; F762-M821 WeakPolarHBondContact CZ-SD 3.3Å |
| 763 | W | 66.5 | Low | 57.1 | Low | 143 Ų | 143 | 98.1 Ų | 98.1 | 54% | 0.542 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.5 | 175.9 | -63 | 91 | 0 | 0 | 0 | 108.5 | D745 R747 K765 | D745-W763 HydrophobicContact CB-CH2 4.23Å; D745-W763 HydrophobicContact CB-CZ3 3.65Å; D745-W763 WeakPolarHBondContact O-CZ3 3.03Å; R747-W763 HydrophobicContact CB-CD2 4.29Å; R747-W763 HydrophobicContact CB-CE3 3.89Å; R747-W763 HydrophobicContact CB-CH2 4.21Å; R747-W763 HydrophobicContact CB-CZ3 3.84Å; R747-W763 HydrophobicContact CG-CD2 4.17Å; R747-W763 HydrophobicContact CG-CE3 4.27Å; R747-W763 HydrophobicContact CG-CH2 4.45Å; R747-W763 HydrophobicContact CG-CZ2 4.33Å; R747-W763 HydrophobicContact CG-CZ3 4.41Å; W763-K765 PolarHBondContact O-N 2.88Å |
| 764 | L | 65.9 | Low | 54.7 | Low | 10 Ų | 10 | 106.9 Ų | 106.9 | 5% | 0.052 | 51% | 0.513 | C | S | . | . | trans | -56.7 | 133.6 | 157.5 | -83.9 | 118.1 | 0 | 0 | 0 | 106.7 | L742 C746 L748 R766 F809 Y819 | L742-L764 HydrophobicContact CD1-CD1 3.73Å; C746-L764 HydrophobicContact CB-CB 4.21Å; C746-L764 WeakPolarHBondContact O-CD1 3.44Å; C746-L764 PolarHBondContact O-N 2.76Å; C746-L764 VanDerWaalsContact O-N 3.07Å; L748-L764 HydrophobicContact CB-CD1 4.32Å; L764-R766 PolarHBondContact O-N 2.94Å; L764-F809 HydrophobicContact CD1-CE1 4.41Å; L764-F809 HydrophobicContact CD1-CE2 4.48Å; L764-F809 HydrophobicContact CD1-CZ 4.11Å; L764-F809 HydrophobicContact CD2-CD2 4.33Å; L764-F809 HydrophobicContact CD2-CE2 4.24Å; L764-Y819 HydrophobicContact CD2-CE2 3.77Å; L764-Y819 WeakPolarHBondContact CD2-OH 3.42Å | ||
| 765 | K | 52.5 | Low | 52.2 | Low | 191 Ų | 191 | 103.5 Ų | 103.5 | 83% | 0.83 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -55.6 | 97.5 | -176.3 | -79.7 | -176.1 | 174.6 | 177.4 | 0 | 111.1 | W763 | W763-K765 PolarHBondContact O-N 2.88Š|
| 766 | R | 40.4 | Very low | 49.8 | Very low | 231 Ų | 231 | 107.6 Ų | 107.6 | 87% | 0.872 | 54% | 0.538 | S | S | * | . | trans | 58.9 | 136.3 | 176.1 | -63.3 | -176.4 | 175.1 | -176 | -2.1 | 113 | L764 | L764-R766 PolarHBondContact O-N 2.94Š| ||
| 767 | P | 37.5 | Very low | 47.3 | Very low | 28 Ų | 28 | 117.8 Ų | 117.8 | 18% | 0.182 | 58% | 0.576 | C | S | . | * | -137.4 | 157.9 | 50.9 | 33.4 | -12.7 | 0 | 0 | 0 | 115.5 | D794 | P767-D794 WeakPolarHBondContact CB-OD1 3.45Å; P767-D794 HydrophobicContact CG-CB 4.14Å; P767-D794 WeakPolarHBondContact CG-OD1 3.47Å | |||
| 768 | V | 26.8 | Very low | 45 | Very low | 121 Ų | 121 | 118.3 Ų | 118.3 | 73% | 0.733 | 59% | 0.59 | S | S | * | * | trans | -82.1 | 112 | 176.4 | 175 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 769 | V | 32.1 | Very low | 42.5 | Very low | 45 Ų | 45 | 121 Ų | 121 | 27% | 0.273 | 61% | 0.606 | S | S | . | * | trans | -112.8 | 96.6 | 169.2 | -172.8 | 0 | 0 | 0 | 0 | 108.4 | I771 | V769-I771 HydrophobicContact CG1-CD1 4.39Å; V769-I771 HydrophobicContact CG1-CG1 3.7Å; V769-I771 PolarHBondContact O-N 2.82Å | ||
| 770 | H | 24 | Very low | 40.1 | Very low | 168 Ų | 168 | 121.7 Ų | 121.7 | 78% | 0.778 | 62% | 0.62 | S | S | * | * | trans | -73.1 | 94.4 | 166.8 | -88.1 | -66.1 | 0 | 0 | 0 | 109.3 | K772 | H770-K772 PolarHBondContact O-N 2.94Š| ||
| 771 | I | 26.8 | Very low | 37.9 | Very low | 118 Ų | 118 | 121 Ų | 121 | 61% | 0.605 | 63% | 0.634 | S | S | * | * | trans | -79.7 | 95.7 | 168.1 | -53.3 | 175.3 | 0 | 0 | 0 | 107.2 | V769 | V769-I771 HydrophobicContact CG1-CD1 4.39Å; V769-I771 HydrophobicContact CG1-CG1 3.7Å; V769-I771 PolarHBondContact O-N 2.82Å | ||
| 772 | K | 25 | Very low | 35.7 | Very low | 173 Ų | 173 | 123.8 Ų | 123.8 | 75% | 0.752 | 65% | 0.653 | S | S | * | * | trans | -77.3 | 124.3 | 167.2 | -82 | -173.6 | 176.5 | 179.8 | 0 | 108.8 | H770 H774 | H770-K772 PolarHBondContact O-N 2.94Å; K772-H774 PolarHBondContact O-N 3.39Å; K772-H774 VanDerWaalsContact O-N 3.13Å | ||
| 773 | P | 27.2 | Very low | 33.5 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | trans | -68.3 | 112.2 | -177.3 | 26.3 | -31.7 | 0 | 0 | 0 | 109.3 | A775 | P773-A775 PolarHBondContact O-N 2.97Š| ||
| 774 | H | 28 | Very low | 31.7 | Very low | 185 Ų | 185 | 131 Ų | 131 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | -72.5 | 111.8 | 176.7 | -98.4 | -74.3 | 0 | 0 | 0 | 109.9 | K772 | K772-H774 PolarHBondContact O-N 3.39Å; K772-H774 VanDerWaalsContact O-N 3.13Å | ||
| 775 | A | 28.5 | Very low | 29.7 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | -60.6 | 139.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P773 Y777 | P773-A775 PolarHBondContact O-N 2.97Å; A775-Y777 PolarHBondContact O-N 2.66Å; A775-Y777 VanDerWaalsContact O-N 3.14Å | ||
| 776 | L | 26.8 | Very low | 28.4 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -54.8 | 106.8 | 177.2 | -68.6 | 95.4 | 0 | 0 | 0 | 111.9 | ||
| 777 | Y | 29.4 | Very low | 27.7 | Very low | 220 Ų | 220 | 131.2 Ų | 131.2 | 86% | 0.863 | 73% | 0.732 | S | S | * | * | trans | -161.2 | 113.3 | 142.1 | -83.5 | -67.4 | 0 | 0 | 0 | 108.8 | A775 S779 | A775-Y777 PolarHBondContact O-N 2.66Å; A775-Y777 VanDerWaalsContact O-N 3.14Å; Y777-S779 PolarHBondContact O-N 2.82Å | ||
| 778 | P | 31.9 | Very low | 27.2 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -87.9 | 99 | 177.5 | 32.8 | -26.9 | 0 | 0 | 0 | 108.8 | ||||
| 779 | S | 24.7 | Very low | 27.2 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | -112.9 | 106 | 163.6 | 59.9 | 0 | 0 | 0 | 0 | 109.6 | Y777 | Y777-S779 PolarHBondContact O-N 2.82Š| ||
| 780 | S | 26.4 | Very low | 27.2 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | 43.7 | 107.5 | 141.9 | 57.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 781 | S | 27.9 | Very low | 27.7 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 43.4 | 94.4 | 134 | 61.8 | 0 | 0 | 0 | 0 | 117.9 | ||
| 782 | S | 28.5 | Very low | 28.1 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | 148.9 | 80.8 | 136.2 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 783 | M | 26.6 | Very low | 29 | Very low | 191 Ų | 191 | 141.6 Ų | 141.6 | 94% | 0.941 | 80% | 0.798 | S | S | * | * | trans | -129.7 | 67.1 | 155.1 | -87.7 | -165.8 | -83.5 | 0 | 0 | 108.9 | ||||
| 784 | V | 27.8 | Very low | 30.4 | Very low | 135 Ų | 135 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -108.5 | 9.4 | 169.1 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 785 | H | 25.3 | Very low | 32.2 | Very low | 185 Ų | 185 | 131.4 Ų | 131.4 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -121.6 | 116.3 | 176.4 | -86.8 | -58.8 | 0 | 0 | 0 | 114.1 | ||
| 786 | S | 24.4 | Very low | 34.5 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | 78.6 | 74.1 | 147.9 | -173.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 787 | I | 27.1 | Very low | 37.2 | Very low | 155 Ų | 155 | 126.1 Ų | 126.1 | 80% | 0.795 | 70% | 0.698 | S | S | * | * | trans | -109.5 | 77.4 | 140.7 | -56.2 | 175.9 | 0 | 0 | 0 | 106.9 | V790 | I787-V790 HydrophobicContact CG2-CG2 3.92Š| ||
| 788 | K | 25.1 | Very low | 39.9 | Very low | 202 Ų | 202 | 121.1 Ų | 121.1 | 88% | 0.878 | 68% | 0.677 | S | S | * | * | trans | -86 | 104.8 | 161.7 | -82.7 | -177.6 | 173.6 | 179.4 | 0 | 106.4 | ||||
| 789 | G | 27.7 | Very low | 42.5 | Very low | 75 Ų | 75 | 115.1 Ų | 115.1 | 77% | 0.773 | 64% | 0.639 | S | S | * | * | trans | 154.5 | -2.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 790 | V | 32.1 | Very low | 45.5 | Very low | 91 Ų | 91 | 111.3 Ų | 111.3 | 55% | 0.552 | 61% | 0.61 | S | S | * | * | trans | -96.2 | 109.8 | 169 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | I787 N792 | I787-V790 HydrophobicContact CG2-CG2 3.92Å; V790-N792 PolarHBondContact O-N 3.33Å | ||
| 791 | D | 34.1 | Very low | 48.5 | Very low | 156 Ų | 156 | 107 Ų | 107 | 83% | 0.834 | 58% | 0.58 | S | S | * | * | trans | -56.5 | 103.4 | 166.3 | -78.9 | -36.7 | 0 | 0 | 0 | 108.5 | K793 | D791-K793 VanDerWaalsContact C-N 3.31Å; D791-K793 PolarHBondContact O-N 3.04Å | ||
| 792 | N | 36.2 | Very low | 51.1 | Low | 160 Ų | 160 | 102.1 Ų | 102.1 | 86% | 0.856 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -61.1 | 70.9 | -176.6 | -99.1 | -14.6 | 0 | 0 | 0 | 113.8 | V790 | V790-N792 PolarHBondContact O-N 3.33Š|
| 793 | K | 44.3 | Very low | 53.6 | Low | 188 Ų | 188 | 102 Ų | 102 | 82% | 0.817 | 53% | 0.529 | S | S | * | . | trans | -136.5 | 30.1 | 175.5 | -75.6 | -165.1 | 179.4 | 179.4 | 0 | 115.6 | D791 A795 | D791-K793 VanDerWaalsContact C-N 3.31Å; D791-K793 PolarHBondContact O-N 3.04Å; K793-A795 PolarHBondContact O-N 2.78Å | ||
| 794 | D | 55.5 | Low | 56 | Low | 67 Ų | 67 | 94.5 Ų | 94.5 | 36% | 0.358 | 50% | 0.5 | S | S | . | . | trans | -83.8 | 94 | 169.3 | -60.7 | -24.1 | 0 | 0 | 0 | 109 | P767 | P767-D794 WeakPolarHBondContact CB-OD1 3.45Å; P767-D794 HydrophobicContact CG-CB 4.14Å; P767-D794 WeakPolarHBondContact CG-OD1 3.47Å | ||
| 795 | A | 66.6 | Low | 58.4 | Low | 24 Ų | 24 | 92.5 Ų | 92.5 | 20% | 0.198 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 117.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.1 | K793 L811 D813 | K793-A795 PolarHBondContact O-N 2.78Å; A795-L811 HydrophobicContact CB-CB 4.18Å; A795-L811 HydrophobicContact CB-CD1 4.3Å; A795-D813 HydrophobicContact CB-CB 3.85Å; A795-D813 VanDerWaalsContact CB-CG 3.47Å |
| 796 | Y | 76.9 | Confident | 61.3 | Low | 129 Ų | 129 | 84.1 Ų | 84.1 | 51% | 0.506 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 141.9 | -179.8 | -63.9 | -80.3 | 0 | 0 | 0 | 110.5 | W798 L811 S812 | Y796-W798 PolarHBondContact O-N 2.82Å; Y796-L811 CarbonylContact O-C 3.53Å; Y796-L811 VanDerWaalsContact O-CA 3.3Å; Y796-L811 WeakPolarHBondContact O-CA 3.41Å; Y796-S812 PolarHBondContact N-OG 2.85Å; Y796-S812 PolarHBondContact O-N 2.82Å |
| 797 | V | 83.3 | Confident | 64.2 | Low | 10 Ų | 10 | 79.5 Ų | 79.5 | 6% | 0.061 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 120.8 | 170.3 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | M730 L742 S799 F809 L811 | M730-V797 HydrophobicContact CE-CG1 4.27Å; M730-V797 WeakPolarHBondContact CE-O 3.4Å; M730-V797 HydrophobicContact SD-CG1 4Å; L742-V797 HydrophobicContact CD2-CB 3.57Å; L742-V797 HydrophobicContact CD2-CG1 3.62Å; L742-V797 HydrophobicContact CD2-CG2 3.68Å; V797-S799 WeakPolarHBondContact CG1-O 3.18Å; V797-F809 HydrophobicContact CG1-CD1 3.88Å; V797-F809 HydrophobicContact CG2-CD1 4.46Å; V797-L811 HydrophobicContact CB-CD2 4.07Å; V797-L811 HydrophobicContact CG2-CD2 3.46Å; V797-L811 VanDerWaalsContact CG2-CD2 3.46Å |
| 798 | W | 85.7 | Confident | 67.1 | Low | 115 Ų | 115 | 72.1 Ų | 72.1 | 44% | 0.436 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -28.1 | 177.1 | -82.1 | 10 | 0 | 0 | 0 | 112.4 | M730 Y796 G810 S812 V838 T839 | M730-W798 WeakPolarHBondContact CE-O 3.45Å; Y796-W798 PolarHBondContact O-N 2.82Å; W798-G810 PolarHBondContact N-O 2.89Å; W798-S812 VanDerWaalsContact CE2-CB 3.43Å; W798-S812 VanDerWaalsContact NE1-CB 3.29Å; W798-V838 WeakPolarHBondContact CB-O 3.3Å; W798-T839 HydrophobicContact CE3-CG2 4.03Å; W798-T839 HydrophobicContact CZ3-CG2 4.08Å |
| 799 | S | 86.8 | Confident | 70.1 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 7% | 0.07 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 150.8 | 177.5 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | V797 F809 G810 V838 T839 V841 | V797-S799 WeakPolarHBondContact CG1-O 3.18Å; S799-F809 WeakPolarHBondContact O-CA 3.47Å; S799-G810 PolarHBondContact N-O 2.81Å; S799-G810 VanDerWaalsContact N-O 3.16Å; S799-G810 PolarHBondContact O-N 2.77Å; S799-V838 PolarHBondContact OG-O 3.27Å; S799-T839 WeakPolarHBondContact CB-O 3.5Å; S799-V841 WeakPolarHBondContact OG-CG2 3.45Å |
| 800 | M | 88 | Confident | 73 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 137.8 | -178.7 | 179 | 178.6 | 69.2 | 0 | 0 | 109.4 | M730 H732 L740 L742 L748 V807 A808 F809 | M730-M800 HydrophobicContact CB-CE 3.83Å; M730-M800 HydrophobicContact SD-CB 4.04Å; H732-M800 HydrophobicContact CB-CE 3.81Å; L740-M800 HydrophobicContact CD2-CE 3.92Å; L740-M800 HydrophobicContact CD2-CG 3.87Å; L740-M800 HydrophobicContact CD2-SD 3.39Å; L740-M800 WeakPolarHBondContact CD2-SD 3.41Å; L740-M800 HydrophobicContact CG-CE 4.07Å; L740-M800 HydrophobicContact CG-SD 3.87Å; L742-M800 HydrophobicContact CB-CE 4.35Å; L742-M800 HydrophobicContact CB-SD 4.09Å; L748-M800 HydrophobicContact CD1-SD 3.91Å; M800-V807 HydrophobicContact CG-CG1 4.42Å; M800-A808 WeakPolarHBondContact CA-O 2.74Å; M800-F809 HydrophobicContact CB-CD1 4.08Å; M800-F809 HydrophobicContact CB-CE1 4.26Å; M800-F809 HydrophobicContact CG-CD1 3.88Å; M800-F809 HydrophobicContact CG-CE1 3.63Å; M800-F809 HydrophobicContact SD-CD1 4.28Å; M800-F809 HydrophobicContact SD-CE1 3.52Å; M800-F809 VanDerWaalsContact SD-CE1 3.52Å; M800-F809 HydrophobicContact SD-CZ 4.31Å |
| 801 | T | 88.6 | Confident | 75.7 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 156.2 | 169.9 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | H732 A808 V841 M843 | H732-T801 PolarHBondContact NE2-OG1 3.43Å; T801-A808 HydrophobicContact CG2-CB 4Å; T801-A808 PolarHBondContact N-O 3.33Å; T801-A808 PolarHBondContact O-N 3.24Å; T801-V841 WeakPolarHBondContact CB-O 3.31Å; T801-V841 HydrophobicContact CG2-CB 3.8Å; T801-V841 HydrophobicContact CG2-CG1 3.37Å; T801-V841 WeakPolarHBondContact CG2-O 3.38Å; T801-M843 HydrophobicContact CG2-CE 4Å; T801-M843 HydrophobicContact CG2-CG 3.79Å; T801-M843 HydrophobicContact CG2-SD 4.47Å |
| 802 | G | 83.6 | Confident | 78 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 152.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | H732 L806 M843 | H732-G802 PolarHBondContact CD2-N 3.42Å; H732-G802 PolarHBondContact NE2-N 2.9Å; H732-G802 VanDerWaalsContact NE2-N 3.13Å; H732-G802 PolarHBondContact NE2-O 3.27Å; G802-L806 CarbonylContact C-O 3.59Å; G802-L806 WeakPolarHBondContact CA-O 3.49Å; G802-M843 VanDerWaalsContact C-CE 3.43Å |
| 803 | R | 80.7 | Confident | 80.2 | Confident | 113 Ų | 113 | 43.1 Ų | 43.1 | 43% | 0.426 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 113.5 | -178.6 | -177.7 | -175.7 | -177.5 | -133.9 | -4.9 | 108.7 | E805 L806 M843 G845 | R803-E805 PolarHBondContact O-N 2.66Å; R803-L806 PolarHBondContact N-O 3.49Å; R803-L806 PolarHBondContact O-N 3.22Å; R803-M843 HydrophobicContact CB-CE 3.71Å; R803-M843 VanDerWaalsContact N-CE 3.33Å; R803-G845 VanDerWaalsContact NH1-C 3.3Å; R803-G845 PolarHBondContact NH1-O 2.92Å |
| 804 | G | 76.7 | Confident | 82.2 | Confident | 33 Ų | 33 | 34.1 Ų | 34.1 | 34% | 0.34 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | -111.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 805 | E | 77.7 | Confident | 83.6 | Confident | 93 Ų | 93 | 31.3 Ų | 31.3 | 44% | 0.435 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -7.9 | -176 | -51.1 | 171.7 | 169.2 | 0 | 0 | 113 | R803 M821 N822 | R803-E805 PolarHBondContact O-N 2.66Å; E805-M821 VanDerWaalsContact O-CB 3.31Å; E805-M821 WeakPolarHBondContact O-CB 3.48Å; E805-M821 PolarHBondContact O-N 2.85Å; E805-N822 VanDerWaalsContact CG-OD1 3.23Å; E805-N822 WeakPolarHBondContact CG-OD1 3.49Å; E805-N822 PolarHBondContact OE1-ND2 2.86Å; E805-N822 PolarHBondContact OE1-OD1 3.44Å; E805-N822 PolarHBondContact OE2-ND2 2.8Å |
| 806 | L | 85.4 | Confident | 84.7 | Confident | 9 Ų | 9 | 30.3 Ų | 30.3 | 5% | 0.047 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 135.4 | -176.1 | -63.7 | 175.8 | 0 | 0 | 0 | 110.7 | G802 R803 L818 Y819 I828 L862 Y864 V872 | G802-L806 CarbonylContact C-O 3.59Å; G802-L806 WeakPolarHBondContact CA-O 3.49Å; R803-L806 PolarHBondContact N-O 3.49Å; R803-L806 PolarHBondContact O-N 3.22Å; L806-L818 HydrophobicContact CB-CD1 4.34Å; L806-Y819 WeakPolarHBondContact CA-O 3.01Å; L806-I828 HydrophobicContact CD2-CD1 3.34Å; L806-L862 HydrophobicContact CD1-CD1 3.94Å; L806-Y864 HydrophobicContact CD1-CE1 4.42Å; L806-V872 HydrophobicContact CD1-CG1 4.15Å; L806-V872 HydrophobicContact CD1-CG2 4.47Å; L806-V872 HydrophobicContact CD2-CB 4.41Å; L806-V872 HydrophobicContact CD2-CG1 4.45Å; L806-V872 HydrophobicContact CD2-CG2 4.18Å |
| 807 | V | 86.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131 | 173.3 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | L734 L740 L748 M800 F809 L818 Y819 M821 | L734-V807 HydrophobicContact CD2-CG2 4.38Å; L740-V807 HydrophobicContact CD1-CG2 4.27Å; L740-V807 HydrophobicContact CD2-CB 4.34Å; L740-V807 HydrophobicContact CD2-CG1 3.47Å; L740-V807 VanDerWaalsContact CD2-CG1 3.47Å; L740-V807 HydrophobicContact CD2-CG2 3.88Å; L748-V807 HydrophobicContact CD2-CG1 4.27Å; M800-V807 HydrophobicContact CG-CG1 4.42Å; V807-F809 HydrophobicContact CB-CE2 4.42Å; V807-F809 HydrophobicContact CG1-CD2 4.35Å; V807-F809 HydrophobicContact CG1-CE1 4.11Å; V807-F809 HydrophobicContact CG1-CE2 3.58Å; V807-F809 HydrophobicContact CG1-CZ 3.43Å; V807-F809 VanDerWaalsContact CG1-CZ 3.43Å; V807-L818 CarbonylContact O-C 3.6Å; V807-L818 WeakPolarHBondContact O-CA 3.37Å; V807-Y819 PolarHBondContact N-O 2.91Å; V807-Y819 PolarHBondContact O-N 3.36Å; V807-M821 HydrophobicContact CB-CG 4.47Å; V807-M821 HydrophobicContact CG2-CG 3.66Å; V807-M821 HydrophobicContact CG2-SD 4.37Å |
| 808 | A | 88.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 140.1 | -177 | 0 | 0 | 0 | 0 | 0 | 111 | M800 T801 F816 R817 L818 V841 M843 | M800-A808 WeakPolarHBondContact CA-O 2.74Å; T801-A808 HydrophobicContact CG2-CB 4Å; T801-A808 PolarHBondContact N-O 3.33Å; T801-A808 PolarHBondContact O-N 3.24Å; A808-F816 HydrophobicContact CB-CE2 3.74Å; A808-F816 HydrophobicContact CB-CZ 3.93Å; A808-R817 CarbonylContact C-O 3.55Å; A808-R817 WeakPolarHBondContact CA-O 3.45Å; A808-L818 HydrophobicContact CB-CD1 3.83Å; A808-V841 HydrophobicContact CB-CG1 3.96Å; A808-M843 HydrophobicContact CB-CE 4.31Å; A808-M843 HydrophobicContact CB-SD 4Å |
| 809 | F | 88 | Confident | 85.3 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137.4 | -178.3 | -58.7 | -81.4 | 0 | 0 | 0 | 111 | L748 L764 V797 S799 M800 V807 F816 R817 Y819 | L748-F809 HydrophobicContact CD1-CE1 3.94Å; L748-F809 HydrophobicContact CD1-CZ 3.64Å; L748-F809 HydrophobicContact CD2-CE2 4.35Å; L748-F809 HydrophobicContact CD2-CZ 3.7Å; L748-F809 HydrophobicContact CG-CZ 4.28Å; L764-F809 HydrophobicContact CD1-CE1 4.41Å; L764-F809 HydrophobicContact CD1-CE2 4.48Å; L764-F809 HydrophobicContact CD1-CZ 4.11Å; L764-F809 HydrophobicContact CD2-CD2 4.33Å; L764-F809 HydrophobicContact CD2-CE2 4.24Å; V797-F809 HydrophobicContact CG1-CD1 3.88Å; V797-F809 HydrophobicContact CG2-CD1 4.46Å; S799-F809 WeakPolarHBondContact O-CA 3.47Å; M800-F809 HydrophobicContact CB-CD1 4.08Å; M800-F809 HydrophobicContact CB-CE1 4.26Å; M800-F809 HydrophobicContact CG-CD1 3.88Å; M800-F809 HydrophobicContact CG-CE1 3.63Å; M800-F809 HydrophobicContact SD-CD1 4.28Å; M800-F809 HydrophobicContact SD-CE1 3.52Å; M800-F809 VanDerWaalsContact SD-CE1 3.52Å; M800-F809 HydrophobicContact SD-CZ 4.31Å; V807-F809 HydrophobicContact CB-CE2 4.42Å; V807-F809 HydrophobicContact CG1-CD2 4.35Å; V807-F809 HydrophobicContact CG1-CE1 4.11Å; V807-F809 HydrophobicContact CG1-CE2 3.58Å; V807-F809 HydrophobicContact CG1-CZ 3.43Å; V807-F809 VanDerWaalsContact CG1-CZ 3.43Å; F809-F816 WeakPolarHBondContact O-CA 3.43Å; F809-F816 WeakPolarHBondContact O-CD2 3.27Å; F809-R817 PolarHBondContact N-O 3.04Å; F809-R817 PolarHBondContact O-N 2.73Å; F809-Y819 AromaticContact CD2-CD2 3.53Å; F809-Y819 HydrophobicContact CD2-CD2 3.53Å; F809-Y819 AromaticContact CD2-CE2 3.63Å; F809-Y819 HydrophobicContact CD2-CE2 3.63Å; F809-Y819 AromaticContact CE2-CD2 3.43Å; F809-Y819 HydrophobicContact CE2-CD2 3.43Å; F809-Y819 VanDerWaalsContact CE2-CD2 3.43Å; F809-Y819 AromaticContact CE2-CE2 3.75Å; F809-Y819 HydrophobicContact CE2-CE2 3.75Å; F809-Y819 HydrophobicContact CE2-CG 4.33Å |
| 810 | G | 88.7 | Confident | 85 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | W798 S799 | W798-G810 PolarHBondContact N-O 2.89Å; S799-G810 PolarHBondContact N-O 2.81Å; S799-G810 VanDerWaalsContact N-O 3.16Å; S799-G810 PolarHBondContact O-N 2.77Å |
| 811 | L | 88 | Confident | 84.3 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 157.9 | -177.4 | -61.1 | 179 | 0 | 0 | 0 | 111.8 | A795 Y796 V797 D813 G814 T815 R817 G837 V838 | A795-L811 HydrophobicContact CB-CB 4.18Å; A795-L811 HydrophobicContact CB-CD1 4.3Å; Y796-L811 CarbonylContact O-C 3.53Å; Y796-L811 VanDerWaalsContact O-CA 3.3Å; Y796-L811 WeakPolarHBondContact O-CA 3.41Å; V797-L811 HydrophobicContact CB-CD2 4.07Å; V797-L811 HydrophobicContact CG2-CD2 3.46Å; V797-L811 VanDerWaalsContact CG2-CD2 3.46Å; L811-D813 VanDerWaalsContact C-N 3.27Å; L811-D813 WeakPolarHBondContact CB-OD1 3.39Å; L811-D813 PolarHBondContact O-N 3.26Å; L811-G814 PolarHBondContact O-N 3Å; L811-G814 VanDerWaalsContact O-N 3.13Å; L811-T815 WeakPolarHBondContact CB-O 3.39Å; L811-T815 VanDerWaalsContact CB-OG1 3.27Å; L811-T815 WeakPolarHBondContact CB-OG1 3.46Å; L811-T815 WeakPolarHBondContact CD1-OG1 3.41Å; L811-T815 WeakPolarHBondContact CG-OG1 3.19Å; L811-T815 PolarHBondContact N-O 3.44Å; L811-R817 HydrophobicContact CD1-CG 4.35Å; L811-G837 WeakPolarHBondContact O-CA 3.45Å; L811-V838 PolarHBondContact O-N 3.4Å |
| 812 | S | 83.1 | Confident | 83.4 | Confident | 29 Ų | 29 | 25.3 Ų | 25.3 | 20% | 0.203 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -26.1 | -178.5 | 68.9 | 0 | 0 | 0 | 0 | 113.7 | Y796 W798 G814 G837 | Y796-S812 PolarHBondContact N-OG 2.85Å; Y796-S812 PolarHBondContact O-N 2.82Å; W798-S812 VanDerWaalsContact CE2-CB 3.43Å; W798-S812 VanDerWaalsContact NE1-CB 3.29Å; S812-G814 PolarHBondContact O-N 2.89Å; S812-G837 WeakPolarHBondContact O-CA 3.38Å; S812-G837 PolarHBondContact O-N 2.86Å |
| 813 | D | 82.5 | Confident | 82.6 | Confident | 43 Ų | 43 | 29.9 Ų | 29.9 | 23% | 0.23 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -0.4 | 176.9 | 76.6 | -22.5 | 0 | 0 | 0 | 113.3 | A795 L811 T815 R832 N835 | A795-D813 HydrophobicContact CB-CB 3.85Å; A795-D813 VanDerWaalsContact CB-CG 3.47Å; L811-D813 VanDerWaalsContact C-N 3.27Å; L811-D813 WeakPolarHBondContact CB-OD1 3.39Å; L811-D813 PolarHBondContact O-N 3.26Å; D813-T815 WeakPolarHBondContact OD1-CB 3.46Å; D813-T815 WeakPolarHBondContact OD1-CG2 3.45Å; D813-T815 PolarHBondContact OD1-N 3.37Å; D813-T815 PolarHBondContact OD1-OG1 2.8Å; D813-T815 VanDerWaalsContact OD2-CG2 3.25Å; D813-T815 WeakPolarHBondContact OD2-CG2 3.23Å; D813-T815 PolarHBondContact OD2-OG1 2.84Å; D813-R832 PolarHBondContact O-NE 2.75Å; D813-R832 PolarHBondContact O-NH2 2.9Å; D813-N835 CarbonylContact O-C 3.59Å; D813-N835 WeakPolarHBondContact O-CA 3.47Å |
| 814 | G | 85.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 87.4 | 4.8 | -180 | 0 | 0 | 0 | 0 | 0 | 115.7 | L811 S812 S834 V836 R852 | L811-G814 PolarHBondContact O-N 3Å; L811-G814 VanDerWaalsContact O-N 3.13Å; S812-G814 PolarHBondContact O-N 2.89Å; G814-S834 WeakPolarHBondContact CA-O 3.16Å; G814-V836 WeakPolarHBondContact CA-O 3.48Å; G814-R852 PolarHBondContact O-NH1 2.74Å |
| 815 | T | 86.2 | Confident | 81.3 | Confident | 8 Ų | 8 | 26.1 Ų | 26.1 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 138.8 | 172.5 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | L811 D813 R832 | L811-T815 WeakPolarHBondContact CB-O 3.39Å; L811-T815 VanDerWaalsContact CB-OG1 3.27Å; L811-T815 WeakPolarHBondContact CB-OG1 3.46Å; L811-T815 WeakPolarHBondContact CD1-OG1 3.41Å; L811-T815 WeakPolarHBondContact CG-OG1 3.19Å; L811-T815 PolarHBondContact N-O 3.44Å; D813-T815 WeakPolarHBondContact OD1-CB 3.46Å; D813-T815 WeakPolarHBondContact OD1-CG2 3.45Å; D813-T815 PolarHBondContact OD1-N 3.37Å; D813-T815 PolarHBondContact OD1-OG1 2.8Å; D813-T815 VanDerWaalsContact OD2-CG2 3.25Å; D813-T815 WeakPolarHBondContact OD2-CG2 3.23Å; D813-T815 PolarHBondContact OD2-OG1 2.84Å; T815-R832 HydrophobicContact CG2-CB 3.77Å; T815-R832 HydrophobicContact CG2-CG 3.72Å |
| 816 | F | 88.5 | Confident | 81.2 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129 | 170.7 | 168.9 | -102.7 | 0 | 0 | 0 | 108.5 | A808 F809 L818 F829 E830 N831 V841 V848 L850 L860 | A808-F816 HydrophobicContact CB-CE2 3.74Å; A808-F816 HydrophobicContact CB-CZ 3.93Å; F809-F816 WeakPolarHBondContact O-CA 3.43Å; F809-F816 WeakPolarHBondContact O-CD2 3.27Å; F816-L818 HydrophobicContact CE1-CB 4.14Å; F816-L818 HydrophobicContact CZ-CB 4.28Å; F816-F829 AromaticContact CD1-CD1 3.85Å; F816-F829 HydrophobicContact CD1-CD1 3.85Å; F816-F829 HydrophobicContact CD1-CE1 4.01Å; F816-F829 AromaticContact CE1-CD1 3.88Å; F816-F829 HydrophobicContact CE1-CD1 3.88Å; F816-F829 HydrophobicContact CE1-CE1 4.25Å; F816-E830 WeakPolarHBondContact O-CA 3.46Å; F816-N831 PolarHBondContact N-O 2.77Å; F816-N831 PolarHBondContact O-N 3.05Å; F816-V841 HydrophobicContact CD2-CG1 4.47Å; F816-V841 HydrophobicContact CD2-CG2 4.34Å; F816-V841 HydrophobicContact CE2-CG1 3.78Å; F816-V841 HydrophobicContact CE2-CG2 4.42Å; F816-V848 HydrophobicContact CE2-CG1 4.08Å; F816-V848 HydrophobicContact CZ-CG1 3.91Å; F816-L850 HydrophobicContact CB-CD1 3.73Å; F816-L850 HydrophobicContact CD1-CD1 4.49Å; F816-L850 HydrophobicContact CD2-CD1 3.91Å; F816-L850 HydrophobicContact CD2-CD2 3.31Å; F816-L850 HydrophobicContact CD2-CG 4.26Å; F816-L850 HydrophobicContact CE2-CD2 3.47Å; F816-L850 VanDerWaalsContact CE2-CD2 3.47Å; F816-L850 HydrophobicContact CG-CD1 3.79Å; F816-L850 HydrophobicContact CG-CD2 4.04Å; F816-L850 HydrophobicContact CZ-CD2 4.33Å; F816-L860 HydrophobicContact CD1-CD1 3.85Å; F816-L860 HydrophobicContact CE1-CD1 3.67Å; F816-L860 HydrophobicContact CG-CD1 4.36Å; F816-L860 HydrophobicContact CZ-CD1 4.02Å |
| 817 | R | 87.7 | Confident | 80.8 | Confident | 56 Ų | 56 | 29 Ų | 29 | 21% | 0.211 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 130.6 | 179.4 | -68.1 | -177.4 | 174.1 | 163.6 | -2.4 | 110.9 | A808 F809 L811 Y819 L827 F829 E830 | A808-R817 CarbonylContact C-O 3.55Å; A808-R817 WeakPolarHBondContact CA-O 3.45Å; F809-R817 PolarHBondContact N-O 3.04Å; F809-R817 PolarHBondContact O-N 2.73Å; L811-R817 HydrophobicContact CD1-CG 4.35Å; R817-Y819 HydrophobicContact CB-CD2 4.31Å; R817-Y819 HydrophobicContact CB-CE2 3.68Å; R817-L827 HydrophobicContact CB-CD1 3.86Å; R817-L827 HydrophobicContact CG-CD1 4.08Å; R817-F829 CarbonylContact C-O 3.57Å; R817-F829 WeakPolarHBondContact CA-O 3.27Å; R817-E830 HydrophobicContact CG-CB 4.31Å; R817-E830 HydrophobicContact CG-CG 4.04Å; R817-E830 IonicContact CZ-OE1 3.82Å; R817-E830 VanDerWaalsContact CZ-OE1 3.26Å; R817-E830 IonicContact NE-OE1 3.65Å; R817-E830 PolarHBondContact NE-OE1 3.42Å; R817-E830 IonicContact NH2-OE1 2.75Å; R817-E830 PolarHBondContact NH2-OE1 2.67Å |
| 818 | L | 87.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.9 | 175 | -176.3 | 72.1 | 0 | 0 | 0 | 109.5 | L806 V807 A808 F816 I828 F829 M843 L862 C874 | L806-L818 HydrophobicContact CB-CD1 4.34Å; V807-L818 CarbonylContact O-C 3.6Å; V807-L818 WeakPolarHBondContact O-CA 3.37Å; A808-L818 HydrophobicContact CB-CD1 3.83Å; F816-L818 HydrophobicContact CE1-CB 4.14Å; F816-L818 HydrophobicContact CZ-CB 4.28Å; L818-I828 HydrophobicContact CD2-CB 4.35Å; L818-I828 HydrophobicContact CD2-CD1 4.16Å; L818-I828 HydrophobicContact CD2-CG2 4.34Å; L818-I828 HydrophobicContact CG-CB 4.42Å; L818-I828 HydrophobicContact CG-CD1 4.15Å; L818-I828 WeakPolarHBondContact O-CB 3.27Å; L818-I828 PolarHBondContact O-N 2.91Å; L818-F829 HydrophobicContact CB-CB 4.08Å; L818-F829 PolarHBondContact N-O 2.95Å; L818-F829 PolarHBondContact O-N 3.5Å; L818-M843 HydrophobicContact CD1-SD 4.37Å; L818-L862 HydrophobicContact CD2-CD2 3.5Å; L818-L862 VanDerWaalsContact CD2-CD2 3.5Å; L818-C874 HydrophobicContact CD2-CB 4.25Å |
| 819 | Y | 84 | Confident | 80.2 | Confident | 14 Ų | 14 | 33 Ų | 33 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 144.6 | -178.7 | -71.9 | -92.6 | 0 | 0 | 0 | 111.3 | L764 L806 V807 F809 R817 G825 N826 L827 | L764-Y819 HydrophobicContact CD2-CE2 3.77Å; L764-Y819 WeakPolarHBondContact CD2-OH 3.42Å; L806-Y819 WeakPolarHBondContact CA-O 3.01Å; V807-Y819 PolarHBondContact N-O 2.91Å; V807-Y819 PolarHBondContact O-N 3.36Å; F809-Y819 AromaticContact CD2-CD2 3.53Å; F809-Y819 HydrophobicContact CD2-CD2 3.53Å; F809-Y819 AromaticContact CD2-CE2 3.63Å; F809-Y819 HydrophobicContact CD2-CE2 3.63Å; F809-Y819 AromaticContact CE2-CD2 3.43Å; F809-Y819 HydrophobicContact CE2-CD2 3.43Å; F809-Y819 VanDerWaalsContact CE2-CD2 3.43Å; F809-Y819 AromaticContact CE2-CE2 3.75Å; F809-Y819 HydrophobicContact CE2-CE2 3.75Å; F809-Y819 HydrophobicContact CE2-CG 4.33Å; R817-Y819 HydrophobicContact CB-CD2 4.31Å; R817-Y819 HydrophobicContact CB-CE2 3.68Å; Y819-G825 WeakPolarHBondContact CD1-O 3.48Å; Y819-N826 CarbonylContact C-O 3.55Å; Y819-N826 WeakPolarHBondContact CA-O 3.48Å; Y819-L827 HydrophobicContact CD1-CB 4.11Å; Y819-L827 HydrophobicContact CD1-CD1 4.4Å; Y819-L827 HydrophobicContact CD2-CD1 4.27Å; Y819-L827 HydrophobicContact CE1-CB 3.74Å; Y819-L827 HydrophobicContact CE1-CD1 3.96Å; Y819-L827 HydrophobicContact CE1-CG 4.45Å; Y819-L827 HydrophobicContact CE2-CD1 3.85Å |
| 820 | N | 80.2 | Confident | 80 | Confident | 16 Ų | 16 | 37.3 Ų | 37.3 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 120.6 | 168.7 | -168.2 | -16.9 | 0 | 0 | 0 | 109.2 | N822 G825 N826 I828 | N820-N822 PolarHBondContact OD1-N 2.83Å; N820-N822 VanDerWaalsContact OD1-N 3.09Å; N820-G825 CarbonylContact O-C 3.38Å; N820-G825 VanDerWaalsContact O-CA 3.29Å; N820-G825 WeakPolarHBondContact O-CA 3.27Å; N820-G825 PolarHBondContact O-N 2.8Å; N820-N826 PolarHBondContact N-O 3.06Å; N820-N826 PolarHBondContact O-N 3.43Å; N820-N826 VanDerWaalsContact O-N 3.09Å; N820-I828 HydrophobicContact CB-CD1 3.47Å; N820-I828 VanDerWaalsContact CB-CD1 3.47Å; N820-I828 HydrophobicContact CB-CG1 3.65Å |
| 821 | M | 74 | Confident | 79.8 | Confident | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.039 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -20.9 | -176.3 | -66.2 | -49.6 | -36.6 | 0 | 0 | 115.2 | L748 I750 F762 E805 V807 I823 | L748-M821 HydrophobicContact CD2-SD 4.35Å; I750-M821 HydrophobicContact CD1-CB 4.02Å; I750-M821 HydrophobicContact CD1-CE 4.01Å; I750-M821 HydrophobicContact CD1-CG 3.9Å; I750-M821 HydrophobicContact CD1-SD 4.47Å; F762-M821 HydrophobicContact CD1-CE 3.69Å; F762-M821 HydrophobicContact CE1-CE 3.05Å; F762-M821 HydrophobicContact CE1-SD 3.41Å; F762-M821 WeakPolarHBondContact CE1-SD 3.36Å; F762-M821 HydrophobicContact CZ-CE 3.7Å; F762-M821 HydrophobicContact CZ-SD 3.44Å; F762-M821 WeakPolarHBondContact CZ-SD 3.3Å; E805-M821 VanDerWaalsContact O-CB 3.31Å; E805-M821 WeakPolarHBondContact O-CB 3.48Å; E805-M821 PolarHBondContact O-N 2.85Å; V807-M821 HydrophobicContact CB-CG 4.47Å; V807-M821 HydrophobicContact CG2-CG 3.66Å; V807-M821 HydrophobicContact CG2-SD 4.37Å; M821-I823 PolarHBondContact O-N 3.21Å |
| 822 | N | 70.5 | Confident | 79.6 | Confident | 96 Ų | 96 | 45 Ų | 45 | 51% | 0.513 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -28.6 | 179.5 | -88.9 | 13.4 | 0 | 0 | 0 | 114.1 | E805 N820 | E805-N822 VanDerWaalsContact CG-OD1 3.23Å; E805-N822 WeakPolarHBondContact CG-OD1 3.49Å; E805-N822 PolarHBondContact OE1-ND2 2.86Å; E805-N822 PolarHBondContact OE1-OD1 3.44Å; E805-N822 PolarHBondContact OE2-ND2 2.8Å; N820-N822 PolarHBondContact OD1-N 2.83Å; N820-N822 VanDerWaalsContact OD1-N 3.09Å |
| 823 | I | 65.1 | Low | 79.4 | Confident | 105 Ų | 105 | 46.6 Ų | 46.6 | 54% | 0.538 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 43.4 | -172.1 | -41.8 | 174.8 | 0 | 0 | 0 | 109.5 | M821 G825 N826 | M821-I823 PolarHBondContact O-N 3.21Å; I823-G825 PolarHBondContact O-N 2.95Å; I823-N826 WeakPolarHBondContact CG2-ND2 3.41Å; I823-N826 PolarHBondContact O-ND2 2.92Å |
| 824 | G | 62.6 | Low | 79.4 | Confident | 56 Ų | 56 | 46 Ų | 46 | 58% | 0.577 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 27.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 825 | G | 67.7 | Low | 79.4 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 79.7 | 43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y819 N820 I823 | Y819-G825 WeakPolarHBondContact CD1-O 3.48Å; N820-G825 CarbonylContact O-C 3.38Å; N820-G825 VanDerWaalsContact O-CA 3.29Å; N820-G825 WeakPolarHBondContact O-CA 3.27Å; N820-G825 PolarHBondContact O-N 2.8Å; I823-G825 PolarHBondContact O-N 2.95Å |
| 826 | N | 75.4 | Confident | 79.5 | Confident | 89 Ų | 89 | 53.2 Ų | 53.2 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 132.9 | 177.4 | -78.1 | -25.7 | 0 | 0 | 0 | 111.6 | Y819 N820 I823 I828 | Y819-N826 CarbonylContact C-O 3.55Å; Y819-N826 WeakPolarHBondContact CA-O 3.48Å; N820-N826 PolarHBondContact N-O 3.06Å; N820-N826 PolarHBondContact O-N 3.43Å; N820-N826 VanDerWaalsContact O-N 3.09Å; I823-N826 WeakPolarHBondContact CG2-ND2 3.41Å; I823-N826 PolarHBondContact O-ND2 2.92Å; N826-I828 PolarHBondContact O-N 3.36Å |
| 827 | L | 77.1 | Confident | 79.4 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 117 | 170.2 | -179.7 | 70.8 | 0 | 0 | 0 | 109.2 | R817 Y819 E830 | R817-L827 HydrophobicContact CB-CD1 3.86Å; R817-L827 HydrophobicContact CG-CD1 4.08Å; Y819-L827 HydrophobicContact CD1-CB 4.11Å; Y819-L827 HydrophobicContact CD1-CD1 4.4Å; Y819-L827 HydrophobicContact CD2-CD1 4.27Å; Y819-L827 HydrophobicContact CE1-CB 3.74Å; Y819-L827 HydrophobicContact CE1-CD1 3.96Å; Y819-L827 HydrophobicContact CE1-CG 4.45Å; Y819-L827 HydrophobicContact CE2-CD1 3.85Å; L827-E830 HydrophobicContact CD1-CB 4.29Å; L827-E830 HydrophobicContact CD2-CB 3.98Å; L827-E830 HydrophobicContact CG-CB 4.46Å |
| 828 | I | 79 | Confident | 79.6 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 25% | 0.246 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -45.8 | 178.6 | -56.8 | 176.9 | 0 | 0 | 0 | 110.6 | L806 L818 N820 N826 V872 | L806-I828 HydrophobicContact CD2-CD1 3.34Å; L818-I828 HydrophobicContact CD2-CB 4.35Å; L818-I828 HydrophobicContact CD2-CD1 4.16Å; L818-I828 HydrophobicContact CD2-CG2 4.34Å; L818-I828 HydrophobicContact CG-CB 4.42Å; L818-I828 HydrophobicContact CG-CD1 4.15Å; L818-I828 WeakPolarHBondContact O-CB 3.27Å; L818-I828 PolarHBondContact O-N 2.91Å; N820-I828 HydrophobicContact CB-CD1 3.47Å; N820-I828 VanDerWaalsContact CB-CD1 3.47Å; N820-I828 HydrophobicContact CB-CG1 3.65Å; N826-I828 PolarHBondContact O-N 3.36Å; I828-V872 HydrophobicContact CD1-CB 4.17Å; I828-V872 HydrophobicContact CG2-CB 4.48Å; I828-V872 WeakPolarHBondContact CG2-O 3.38Å |
| 829 | F | 83 | Confident | 79.7 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 16% | 0.158 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 131.7 | -170.3 | -176.7 | -103.7 | 0 | 0 | 0 | 109.7 | F816 R817 L818 N831 C874 V876 | F816-F829 AromaticContact CD1-CD1 3.85Å; F816-F829 HydrophobicContact CD1-CD1 3.85Å; F816-F829 HydrophobicContact CD1-CE1 4.01Å; F816-F829 AromaticContact CE1-CD1 3.88Å; F816-F829 HydrophobicContact CE1-CD1 3.88Å; F816-F829 HydrophobicContact CE1-CE1 4.25Å; R817-F829 CarbonylContact C-O 3.57Å; R817-F829 WeakPolarHBondContact CA-O 3.27Å; L818-F829 HydrophobicContact CB-CB 4.08Å; L818-F829 PolarHBondContact N-O 2.95Å; L818-F829 PolarHBondContact O-N 3.5Å; F829-N831 HydrophobicContact CD1-CB 4.22Å; F829-N831 HydrophobicContact CE1-CB 3.43Å; F829-N831 VanDerWaalsContact CE1-CB 3.43Å; F829-N831 HydrophobicContact CE2-CB 4.48Å; F829-N831 HydrophobicContact CZ-CB 3.61Å; F829-C874 HydrophobicContact CB-CB 3.89Å; F829-C874 HydrophobicContact CD1-CB 3.59Å; F829-C874 HydrophobicContact CD2-CB 3.84Å; F829-C874 WeakPolarHBondContact CD2-O 3.28Å; F829-C874 HydrophobicContact CE1-CB 3.9Å; F829-C874 HydrophobicContact CE2-CB 4.16Å; F829-C874 WeakPolarHBondContact CE2-O 3.17Å; F829-C874 HydrophobicContact CG-CB 3.52Å; F829-C874 HydrophobicContact CZ-CB 4.16Å; F829-V876 HydrophobicContact CZ-CG2 4.46Å |
| 830 | E | 84.3 | Confident | 80 | Confident | 89 Ų | 89 | 54.2 Ų | 54.2 | 42% | 0.416 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 127.6 | 171.7 | 175.3 | 169.1 | -151.5 | 0 | 0 | 107.7 | F816 R817 L827 | F816-E830 WeakPolarHBondContact O-CA 3.46Å; R817-E830 HydrophobicContact CG-CB 4.31Å; R817-E830 HydrophobicContact CG-CG 4.04Å; R817-E830 IonicContact CZ-OE1 3.82Å; R817-E830 VanDerWaalsContact CZ-OE1 3.26Å; R817-E830 IonicContact NE-OE1 3.65Å; R817-E830 PolarHBondContact NE-OE1 3.42Å; R817-E830 IonicContact NH2-OE1 2.75Å; R817-E830 PolarHBondContact NH2-OE1 2.67Å; L827-E830 HydrophobicContact CD1-CB 4.29Å; L827-E830 HydrophobicContact CD2-CB 3.98Å; L827-E830 HydrophobicContact CG-CB 4.46Å |
| 831 | N | 83.8 | Confident | 80.6 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 23% | 0.225 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 134 | 178.3 | -165.4 | -24.6 | 0 | 0 | 0 | 110.7 | F816 F829 L833 V876 | F816-N831 PolarHBondContact N-O 2.77Å; F816-N831 PolarHBondContact O-N 3.05Å; F829-N831 HydrophobicContact CD1-CB 4.22Å; F829-N831 HydrophobicContact CE1-CB 3.43Å; F829-N831 VanDerWaalsContact CE1-CB 3.43Å; F829-N831 HydrophobicContact CE2-CB 4.48Å; F829-N831 HydrophobicContact CZ-CB 3.61Å; N831-L833 WeakPolarHBondContact OD1-CD2 3.43Å; N831-V876 WeakPolarHBondContact ND2-CG2 3.18Å |
| 832 | R | 83.7 | Confident | 81.5 | Confident | 124 Ų | 124 | 54.9 Ų | 54.9 | 47% | 0.468 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 88 | 172.7 | -163.8 | 178.1 | -170.8 | -167.7 | 2.2 | 109.3 | D813 T815 S834 N835 | D813-R832 PolarHBondContact O-NE 2.75Å; D813-R832 PolarHBondContact O-NH2 2.9Å; T815-R832 HydrophobicContact CG2-CB 3.77Å; T815-R832 HydrophobicContact CG2-CG 3.72Å; R832-S834 VanDerWaalsContact C-N 3.32Å; R832-N835 PolarHBondContact NE-OD1 3.13Å; R832-N835 VanDerWaalsContact NE-OD1 3.12Å; R832-N835 PolarHBondContact NH1-OD1 3.48Å; R832-N835 PolarHBondContact NH2-OD1 2.85Å; R832-N835 VanDerWaalsContact NH2-OD1 3.12Å |
| 833 | L | 79.2 | Confident | 82.4 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -74.5 | -26.2 | -179.5 | -55.6 | 164.7 | 0 | 0 | 0 | 112.4 | N831 D858 V876 | N831-L833 WeakPolarHBondContact OD1-CD2 3.43Å; L833-D858 HydrophobicContact CD1-CB 3.97Å; L833-D858 VanDerWaalsContact CD1-OD2 3.29Å; L833-D858 WeakPolarHBondContact CD1-OD2 3.45Å; L833-V876 HydrophobicContact CD1-CG1 4.2Å; L833-V876 HydrophobicContact CD1-CG2 4.23Å; L833-V876 HydrophobicContact CD2-CB 4.47Å; L833-V876 HydrophobicContact CD2-CG1 4.11Å; L833-V876 HydrophobicContact CD2-CG2 3.67Å; L833-V876 HydrophobicContact CG-CG2 4.48Å |
| 834 | S | 82.4 | Confident | 83.5 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | trans | -155.1 | 168.1 | 171.9 | 70.2 | 0 | 0 | 0 | 0 | 110.8 | G814 R832 V836 R852 | G814-S834 WeakPolarHBondContact CA-O 3.16Å; R832-S834 VanDerWaalsContact C-N 3.32Å; S834-V836 PolarHBondContact O-N 2.93Å; S834-V836 PolarHBondContact OG-N 3.48Å; S834-R852 WeakPolarHBondContact OG-CD 3.48Å; S834-R852 VanDerWaalsContact OG-CZ 3.3Å; S834-R852 PolarHBondContact OG-NE 3.31Å; S834-R852 PolarHBondContact OG-NH1 2.92Å | ||
| 835 | N | 86 | Confident | 84.6 | Confident | 122 Ų | 122 | 48.1 Ų | 48.1 | 65% | 0.652 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -82.4 | 20.3 | 174.5 | -65.5 | -11.6 | 0 | 0 | 0 | 112.8 | D813 R832 | D813-N835 CarbonylContact O-C 3.59Å; D813-N835 WeakPolarHBondContact O-CA 3.47Å; R832-N835 PolarHBondContact NE-OD1 3.13Å; R832-N835 VanDerWaalsContact NE-OD1 3.12Å; R832-N835 PolarHBondContact NH1-OD1 3.48Å; R832-N835 PolarHBondContact NH2-OD1 2.85Å; R832-N835 VanDerWaalsContact NH2-OD1 3.12Å |
| 836 | V | 87.9 | Confident | 85.6 | Confident | 37 Ų | 37 | 51.5 Ų | 51.5 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -109.3 | 125.9 | -176.1 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | G814 S834 R852 S853 N854 | G814-V836 WeakPolarHBondContact CA-O 3.48Å; S834-V836 PolarHBondContact O-N 2.93Å; S834-V836 PolarHBondContact OG-N 3.48Å; V836-R852 HydrophobicContact CG1-CB 4.2Å; V836-R852 PolarHBondContact O-NH1 3.28Å; V836-S853 WeakPolarHBondContact CG1-OG 3.37Å; V836-N854 HydrophobicContact CG1-CB 3.86Å; V836-N854 HydrophobicContact CG2-CB 4.47Å |
| 837 | G | 87.6 | Confident | 86.3 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | trans | -56.2 | 144.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L811 S812 R852 S853 | L811-G837 WeakPolarHBondContact O-CA 3.45Å; S812-G837 WeakPolarHBondContact O-CA 3.38Å; S812-G837 PolarHBondContact O-N 2.86Å; G837-R852 WeakPolarHBondContact O-CA 3.41Å; G837-S853 PolarHBondContact O-N 2.77Å | ||
| 838 | V | 90.8 | Very high | 87 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 107 | -178.6 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | W798 S799 L811 V841 L850 A851 | W798-V838 WeakPolarHBondContact CB-O 3.3Å; S799-V838 PolarHBondContact OG-O 3.27Å; L811-V838 PolarHBondContact O-N 3.4Å; V838-V841 HydrophobicContact CG1-CG2 3.63Å; V838-L850 HydrophobicContact CG1-CB 4.07Å; V838-L850 HydrophobicContact CG1-CD2 4.44Å; V838-A851 CarbonylContact C-O 3.55Å; V838-A851 VanDerWaalsContact CA-O 3.3Å; V838-A851 WeakPolarHBondContact CA-O 3.42Å; V838-A851 WeakPolarHBondContact CG1-O 3.34Å |
| 839 | T | 89.4 | Confident | 87.8 | Confident | 35 Ų | 35 | 44.2 Ų | 44.2 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -33.8 | -173.6 | 52.3 | 0 | 0 | 0 | 0 | 113 | W798 S799 A851 | W798-T839 HydrophobicContact CE3-CG2 4.03Å; W798-T839 HydrophobicContact CZ3-CG2 4.08Å; S799-T839 WeakPolarHBondContact CB-O 3.5Å; T839-A851 PolarHBondContact N-O 2.9Å; T839-A851 PolarHBondContact OG1-O 2.86Å |
| 840 | E | 90.9 | Very high | 88.3 | Confident | 55 Ų | 55 | 42.5 Ų | 42.5 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 141.7 | 179.2 | -164.4 | 166.2 | -174.1 | 0 | 0 | 110.7 | L842 A851 L890 | E840-L842 HydrophobicContact CG-CD2 4.45Å; E840-L842 HydrophobicContact CG-CG 4.43Å; E840-A851 HydrophobicContact CB-CB 4.09Å; E840-A851 PolarHBondContact O-N 3.21Å; E840-L890 HydrophobicContact CG-CB 4.38Å; E840-L890 WeakPolarHBondContact OE2-CB 3.36Å; E840-L890 PolarHBondContact OE2-N 3.15Å |
| 841 | V | 92.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.024 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127 | 174 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | S799 T801 A808 F816 V838 V848 V849 L850 | S799-V841 WeakPolarHBondContact OG-CG2 3.45Å; T801-V841 WeakPolarHBondContact CB-O 3.31Å; T801-V841 HydrophobicContact CG2-CB 3.8Å; T801-V841 HydrophobicContact CG2-CG1 3.37Å; T801-V841 WeakPolarHBondContact CG2-O 3.38Å; A808-V841 HydrophobicContact CB-CG1 3.96Å; F816-V841 HydrophobicContact CD2-CG1 4.47Å; F816-V841 HydrophobicContact CD2-CG2 4.34Å; F816-V841 HydrophobicContact CE2-CG1 3.78Å; F816-V841 HydrophobicContact CE2-CG2 4.42Å; V838-V841 HydrophobicContact CG1-CG2 3.63Å; V841-V848 HydrophobicContact CG1-CG1 3.92Å; V841-V849 WeakPolarHBondContact CA-O 3.48Å; V841-L850 HydrophobicContact CB-CD2 4.2Å; V841-L850 HydrophobicContact CG1-CD2 3.73Å; V841-L850 HydrophobicContact CG2-CD2 3.68Å |
| 842 | L | 92.3 | Very high | 89.2 | Confident | 33 Ų | 33 | 36.4 Ų | 36.4 | 17% | 0.173 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.6 | 175 | -63.4 | 179.9 | 0 | 0 | 0 | 110.6 | E840 V848 V849 L890 V892 | E840-L842 HydrophobicContact CG-CD2 4.45Å; E840-L842 HydrophobicContact CG-CG 4.43Å; L842-V848 CarbonylContact O-C 3.49Å; L842-V848 WeakPolarHBondContact O-CA 3.48Å; L842-V848 WeakPolarHBondContact O-CG1 3.41Å; L842-V849 PolarHBondContact N-O 3.13Å; L842-V849 PolarHBondContact O-N 3.08Å; L842-L890 HydrophobicContact CD1-CB 3.83Å; L842-L890 HydrophobicContact CD1-CD2 3.5Å; L842-L890 VanDerWaalsContact CD1-CD2 3.5Å; L842-L890 HydrophobicContact CD1-CG 3.43Å; L842-L890 VanDerWaalsContact CD1-CG 3.43Å; L842-L890 HydrophobicContact CG-CD2 3.91Å; L842-L890 HydrophobicContact CG-CG 4.35Å; L842-V892 HydrophobicContact CB-CG2 4.36Å; L842-V892 HydrophobicContact CD1-CG2 3.95Å |
| 843 | M | 89.7 | Confident | 89.5 | Confident | 27 Ų | 27 | 32.1 Ų | 32.1 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 120.2 | 173 | -61.6 | -164 | -73.9 | 0 | 0 | 109.9 | T801 G802 R803 A808 L818 V848 | T801-M843 HydrophobicContact CG2-CE 4Å; T801-M843 HydrophobicContact CG2-CG 3.79Å; T801-M843 HydrophobicContact CG2-SD 4.47Å; G802-M843 VanDerWaalsContact C-CE 3.43Å; R803-M843 HydrophobicContact CB-CE 3.71Å; R803-M843 VanDerWaalsContact N-CE 3.33Å; A808-M843 HydrophobicContact CB-CE 4.31Å; A808-M843 HydrophobicContact CB-SD 4Å; L818-M843 HydrophobicContact CD1-SD 4.37Å; M843-V848 HydrophobicContact CB-CG2 4.5Å; M843-V848 HydrophobicContact CG-CB 4.42Å; M843-V848 HydrophobicContact CG-CG1 4.05Å; M843-V848 HydrophobicContact CG-CG2 3.82Å; M843-V848 HydrophobicContact SD-CG2 4.18Å |
| 844 | N | 88 | Confident | 90 | Very high | 66 Ų | 66 | 31.6 Ų | 31.6 | 35% | 0.353 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 113.6 | 172 | -175 | 27.7 | 0 | 0 | 0 | 110.4 | N846 R847 V892 N894 | N844-N846 PolarHBondContact O-N 2.85Å; N844-R847 PolarHBondContact N-O 2.78Å; N844-R847 PolarHBondContact O-N 2.87Å; N844-V892 HydrophobicContact CB-CB 4.34Å; N844-V892 HydrophobicContact CB-CG1 3.78Å; N844-V892 HydrophobicContact CB-CG2 4.32Å; N844-V892 WeakPolarHBondContact ND2-CG1 3.35Å; N844-N894 PolarHBondContact ND2-O 3.09Å |
| 845 | G | 85.3 | Confident | 90.4 | Very high | 23 Ų | 23 | 30 Ų | 30 | 24% | 0.237 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -123.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R803 | R803-G845 VanDerWaalsContact NH1-C 3.3Å; R803-G845 PolarHBondContact NH1-O 2.92Å |
| 846 | N | 88.7 | Confident | 90.8 | Very high | 81 Ų | 81 | 27 Ų | 27 | 43% | 0.433 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 4.7 | 176.9 | -65.6 | 1.7 | 0 | 0 | 0 | 112.8 | N844 E861 L862 Y864 | N844-N846 PolarHBondContact O-N 2.85Å; N846-E861 CarbonylContact O-C 3.57Å; N846-E861 VanDerWaalsContact O-CA 3.28Å; N846-E861 WeakPolarHBondContact O-CA 3.41Å; N846-L862 PolarHBondContact O-N 3.42Å; N846-Y864 WeakPolarHBondContact OD1-CE2 3.36Å |
| 847 | R | 91.3 | Very high | 91.2 | Very high | 55 Ų | 55 | 25.2 Ų | 25.2 | 21% | 0.208 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.7 | 179.8 | -66.2 | -72.8 | -167.6 | -121.7 | 5.9 | 110.1 | N844 L860 E861 I877 L911 | N844-R847 PolarHBondContact N-O 2.78Å; N844-R847 PolarHBondContact O-N 2.87Å; R847-L860 WeakPolarHBondContact CA-O 3.42Å; R847-E861 IonicContact CZ-OE2 2.88Å; R847-E861 VanDerWaalsContact NH1-CG 3.3Å; R847-E861 IonicContact NH1-OE1 3.18Å; R847-E861 IonicContact NH1-OE2 3.91Å; R847-E861 PolarHBondContact NH1-OE2 2.78Å; R847-I877 VanDerWaalsContact CZ-CD1 3.41Å; R847-I877 VanDerWaalsContact NH1-CD1 3.26Å; R847-L911 HydrophobicContact CB-CD2 3.95Å; R847-L911 HydrophobicContact CG-CD2 4.24Å; R847-L911 PolarHBondContact NE-O 3.13Å |
| 848 | V | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133.9 | 168.9 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | F816 V841 L842 M843 L850 L860 L862 | F816-V848 HydrophobicContact CE2-CG1 4.08Å; F816-V848 HydrophobicContact CZ-CG1 3.91Å; V841-V848 HydrophobicContact CG1-CG1 3.92Å; L842-V848 CarbonylContact O-C 3.49Å; L842-V848 WeakPolarHBondContact O-CA 3.48Å; L842-V848 WeakPolarHBondContact O-CG1 3.41Å; M843-V848 HydrophobicContact CB-CG2 4.5Å; M843-V848 HydrophobicContact CG-CB 4.42Å; M843-V848 HydrophobicContact CG-CG1 4.05Å; M843-V848 HydrophobicContact CG-CG2 3.82Å; M843-V848 HydrophobicContact SD-CG2 4.18Å; V848-L850 HydrophobicContact CG1-CD2 4.04Å; V848-L860 HydrophobicContact CB-CB 4.04Å; V848-L860 HydrophobicContact CB-CD1 4.24Å; V848-L860 HydrophobicContact CG1-CD1 4.2Å; V848-L860 PolarHBondContact N-O 3.47Å; V848-L860 PolarHBondContact O-N 3.22Å; V848-L862 HydrophobicContact CG2-CD1 3.88Å; V848-L862 HydrophobicContact CG2-CD2 3.96Å; V848-L862 HydrophobicContact CG2-CG 3.76Å |
| 849 | V | 94.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.4 | -179.1 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | V841 L842 L857 D858 F859 L890 V897 L911 | V841-V849 WeakPolarHBondContact CA-O 3.48Å; L842-V849 PolarHBondContact N-O 3.13Å; L842-V849 PolarHBondContact O-N 3.08Å; V849-L857 HydrophobicContact CG1-CD2 4.14Å; V849-D858 CarbonylContact C-O 3.39Å; V849-D858 VanDerWaalsContact CA-O 3.32Å; V849-D858 WeakPolarHBondContact CA-O 3.41Å; V849-F859 HydrophobicContact CG1-CD1 4.4Å; V849-F859 HydrophobicContact CG1-CE1 4.12Å; V849-F859 HydrophobicContact CG1-CZ 4.47Å; V849-F859 HydrophobicContact CG2-CD1 3.76Å; V849-F859 HydrophobicContact CG2-CE1 3.84Å; V849-L890 HydrophobicContact CG1-CD2 4.01Å; V849-V897 HydrophobicContact CG1-CG1 4.33Å; V849-V897 HydrophobicContact CG2-CG2 3.86Å; V849-L911 HydrophobicContact CG2-CD2 3.9Å |
| 850 | L | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127 | 176.2 | -45 | -178.5 | 0 | 0 | 0 | 109.5 | F816 V838 V841 V848 L857 D858 L860 | F816-L850 HydrophobicContact CB-CD1 3.73Å; F816-L850 HydrophobicContact CD1-CD1 4.49Å; F816-L850 HydrophobicContact CD2-CD1 3.91Å; F816-L850 HydrophobicContact CD2-CD2 3.31Å; F816-L850 HydrophobicContact CD2-CG 4.26Å; F816-L850 HydrophobicContact CE2-CD2 3.47Å; F816-L850 VanDerWaalsContact CE2-CD2 3.47Å; F816-L850 HydrophobicContact CG-CD1 3.79Å; F816-L850 HydrophobicContact CG-CD2 4.04Å; F816-L850 HydrophobicContact CZ-CD2 4.33Å; V838-L850 HydrophobicContact CG1-CB 4.07Å; V838-L850 HydrophobicContact CG1-CD2 4.44Å; V841-L850 HydrophobicContact CB-CD2 4.2Å; V841-L850 HydrophobicContact CG1-CD2 3.73Å; V841-L850 HydrophobicContact CG2-CD2 3.68Å; V848-L850 HydrophobicContact CG1-CD2 4.04Å; L850-L857 CarbonylContact O-C 3.57Å; L850-L857 VanDerWaalsContact O-CA 3.25Å; L850-L857 WeakPolarHBondContact O-CA 3.46Å; L850-D858 HydrophobicContact CB-CB 4.07Å; L850-D858 HydrophobicContact CD1-CB 4.22Å; L850-D858 HydrophobicContact CG-CB 4.26Å; L850-D858 PolarHBondContact N-O 2.85Å; L850-D858 PolarHBondContact O-N 3.42Å; L850-L860 HydrophobicContact CD1-CD1 3.77Å; L850-L860 HydrophobicContact CD2-CD1 4.12Å; L850-L860 HydrophobicContact CG-CD1 3.87Å |
| 851 | A | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 136.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V838 T839 E840 L857 I887 L890 | V838-A851 CarbonylContact C-O 3.55Å; V838-A851 VanDerWaalsContact CA-O 3.3Å; V838-A851 WeakPolarHBondContact CA-O 3.42Å; V838-A851 WeakPolarHBondContact CG1-O 3.34Å; T839-A851 PolarHBondContact N-O 2.9Å; T839-A851 PolarHBondContact OG1-O 2.86Å; E840-A851 HydrophobicContact CB-CB 4.09Å; E840-A851 PolarHBondContact O-N 3.21Å; A851-L857 HydrophobicContact CB-CD2 3.93Å; A851-I887 HydrophobicContact CB-CB 4.28Å; A851-I887 HydrophobicContact CB-CD1 3.96Å; A851-I887 HydrophobicContact CB-CG2 4.29Å; A851-L890 HydrophobicContact CB-CD2 4.23Å |
| 852 | R | 93.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 152.2 | 175.3 | -64.4 | -170.9 | -179.1 | -85.3 | -19.1 | 110.9 | G814 S834 V836 G837 N854 G855 F856 D858 | G814-R852 PolarHBondContact O-NH1 2.74Å; S834-R852 WeakPolarHBondContact OG-CD 3.48Å; S834-R852 VanDerWaalsContact OG-CZ 3.3Å; S834-R852 PolarHBondContact OG-NE 3.31Å; S834-R852 PolarHBondContact OG-NH1 2.92Å; V836-R852 HydrophobicContact CG1-CB 4.2Å; V836-R852 PolarHBondContact O-NH1 3.28Å; G837-R852 WeakPolarHBondContact O-CA 3.41Å; R852-N854 WeakPolarHBondContact CB-OD1 3.33Å; R852-N854 PolarHBondContact O-N 2.67Å; R852-N854 VanDerWaalsContact O-N 3.08Å; R852-G855 PolarHBondContact O-N 3.42Å; R852-F856 HydrophobicContact CB-CB 4.21Å; R852-F856 HydrophobicContact CG-CB 4.45Å; R852-F856 PolarHBondContact N-O 3.3Å; R852-D858 IonicContact CZ-OD2 3.62Å; R852-D858 IonicContact NE-OD2 2.8Å; R852-D858 PolarHBondContact NE-OD2 3.3Å; R852-D858 IonicContact NH2-OD2 3.86Å; R852-D858 PolarHBondContact NH2-OD2 3.49Å |
| 853 | S | 89.9 | Confident | 91.3 | Very high | 33 Ų | 33 | 22.5 Ų | 22.5 | 23% | 0.231 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -17.2 | -179.9 | 57.1 | 0 | 0 | 0 | 0 | 114.6 | V836 G837 G855 | V836-S853 WeakPolarHBondContact CG1-OG 3.37Å; G837-S853 PolarHBondContact O-N 2.77Å; S853-G855 VanDerWaalsContact C-N 3.33Å |
| 854 | N | 89.9 | Confident | 91 | Very high | 50 Ų | 50 | 25.6 Ų | 25.6 | 27% | 0.267 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 9.2 | 174.4 | 67.8 | -10.4 | 0 | 0 | 0 | 114.2 | V836 R852 F856 | V836-N854 HydrophobicContact CG1-CB 3.86Å; V836-N854 HydrophobicContact CG2-CB 4.47Å; R852-N854 WeakPolarHBondContact CB-OD1 3.33Å; R852-N854 PolarHBondContact O-N 2.67Å; R852-N854 VanDerWaalsContact O-N 3.08Å; N854-F856 HydrophobicContact CB-CD2 4.48Å; N854-F856 VanDerWaalsContact CG-CD2 3.45Å; N854-F856 VanDerWaalsContact ND2-CD2 3.34Å; N854-F856 WeakPolarHBondContact ND2-CD2 3.33Å; N854-F856 WeakPolarHBondContact OD1-CD2 3.31Å; N854-F856 PolarHBondContact OD1-N 3.43Å |
| 855 | G | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 88.2 | 5.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R852 S853 A882 H883 M885 | R852-G855 PolarHBondContact O-N 3.42Å; S853-G855 VanDerWaalsContact C-N 3.33Å; G855-A882 CarbonylContact O-C 3.55Å; G855-A882 PolarHBondContact O-N 2.83Å; G855-H883 PolarHBondContact O-N 3.07Å; G855-M885 WeakPolarHBondContact CA-O 3.33Å |
| 856 | F | 94.6 | Very high | 89.5 | Confident | 57 Ų | 57 | 29.8 Ų | 29.8 | 25% | 0.25 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 143.4 | 176.9 | -80.7 | -109.7 | 0 | 0 | 0 | 112.2 | R852 N854 I880 R881 | R852-F856 HydrophobicContact CB-CB 4.21Å; R852-F856 HydrophobicContact CG-CB 4.45Å; R852-F856 PolarHBondContact N-O 3.3Å; N854-F856 HydrophobicContact CB-CD2 4.48Å; N854-F856 VanDerWaalsContact CG-CD2 3.45Å; N854-F856 VanDerWaalsContact ND2-CD2 3.34Å; N854-F856 WeakPolarHBondContact ND2-CD2 3.33Å; N854-F856 WeakPolarHBondContact OD1-CD2 3.31Å; N854-F856 PolarHBondContact OD1-N 3.43Å; F856-I880 CarbonylContact C-O 3.58Å; F856-I880 VanDerWaalsContact CA-O 3.3Å; F856-I880 WeakPolarHBondContact CA-O 3.43Å; F856-R881 HydrophobicContact CD1-CB 4.21Å; F856-R881 HydrophobicContact CD2-CB 4.22Å; F856-R881 HydrophobicContact CD2-CG 4.04Å; F856-R881 HydrophobicContact CE1-CB 3.84Å; F856-R881 HydrophobicContact CE2-CB 3.87Å; F856-R881 HydrophobicContact CE2-CG 3.73Å; F856-R881 HydrophobicContact CG-CB 4.4Å; F856-R881 HydrophobicContact CZ-CB 3.68Å; F856-R881 HydrophobicContact CZ-CG 4.05Å |
| 857 | L | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 120.3 | 166 | -70 | 179.1 | 0 | 0 | 0 | 109.3 | V849 L850 A851 F859 I880 A882 I887 L890 | V849-L857 HydrophobicContact CG1-CD2 4.14Å; L850-L857 CarbonylContact O-C 3.57Å; L850-L857 VanDerWaalsContact O-CA 3.25Å; L850-L857 WeakPolarHBondContact O-CA 3.46Å; A851-L857 HydrophobicContact CB-CD2 3.93Å; L857-F859 HydrophobicContact CB-CE2 3.9Å; L857-F859 HydrophobicContact CB-CZ 4.27Å; L857-F859 HydrophobicContact CD1-CZ 4.4Å; L857-I880 PolarHBondContact N-O 2.75Å; L857-I880 PolarHBondContact O-N 2.91Å; L857-A882 HydrophobicContact CB-CB 4.26Å; L857-A882 HydrophobicContact CD1-CB 3.57Å; L857-A882 HydrophobicContact CG-CB 3.66Å; L857-I887 HydrophobicContact CD2-CD1 3.66Å; L857-I887 HydrophobicContact CG-CD1 3.95Å; L857-L890 HydrophobicContact CD1-CD1 4.39Å; L857-L890 HydrophobicContact CD2-CD1 3.84Å; L857-L890 HydrophobicContact CD2-CD2 4.23Å |
| 858 | D | 93.8 | Very high | 86.1 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.8 | 172.3 | -57.8 | -35.2 | 0 | 0 | 0 | 110 | L833 V849 L850 R852 S879 | L833-D858 HydrophobicContact CD1-CB 3.97Å; L833-D858 VanDerWaalsContact CD1-OD2 3.29Å; L833-D858 WeakPolarHBondContact CD1-OD2 3.45Å; V849-D858 CarbonylContact C-O 3.39Å; V849-D858 VanDerWaalsContact CA-O 3.32Å; V849-D858 WeakPolarHBondContact CA-O 3.41Å; L850-D858 HydrophobicContact CB-CB 4.07Å; L850-D858 HydrophobicContact CD1-CB 4.22Å; L850-D858 HydrophobicContact CG-CB 4.26Å; L850-D858 PolarHBondContact N-O 2.85Å; L850-D858 PolarHBondContact O-N 3.42Å; R852-D858 IonicContact CZ-OD2 3.62Å; R852-D858 IonicContact NE-OD2 2.8Å; R852-D858 PolarHBondContact NE-OD2 3.3Å; R852-D858 IonicContact NH2-OD2 3.86Å; R852-D858 PolarHBondContact NH2-OD2 3.49Å; D858-S879 WeakPolarHBondContact OD1-CB 3.13Å; D858-S879 PolarHBondContact OD1-OG 2.79Å |
| 859 | F | 94.4 | Very high | 84.1 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124 | 175.4 | -62.8 | -91.7 | 0 | 0 | 0 | 109.4 | V849 L857 I877 R878 I880 V897 C909 L911 C914 | V849-F859 HydrophobicContact CG1-CD1 4.4Å; V849-F859 HydrophobicContact CG1-CE1 4.12Å; V849-F859 HydrophobicContact CG1-CZ 4.47Å; V849-F859 HydrophobicContact CG2-CD1 3.76Å; V849-F859 HydrophobicContact CG2-CE1 3.84Å; L857-F859 HydrophobicContact CB-CE2 3.9Å; L857-F859 HydrophobicContact CB-CZ 4.27Å; L857-F859 HydrophobicContact CD1-CZ 4.4Å; F859-I877 WeakPolarHBondContact O-CB 3.21Å; F859-I877 PolarHBondContact O-N 3.44Å; F859-R878 PolarHBondContact N-O 2.84Å; F859-R878 PolarHBondContact O-N 3Å; F859-I880 HydrophobicContact CD2-CD1 4Å; F859-I880 HydrophobicContact CD2-CG1 4.48Å; F859-I880 HydrophobicContact CE2-CD1 3.65Å; F859-I880 HydrophobicContact CE2-CG1 4.35Å; F859-V897 HydrophobicContact CE1-CG2 3.95Å; F859-C909 HydrophobicContact CE1-CB 4.43Å; F859-C909 HydrophobicContact CZ-CB 3.73Å; F859-L911 HydrophobicContact CE1-CD2 4.47Å; F859-C914 HydrophobicContact CB-CB 3.93Å; F859-C914 HydrophobicContact CD1-CB 4.29Å; F859-C914 HydrophobicContact CD2-CB 4.01Å; F859-C914 HydrophobicContact CG-CB 3.81Å |
| 860 | L | 93 | Very high | 82.4 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 156.8 | -179.8 | -59.1 | 165.4 | 0 | 0 | 0 | 109.3 | F816 R847 V848 L850 R875 V876 | F816-L860 HydrophobicContact CD1-CD1 3.85Å; F816-L860 HydrophobicContact CE1-CD1 3.67Å; F816-L860 HydrophobicContact CG-CD1 4.36Å; F816-L860 HydrophobicContact CZ-CD1 4.02Å; R847-L860 WeakPolarHBondContact CA-O 3.42Å; V848-L860 HydrophobicContact CB-CB 4.04Å; V848-L860 HydrophobicContact CB-CD1 4.24Å; V848-L860 HydrophobicContact CG1-CD1 4.2Å; V848-L860 PolarHBondContact N-O 3.47Å; V848-L860 PolarHBondContact O-N 3.22Å; L850-L860 HydrophobicContact CD1-CD1 3.77Å; L850-L860 HydrophobicContact CD2-CD1 4.12Å; L850-L860 HydrophobicContact CG-CD1 3.87Å; L860-R875 CarbonylContact C-O 3.59Å; L860-R875 VanDerWaalsContact CA-O 3.26Å; L860-R875 WeakPolarHBondContact CA-O 3.34Å; L860-V876 HydrophobicContact CD2-CB 3.82Å; L860-V876 HydrophobicContact CD2-CG1 4.08Å; L860-V876 HydrophobicContact CD2-CG2 3.35Å |
| 861 | E | 90.6 | Very high | 81.1 | Confident | 34 Ų | 34 | 49 Ų | 49 | 16% | 0.159 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.5 | 173.7 | -174.8 | 173.9 | 170.8 | 0 | 0 | 111.2 | N846 R847 C874 R875 I877 | N846-E861 CarbonylContact O-C 3.57Å; N846-E861 VanDerWaalsContact O-CA 3.28Å; N846-E861 WeakPolarHBondContact O-CA 3.41Å; R847-E861 IonicContact CZ-OE2 2.88Å; R847-E861 VanDerWaalsContact NH1-CG 3.3Å; R847-E861 IonicContact NH1-OE1 3.18Å; R847-E861 IonicContact NH1-OE2 3.91Å; R847-E861 PolarHBondContact NH1-OE2 2.78Å; E861-C874 CarbonylContact O-C 3.37Å; E861-C874 WeakPolarHBondContact O-CA 3.42Å; E861-R875 HydrophobicContact CB-CG 3.8Å; E861-R875 PolarHBondContact N-O 3.47Å; E861-R875 PolarHBondContact O-N 3.3Å; E861-R875 IonicContact OE1-CZ 2.7Å; E861-R875 IonicContact OE1-NH2 3.76Å; E861-R875 PolarHBondContact OE1-NH2 3.09Å; E861-R875 IonicContact OE2-CZ 2.79Å; E861-R875 IonicContact OE2-NE 2.73Å; E861-R875 PolarHBondContact OE2-NE 3.05Å; E861-R875 IonicContact OE2-NH2 3.91Å; E861-R875 PolarHBondContact OE2-NH2 3.04Å; E861-I877 HydrophobicContact CB-CD1 3.84Å; E861-I877 HydrophobicContact CB-CG1 3.93Å |
| 862 | L | 89.4 | Confident | 80.3 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 110.9 | 168.7 | -59.9 | 174.2 | 0 | 0 | 0 | 108.8 | L806 L818 N846 V848 Y864 V872 T873 C874 | L806-L862 HydrophobicContact CD1-CD1 3.94Å; L818-L862 HydrophobicContact CD2-CD2 3.5Å; L818-L862 VanDerWaalsContact CD2-CD2 3.5Å; N846-L862 PolarHBondContact O-N 3.42Å; V848-L862 HydrophobicContact CG2-CD1 3.88Å; V848-L862 HydrophobicContact CG2-CD2 3.96Å; V848-L862 HydrophobicContact CG2-CG 3.76Å; L862-Y864 HydrophobicContact CB-CE2 3.79Å; L862-V872 HydrophobicContact CB-CG1 4.3Å; L862-V872 HydrophobicContact CD2-CG1 4.19Å; L862-T873 CarbonylContact C-O 3.59Å; L862-T873 WeakPolarHBondContact CA-O 3.48Å; L862-C874 HydrophobicContact CD2-CB 4.22Å |
| 863 | C | 85.4 | Confident | 79.8 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.7 | 174.6 | -63.1 | 0 | 0 | 0 | 0 | 109 | T873 | C863-T873 WeakPolarHBondContact CB-OG1 3.46Å; C863-T873 PolarHBondContact N-O 3.11Å; C863-T873 PolarHBondContact O-N 2.76Å; C863-T873 PolarHBondContact O-OG1 2.83Å |
| 864 | Y | 83 | Confident | 79.7 | Confident | 92 Ų | 92 | 52 Ų | 52 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.4 | 176.4 | -62.6 | -93.4 | 0 | 0 | 0 | 109 | L806 N846 L862 V872 | L806-Y864 HydrophobicContact CD1-CE1 4.42Å; N846-Y864 WeakPolarHBondContact OD1-CE2 3.36Å; L862-Y864 HydrophobicContact CB-CE2 3.79Å; Y864-V872 HydrophobicContact CD1-CB 4.46Å; Y864-V872 HydrophobicContact CD1-CG1 4.32Å; Y864-V872 HydrophobicContact CD1-CG2 3.62Å; Y864-V872 HydrophobicContact CE1-CB 4.45Å; Y864-V872 HydrophobicContact CE1-CG1 4.06Å; Y864-V872 HydrophobicContact CE1-CG2 3.57Å |
| 865 | S | 76 | Confident | 79.6 | Confident | 49 Ų | 49 | 56 Ų | 56 | 34% | 0.343 | 32% | 0.316 | S | S | . | . | trans | -68.5 | 136.4 | 170.9 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | S867 S871 | S865-S867 PolarHBondContact O-N 3.01Å; S865-S867 PolarHBondContact OG-N 2.84Å; S865-S867 PolarHBondContact OG-OG 3.48Å; S865-S871 WeakPolarHBondContact CB-O 3.16Å; S865-S871 WeakPolarHBondContact CB-OG 3.4Å; S865-S871 PolarHBondContact N-O 3Å | ||
| 866 | S | 66.9 | Low | 79.5 | Confident | 128 Ų | 128 | 58.7 Ų | 58.7 | 90% | 0.895 | 33% | 0.332 | S | S | * | . | trans | -72.7 | -6.9 | 176.4 | -174.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 867 | S | 55 | Low | 79.3 | Confident | 57 Ų | 57 | 59.1 Ų | 59.1 | 40% | 0.399 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -66.4 | 153.2 | 177.9 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | S865 L869 K870 | S865-S867 PolarHBondContact O-N 3.01Å; S865-S867 PolarHBondContact OG-N 2.84Å; S865-S867 PolarHBondContact OG-OG 3.48Å; S867-L869 CarbonylContact O-C 3.58Å; S867-L869 PolarHBondContact O-N 3.23Å; S867-L869 VanDerWaalsContact O-O 3.05Å; S867-L869 PolarHBondContact OG-O 2.86Å; S867-K870 PolarHBondContact O-N 2.93Å |
| 868 | A | 52.6 | Low | 79.2 | Confident | 116 Ų | 116 | 65.2 Ų | 65.2 | 96% | 0.959 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -53 | -30.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K870 | A868-K870 PolarHBondContact O-N 2.86Š|
| 869 | L | 49.5 | Very low | 79.1 | Confident | 145 Ų | 145 | 68 Ų | 68 | 76% | 0.759 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -81.1 | 102.6 | 160.5 | -71.2 | 141.7 | 0 | 0 | 0 | 107.4 | S867 S871 | S867-L869 CarbonylContact O-C 3.58Å; S867-L869 PolarHBondContact O-N 3.23Å; S867-L869 VanDerWaalsContact O-O 3.05Å; S867-L869 PolarHBondContact OG-O 2.86Å; L869-S871 PolarHBondContact O-N 2.76Å |
| 870 | K | 58.9 | Low | 79 | Confident | 165 Ų | 165 | 69.2 Ų | 69.2 | 72% | 0.717 | 39% | 0.386 | S | S | * | . | trans | -65.6 | 73.5 | 172 | -70.6 | -177.9 | 179.5 | 176.6 | 0 | 109.8 | S867 A868 V872 | S867-K870 PolarHBondContact O-N 2.93Å; A868-K870 PolarHBondContact O-N 2.86Å; K870-V872 PolarHBondContact O-N 2.77Å | ||
| 871 | S | 67 | Low | 79 | Confident | 59 Ų | 59 | 75.9 Ų | 75.9 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | trans | -71.8 | 116.8 | 168.3 | 62.5 | 0 | 0 | 0 | 0 | 107.6 | S865 L869 | S865-S871 WeakPolarHBondContact CB-O 3.16Å; S865-S871 WeakPolarHBondContact CB-OG 3.4Å; S865-S871 PolarHBondContact N-O 3Å; L869-S871 PolarHBondContact O-N 2.76Å | ||
| 872 | V | 77.5 | Confident | 79.1 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 135 | 169 | -171.9 | 0 | 0 | 0 | 0 | 106.6 | L806 I828 L862 Y864 K870 | L806-V872 HydrophobicContact CD1-CG1 4.15Å; L806-V872 HydrophobicContact CD1-CG2 4.47Å; L806-V872 HydrophobicContact CD2-CB 4.41Å; L806-V872 HydrophobicContact CD2-CG1 4.45Å; L806-V872 HydrophobicContact CD2-CG2 4.18Å; I828-V872 HydrophobicContact CD1-CB 4.17Å; I828-V872 HydrophobicContact CG2-CB 4.48Å; I828-V872 WeakPolarHBondContact CG2-O 3.38Å; L862-V872 HydrophobicContact CB-CG1 4.3Å; L862-V872 HydrophobicContact CD2-CG1 4.19Å; Y864-V872 HydrophobicContact CD1-CB 4.46Å; Y864-V872 HydrophobicContact CD1-CG1 4.32Å; Y864-V872 HydrophobicContact CD1-CG2 3.62Å; Y864-V872 HydrophobicContact CE1-CB 4.45Å; Y864-V872 HydrophobicContact CE1-CG1 4.06Å; Y864-V872 HydrophobicContact CE1-CG2 3.57Å; K870-V872 PolarHBondContact O-N 2.77Å |
| 873 | T | 82.9 | Confident | 79.3 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 49% | 0.485 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 160 | 165.3 | 58.4 | 0 | 0 | 0 | 0 | 108 | L862 C863 | L862-T873 CarbonylContact C-O 3.59Å; L862-T873 WeakPolarHBondContact CA-O 3.48Å; C863-T873 WeakPolarHBondContact CB-OG1 3.46Å; C863-T873 PolarHBondContact N-O 3.11Å; C863-T873 PolarHBondContact O-N 2.76Å; C863-T873 PolarHBondContact O-OG1 2.83Å |
| 874 | C | 86.3 | Confident | 79.6 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 7% | 0.068 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.9 | 176.1 | -169.6 | 0 | 0 | 0 | 0 | 108.5 | L818 F829 E861 L862 | L818-C874 HydrophobicContact CD2-CB 4.25Å; F829-C874 HydrophobicContact CB-CB 3.89Å; F829-C874 HydrophobicContact CD1-CB 3.59Å; F829-C874 HydrophobicContact CD2-CB 3.84Å; F829-C874 WeakPolarHBondContact CD2-O 3.28Å; F829-C874 HydrophobicContact CE1-CB 3.9Å; F829-C874 HydrophobicContact CE2-CB 4.16Å; F829-C874 WeakPolarHBondContact CE2-O 3.17Å; F829-C874 HydrophobicContact CG-CB 3.52Å; F829-C874 HydrophobicContact CZ-CB 4.16Å; E861-C874 CarbonylContact O-C 3.37Å; E861-C874 WeakPolarHBondContact O-CA 3.42Å; L862-C874 HydrophobicContact CD2-CB 4.22Å |
| 875 | R | 88.8 | Confident | 80.1 | Confident | 134 Ų | 134 | 76.4 Ų | 76.4 | 51% | 0.506 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.1 | 174.8 | 67.6 | 175.3 | -176.1 | -177.7 | -3.6 | 110.2 | L860 E861 | L860-R875 CarbonylContact C-O 3.59Å; L860-R875 VanDerWaalsContact CA-O 3.26Å; L860-R875 WeakPolarHBondContact CA-O 3.34Å; E861-R875 HydrophobicContact CB-CG 3.8Å; E861-R875 PolarHBondContact N-O 3.47Å; E861-R875 PolarHBondContact O-N 3.3Å; E861-R875 IonicContact OE1-CZ 2.7Å; E861-R875 IonicContact OE1-NH2 3.76Å; E861-R875 PolarHBondContact OE1-NH2 3.09Å; E861-R875 IonicContact OE2-CZ 2.79Å; E861-R875 IonicContact OE2-NE 2.73Å; E861-R875 PolarHBondContact OE2-NE 3.05Å; E861-R875 IonicContact OE2-NH2 3.91Å; E861-R875 PolarHBondContact OE2-NH2 3.04Å |
| 876 | V | 89.4 | Confident | 80.8 | Confident | 55 Ų | 55 | 77.2 Ų | 77.2 | 33% | 0.333 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 124 | 174.9 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | F829 N831 L833 L860 | F829-V876 HydrophobicContact CZ-CG2 4.46Å; N831-V876 WeakPolarHBondContact ND2-CG2 3.18Å; L833-V876 HydrophobicContact CD1-CG1 4.2Å; L833-V876 HydrophobicContact CD1-CG2 4.23Å; L833-V876 HydrophobicContact CD2-CB 4.47Å; L833-V876 HydrophobicContact CD2-CG1 4.11Å; L833-V876 HydrophobicContact CD2-CG2 3.67Å; L833-V876 HydrophobicContact CG-CG2 4.48Å; L860-V876 HydrophobicContact CD2-CB 3.82Å; L860-V876 HydrophobicContact CD2-CG1 4.08Å; L860-V876 HydrophobicContact CD2-CG2 3.35Å |
| 877 | I | 90.7 | Very high | 82 | Confident | 67 Ų | 67 | 71.3 Ų | 71.3 | 34% | 0.344 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -55.7 | 177.3 | -47.9 | 172 | 0 | 0 | 0 | 108.7 | R847 F859 E861 | R847-I877 VanDerWaalsContact CZ-CD1 3.41Å; R847-I877 VanDerWaalsContact NH1-CD1 3.26Å; F859-I877 WeakPolarHBondContact O-CB 3.21Å; F859-I877 PolarHBondContact O-N 3.44Å; E861-I877 HydrophobicContact CB-CD1 3.84Å; E861-I877 HydrophobicContact CB-CG1 3.93Å |
| 878 | R | 92 | Very high | 83.7 | Confident | 128 Ų | 128 | 70.9 Ų | 70.9 | 48% | 0.483 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 141.8 | -170.5 | -160.6 | 169.5 | -179.3 | 154.4 | 2.7 | 112 | F859 I880 C914 T915 | F859-R878 PolarHBondContact N-O 2.84Å; F859-R878 PolarHBondContact O-N 3Å; R878-I880 HydrophobicContact CG-CD1 4.46Å; R878-I880 HydrophobicContact CG-CG1 3.96Å; R878-C914 HydrophobicContact CB-CB 4.22Å; R878-C914 VanDerWaalsContact CD-O 3.31Å; R878-C914 WeakPolarHBondContact CD-O 3.42Å; R878-T915 VanDerWaalsContact NH1-CG2 3.31Å |
| 879 | S | 91.6 | Very high | 85.5 | Confident | 59 Ų | 59 | 66 Ų | 66 | 41% | 0.413 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 131.8 | 168.8 | -67.3 | 0 | 0 | 0 | 0 | 109.1 | D858 | D858-S879 WeakPolarHBondContact OD1-CB 3.13Å; D858-S879 PolarHBondContact OD1-OG 2.79Å |
| 880 | I | 93.4 | Very high | 87.6 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.9 | -176 | -48.9 | 170.3 | 0 | 0 | 0 | 108.9 | F856 L857 F859 R878 A882 C914 V916 | F856-I880 CarbonylContact C-O 3.58Å; F856-I880 VanDerWaalsContact CA-O 3.3Å; F856-I880 WeakPolarHBondContact CA-O 3.43Å; L857-I880 PolarHBondContact N-O 2.75Å; L857-I880 PolarHBondContact O-N 2.91Å; F859-I880 HydrophobicContact CD2-CD1 4Å; F859-I880 HydrophobicContact CD2-CG1 4.48Å; F859-I880 HydrophobicContact CE2-CD1 3.65Å; F859-I880 HydrophobicContact CE2-CG1 4.35Å; R878-I880 HydrophobicContact CG-CD1 4.46Å; R878-I880 HydrophobicContact CG-CG1 3.96Å; I880-A882 PolarHBondContact O-N 3.24Å; I880-C914 WeakPolarHBondContact CD1-O 3.48Å; I880-V916 HydrophobicContact CG2-CG2 4.1Å |
| 881 | R | 92.8 | Very high | 89.3 | Confident | 141 Ų | 141 | 54.7 Ų | 54.7 | 53% | 0.532 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 94.6 | 165.9 | -168.3 | 170.1 | -172.3 | 146.1 | 0.8 | 109.1 | F856 H883 A884 | F856-R881 HydrophobicContact CD1-CB 4.21Å; F856-R881 HydrophobicContact CD2-CB 4.22Å; F856-R881 HydrophobicContact CD2-CG 4.04Å; F856-R881 HydrophobicContact CE1-CB 3.84Å; F856-R881 HydrophobicContact CE2-CB 3.87Å; F856-R881 HydrophobicContact CE2-CG 3.73Å; F856-R881 HydrophobicContact CG-CB 4.4Å; F856-R881 HydrophobicContact CZ-CB 3.68Å; F856-R881 HydrophobicContact CZ-CG 4.05Å; R881-H883 WeakPolarHBondContact CG-O 3.36Å; R881-H883 PolarHBondContact NE-O 3.04Å; R881-A884 PolarHBondContact NH2-O 2.89Å; R881-A884 VanDerWaalsContact NH2-O 3.08Å |
| 882 | A | 91.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.017 | 27% | 0.271 | C | S | . | . | trans | -73.2 | -65.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | G855 L857 I880 K907 | G855-A882 CarbonylContact O-C 3.55Å; G855-A882 PolarHBondContact O-N 2.83Å; L857-A882 HydrophobicContact CB-CB 4.26Å; L857-A882 HydrophobicContact CD1-CB 3.57Å; L857-A882 HydrophobicContact CG-CB 3.66Å; I880-A882 PolarHBondContact O-N 3.24Å; A882-K907 HydrophobicContact CB-CD 4.17Å; A882-K907 WeakPolarHBondContact O-CD 3.16Å; A882-K907 WeakPolarHBondContact O-CE 3.48Å; A882-K907 PolarHBondContact O-NZ 2.91Å | ||
| 883 | H | 93.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | trans | -99.9 | 155 | -175.6 | -68.5 | -88.4 | 0 | 0 | 0 | 112.6 | G855 R881 M885 I887 S899 D903 T905 | G855-H883 PolarHBondContact O-N 3.07Å; R881-H883 WeakPolarHBondContact CG-O 3.36Å; R881-H883 PolarHBondContact NE-O 3.04Å; H883-M885 VanDerWaalsContact C-N 3.35Å; H883-M885 WeakPolarHBondContact CB-O 3.48Å; H883-I887 HydrophobicContact CB-CG1 4.12Å; H883-S899 PolarHBondContact CD2-OG 2.78Å; H883-S899 WeakPolarHBondContact NE2-CB 3.36Å; H883-S899 PolarHBondContact NE2-O 2.76Å; H883-S899 PolarHBondContact NE2-OG 2.86Å; H883-D903 VanDerWaalsContact CA-OD2 3.26Å; H883-D903 WeakPolarHBondContact CA-OD2 3.42Å; H883-D903 WeakPolarHBondContact CB-OD2 3.36Å; H883-D903 IonicContact CE1-OD1 2.69Å; H883-D903 IonicContact CG-OD1 3.07Å; H883-D903 IonicContact CG-OD2 3.84Å; H883-D903 IonicContact ND1-OD1 2.66Å; H883-D903 PolarHBondContact ND1-OD1 3.12Å; H883-D903 IonicContact ND1-OD2 3.18Å; H883-D903 PolarHBondContact ND1-OD2 2.82Å; H883-T905 PolarHBondContact CE1-O 3.48Å; H883-T905 PolarHBondContact ND1-OG1 3.07Å | ||
| 884 | A | 91.8 | Very high | 91.3 | Very high | 53 Ų | 53 | 53.4 Ų | 53.4 | 44% | 0.438 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -75.2 | -31.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R881 D903 | R881-A884 PolarHBondContact NH2-O 2.89Å; R881-A884 VanDerWaalsContact NH2-O 3.08Å; A884-D903 HydrophobicContact CB-CB 4.1Å; A884-D903 PolarHBondContact N-OD2 2.74Å |
| 885 | M | 92.5 | Very high | 91.3 | Very high | 116 Ų | 116 | 58 Ų | 58 | 57% | 0.571 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -120.8 | -169 | -178.6 | -62.6 | -63.7 | 168.8 | 0 | 0 | 110.8 | G855 H883 D902 D903 | G855-M885 WeakPolarHBondContact CA-O 3.33Å; H883-M885 VanDerWaalsContact C-N 3.35Å; H883-M885 WeakPolarHBondContact CB-O 3.48Å; M885-D902 HydrophobicContact CB-CB 3.66Å; M885-D903 HydrophobicContact CB-CB 4.27Å; M885-D903 HydrophobicContact CG-CB 4.31Å |
| 886 | L | 90.8 | Very high | 91.5 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | trans | -61.6 | 146.4 | -177 | -154.8 | 123.7 | 0 | 0 | 0 | 112 | N888 G901 D902 | L886-N888 WeakPolarHBondContact CD2-OD1 3.29Å; L886-G901 CarbonylContact O-C 3.58Å; L886-G901 WeakPolarHBondContact O-CA 3.25Å; L886-D902 PolarHBondContact O-N 3.27Å | ||
| 887 | I | 93.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 118.7 | 174.9 | -56.8 | 174.2 | 0 | 0 | 0 | 107.2 | A851 L857 H883 | A851-I887 HydrophobicContact CB-CB 4.28Å; A851-I887 HydrophobicContact CB-CD1 3.96Å; A851-I887 HydrophobicContact CB-CG2 4.29Å; L857-I887 HydrophobicContact CD2-CD1 3.66Å; L857-I887 HydrophobicContact CG-CD1 3.95Å; H883-I887 HydrophobicContact CB-CG1 4.12Å |
| 888 | N | 91.1 | Very high | 92 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -31.1 | -175.2 | -65.1 | -26.2 | 0 | 0 | 0 | 112.7 | L886 G900 D902 V927 | L886-N888 WeakPolarHBondContact CD2-OD1 3.29Å; N888-G900 PolarHBondContact N-O 2.89Å; N888-D902 PolarHBondContact ND2-OD1 3.27Å; N888-D902 PolarHBondContact OD1-OD1 3.21Å; N888-V927 VanDerWaalsContact CB-O 3.23Å; N888-V927 WeakPolarHBondContact CB-O 3.28Å; N888-V927 PolarHBondContact ND2-O 2.87Å |
| 889 | C | 90.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 9% | 0.088 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 139.9 | -179.3 | 55.4 | 0 | 0 | 0 | 0 | 111 | S899 G900 L930 | C889-S899 CarbonylContact O-C 3.47Å; C889-S899 WeakPolarHBondContact O-CA 3.15Å; C889-G900 PolarHBondContact N-O 3.14Å; C889-G900 PolarHBondContact O-N 2.68Å; C889-L930 HydrophobicContact CB-CB 4.03Å |
| 890 | L | 93.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 132.7 | 176.8 | -165.7 | 71 | 0 | 0 | 0 | 109.1 | E840 L842 V849 A851 L857 V897 V898 S899 | E840-L890 HydrophobicContact CG-CB 4.38Å; E840-L890 WeakPolarHBondContact OE2-CB 3.36Å; E840-L890 PolarHBondContact OE2-N 3.15Å; L842-L890 HydrophobicContact CD1-CB 3.83Å; L842-L890 HydrophobicContact CD1-CD2 3.5Å; L842-L890 VanDerWaalsContact CD1-CD2 3.5Å; L842-L890 HydrophobicContact CD1-CG 3.43Å; L842-L890 VanDerWaalsContact CD1-CG 3.43Å; L842-L890 HydrophobicContact CG-CD2 3.91Å; L842-L890 HydrophobicContact CG-CG 4.35Å; V849-L890 HydrophobicContact CG1-CD2 4.01Å; A851-L890 HydrophobicContact CB-CD2 4.23Å; L857-L890 HydrophobicContact CD1-CD1 4.39Å; L857-L890 HydrophobicContact CD2-CD1 3.84Å; L857-L890 HydrophobicContact CD2-CD2 4.23Å; L890-V897 HydrophobicContact CD1-CG1 3.48Å; L890-V897 VanDerWaalsContact CD1-CG1 3.48Å; L890-V897 HydrophobicContact CG-CG1 3.99Å; L890-V898 WeakPolarHBondContact CA-O 3.41Å; L890-S899 VanDerWaalsContact CD1-CB 3.46Å |
| 891 | Q | 93.5 | Very high | 92.3 | Very high | 70 Ų | 70 | 36.2 Ų | 36.2 | 33% | 0.327 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 160 | 168.8 | -73.4 | -165.8 | -12 | 0 | 0 | 111 | V898 L930 T932 | Q891-V898 PolarHBondContact N-O 3.39Å; Q891-V898 PolarHBondContact O-N 2.97Å; Q891-L930 HydrophobicContact CB-CD2 3.58Å; Q891-L930 HydrophobicContact CB-CG 4.31Å; Q891-L930 HydrophobicContact CG-CD2 3.94Å; Q891-L930 HydrophobicContact CG-CG 4.4Å; Q891-L930 PolarHBondContact NE2-O 3.13Å; Q891-T932 HydrophobicContact CB-CG2 3.86Å; Q891-T932 PolarHBondContact OE1-OG1 3.21Å |
| 892 | V | 91.7 | Very high | 92.3 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 22% | 0.218 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.8 | 176 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | L842 N844 F896 V897 L911 | L842-V892 HydrophobicContact CB-CG2 4.36Å; L842-V892 HydrophobicContact CD1-CG2 3.95Å; N844-V892 HydrophobicContact CB-CB 4.34Å; N844-V892 HydrophobicContact CB-CG1 3.78Å; N844-V892 HydrophobicContact CB-CG2 4.32Å; N844-V892 WeakPolarHBondContact ND2-CG1 3.35Å; V892-F896 CarbonylContact C-O 3.55Å; V892-F896 WeakPolarHBondContact CA-O 3.42Å; V892-V897 HydrophobicContact CG2-CG2 4.25Å; V892-L911 HydrophobicContact CG1-CD1 3.57Å |
| 893 | C | 90.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 102.9 | 175.2 | -168.7 | 0 | 0 | 0 | 0 | 108.7 | D895 F896 T932 P935 L952 | C893-D895 PolarHBondContact O-N 2.83Å; C893-F896 PolarHBondContact N-O 3.26Å; C893-F896 PolarHBondContact O-N 3.09Å; C893-T932 HydrophobicContact CB-CG2 3.84Å; C893-P935 PolarHBondContact SG-O 2.99Å; C893-L952 HydrophobicContact CB-CD1 3.8Å |
| 894 | N | 87.4 | Confident | 92.4 | Very high | 85 Ų | 85 | 41 Ų | 41 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | -110.5 | -173.3 | -70.2 | -13.1 | 0 | 0 | 0 | 112.5 | N844 L911 P935 | N844-N894 PolarHBondContact ND2-O 3.09Å; N894-L911 WeakPolarHBondContact O-CD1 3.49Å; N894-P935 VanDerWaalsContact ND2-CA 3.3Å; N894-P935 WeakPolarHBondContact ND2-CA 3.38Å; N894-P935 WeakPolarHBondContact ND2-CB 3.15Å |
| 895 | D | 87.7 | Confident | 92.6 | Very high | 107 Ų | 107 | 39.1 Ų | 39.1 | 57% | 0.572 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | 1.2 | -179.3 | -67.1 | -26.5 | 0 | 0 | 0 | 112.7 | C893 L911 | C893-D895 PolarHBondContact O-N 2.83Å; D895-L911 VanDerWaalsContact O-CB 3.28Å; D895-L911 WeakPolarHBondContact O-CB 3.34Å; D895-L911 PolarHBondContact O-N 3.01Å |
| 896 | F | 93 | Very high | 92.7 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 5% | 0.053 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136.5 | 179 | -60.3 | -63.1 | 0 | 0 | 0 | 112 | V892 C893 V908 C909 D910 L952 N953 | V892-F896 CarbonylContact C-O 3.55Å; V892-F896 WeakPolarHBondContact CA-O 3.42Å; C893-F896 PolarHBondContact N-O 3.26Å; C893-F896 PolarHBondContact O-N 3.09Å; F896-V908 HydrophobicContact CB-CG1 3.93Å; F896-V908 HydrophobicContact CD1-CG1 3.72Å; F896-V908 HydrophobicContact CG-CG1 3.95Å; F896-C909 CarbonylContact C-O 3.58Å; F896-C909 WeakPolarHBondContact CA-O 3.41Å; F896-D910 HydrophobicContact CD1-CB 4.49Å; F896-D910 HydrophobicContact CE1-CB 4.49Å; F896-L952 HydrophobicContact CB-CD1 4.29Å; F896-L952 HydrophobicContact CD2-CB 3.9Å; F896-L952 HydrophobicContact CD2-CD1 4.29Å; F896-L952 HydrophobicContact CE2-CB 4.26Å; F896-L952 HydrophobicContact CG-CB 4.33Å; F896-N953 WeakPolarHBondContact CE2-OD1 3.35Å; F896-N953 WeakPolarHBondContact CZ-OD1 3.16Å |
| 897 | V | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126.8 | 161.7 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | V849 F859 L890 V892 V908 C909 L911 | V849-V897 HydrophobicContact CG1-CG1 4.33Å; V849-V897 HydrophobicContact CG2-CG2 3.86Å; F859-V897 HydrophobicContact CE1-CG2 3.95Å; L890-V897 HydrophobicContact CD1-CG1 3.48Å; L890-V897 VanDerWaalsContact CD1-CG1 3.48Å; L890-V897 HydrophobicContact CG-CG1 3.99Å; V892-V897 HydrophobicContact CG2-CG2 4.25Å; V897-V908 CarbonylContact O-C 3.5Å; V897-V908 WeakPolarHBondContact O-CA 3.48Å; V897-C909 HydrophobicContact CB-CB 4.29Å; V897-C909 PolarHBondContact N-O 3.13Å; V897-C909 PolarHBondContact O-N 2.88Å; V897-L911 HydrophobicContact CG2-CD1 4.19Å; V897-L911 HydrophobicContact CG2-CD2 3.41Å; V897-L911 VanDerWaalsContact CG2-CD2 3.41Å; V897-L911 HydrophobicContact CG2-CG 3.56Å |
| 898 | V | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.1 | 175.6 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | L890 Q891 K907 V908 L930 T932 A938 L952 | L890-V898 WeakPolarHBondContact CA-O 3.41Å; Q891-V898 PolarHBondContact N-O 3.39Å; Q891-V898 PolarHBondContact O-N 2.97Å; V898-K907 CarbonylContact C-O 3.57Å; V898-K907 VanDerWaalsContact CA-O 3.3Å; V898-K907 WeakPolarHBondContact CA-O 3.29Å; V898-V908 HydrophobicContact CG2-CG2 4.47Å; V898-L930 HydrophobicContact CB-CD1 4.13Å; V898-L930 HydrophobicContact CB-CD2 3.91Å; V898-L930 HydrophobicContact CG1-CD1 3.5Å; V898-L930 VanDerWaalsContact CG1-CD1 3.5Å; V898-L930 HydrophobicContact CG1-CD2 4.04Å; V898-L930 HydrophobicContact CG1-CG 4.42Å; V898-L930 WeakPolarHBondContact O-CD2 3.35Å; V898-T932 HydrophobicContact CG2-CG2 4.4Å; V898-A938 HydrophobicContact CG1-CB 4.43Å; V898-A938 HydrophobicContact CG2-CB 4.32Å; V898-L952 HydrophobicContact CG2-CD1 3.95Å; V898-L952 HydrophobicContact CG2-CD2 3.5Å; V898-L952 HydrophobicContact CG2-CG 4.39Å |
| 899 | S | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.2 | 177.8 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | H883 C889 L890 A906 K907 | H883-S899 PolarHBondContact CD2-OG 2.78Å; H883-S899 WeakPolarHBondContact NE2-CB 3.36Å; H883-S899 PolarHBondContact NE2-O 2.76Å; H883-S899 PolarHBondContact NE2-OG 2.86Å; C889-S899 CarbonylContact O-C 3.47Å; C889-S899 WeakPolarHBondContact O-CA 3.15Å; L890-S899 VanDerWaalsContact CD1-CB 3.46Å; S899-A906 CarbonylContact O-C 3.54Å; S899-A906 WeakPolarHBondContact O-CA 3.43Å; S899-A906 WeakPolarHBondContact O-CB 3.32Å; S899-K907 PolarHBondContact N-O 3.03Å; S899-K907 PolarHBondContact O-N 3.09Å |
| 900 | G | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | N888 C889 | N888-G900 PolarHBondContact N-O 2.89Å; C889-G900 PolarHBondContact N-O 3.14Å; C889-G900 PolarHBondContact O-N 2.68Å |
| 901 | G | 93 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 168.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L886 D903 R904 T905 V927 | L886-G901 CarbonylContact O-C 3.58Å; L886-G901 WeakPolarHBondContact O-CA 3.25Å; G901-D903 PolarHBondContact O-N 3.24Å; G901-R904 PolarHBondContact O-N 3.12Å; G901-T905 PolarHBondContact N-O 3.13Å; G901-T905 VanDerWaalsContact N-O 3.09Å; G901-V927 PolarHBondContact O-N 3.17Å; G901-V927 VanDerWaalsContact O-N 3.13Å |
| 902 | D | 93 | Very high | 92.9 | Very high | 68 Ų | 68 | 30.6 Ų | 30.6 | 36% | 0.364 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.6 | 170.4 | -86.2 | -8.7 | 0 | 0 | 0 | 113 | M885 L886 N888 R904 P926 | M885-D902 HydrophobicContact CB-CB 3.66Å; L886-D902 PolarHBondContact O-N 3.27Å; N888-D902 PolarHBondContact ND2-OD1 3.27Å; N888-D902 PolarHBondContact OD1-OD1 3.21Å; D902-R904 PolarHBondContact O-N 2.78Å; D902-R904 VanDerWaalsContact O-N 3.1Å; D902-P926 WeakPolarHBondContact OD1-CB 3.28Å |
| 903 | D | 93.8 | Very high | 92.8 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 18% | 0.176 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 6.7 | 173 | 67 | 5.8 | 0 | 0 | 0 | 113.5 | H883 A884 M885 G901 T905 | H883-D903 VanDerWaalsContact CA-OD2 3.26Å; H883-D903 WeakPolarHBondContact CA-OD2 3.42Å; H883-D903 WeakPolarHBondContact CB-OD2 3.36Å; H883-D903 IonicContact CE1-OD1 2.69Å; H883-D903 IonicContact CG-OD1 3.07Å; H883-D903 IonicContact CG-OD2 3.84Å; H883-D903 IonicContact ND1-OD1 2.66Å; H883-D903 PolarHBondContact ND1-OD1 3.12Å; H883-D903 IonicContact ND1-OD2 3.18Å; H883-D903 PolarHBondContact ND1-OD2 2.82Å; A884-D903 HydrophobicContact CB-CB 4.1Å; A884-D903 PolarHBondContact N-OD2 2.74Å; M885-D903 HydrophobicContact CB-CB 4.27Å; M885-D903 HydrophobicContact CG-CB 4.31Å; G901-D903 PolarHBondContact O-N 3.24Å; D903-T905 VanDerWaalsContact CG-OG1 3.26Å; D903-T905 PolarHBondContact O-N 3.43Å; D903-T905 PolarHBondContact OD1-N 2.94Å; D903-T905 VanDerWaalsContact OD1-N 3.15Å; D903-T905 PolarHBondContact OD1-OG1 2.92Å; D903-T905 PolarHBondContact OD2-OG1 2.87Å |
| 904 | R | 95 | Very high | 92.8 | Very high | 144 Ų | 144 | 31.2 Ų | 31.2 | 54% | 0.543 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 67.6 | 15.3 | 177.5 | -49.4 | 175.6 | -94.4 | -169 | -8.1 | 113.3 | G901 D902 N924 | G901-R904 PolarHBondContact O-N 3.12Å; D902-R904 PolarHBondContact O-N 2.78Å; D902-R904 VanDerWaalsContact O-N 3.1Å; R904-N924 VanDerWaalsContact CD-O 3.27Å; R904-N924 WeakPolarHBondContact CD-O 3.21Å |
| 905 | T | 94.8 | Very high | 93 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 8% | 0.08 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 151.8 | 176.4 | 70.2 | 0 | 0 | 0 | 0 | 110.2 | H883 G901 D903 Y921 | H883-T905 PolarHBondContact CE1-O 3.48Å; H883-T905 PolarHBondContact ND1-OG1 3.07Å; G901-T905 PolarHBondContact N-O 3.13Å; G901-T905 VanDerWaalsContact N-O 3.09Å; D903-T905 VanDerWaalsContact CG-OG1 3.26Å; D903-T905 PolarHBondContact O-N 3.43Å; D903-T905 PolarHBondContact OD1-N 2.94Å; D903-T905 VanDerWaalsContact OD1-N 3.15Å; D903-T905 PolarHBondContact OD1-OG1 2.92Å; D903-T905 PolarHBondContact OD2-OG1 2.87Å; T905-Y921 HydrophobicContact CG2-CD1 3.84Å; T905-Y921 HydrophobicContact CG2-CE1 3.67Å |
| 906 | A | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 144.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | S899 L920 T940 | S899-A906 CarbonylContact O-C 3.54Å; S899-A906 WeakPolarHBondContact O-CA 3.43Å; S899-A906 WeakPolarHBondContact O-CB 3.32Å; A906-L920 HydrophobicContact CB-CB 4.12Å; A906-L920 HydrophobicContact CB-CD1 4.01Å; A906-L920 PolarHBondContact N-O 2.89Å; A906-L920 WeakPolarHBondContact O-CA 3.46Å; A906-L920 VanDerWaalsContact O-CB 3.29Å; A906-L920 WeakPolarHBondContact O-CB 3.31Å; A906-L920 PolarHBondContact O-N 2.77Å; A906-T940 HydrophobicContact CB-CG2 4.03Å |
| 907 | K | 95.6 | Very high | 93.3 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 14% | 0.143 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.4 | 178.9 | -69.5 | -169.2 | 172.6 | -153.5 | 0 | 110.6 | A882 V898 S899 V916 H918 | A882-K907 HydrophobicContact CB-CD 4.17Å; A882-K907 WeakPolarHBondContact O-CD 3.16Å; A882-K907 WeakPolarHBondContact O-CE 3.48Å; A882-K907 PolarHBondContact O-NZ 2.91Å; V898-K907 CarbonylContact C-O 3.57Å; V898-K907 VanDerWaalsContact CA-O 3.3Å; V898-K907 WeakPolarHBondContact CA-O 3.29Å; S899-K907 PolarHBondContact N-O 3.03Å; S899-K907 PolarHBondContact O-N 3.09Å; K907-V916 HydrophobicContact CB-CG1 4.38Å; K907-V916 HydrophobicContact CD-CG1 4.16Å; K907-V916 HydrophobicContact CD-CG2 4.48Å; K907-V916 HydrophobicContact CG-CG1 4.48Å; K907-H918 WeakPolarHBondContact CA-O 3.38Å |
| 908 | V | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 113.7 | 174.5 | -173 | 0 | 0 | 0 | 0 | 107.2 | F896 V897 V898 R917 H918 L920 L952 | F896-V908 HydrophobicContact CB-CG1 3.93Å; F896-V908 HydrophobicContact CD1-CG1 3.72Å; F896-V908 HydrophobicContact CG-CG1 3.95Å; V897-V908 CarbonylContact O-C 3.5Å; V897-V908 WeakPolarHBondContact O-CA 3.48Å; V898-V908 HydrophobicContact CG2-CG2 4.47Å; V908-R917 PolarHBondContact O-N 2.79Å; V908-H918 HydrophobicContact CB-CB 4.22Å; V908-H918 HydrophobicContact CG2-CB 4.42Å; V908-H918 PolarHBondContact N-O 2.85Å; V908-H918 PolarHBondContact O-N 3.31Å; V908-H918 VanDerWaalsContact O-N 3.17Å; V908-L920 HydrophobicContact CG2-CD1 3.59Å; V908-L920 HydrophobicContact CG2-CD2 4.21Å; V908-L920 HydrophobicContact CG2-CG 3.98Å; V908-L952 HydrophobicContact CG1-CB 4.34Å; V908-L952 HydrophobicContact CG1-CD2 4.09Å; V908-L952 HydrophobicContact CG2-CD2 3.58Å |
| 909 | C | 94.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 137.2 | 175.4 | -55.5 | 0 | 0 | 0 | 0 | 109.3 | F859 F896 V897 T915 | F859-C909 HydrophobicContact CE1-CB 4.43Å; F859-C909 HydrophobicContact CZ-CB 3.73Å; F896-C909 CarbonylContact C-O 3.58Å; F896-C909 WeakPolarHBondContact CA-O 3.41Å; V897-C909 HydrophobicContact CB-CB 4.29Å; V897-C909 PolarHBondContact N-O 3.13Å; V897-C909 PolarHBondContact O-N 2.88Å; C909-T915 CarbonylContact C-O 3.57Å; C909-T915 VanDerWaalsContact CA-O 3.25Å; C909-T915 WeakPolarHBondContact CA-O 3.21Å |
| 910 | D | 91.4 | Very high | 93.2 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 12% | 0.118 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 126.9 | 173.6 | 165.8 | 22 | 0 | 0 | 0 | 109.6 | F896 S912 S913 C914 T915 | F896-D910 HydrophobicContact CD1-CB 4.49Å; F896-D910 HydrophobicContact CE1-CB 4.49Å; D910-S912 VanDerWaalsContact C-N 3.26Å; D910-S912 PolarHBondContact O-N 2.75Å; D910-S912 WeakPolarHBondContact OD1-CB 3.41Å; D910-S912 PolarHBondContact OD1-N 3.29Å; D910-S912 PolarHBondContact OD1-OG 3.5Å; D910-S912 PolarHBondContact OD2-OG 3.24Å; D910-S913 WeakPolarHBondContact CB-OG 3.44Å; D910-S913 VanDerWaalsContact CG-OG 3.28Å; D910-S913 VanDerWaalsContact OD2-CB 3.31Å; D910-S913 WeakPolarHBondContact OD2-CB 3.29Å; D910-S913 PolarHBondContact OD2-N 3.15Å; D910-S913 PolarHBondContact OD2-OG 3.05Å; D910-C914 WeakPolarHBondContact O-CA 3.28Å; D910-C914 PolarHBondContact O-N 2.97Å; D910-T915 PolarHBondContact N-O 3.41Å; D910-T915 PolarHBondContact O-N 3.43Å |
| 911 | L | 89.3 | Confident | 93.2 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -26.1 | -179.2 | -82.3 | 164.9 | 0 | 0 | 0 | 112.9 | R847 V849 F859 V892 N894 D895 V897 C914 | R847-L911 HydrophobicContact CB-CD2 3.95Å; R847-L911 HydrophobicContact CG-CD2 4.24Å; R847-L911 PolarHBondContact NE-O 3.13Å; V849-L911 HydrophobicContact CG2-CD2 3.9Å; F859-L911 HydrophobicContact CE1-CD2 4.47Å; V892-L911 HydrophobicContact CG1-CD1 3.57Å; N894-L911 WeakPolarHBondContact O-CD1 3.49Å; D895-L911 VanDerWaalsContact O-CB 3.28Å; D895-L911 WeakPolarHBondContact O-CB 3.34Å; D895-L911 PolarHBondContact O-N 3.01Å; V897-L911 HydrophobicContact CG2-CD1 4.19Å; V897-L911 HydrophobicContact CG2-CD2 3.41Å; V897-L911 VanDerWaalsContact CG2-CD2 3.41Å; V897-L911 HydrophobicContact CG2-CG 3.56Å; L911-C914 PolarHBondContact O-SG 3.23Å; L911-C914 VanDerWaalsContact O-SG 3.38Å |
| 912 | S | 89.5 | Confident | 92.8 | Very high | 77 Ų | 77 | 44.9 Ų | 44.9 | 54% | 0.538 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -53.5 | -177.4 | 69.8 | 0 | 0 | 0 | 0 | 111 | D910 C914 | D910-S912 VanDerWaalsContact C-N 3.26Å; D910-S912 PolarHBondContact O-N 2.75Å; D910-S912 WeakPolarHBondContact OD1-CB 3.41Å; D910-S912 PolarHBondContact OD1-N 3.29Å; D910-S912 PolarHBondContact OD1-OG 3.5Å; D910-S912 PolarHBondContact OD2-OG 3.24Å; S912-C914 VanDerWaalsContact C-N 3.32Å |
| 913 | S | 89.8 | Confident | 92.7 | Very high | 52 Ų | 52 | 42.1 Ų | 42.1 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -17.2 | 176.3 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | D910 T915 | D910-S913 WeakPolarHBondContact CB-OG 3.44Å; D910-S913 VanDerWaalsContact CG-OG 3.28Å; D910-S913 VanDerWaalsContact OD2-CB 3.31Å; D910-S913 WeakPolarHBondContact OD2-CB 3.29Å; D910-S913 PolarHBondContact OD2-N 3.15Å; D910-S913 PolarHBondContact OD2-OG 3.05Å; S913-T915 VanDerWaalsContact C-N 3.26Å; S913-T915 PolarHBondContact O-N 2.92Å; S913-T915 PolarHBondContact OG-OG1 2.8Å |
| 914 | C | 91.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 50.7 | -170.3 | -55.3 | 0 | 0 | 0 | 0 | 110 | F859 R878 I880 D910 L911 S912 | F859-C914 HydrophobicContact CB-CB 3.93Å; F859-C914 HydrophobicContact CD1-CB 4.29Å; F859-C914 HydrophobicContact CD2-CB 4.01Å; F859-C914 HydrophobicContact CG-CB 3.81Å; R878-C914 HydrophobicContact CB-CB 4.22Å; R878-C914 VanDerWaalsContact CD-O 3.31Å; R878-C914 WeakPolarHBondContact CD-O 3.42Å; I880-C914 WeakPolarHBondContact CD1-O 3.48Å; D910-C914 WeakPolarHBondContact O-CA 3.28Å; D910-C914 PolarHBondContact O-N 2.97Å; L911-C914 PolarHBondContact O-SG 3.23Å; L911-C914 VanDerWaalsContact O-SG 3.38Å; S912-C914 VanDerWaalsContact C-N 3.32Å |
| 915 | T | 91 | Very high | 92.3 | Very high | 46 Ų | 46 | 40 Ų | 40 | 28% | 0.282 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 152.8 | 176.3 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | R878 C909 D910 S913 R917 | R878-T915 VanDerWaalsContact NH1-CG2 3.31Å; C909-T915 CarbonylContact C-O 3.57Å; C909-T915 VanDerWaalsContact CA-O 3.25Å; C909-T915 WeakPolarHBondContact CA-O 3.21Å; D910-T915 PolarHBondContact N-O 3.41Å; D910-T915 PolarHBondContact O-N 3.43Å; S913-T915 VanDerWaalsContact C-N 3.26Å; S913-T915 PolarHBondContact O-N 2.92Å; S913-T915 PolarHBondContact OG-OG1 2.8Å; T915-R917 PolarHBondContact O-N 2.82Å |
| 916 | V | 92.5 | Very high | 92.2 | Very high | 45 Ų | 45 | 41.2 Ų | 41.2 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 114.1 | 172 | -179.2 | 0 | 0 | 0 | 0 | 107.3 | I880 K907 | I880-V916 HydrophobicContact CG2-CG2 4.1Å; K907-V916 HydrophobicContact CB-CG1 4.38Å; K907-V916 HydrophobicContact CD-CG1 4.16Å; K907-V916 HydrophobicContact CD-CG2 4.48Å; K907-V916 HydrophobicContact CG-CG1 4.48Å |
| 917 | R | 93.4 | Very high | 92.1 | Very high | 121 Ų | 121 | 41.2 Ų | 41.2 | 46% | 0.457 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -48.2 | 177.7 | -172.8 | 179 | 175.8 | 141.6 | -8.3 | 110.6 | V908 T915 N953 | V908-R917 PolarHBondContact O-N 2.79Å; T915-R917 PolarHBondContact O-N 2.82Å; R917-N953 PolarHBondContact NH2-O 3.09Å |
| 918 | H | 94.4 | Very high | 91.9 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 22% | 0.222 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 141.4 | -177.2 | -60.8 | -59.5 | 0 | 0 | 0 | 111.4 | K907 V908 L920 L952 N953 G955 | K907-H918 WeakPolarHBondContact CA-O 3.38Å; V908-H918 HydrophobicContact CB-CB 4.22Å; V908-H918 HydrophobicContact CG2-CB 4.42Å; V908-H918 PolarHBondContact N-O 2.85Å; V908-H918 PolarHBondContact O-N 3.31Å; V908-H918 VanDerWaalsContact O-N 3.17Å; H918-L920 HydrophobicContact CB-CD2 4.16Å; H918-L952 PolarHBondContact CD2-O 2.79Å; H918-L952 VanDerWaalsContact CD2-O 3.31Å; H918-N953 PolarHBondContact NE2-O 2.7Å; H918-G955 VanDerWaalsContact CD2-CA 3.47Å; H918-G955 WeakPolarHBondContact CD2-CA 3.21Å; H918-G955 PolarHBondContact CD2-N 2.99Å; H918-G955 PolarHBondContact NE2-N 3.24Å |
| 919 | S | 94.2 | Very high | 91.6 | Very high | 41 Ų | 41 | 40.9 Ų | 40.9 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.2 | 163.7 | -58.6 | 0 | 0 | 0 | 0 | 107.7 | Y921 | S919-Y921 VanDerWaalsContact O-CD2 3.25Å; S919-Y921 WeakPolarHBondContact O-CD2 3.39Å; S919-Y921 WeakPolarHBondContact O-CE2 3.39Å |
| 920 | L | 95.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 114.4 | -174.3 | -52.4 | 175.5 | 0 | 0 | 0 | 109.1 | A906 V908 H918 W950 G955 | A906-L920 HydrophobicContact CB-CB 4.12Å; A906-L920 HydrophobicContact CB-CD1 4.01Å; A906-L920 PolarHBondContact N-O 2.89Å; A906-L920 WeakPolarHBondContact O-CA 3.46Å; A906-L920 VanDerWaalsContact O-CB 3.29Å; A906-L920 WeakPolarHBondContact O-CB 3.31Å; A906-L920 PolarHBondContact O-N 2.77Å; V908-L920 HydrophobicContact CG2-CD1 3.59Å; V908-L920 HydrophobicContact CG2-CD2 4.21Å; V908-L920 HydrophobicContact CG2-CG 3.98Å; H918-L920 HydrophobicContact CB-CD2 4.16Å; L920-W950 HydrophobicContact CB-CD2 3.99Å; L920-W950 HydrophobicContact CB-CE3 3.89Å; L920-W950 HydrophobicContact CB-CH2 4Å; L920-W950 HydrophobicContact CB-CZ2 4.07Å; L920-W950 HydrophobicContact CB-CZ3 3.89Å; L920-W950 HydrophobicContact CD1-CB 3.96Å; L920-W950 HydrophobicContact CD1-CD2 3.75Å; L920-W950 HydrophobicContact CD1-CE3 4.19Å; L920-W950 HydrophobicContact CD1-CG 3.63Å; L920-W950 HydrophobicContact CD2-CD2 4.19Å; L920-W950 HydrophobicContact CD2-CE3 3.75Å; L920-W950 HydrophobicContact CD2-CZ3 4.28Å; L920-W950 HydrophobicContact CG-CD2 4.19Å; L920-W950 HydrophobicContact CG-CE3 4.15Å; L920-G955 WeakPolarHBondContact CD2-O 3.44Å |
| 921 | Y | 93.2 | Very high | 91.6 | Very high | 168 Ų | 168 | 40.4 Ų | 40.4 | 66% | 0.659 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.9 | -179.9 | -60.6 | -85.1 | 0 | 0 | 0 | 109.5 | T905 S919 W950 | T905-Y921 HydrophobicContact CG2-CD1 3.84Å; T905-Y921 HydrophobicContact CG2-CE1 3.67Å; S919-Y921 VanDerWaalsContact O-CD2 3.25Å; S919-Y921 WeakPolarHBondContact O-CD2 3.39Å; S919-Y921 WeakPolarHBondContact O-CE2 3.39Å; Y921-W950 WeakPolarHBondContact O-CH2 3.28Å |
| 922 | G | 85.8 | Confident | 91.8 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | trans | -179.8 | -22 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M960 | G922-M960 WeakPolarHBondContact O-CE 3.43Š| ||
| 923 | H | 91.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | trans | -84.6 | 138.4 | 177.6 | -66.1 | -66.1 | 0 | 0 | 0 | 112.3 | V927 T940 C942 V946 C948 | H923-V927 HydrophobicContact CB-CG2 4.17Å; H923-V927 VanDerWaalsContact CD2-CG2 3.46Å; H923-V927 WeakPolarHBondContact CD2-CG2 3.33Å; H923-T940 PolarHBondContact CE1-O 3.34Å; H923-T940 PolarHBondContact CE1-OG1 2.9Å; H923-T940 VanDerWaalsContact NE2-CB 3.28Å; H923-T940 WeakPolarHBondContact NE2-CB 3.32Å; H923-T940 PolarHBondContact NE2-OG1 3.38Å; H923-C942 HydrophobicContact CB-CB 3.97Å; H923-V946 PolarHBondContact CE1-O 2.99Å; H923-C948 PolarHBondContact CE1-SG 3.31Å | ||
| 924 | N | 89.6 | Confident | 91.7 | Very high | 125 Ų | 125 | 40.2 Ų | 40.2 | 67% | 0.668 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -91.8 | -10.6 | 177.3 | -65.3 | -18.4 | 0 | 0 | 0 | 113 | R904 | R904-N924 VanDerWaalsContact CD-O 3.27Å; R904-N924 WeakPolarHBondContact CD-O 3.21Å |
| 925 | A | 91.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -137.7 | 168.5 | -177 | 0 | 0 | 0 | 0 | 0 | 110.5 | V927 C942 F943 E944 | A925-V927 PolarHBondContact O-N 2.76Å; A925-C942 HydrophobicContact CB-CB 4.17Å; A925-F943 HydrophobicContact CB-CB 4.2Å; A925-E944 HydrophobicContact CB-CB 4Å; A925-E944 HydrophobicContact CB-CG 3.46Å; A925-E944 VanDerWaalsContact CB-CG 3.46Å |
| 926 | P | 92.1 | Very high | 91.2 | Very high | 39 Ų | 39 | 44 Ų | 44 | 25% | 0.253 | 24% | 0.236 | S | C | . | . | trans | -48.6 | 135.2 | 176.9 | -34.2 | 40.6 | 0 | 0 | 0 | 112.8 | D902 I928 C942 F943 | D902-P926 WeakPolarHBondContact OD1-CB 3.28Å; P926-I928 PolarHBondContact O-N 2.94Å; P926-C942 CarbonylContact O-C 3.53Å; P926-C942 WeakPolarHBondContact O-CA 3.39Å; P926-C942 WeakPolarHBondContact O-CB 3.37Å; P926-F943 PolarHBondContact O-N 2.77Å | ||
| 927 | V | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 118.9 | 174.7 | -174.2 | 0 | 0 | 0 | 0 | 107.6 | N888 G901 H923 A925 T940 | N888-V927 VanDerWaalsContact CB-O 3.23Å; N888-V927 WeakPolarHBondContact CB-O 3.28Å; N888-V927 PolarHBondContact ND2-O 2.87Å; G901-V927 PolarHBondContact O-N 3.17Å; G901-V927 VanDerWaalsContact O-N 3.13Å; H923-V927 HydrophobicContact CB-CG2 4.17Å; H923-V927 VanDerWaalsContact CD2-CG2 3.46Å; H923-V927 WeakPolarHBondContact CD2-CG2 3.33Å; A925-V927 PolarHBondContact O-N 2.76Å; V927-T940 HydrophobicContact CG1-CG2 4.28Å |
| 928 | I | 90.3 | Very high | 91.3 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 9% | 0.087 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -26.2 | -172.1 | 54.9 | 164.2 | 0 | 0 | 0 | 113.2 | P926 C941 F943 V972 | P926-I928 PolarHBondContact O-N 2.94Å; I928-C941 WeakPolarHBondContact CG1-O 3.41Å; I928-C941 PolarHBondContact N-O 3.06Å; I928-F943 HydrophobicContact CG2-CB 3.96Å; I928-F943 HydrophobicContact CG2-CD2 4.19Å; I928-V972 HydrophobicContact CD1-CB 4.45Å; I928-V972 VanDerWaalsContact CD1-N 3.31Å |
| 929 | S | 90.7 | Very high | 91.3 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 153.5 | 179.1 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | T940 C941 V972 L974 | S929-T940 WeakPolarHBondContact O-CA 3.43Å; S929-C941 PolarHBondContact N-O 2.91Å; S929-C941 PolarHBondContact O-N 2.92Å; S929-C941 WeakPolarHBondContact OG-CB 3.16Å; S929-V972 WeakPolarHBondContact CB-O 3.33Å; S929-V972 PolarHBondContact OG-O 2.79Å; S929-L974 WeakPolarHBondContact OG-CG 3.46Å |
| 930 | L | 93 | Very high | 91.3 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 134.9 | -171.7 | 176.8 | 78.1 | 0 | 0 | 0 | 108.2 | C889 Q891 V898 A938 F939 T940 | C889-L930 HydrophobicContact CB-CB 4.03Å; Q891-L930 HydrophobicContact CB-CD2 3.58Å; Q891-L930 HydrophobicContact CB-CG 4.31Å; Q891-L930 HydrophobicContact CG-CD2 3.94Å; Q891-L930 HydrophobicContact CG-CG 4.4Å; Q891-L930 PolarHBondContact NE2-O 3.13Å; V898-L930 HydrophobicContact CB-CD1 4.13Å; V898-L930 HydrophobicContact CB-CD2 3.91Å; V898-L930 HydrophobicContact CG1-CD1 3.5Å; V898-L930 VanDerWaalsContact CG1-CD1 3.5Å; V898-L930 HydrophobicContact CG1-CD2 4.04Å; V898-L930 HydrophobicContact CG1-CG 4.42Å; V898-L930 WeakPolarHBondContact O-CD2 3.35Å; L930-A938 HydrophobicContact CD1-CB 4.41Å; L930-F939 CarbonylContact C-O 3.47Å; L930-F939 WeakPolarHBondContact CA-O 3.28Å; L930-T940 HydrophobicContact CD1-CG2 3.42Å; L930-T940 VanDerWaalsContact CD1-CG2 3.42Å |
| 931 | A | 93.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 131.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | F939 L974 L976 | A931-F939 PolarHBondContact N-O 2.83Å; A931-F939 PolarHBondContact O-N 2.78Å; A931-L974 HydrophobicContact CB-CB 3.84Å; A931-L976 HydrophobicContact CB-CB 4.39Å |
| 932 | T | 92.8 | Very high | 91 | Very high | 26 Ų | 26 | 25.3 Ų | 25.3 | 16% | 0.16 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 144 | -177.8 | 48.7 | 0 | 0 | 0 | 0 | 111.3 | Q891 C893 V898 A938 L976 | Q891-T932 HydrophobicContact CB-CG2 3.86Å; Q891-T932 PolarHBondContact OE1-OG1 3.21Å; C893-T932 HydrophobicContact CB-CG2 3.84Å; V898-T932 HydrophobicContact CG2-CG2 4.4Å; T932-A938 HydrophobicContact CG2-CB 4.21Å; T932-L976 WeakPolarHBondContact O-CD2 3.44Å |
| 933 | D | 90.3 | Very high | 91.1 | Very high | 29 Ų | 29 | 27.4 Ų | 27.4 | 16% | 0.155 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 106.5 | 175.4 | -177.4 | 49.8 | 0 | 0 | 0 | 110.1 | D936 V937 F939 L976 K995 | D933-D936 PolarHBondContact O-N 2.71Å; D933-V937 CarbonylContact C-O 3.57Å; D933-V937 WeakPolarHBondContact CA-O 3.45Å; D933-V937 HydrophobicContact CB-CB 4.07Å; D933-V937 PolarHBondContact N-O 2.98Å; D933-V937 PolarHBondContact O-N 3.02Å; D933-V937 VanDerWaalsContact O-O 3.06Å; D933-F939 HydrophobicContact CB-CE2 4.05Å; D933-L976 HydrophobicContact CB-CD2 3.37Å; D933-L976 WeakPolarHBondContact OD1-CD2 3.47Å; D933-K995 WeakPolarHBondContact OD1-CE 3.3Å; D933-K995 IonicContact OD1-NZ 2.79Å; D933-K995 PolarHBondContact OD1-NZ 2.95Å; D933-K995 WeakPolarHBondContact OD2-CE 3.25Å; D933-K995 IonicContact OD2-NZ 3.21Å; D933-K995 PolarHBondContact OD2-NZ 3.48Å |
| 934 | P | 86.1 | Confident | 90.8 | Very high | 79 Ų | 79 | 33.1 Ų | 33.1 | 51% | 0.513 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 138.4 | 176.4 | 25.9 | -31.5 | 0 | 0 | 0 | 110.7 | ||
| 935 | P | 84.9 | Confident | 90.5 | Very high | 72 Ų | 72 | 27.3 Ų | 27.3 | 47% | 0.468 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -91.9 | -28.8 | 11.6 | 32.3 | -33.3 | 0 | 0 | 0 | 116.1 | C893 N894 | C893-P935 PolarHBondContact SG-O 2.99Å; N894-P935 VanDerWaalsContact ND2-CA 3.3Å; N894-P935 WeakPolarHBondContact ND2-CA 3.38Å; N894-P935 WeakPolarHBondContact ND2-CB 3.15Å |
| 936 | D | 87.5 | Confident | 90.5 | Very high | 54 Ų | 54 | 27.7 Ų | 27.7 | 29% | 0.289 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.4 | 4.5 | -157.2 | -57.8 | -33.9 | 0 | 0 | 0 | 114.9 | D933 N951 L952 N953 | D933-D936 PolarHBondContact O-N 2.71Å; D936-N951 CarbonylContact O-C 3.48Å; D936-L952 WeakPolarHBondContact O-CB 2.99Å; D936-L952 WeakPolarHBondContact O-CG 3.11Å; D936-L952 PolarHBondContact O-N 2.67Å; D936-N953 PolarHBondContact OD1-ND2 3.39Å; D936-N953 PolarHBondContact OD2-ND2 2.95Å |
| 937 | V | 93.1 | Very high | 90.5 | Very high | 31 Ų | 31 | 25.9 Ų | 25.9 | 19% | 0.188 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.2 | -173.9 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | D933 F939 W950 L958 | D933-V937 CarbonylContact C-O 3.57Å; D933-V937 WeakPolarHBondContact CA-O 3.45Å; D933-V937 HydrophobicContact CB-CB 4.07Å; D933-V937 PolarHBondContact N-O 2.98Å; D933-V937 PolarHBondContact O-N 3.02Å; D933-V937 VanDerWaalsContact O-O 3.06Å; V937-F939 HydrophobicContact CG1-CE1 4.08Å; V937-F939 HydrophobicContact CG1-CE2 3.86Å; V937-F939 HydrophobicContact CG1-CZ 3.54Å; V937-W950 CarbonylContact C-O 3.54Å; V937-W950 VanDerWaalsContact CA-O 3.29Å; V937-W950 WeakPolarHBondContact CA-O 3.44Å; V937-L958 HydrophobicContact CG1-CD1 4.11Å; V937-L958 HydrophobicContact CG2-CD1 4.06Å |
| 938 | A | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V898 L930 T932 A949 W950 L952 | V898-A938 HydrophobicContact CG1-CB 4.43Å; V898-A938 HydrophobicContact CG2-CB 4.32Å; L930-A938 HydrophobicContact CD1-CB 4.41Å; T932-A938 HydrophobicContact CG2-CB 4.21Å; A938-A949 CarbonylContact O-C 3.54Å; A938-A949 WeakPolarHBondContact O-CA 3.39Å; A938-W950 PolarHBondContact N-O 3.43Å; A938-W950 PolarHBondContact O-N 3.43Å; A938-L952 HydrophobicContact CB-CD1 4.18Å; A938-L952 HydrophobicContact CB-CD2 3.68Å; A938-L952 HydrophobicContact CB-CG 4.12Å |
| 939 | F | 95 | Very high | 90.7 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.7 | 174.8 | -55.7 | -78.9 | 0 | 0 | 0 | 108.8 | L930 A931 D933 V937 L947 C948 A949 W959 L974 L976 L981 K995 | L930-F939 CarbonylContact C-O 3.47Å; L930-F939 WeakPolarHBondContact CA-O 3.28Å; A931-F939 PolarHBondContact N-O 2.83Å; A931-F939 PolarHBondContact O-N 2.78Å; D933-F939 HydrophobicContact CB-CE2 4.05Å; V937-F939 HydrophobicContact CG1-CE1 4.08Å; V937-F939 HydrophobicContact CG1-CE2 3.86Å; V937-F939 HydrophobicContact CG1-CZ 3.54Å; F939-L947 HydrophobicContact CB-CD2 4.33Å; F939-C948 CarbonylContact C-O 3.57Å; F939-C948 WeakPolarHBondContact CA-O 3.26Å; F939-A949 HydrophobicContact CD1-CB 3.57Å; F939-A949 HydrophobicContact CE1-CB 3.45Å; F939-A949 VanDerWaalsContact CE1-CB 3.45Å; F939-W959 AromaticContact CD1-CH2 3.92Å; F939-W959 HydrophobicContact CD1-CH2 3.92Å; F939-W959 AromaticContact CD1-CZ2 3.76Å; F939-W959 HydrophobicContact CD1-CZ2 3.76Å; F939-W959 HydrophobicContact CE1-CH2 4.04Å; F939-W959 AromaticContact CE1-CZ2 3.39Å; F939-W959 HydrophobicContact CE1-CZ2 3.39Å; F939-L974 HydrophobicContact CB-CD1 4.38Å; F939-L976 HydrophobicContact CD2-CD1 3.88Å; F939-L976 HydrophobicContact CE2-CD1 3.56Å; F939-L976 HydrophobicContact CE2-CD2 4.3Å; F939-L976 HydrophobicContact CZ-CD1 4.43Å; F939-L981 HydrophobicContact CB-CD1 3.9Å; F939-L981 HydrophobicContact CB-CD2 4.19Å; F939-L981 HydrophobicContact CD1-CD1 4.46Å; F939-L981 HydrophobicContact CD1-CD2 3.92Å; F939-L981 HydrophobicContact CD2-CD1 4.01Å; F939-L981 HydrophobicContact CG-CD1 3.84Å; F939-L981 HydrophobicContact CG-CD2 4.07Å; F939-K995 HydrophobicContact CE1-CG 4.45Å; F939-K995 HydrophobicContact CE2-CG 4Å; F939-K995 HydrophobicContact CZ-CG 3.51Å |
| 940 | T | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139.6 | -178.5 | 47.7 | 0 | 0 | 0 | 0 | 108.4 | A906 H923 V927 S929 L930 L947 C948 W950 | A906-T940 HydrophobicContact CB-CG2 4.03Å; H923-T940 PolarHBondContact CE1-O 3.34Å; H923-T940 PolarHBondContact CE1-OG1 2.9Å; H923-T940 VanDerWaalsContact NE2-CB 3.28Å; H923-T940 WeakPolarHBondContact NE2-CB 3.32Å; H923-T940 PolarHBondContact NE2-OG1 3.38Å; V927-T940 HydrophobicContact CG1-CG2 4.28Å; S929-T940 WeakPolarHBondContact O-CA 3.43Å; L930-T940 HydrophobicContact CD1-CG2 3.42Å; L930-T940 VanDerWaalsContact CD1-CG2 3.42Å; T940-L947 WeakPolarHBondContact O-CA 3.13Å; T940-C948 PolarHBondContact N-O 2.91Å; T940-C948 PolarHBondContact O-N 3.27Å; T940-C948 PolarHBondContact OG1-O 2.94Å; T940-C948 VanDerWaalsContact OG1-O 3.13Å; T940-W950 PolarHBondContact OG1-NE1 3.39Å |
| 941 | C | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136 | 173.3 | -167.9 | 0 | 0 | 0 | 0 | 109.6 | I928 S929 V946 L947 L974 | I928-C941 WeakPolarHBondContact CG1-O 3.41Å; I928-C941 PolarHBondContact N-O 3.06Å; S929-C941 PolarHBondContact N-O 2.91Å; S929-C941 PolarHBondContact O-N 2.92Å; S929-C941 WeakPolarHBondContact OG-CB 3.16Å; C941-V946 WeakPolarHBondContact CA-O 3.48Å; C941-L947 HydrophobicContact CB-CG 4.36Å; C941-L974 HydrophobicContact CB-CD1 3.69Å; C941-L974 HydrophobicContact CB-CG 4.07Å |
| 942 | C | 90.1 | Very high | 91 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 169.5 | 170.2 | 81.2 | 0 | 0 | 0 | 0 | 112.2 | H923 A925 P926 E944 G945 V946 | H923-C942 HydrophobicContact CB-CB 3.97Å; A925-C942 HydrophobicContact CB-CB 4.17Å; P926-C942 CarbonylContact O-C 3.53Å; P926-C942 WeakPolarHBondContact O-CA 3.39Å; P926-C942 WeakPolarHBondContact O-CB 3.37Å; C942-E944 PolarHBondContact O-N 2.79Å; C942-E944 PolarHBondContact SG-N 2.83Å; C942-E944 VanDerWaalsContact SG-N 3.43Å; C942-G945 PolarHBondContact O-N 2.76Å; C942-V946 PolarHBondContact N-O 3.24Å; C942-V946 WeakPolarHBondContact SG-CB 3.47Å; C942-V946 PolarHBondContact SG-N 2.85Å |
| 943 | F | 86.9 | Confident | 91 | Very high | 64 Ų | 64 | 26.9 Ų | 26.9 | 28% | 0.281 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.5 | 178.5 | -174.7 | -106.3 | 0 | 0 | 0 | 114.2 | A925 P926 I928 G945 L969 T971 | A925-F943 HydrophobicContact CB-CB 4.2Å; P926-F943 PolarHBondContact O-N 2.77Å; I928-F943 HydrophobicContact CG2-CB 3.96Å; I928-F943 HydrophobicContact CG2-CD2 4.19Å; F943-G945 PolarHBondContact O-N 2.93Å; F943-L969 HydrophobicContact CD1-CD2 4.46Å; F943-L969 HydrophobicContact CE1-CB 4.28Å; F943-L969 HydrophobicContact CE1-CD2 3.25Å; F943-L969 HydrophobicContact CE1-CG 4.29Å; F943-L969 HydrophobicContact CE2-CB 4.43Å; F943-L969 HydrophobicContact CZ-CB 3.67Å; F943-L969 HydrophobicContact CZ-CD1 4.5Å; F943-L969 HydrophobicContact CZ-CD2 3.43Å; F943-L969 VanDerWaalsContact CZ-CD2 3.43Å; F943-L969 HydrophobicContact CZ-CG 4.02Å; F943-T971 HydrophobicContact CE2-CG2 4.4Å |
| 944 | E | 84.3 | Confident | 91 | Very high | 131 Ų | 131 | 30.3 Ų | 30.3 | 61% | 0.612 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 8.9 | 173 | -67.5 | -73.2 | 149.2 | 0 | 0 | 112.5 | A925 C942 V946 | A925-E944 HydrophobicContact CB-CB 4Å; A925-E944 HydrophobicContact CB-CG 3.46Å; A925-E944 VanDerWaalsContact CB-CG 3.46Å; C942-E944 PolarHBondContact O-N 2.79Å; C942-E944 PolarHBondContact SG-N 2.83Å; C942-E944 VanDerWaalsContact SG-N 3.43Å; E944-V946 VanDerWaalsContact C-N 3.3Å; E944-V946 PolarHBondContact O-N 3.4Å |
| 945 | G | 84.4 | Confident | 91.2 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | trans | 78.6 | 5.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C942 F943 L947 | C942-G945 PolarHBondContact O-N 2.76Å; F943-G945 PolarHBondContact O-N 2.93Å; G945-L947 PolarHBondContact O-N 2.71Å | ||
| 946 | V | 89.8 | Confident | 91.6 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | trans | -70 | 127.2 | 173.8 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | H923 C941 C942 E944 M960 D962 | H923-V946 PolarHBondContact CE1-O 2.99Å; C941-V946 WeakPolarHBondContact CA-O 3.48Å; C942-V946 PolarHBondContact N-O 3.24Å; C942-V946 WeakPolarHBondContact SG-CB 3.47Å; C942-V946 PolarHBondContact SG-N 2.85Å; E944-V946 VanDerWaalsContact C-N 3.3Å; E944-V946 PolarHBondContact O-N 3.4Å; V946-M960 HydrophobicContact CG1-CG 3.75Å; V946-M960 HydrophobicContact CG1-SD 4.06Å; V946-D962 HydrophobicContact CG2-CB 4.48Å | ||
| 947 | L | 92.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122 | -175.9 | -139.4 | 160 | 0 | 0 | 0 | 109.7 | F939 T940 C941 G945 W959 M960 T961 L974 L981 W993 | F939-L947 HydrophobicContact CB-CD2 4.33Å; T940-L947 WeakPolarHBondContact O-CA 3.13Å; C941-L947 HydrophobicContact CB-CG 4.36Å; G945-L947 PolarHBondContact O-N 2.71Å; L947-W959 HydrophobicContact CD2-CH2 4.1Å; L947-W959 HydrophobicContact CD2-CZ3 4.1Å; L947-M960 CarbonylContact O-C 3.51Å; L947-M960 VanDerWaalsContact O-CA 3.32Å; L947-M960 WeakPolarHBondContact O-CA 3.33Å; L947-T961 HydrophobicContact CB-CG2 3.95Å; L947-T961 PolarHBondContact N-O 3.42Å; L947-T961 PolarHBondContact O-N 2.93Å; L947-L974 HydrophobicContact CD1-CD2 3.68Å; L947-L974 HydrophobicContact CD2-CD1 4.49Å; L947-L974 HydrophobicContact CD2-CD2 4.45Å; L947-L974 HydrophobicContact CG-CD2 4.28Å; L947-L981 HydrophobicContact CD1-CD2 3.94Å; L947-L981 HydrophobicContact CD2-CD2 3.37Å; L947-L981 HydrophobicContact CG-CD2 4.3Å; L947-W993 HydrophobicContact CD1-CD2 4.28Å; L947-W993 HydrophobicContact CD1-CE3 3.97Å; L947-W993 HydrophobicContact CD1-CH2 3.65Å; L947-W993 HydrophobicContact CD1-CZ2 4.02Å; L947-W993 HydrophobicContact CD1-CZ3 3.61Å |
| 948 | C | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.3 | -179.2 | -65.2 | 0 | 0 | 0 | 0 | 110.8 | H923 F939 T940 W950 L957 M960 | H923-C948 PolarHBondContact CE1-SG 3.31Å; F939-C948 CarbonylContact C-O 3.57Å; F939-C948 WeakPolarHBondContact CA-O 3.26Å; T940-C948 PolarHBondContact N-O 2.91Å; T940-C948 PolarHBondContact O-N 3.27Å; T940-C948 PolarHBondContact OG1-O 2.94Å; T940-C948 VanDerWaalsContact OG1-O 3.13Å; C948-W950 VanDerWaalsContact CB-CE2 3.49Å; C948-W950 HydrophobicContact CB-CZ2 3.5Å; C948-W950 VanDerWaalsContact CB-CZ2 3.5Å; C948-L957 HydrophobicContact CB-CD1 3.61Å; C948-M960 WeakPolarHBondContact SG-CE 3.38Å |
| 949 | A | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A938 F939 L958 W959 | A938-A949 CarbonylContact O-C 3.54Å; A938-A949 WeakPolarHBondContact O-CA 3.39Å; F939-A949 HydrophobicContact CD1-CB 3.57Å; F939-A949 HydrophobicContact CE1-CB 3.45Å; F939-A949 VanDerWaalsContact CE1-CB 3.45Å; A949-L958 HydrophobicContact CB-CB 4.2Å; A949-L958 PolarHBondContact O-N 2.74Å; A949-W959 HydrophobicContact CB-CD2 3.5Å; A949-W959 HydrophobicContact CB-CE3 4.04Å; A949-W959 HydrophobicContact CB-CG 3.94Å; A949-W959 HydrophobicContact CB-CH2 4.14Å; A949-W959 HydrophobicContact CB-CZ2 3.64Å; A949-W959 HydrophobicContact CB-CZ3 4.31Å; A949-W959 PolarHBondContact N-O 3.36Å |
| 950 | W | 95.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.1 | -173.4 | -54.3 | 97.4 | 0 | 0 | 0 | 110.7 | L920 Y921 V937 A938 T940 C948 R956 L957 | L920-W950 HydrophobicContact CB-CD2 3.99Å; L920-W950 HydrophobicContact CB-CE3 3.89Å; L920-W950 HydrophobicContact CB-CH2 4Å; L920-W950 HydrophobicContact CB-CZ2 4.07Å; L920-W950 HydrophobicContact CB-CZ3 3.89Å; L920-W950 HydrophobicContact CD1-CB 3.96Å; L920-W950 HydrophobicContact CD1-CD2 3.75Å; L920-W950 HydrophobicContact CD1-CE3 4.19Å; L920-W950 HydrophobicContact CD1-CG 3.63Å; L920-W950 HydrophobicContact CD2-CD2 4.19Å; L920-W950 HydrophobicContact CD2-CE3 3.75Å; L920-W950 HydrophobicContact CD2-CZ3 4.28Å; L920-W950 HydrophobicContact CG-CD2 4.19Å; L920-W950 HydrophobicContact CG-CE3 4.15Å; Y921-W950 WeakPolarHBondContact O-CH2 3.28Å; V937-W950 CarbonylContact C-O 3.54Å; V937-W950 VanDerWaalsContact CA-O 3.29Å; V937-W950 WeakPolarHBondContact CA-O 3.44Å; A938-W950 PolarHBondContact N-O 3.43Å; A938-W950 PolarHBondContact O-N 3.43Å; T940-W950 PolarHBondContact OG1-NE1 3.39Å; C948-W950 VanDerWaalsContact CB-CE2 3.49Å; C948-W950 HydrophobicContact CB-CZ2 3.5Å; C948-W950 VanDerWaalsContact CB-CZ2 3.5Å; W950-R956 WeakPolarHBondContact CA-O 3.37Å; W950-L957 HydrophobicContact CD2-CD1 4.16Å; W950-L957 HydrophobicContact CE3-CB 3.9Å; W950-L957 HydrophobicContact CE3-CD1 4.02Å; W950-L957 HydrophobicContact CH2-CB 4.17Å; W950-L957 HydrophobicContact CH2-CD1 3.71Å; W950-L957 HydrophobicContact CH2-CG 4.43Å; W950-L957 HydrophobicContact CZ2-CD1 3.86Å; W950-L957 HydrophobicContact CZ3-CB 3.56Å; W950-L957 HydrophobicContact CZ3-CD1 3.82Å; W950-L957 HydrophobicContact CZ3-CG 4.25Å |
| 951 | N | 94.2 | Very high | 91.3 | Very high | 27 Ų | 27 | 41.9 Ų | 41.9 | 14% | 0.144 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 113.9 | 161.5 | -179 | -11.7 | 0 | 0 | 0 | 108.5 | D936 N953 G955 R956 L958 | D936-N951 CarbonylContact O-C 3.48Å; N951-N953 VanDerWaalsContact C-N 3.34Å; N951-N953 PolarHBondContact O-N 2.87Å; N951-N953 PolarHBondContact OD1-N 2.9Å; N951-N953 VanDerWaalsContact OD1-N 3.07Å; N951-G955 VanDerWaalsContact O-CA 3.26Å; N951-G955 WeakPolarHBondContact O-CA 3.43Å; N951-G955 PolarHBondContact O-N 2.75Å; N951-R956 PolarHBondContact N-O 3.34Å; N951-R956 PolarHBondContact O-N 3.5Å; N951-L958 HydrophobicContact CB-CD1 4.32Å; N951-L958 HydrophobicContact CB-CD2 4.02Å; N951-L958 HydrophobicContact CB-CG 4.13Å |
| 952 | L | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -31 | -176.6 | -61.8 | 179.2 | 0 | 0 | 0 | 113 | C893 F896 V898 V908 H918 D936 A938 | C893-L952 HydrophobicContact CB-CD1 3.8Å; F896-L952 HydrophobicContact CB-CD1 4.29Å; F896-L952 HydrophobicContact CD2-CB 3.9Å; F896-L952 HydrophobicContact CD2-CD1 4.29Å; F896-L952 HydrophobicContact CE2-CB 4.26Å; F896-L952 HydrophobicContact CG-CB 4.33Å; V898-L952 HydrophobicContact CG2-CD1 3.95Å; V898-L952 HydrophobicContact CG2-CD2 3.5Å; V898-L952 HydrophobicContact CG2-CG 4.39Å; V908-L952 HydrophobicContact CG1-CB 4.34Å; V908-L952 HydrophobicContact CG1-CD2 4.09Å; V908-L952 HydrophobicContact CG2-CD2 3.58Å; H918-L952 PolarHBondContact CD2-O 2.79Å; H918-L952 VanDerWaalsContact CD2-O 3.31Å; D936-L952 WeakPolarHBondContact O-CB 2.99Å; D936-L952 WeakPolarHBondContact O-CG 3.11Å; D936-L952 PolarHBondContact O-N 2.67Å; A938-L952 HydrophobicContact CB-CD1 4.18Å; A938-L952 HydrophobicContact CB-CD2 3.68Å; A938-L952 HydrophobicContact CB-CG 4.12Å |
| 953 | N | 92.4 | Very high | 90.4 | Very high | 54 Ų | 54 | 50 Ų | 50 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -47.1 | 178.9 | -78.2 | -29.5 | 0 | 0 | 0 | 111.9 | F896 R917 H918 D936 N951 | F896-N953 WeakPolarHBondContact CE2-OD1 3.35Å; F896-N953 WeakPolarHBondContact CZ-OD1 3.16Å; R917-N953 PolarHBondContact NH2-O 3.09Å; H918-N953 PolarHBondContact NE2-O 2.7Å; D936-N953 PolarHBondContact OD1-ND2 3.39Å; D936-N953 PolarHBondContact OD2-ND2 2.95Å; N951-N953 VanDerWaalsContact C-N 3.34Å; N951-N953 PolarHBondContact O-N 2.87Å; N951-N953 PolarHBondContact OD1-N 2.9Å; N951-N953 VanDerWaalsContact OD1-N 3.07Å |
| 954 | E | 90.7 | Very high | 89.7 | Confident | 101 Ų | 101 | 47.3 Ų | 47.3 | 47% | 0.472 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -18.3 | -177.4 | -64.4 | -175.9 | -161.6 | 0 | 0 | 113.3 | R956 | E954-R956 HydrophobicContact CB-CB 4.22Å; E954-R956 HydrophobicContact CB-CG 3.93Å; E954-R956 PolarHBondContact O-N 2.88Å; E954-R956 VanDerWaalsContact OE2-CD 3.25Å; E954-R956 WeakPolarHBondContact OE2-CD 3.43Å; E954-R956 IonicContact OE2-CZ 3.26Å; E954-R956 IonicContact OE2-NE 2.83Å; E954-R956 IonicContact OE2-NH1 3.15Å; E954-R956 PolarHBondContact OE2-NH1 3.33Å |
| 955 | G | 91.2 | Very high | 88.5 | Confident | 18 Ų | 18 | 46.4 Ų | 46.4 | 19% | 0.186 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 18 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H918 L920 N951 | H918-G955 VanDerWaalsContact CD2-CA 3.47Å; H918-G955 WeakPolarHBondContact CD2-CA 3.21Å; H918-G955 PolarHBondContact CD2-N 2.99Å; H918-G955 PolarHBondContact NE2-N 3.24Å; L920-G955 WeakPolarHBondContact CD2-O 3.44Å; N951-G955 VanDerWaalsContact O-CA 3.26Å; N951-G955 WeakPolarHBondContact O-CA 3.43Å; N951-G955 PolarHBondContact O-N 2.75Å |
| 956 | R | 92.6 | Very high | 87.1 | Confident | 162 Ų | 162 | 48.7 Ų | 48.7 | 61% | 0.611 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 142.5 | -174.5 | -71.1 | -171.1 | -176 | 158.6 | -13.3 | 112 | W950 N951 E954 L958 | W950-R956 WeakPolarHBondContact CA-O 3.37Å; N951-R956 PolarHBondContact N-O 3.34Å; N951-R956 PolarHBondContact O-N 3.5Å; E954-R956 HydrophobicContact CB-CB 4.22Å; E954-R956 HydrophobicContact CB-CG 3.93Å; E954-R956 PolarHBondContact O-N 2.88Å; E954-R956 VanDerWaalsContact OE2-CD 3.25Å; E954-R956 WeakPolarHBondContact OE2-CD 3.43Å; E954-R956 IonicContact OE2-CZ 3.26Å; E954-R956 IonicContact OE2-NE 2.83Å; E954-R956 IonicContact OE2-NH1 3.15Å; E954-R956 PolarHBondContact OE2-NH1 3.33Å; R956-L958 PolarHBondContact O-N 3.39Å |
| 957 | L | 93.5 | Very high | 85.4 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 37% | 0.366 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 121 | 166.9 | -176.2 | 69.4 | 0 | 0 | 0 | 109 | C948 W950 W959 M960 | C948-L957 HydrophobicContact CB-CD1 3.61Å; W950-L957 HydrophobicContact CD2-CD1 4.16Å; W950-L957 HydrophobicContact CE3-CB 3.9Å; W950-L957 HydrophobicContact CE3-CD1 4.02Å; W950-L957 HydrophobicContact CH2-CB 4.17Å; W950-L957 HydrophobicContact CH2-CD1 3.71Å; W950-L957 HydrophobicContact CH2-CG 4.43Å; W950-L957 HydrophobicContact CZ2-CD1 3.86Å; W950-L957 HydrophobicContact CZ3-CB 3.56Å; W950-L957 HydrophobicContact CZ3-CD1 3.82Å; W950-L957 HydrophobicContact CZ3-CG 4.25Å; L957-W959 WeakPolarHBondContact CD1-O 3.45Å; L957-M960 HydrophobicContact CD1-CB 4.37Å; L957-M960 HydrophobicContact CD2-CB 4.1Å; L957-M960 HydrophobicContact CD2-CE 3.88Å |
| 958 | L | 92.5 | Very high | 83.6 | Confident | 91 Ų | 91 | 60.5 Ų | 60.5 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -49.5 | 175.6 | -67 | 174 | 0 | 0 | 0 | 110.8 | V937 A949 N951 R956 | V937-L958 HydrophobicContact CG1-CD1 4.11Å; V937-L958 HydrophobicContact CG2-CD1 4.06Å; A949-L958 HydrophobicContact CB-CB 4.2Å; A949-L958 PolarHBondContact O-N 2.74Å; N951-L958 HydrophobicContact CB-CD1 4.32Å; N951-L958 HydrophobicContact CB-CD2 4.02Å; N951-L958 HydrophobicContact CB-CG 4.13Å; R956-L958 PolarHBondContact O-N 3.39Å |
| 959 | W | 93.2 | Very high | 81.7 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 157.2 | 176.1 | 52.8 | -102.8 | 0 | 0 | 0 | 110 | F939 L947 A949 L957 T961 L981 K995 G998 | F939-W959 AromaticContact CD1-CH2 3.92Å; F939-W959 HydrophobicContact CD1-CH2 3.92Å; F939-W959 AromaticContact CD1-CZ2 3.76Å; F939-W959 HydrophobicContact CD1-CZ2 3.76Å; F939-W959 HydrophobicContact CE1-CH2 4.04Å; F939-W959 AromaticContact CE1-CZ2 3.39Å; F939-W959 HydrophobicContact CE1-CZ2 3.39Å; L947-W959 HydrophobicContact CD2-CH2 4.1Å; L947-W959 HydrophobicContact CD2-CZ3 4.1Å; A949-W959 HydrophobicContact CB-CD2 3.5Å; A949-W959 HydrophobicContact CB-CE3 4.04Å; A949-W959 HydrophobicContact CB-CG 3.94Å; A949-W959 HydrophobicContact CB-CH2 4.14Å; A949-W959 HydrophobicContact CB-CZ2 3.64Å; A949-W959 HydrophobicContact CB-CZ3 4.31Å; A949-W959 PolarHBondContact N-O 3.36Å; L957-W959 WeakPolarHBondContact CD1-O 3.45Å; W959-T961 HydrophobicContact CZ3-CG2 4.02Å; W959-L981 HydrophobicContact CH2-CD2 3.86Å; W959-K995 WeakPolarHBondContact CZ2-O 3.18Å; W959-K995 PolarHBondContact NE1-O 3.23Å; W959-K995 VanDerWaalsContact NE1-O 3.08Å; W959-G998 VanDerWaalsContact CE3-CA 3.49Å |
| 960 | M | 91.2 | Very high | 80.3 | Confident | 91 Ų | 91 | 67 Ų | 67 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139 | 176 | 176.2 | -173.9 | -72.4 | 0 | 0 | 108.1 | G922 V946 L947 C948 L957 | G922-M960 WeakPolarHBondContact O-CE 3.43Å; V946-M960 HydrophobicContact CG1-CG 3.75Å; V946-M960 HydrophobicContact CG1-SD 4.06Å; L947-M960 CarbonylContact O-C 3.51Å; L947-M960 VanDerWaalsContact O-CA 3.32Å; L947-M960 WeakPolarHBondContact O-CA 3.33Å; C948-M960 WeakPolarHBondContact SG-CE 3.38Å; L957-M960 HydrophobicContact CD1-CB 4.37Å; L957-M960 HydrophobicContact CD2-CB 4.1Å; L957-M960 HydrophobicContact CD2-CE 3.88Å |
| 961 | T | 89.2 | Confident | 79.1 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 10% | 0.104 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 145.1 | 173.2 | -164.6 | 0 | 0 | 0 | 0 | 110.5 | L947 W959 D963 | L947-T961 HydrophobicContact CB-CG2 3.95Å; L947-T961 PolarHBondContact N-O 3.42Å; L947-T961 PolarHBondContact O-N 2.93Å; W959-T961 HydrophobicContact CZ3-CG2 4.02Å; T961-D963 PolarHBondContact OG1-OD1 3.34Å; T961-D963 PolarHBondContact OG1-OD2 2.97Å |
| 962 | D | 84.6 | Confident | 78.5 | Confident | 121 Ų | 121 | 66.5 Ų | 66.5 | 65% | 0.647 | 35% | 0.353 | S | S | * | . | trans | -121.8 | 33.3 | -179.5 | 61.7 | -23.1 | 0 | 0 | 0 | 111.2 | V946 I964 | V946-D962 HydrophobicContact CG2-CB 4.48Å; D962-I964 PolarHBondContact O-N 2.91Å | ||
| 963 | D | 77.1 | Confident | 78.2 | Confident | 50 Ų | 50 | 67.1 Ų | 67.1 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | trans | -63.7 | -26.2 | -176.6 | -64.8 | -54.1 | 0 | 0 | 0 | 114.1 | T961 T965 W991 W993 L1000 | T961-D963 PolarHBondContact OG1-OD1 3.34Å; T961-D963 PolarHBondContact OG1-OD2 2.97Å; D963-T965 VanDerWaalsContact C-N 3.29Å; D963-T965 PolarHBondContact O-N 3.45Å; D963-W991 HydrophobicContact CB-CE3 4.41Å; D963-W991 HydrophobicContact CB-CZ3 4.1Å; D963-W991 WeakPolarHBondContact O-CH2 2.85Å; D963-W991 WeakPolarHBondContact O-CZ3 3.48Å; D963-W993 PolarHBondContact OD2-NE1 2.86Å; D963-L1000 HydrophobicContact CB-CD2 4.26Å | ||
| 964 | I | 72.3 | Confident | 78.2 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | trans | -78.7 | 80.2 | -175.1 | -48.3 | 176.1 | 0 | 0 | 0 | 108.8 | D962 V972 W991 W993 | D962-I964 PolarHBondContact O-N 2.91Å; I964-V972 HydrophobicContact CD1-CG1 4.13Å; I964-V972 HydrophobicContact CD1-CG2 3.98Å; I964-V972 HydrophobicContact CG2-CG2 4.39Å; I964-W991 HydrophobicContact CG1-CD2 4.31Å; I964-W991 HydrophobicContact CG1-CG 4.47Å; I964-W993 HydrophobicContact CD1-CH2 3.55Å; I964-W993 HydrophobicContact CD1-CZ2 3.85Å; I964-W993 HydrophobicContact CG1-CH2 3.82Å; I964-W993 HydrophobicContact CG1-CZ2 3.61Å | ||
| 965 | T | 60.6 | Low | 78 | Confident | 113 Ų | 113 | 61.4 Ų | 61.4 | 69% | 0.693 | 33% | 0.331 | S | S | * | . | trans | -88.7 | 108.9 | 173.1 | 53.5 | 0 | 0 | 0 | 0 | 110 | D963 | D963-T965 VanDerWaalsContact C-N 3.29Å; D963-T965 PolarHBondContact O-N 3.45Å | ||
| 966 | T | 53.5 | Low | 77.8 | Confident | 50 Ų | 50 | 62.1 Ų | 62.1 | 31% | 0.307 | 33% | 0.331 | S | S | . | . | trans | -130.2 | 126.8 | 169.5 | 50.8 | 0 | 0 | 0 | 0 | 110 | S968 A970 | T966-S968 PolarHBondContact O-N 3.42Å; T966-S968 PolarHBondContact OG1-O 3.12Å; T966-S968 VanDerWaalsContact OG1-O 3.13Å; T966-A970 HydrophobicContact CG2-CB 4.38Å; T966-A970 WeakPolarHBondContact OG1-CB 3.43Å | ||
| 967 | D | 55.2 | Low | 77.4 | Confident | 187 Ų | 187 | 54.6 Ų | 54.6 | 100% | 1 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -62.2 | -5.1 | 174.8 | -74 | -19.5 | 0 | 0 | 0 | 113.7 | ||
| 968 | S | 54.2 | Low | 76.6 | Confident | 77 Ų | 77 | 53.8 Ų | 53.8 | 54% | 0.538 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -130.2 | 140.5 | -177.1 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | T966 A970 | T966-S968 PolarHBondContact O-N 3.42Å; T966-S968 PolarHBondContact OG1-O 3.12Å; T966-S968 VanDerWaalsContact OG1-O 3.13Å; S968-A970 WeakPolarHBondContact O-CB 3.35Å; S968-A970 PolarHBondContact O-N 2.98Å |
| 969 | L | 53.6 | Low | 76 | Confident | 133 Ų | 133 | 52 Ų | 52 | 70% | 0.696 | 31% | 0.31 | S | S | * | . | trans | -39.9 | 97.9 | 172.3 | -55.8 | 168.1 | 0 | 0 | 0 | 111.1 | F943 | F943-L969 HydrophobicContact CD1-CD2 4.46Å; F943-L969 HydrophobicContact CE1-CB 4.28Å; F943-L969 HydrophobicContact CE1-CD2 3.25Å; F943-L969 HydrophobicContact CE1-CG 4.29Å; F943-L969 HydrophobicContact CE2-CB 4.43Å; F943-L969 HydrophobicContact CZ-CB 3.67Å; F943-L969 HydrophobicContact CZ-CD1 4.5Å; F943-L969 HydrophobicContact CZ-CD2 3.43Å; F943-L969 VanDerWaalsContact CZ-CD2 3.43Å; F943-L969 HydrophobicContact CZ-CG 4.02Å | ||
| 970 | A | 65 | Low | 75.7 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.033 | 31% | 0.306 | C | S | . | . | trans | -117.3 | 113 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T966 S968 C985 S986 | T966-A970 HydrophobicContact CG2-CB 4.38Å; T966-A970 WeakPolarHBondContact OG1-CB 3.43Å; S968-A970 WeakPolarHBondContact O-CB 3.35Å; S968-A970 PolarHBondContact O-N 2.98Å; A970-C985 WeakPolarHBondContact CB-SG 3.41Å; A970-S986 VanDerWaalsContact CA-OG 3.28Å; A970-S986 WeakPolarHBondContact CA-OG 3.1Å | ||
| 971 | T | 71.3 | Confident | 75.7 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | trans | -70.9 | 134.2 | 172 | 50.1 | 0 | 0 | 0 | 0 | 108.6 | F943 C985 S986 P1023 | F943-T971 HydrophobicContact CE2-CG2 4.4Å; T971-C985 CarbonylContact O-C 3.55Å; T971-C985 WeakPolarHBondContact O-CA 3.48Å; T971-S986 PolarHBondContact N-OG 2.84Å; T971-S986 PolarHBondContact O-N 3.42Å; T971-P1023 WeakPolarHBondContact O-CG 3.23Å; T971-P1023 WeakPolarHBondContact OG1-CD 3.43Å | ||
| 972 | V | 82.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.1 | -179.2 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | I928 S929 I964 Y984 C985 L1022 | I928-V972 HydrophobicContact CD1-CB 4.45Å; I928-V972 VanDerWaalsContact CD1-N 3.31Å; S929-V972 WeakPolarHBondContact CB-O 3.33Å; S929-V972 PolarHBondContact OG-O 2.79Å; I964-V972 HydrophobicContact CD1-CG1 4.13Å; I964-V972 HydrophobicContact CD1-CG2 3.98Å; I964-V972 HydrophobicContact CG2-CG2 4.39Å; V972-Y984 CarbonylContact C-O 3.55Å; V972-Y984 VanDerWaalsContact CA-O 3.29Å; V972-Y984 WeakPolarHBondContact CA-O 3.42Å; V972-C985 HydrophobicContact CG2-CB 4.3Å; V972-L1022 WeakPolarHBondContact O-CD2 3.46Å |
| 973 | S | 86.3 | Confident | 75.9 | Confident | 14 Ų | 14 | 40 Ų | 40 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 133.7 | 168.3 | 62.1 | 0 | 0 | 0 | 0 | 110.3 | G983 Y984 P1023 M1025 | S973-G983 CarbonylContact O-C 3.58Å; S973-G983 WeakPolarHBondContact O-CA 3.33Å; S973-Y984 PolarHBondContact N-O 2.67Å; S973-Y984 PolarHBondContact O-N 3.27Å; S973-P1023 WeakPolarHBondContact CB-O 3.26Å; S973-P1023 PolarHBondContact OG-O 3.35Å; S973-M1025 VanDerWaalsContact O-CE 3.31Å; S973-M1025 WeakPolarHBondContact O-CE 3.34Å |
| 974 | L | 91 | Very high | 76.2 | Confident | 21 Ų | 21 | 38.2 Ų | 38.2 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 138.3 | 177.2 | -71.2 | 171.8 | 0 | 0 | 0 | 110.7 | S929 A931 F939 C941 L947 L981 I982 | S929-L974 WeakPolarHBondContact OG-CG 3.46Å; A931-L974 HydrophobicContact CB-CB 3.84Å; F939-L974 HydrophobicContact CB-CD1 4.38Å; C941-L974 HydrophobicContact CB-CD1 3.69Å; C941-L974 HydrophobicContact CB-CG 4.07Å; L947-L974 HydrophobicContact CD1-CD2 3.68Å; L947-L974 HydrophobicContact CD2-CD1 4.49Å; L947-L974 HydrophobicContact CD2-CD2 4.45Å; L947-L974 HydrophobicContact CG-CD2 4.28Å; L974-L981 HydrophobicContact CD2-CD1 4.06Å; L974-L981 HydrophobicContact CD2-CD2 4.31Å; L974-L981 HydrophobicContact CD2-CG 4.23Å; L974-I982 CarbonylContact C-O 3.52Å; L974-I982 WeakPolarHBondContact CA-O 3.44Å |
| 975 | A | 88.1 | Confident | 76.7 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 149.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | I982 M1025 L1027 | A975-I982 PolarHBondContact N-O 3.41Å; A975-I982 PolarHBondContact O-N 3.03Å; A975-M1025 HydrophobicContact CB-CE 3.35Å; A975-M1025 HydrophobicContact CB-SD 4.26Å; A975-M1025 VanDerWaalsContact N-CE 3.34Å; A975-L1027 HydrophobicContact CB-CB 4.32Å |
| 976 | L | 87.5 | Confident | 77.4 | Confident | 33 Ų | 33 | 34.8 Ų | 34.8 | 17% | 0.173 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.1 | -177.2 | -173.8 | 75 | 0 | 0 | 0 | 110.7 | A931 T932 D933 F939 L981 K995 L1027 | A931-L976 HydrophobicContact CB-CB 4.39Å; T932-L976 WeakPolarHBondContact O-CD2 3.44Å; D933-L976 HydrophobicContact CB-CD2 3.37Å; D933-L976 WeakPolarHBondContact OD1-CD2 3.47Å; F939-L976 HydrophobicContact CD2-CD1 3.88Å; F939-L976 HydrophobicContact CE2-CD1 3.56Å; F939-L976 HydrophobicContact CE2-CD2 4.3Å; F939-L976 HydrophobicContact CZ-CD1 4.43Å; L976-L981 HydrophobicContact CD1-CB 4.45Å; L976-L981 HydrophobicContact CD1-CD1 4.1Å; L976-K995 HydrophobicContact CD1-CD 4.01Å; L976-K995 HydrophobicContact CD1-CG 4.12Å; L976-L1027 WeakPolarHBondContact O-CD2 3.35Å |
| 977 | S | 82.2 | Confident | 78.3 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | trans | -97.4 | 162.1 | 164.8 | 163.1 | 0 | 0 | 0 | 0 | 109.9 | A979 L980 D1030 | S977-A979 PolarHBondContact O-N 3.26Å; S977-L980 WeakPolarHBondContact CA-O 3.49Å; S977-L980 WeakPolarHBondContact CB-O 3.33Å; S977-L980 PolarHBondContact N-O 2.77Å; S977-L980 PolarHBondContact O-N 2.98Å; S977-L980 VanDerWaalsContact O-O 3.13Å; S977-D1030 WeakPolarHBondContact CB-O 3.33Å; S977-D1030 PolarHBondContact OG-O 2.96Å | ||
| 978 | G | 77.6 | Confident | 79.2 | Confident | 52 Ų | 52 | 28.5 Ų | 28.5 | 54% | 0.536 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -48.6 | -38.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | K995 | G978-K995 PolarHBondContact O-NZ 2.92Š|
| 979 | A | 79.8 | Confident | 80.5 | Confident | 54 Ų | 54 | 25.3 Ų | 25.3 | 45% | 0.446 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -114.8 | -13.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S977 K995 | S977-A979 PolarHBondContact O-N 3.26Å; A979-K995 WeakPolarHBondContact O-CB 3.19Å; A979-K995 PolarHBondContact O-N 2.95Å |
| 980 | L | 88.1 | Confident | 82 | Confident | 7 Ų | 7 | 19.2 Ų | 19.2 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140 | -167.6 | -64.5 | 175 | 0 | 0 | 0 | 111.2 | W695 S977 W993 L1001 V1046 L1047 | W695-L980 HydrophobicContact CH2-CD2 3.93Å; W695-L980 HydrophobicContact CZ3-CD2 4.43Å; S977-L980 WeakPolarHBondContact CA-O 3.49Å; S977-L980 WeakPolarHBondContact CB-O 3.33Å; S977-L980 PolarHBondContact N-O 2.77Å; S977-L980 PolarHBondContact O-N 2.98Å; S977-L980 VanDerWaalsContact O-O 3.13Å; L980-W993 WeakPolarHBondContact CA-O 3.37Å; L980-L1001 HydrophobicContact CD2-CD1 3.15Å; L980-V1046 HydrophobicContact CD1-CG1 4.12Å; L980-L1047 HydrophobicContact CD1-CD2 3.46Å; L980-L1047 VanDerWaalsContact CD1-CD2 3.46Å |
| 981 | L | 90.1 | Very high | 83 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133.4 | 164.7 | 178.4 | 72.7 | 0 | 0 | 0 | 108.7 | F939 L947 W959 L974 L976 L992 W993 | F939-L981 HydrophobicContact CB-CD1 3.9Å; F939-L981 HydrophobicContact CB-CD2 4.19Å; F939-L981 HydrophobicContact CD1-CD1 4.46Å; F939-L981 HydrophobicContact CD1-CD2 3.92Å; F939-L981 HydrophobicContact CD2-CD1 4.01Å; F939-L981 HydrophobicContact CG-CD1 3.84Å; F939-L981 HydrophobicContact CG-CD2 4.07Å; L947-L981 HydrophobicContact CD1-CD2 3.94Å; L947-L981 HydrophobicContact CD2-CD2 3.37Å; L947-L981 HydrophobicContact CG-CD2 4.3Å; W959-L981 HydrophobicContact CH2-CD2 3.86Å; L974-L981 HydrophobicContact CD2-CD1 4.06Å; L974-L981 HydrophobicContact CD2-CD2 4.31Å; L974-L981 HydrophobicContact CD2-CG 4.23Å; L976-L981 HydrophobicContact CD1-CB 4.45Å; L976-L981 HydrophobicContact CD1-CD1 4.1Å; L981-L992 WeakPolarHBondContact O-CA 3.35Å; L981-W993 HydrophobicContact CB-CB 4.27Å; L981-W993 HydrophobicContact CD2-CE3 4.18Å; L981-W993 HydrophobicContact CG-CE3 4.22Å; L981-W993 PolarHBondContact N-O 2.8Å; L981-W993 PolarHBondContact O-N 3.27Å |
| 982 | I | 89.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.5 | -174.2 | -50.5 | 168 | 0 | 0 | 0 | 107.9 | L974 A975 L990 W991 L992 M1025 L1027 V1033 V1046 | L974-I982 CarbonylContact C-O 3.52Å; L974-I982 WeakPolarHBondContact CA-O 3.44Å; A975-I982 PolarHBondContact N-O 3.41Å; A975-I982 PolarHBondContact O-N 3.03Å; I982-L990 HydrophobicContact CG2-CD1 4.05Å; I982-L990 HydrophobicContact CG2-CD2 4.06Å; I982-L990 HydrophobicContact CG2-CG 4.01Å; I982-W991 WeakPolarHBondContact CA-O 3.32Å; I982-L992 HydrophobicContact CB-CD2 4.1Å; I982-L992 HydrophobicContact CG1-CD2 3.66Å; I982-L992 HydrophobicContact CG2-CD2 3.86Å; I982-M1025 HydrophobicContact CB-CE 4.47Å; I982-M1025 HydrophobicContact CB-SD 4.49Å; I982-M1025 HydrophobicContact CG2-CE 4.18Å; I982-M1025 HydrophobicContact CG2-SD 3.69Å; I982-L1027 HydrophobicContact CD1-CD1 3.98Å; I982-V1033 HydrophobicContact CD1-CG2 3.68Å; I982-V1046 HydrophobicContact CD1-CB 4.41Å; I982-V1046 HydrophobicContact CD1-CG1 3.97Å; I982-V1046 HydrophobicContact CD1-CG2 4.02Å; I982-V1046 HydrophobicContact CG1-CG1 4.19Å |
| 983 | G | 88.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | S973 L990 W991 | S973-G983 CarbonylContact O-C 3.58Å; S973-G983 WeakPolarHBondContact O-CA 3.33Å; G983-L990 CarbonylContact O-C 3.55Å; G983-L990 WeakPolarHBondContact O-CA 3.38Å; G983-W991 PolarHBondContact N-O 3.38Å; G983-W991 PolarHBondContact O-N 3.34Å |
| 984 | Y | 84.9 | Confident | 84.4 | Confident | 13 Ų | 13 | 19.1 Ų | 19.1 | 5% | 0.051 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124 | 172.7 | 179 | -122.7 | 0 | 0 | 0 | 109.5 | V972 S973 H988 L990 P1023 M1025 I1035 | V972-Y984 CarbonylContact C-O 3.55Å; V972-Y984 VanDerWaalsContact CA-O 3.29Å; V972-Y984 WeakPolarHBondContact CA-O 3.42Å; S973-Y984 PolarHBondContact N-O 2.67Å; S973-Y984 PolarHBondContact O-N 3.27Å; Y984-H988 PolarHBondContact OH-ND1 2.95Å; Y984-L990 HydrophobicContact CD2-CB 4.42Å; Y984-P1023 HydrophobicContact CD1-CB 3.52Å; Y984-P1023 HydrophobicContact CD1-CG 4.09Å; Y984-P1023 HydrophobicContact CE1-CB 3.54Å; Y984-P1023 WeakPolarHBondContact O-CG 3.39Å; Y984-M1025 HydrophobicContact CD1-CB 4.26Å; Y984-I1035 HydrophobicContact CD1-CG2 3.89Å; Y984-I1035 HydrophobicContact CD2-CD1 4.1Å; Y984-I1035 HydrophobicContact CD2-CG2 4.26Å; Y984-I1035 HydrophobicContact CE1-CG2 3.31Å; Y984-I1035 HydrophobicContact CE2-CD1 4.19Å; Y984-I1035 HydrophobicContact CE2-CG2 3.72Å; Y984-I1035 HydrophobicContact CG-CG2 4.35Å; Y984-I1035 WeakPolarHBondContact OH-CG2 3.35Å |
| 985 | C | 82.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 147.3 | -172.8 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | A970 T971 V972 S987 H988 S989 | A970-C985 WeakPolarHBondContact CB-SG 3.41Å; T971-C985 CarbonylContact O-C 3.55Å; T971-C985 WeakPolarHBondContact O-CA 3.48Å; V972-C985 HydrophobicContact CG2-CB 4.3Å; C985-S987 PolarHBondContact O-N 2.8Å; C985-S987 VanDerWaalsContact O-N 3.09Å; C985-S987 PolarHBondContact SG-OG 2.81Å; C985-H988 WeakPolarHBondContact O-CA 3.49Å; C985-H988 PolarHBondContact O-N 2.85Å; C985-S989 WeakPolarHBondContact CB-O 3.48Å; C985-S989 PolarHBondContact N-O 2.79Å |
| 986 | S | 74.7 | Confident | 84 | Confident | 48 Ų | 48 | 24.3 Ų | 24.3 | 34% | 0.336 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.8 | 174.6 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | A970 T971 H988 | A970-S986 VanDerWaalsContact CA-OG 3.28Å; A970-S986 WeakPolarHBondContact CA-OG 3.1Å; T971-S986 PolarHBondContact N-OG 2.84Å; T971-S986 PolarHBondContact O-N 3.42Å; S986-H988 PolarHBondContact O-N 2.79Å |
| 987 | S | 71.8 | Confident | 84 | Confident | 32 Ų | 32 | 26.1 Ų | 26.1 | 22% | 0.224 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 12.2 | 168.2 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | C985 S989 | C985-S987 PolarHBondContact O-N 2.8Å; C985-S987 VanDerWaalsContact O-N 3.09Å; C985-S987 PolarHBondContact SG-OG 2.81Å; S987-S989 PolarHBondContact O-N 3.07Å; S987-S989 VanDerWaalsContact O-N 3.15Å; S987-S989 PolarHBondContact OG-OG 3.14Å |
| 988 | H | 75.2 | Confident | 84 | Confident | 74 Ų | 74 | 26.1 Ų | 26.1 | 34% | 0.343 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 57.7 | 21 | -174.1 | -54.9 | -67.3 | 0 | 0 | 0 | 114.2 | Y984 C985 S986 P1006 | Y984-H988 PolarHBondContact OH-ND1 2.95Å; C985-H988 WeakPolarHBondContact O-CA 3.49Å; C985-H988 PolarHBondContact O-N 2.85Å; S986-H988 PolarHBondContact O-N 2.79Å; H988-P1006 HydrophobicContact CB-CB 4.41Å; H988-P1006 HydrophobicContact CB-CG 4.19Å |
| 989 | S | 81 | Confident | 84.5 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | trans | -96.5 | 132.4 | 178.1 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | C985 S987 I1004 P1006 | C985-S989 WeakPolarHBondContact CB-O 3.48Å; C985-S989 PolarHBondContact N-O 2.79Å; S987-S989 PolarHBondContact O-N 3.07Å; S987-S989 VanDerWaalsContact O-N 3.15Å; S987-S989 PolarHBondContact OG-OG 3.14Å; S989-I1004 CarbonylContact C-O 3.55Å; S989-I1004 WeakPolarHBondContact CA-O 3.29Å; S989-P1006 WeakPolarHBondContact OG-CD 3.45Å | ||
| 990 | L | 84.8 | Confident | 84.8 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.1 | 177.2 | -171.1 | 140.2 | 0 | 0 | 0 | 110.5 | I982 G983 Y984 L992 I1004 M1025 V1033 I1035 | I982-L990 HydrophobicContact CG2-CD1 4.05Å; I982-L990 HydrophobicContact CG2-CD2 4.06Å; I982-L990 HydrophobicContact CG2-CG 4.01Å; G983-L990 CarbonylContact O-C 3.55Å; G983-L990 WeakPolarHBondContact O-CA 3.38Å; Y984-L990 HydrophobicContact CD2-CB 4.42Å; L990-L992 HydrophobicContact CD2-CD1 4.2Å; L990-L992 HydrophobicContact CD2-CD2 3.7Å; L990-L992 HydrophobicContact CD2-CG 3.82Å; L990-I1004 HydrophobicContact CB-CB 4.29Å; L990-I1004 HydrophobicContact CD2-CD1 4.03Å; L990-I1004 PolarHBondContact N-O 3.2Å; L990-I1004 PolarHBondContact O-N 2.76Å; L990-M1025 HydrophobicContact CD1-SD 4.48Å; L990-V1033 HydrophobicContact CD1-CG1 4.47Å; L990-I1035 HydrophobicContact CD1-CD1 3.51Å |
| 991 | W | 87.2 | Confident | 84.6 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 139.2 | -174.2 | -63.8 | 81.3 | 0 | 0 | 0 | 110.1 | D963 I964 I982 G983 W993 L1000 C1003 | D963-W991 HydrophobicContact CB-CE3 4.41Å; D963-W991 HydrophobicContact CB-CZ3 4.1Å; D963-W991 WeakPolarHBondContact O-CH2 2.85Å; D963-W991 WeakPolarHBondContact O-CZ3 3.48Å; I964-W991 HydrophobicContact CG1-CD2 4.31Å; I964-W991 HydrophobicContact CG1-CG 4.47Å; I982-W991 WeakPolarHBondContact CA-O 3.32Å; G983-W991 PolarHBondContact N-O 3.38Å; G983-W991 PolarHBondContact O-N 3.34Å; W991-W993 HydrophobicContact CB-CE3 4.27Å; W991-W993 HydrophobicContact CB-CH2 3.09Å; W991-W993 HydrophobicContact CB-CZ2 3.49Å; W991-W993 VanDerWaalsContact CB-CZ2 3.49Å; W991-W993 HydrophobicContact CB-CZ3 3.55Å; W991-W993 HydrophobicContact CD2-CZ2 4.35Å; W991-W993 HydrophobicContact CE3-CZ2 4.23Å; W991-W993 AromaticContact CG-CH2 3.88Å; W991-W993 HydrophobicContact CG-CH2 3.88Å; W991-W993 HydrophobicContact CG-CZ2 4.09Å; W991-L1000 HydrophobicContact CE3-CD1 3.63Å; W991-L1000 HydrophobicContact CE3-CD2 4.12Å; W991-L1000 HydrophobicContact CZ3-CD1 4.23Å; W991-L1000 HydrophobicContact CZ3-CD2 3.86Å; W991-C1003 HydrophobicContact CD2-CB 4.16Å; W991-C1003 HydrophobicContact CE3-CB 3.81Å; W991-C1003 HydrophobicContact CH2-CB 4.31Å; W991-C1003 VanDerWaalsContact CZ2-SG 3.53Å; W991-C1003 HydrophobicContact CZ3-CB 3.88Å |
| 992 | L | 89.5 | Confident | 84.2 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 118.7 | -174 | -62.6 | 176.1 | 0 | 0 | 0 | 110.5 | L981 I982 L990 L1001 S1002 I1004 V1046 | L981-L992 WeakPolarHBondContact O-CA 3.35Å; I982-L992 HydrophobicContact CB-CD2 4.1Å; I982-L992 HydrophobicContact CG1-CD2 3.66Å; I982-L992 HydrophobicContact CG2-CD2 3.86Å; L990-L992 HydrophobicContact CD2-CD1 4.2Å; L990-L992 HydrophobicContact CD2-CD2 3.7Å; L990-L992 HydrophobicContact CD2-CG 3.82Å; L992-L1001 WeakPolarHBondContact O-CB 3.43Å; L992-L1001 PolarHBondContact O-N 3.17Å; L992-S1002 PolarHBondContact N-O 2.89Å; L992-S1002 PolarHBondContact O-N 2.9Å; L992-I1004 HydrophobicContact CD1-CD1 4.49Å; L992-V1046 HydrophobicContact CD1-CG1 3.62Å; L992-V1046 HydrophobicContact CD2-CG1 3.18Å; L992-V1046 HydrophobicContact CG-CG1 4.04Å |
| 993 | W | 89.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 149.4 | 176.9 | -59.1 | -92.9 | 0 | 0 | 0 | 111.7 | L947 D963 I964 L980 L981 W991 K995 H999 | L947-W993 HydrophobicContact CD1-CD2 4.28Å; L947-W993 HydrophobicContact CD1-CE3 3.97Å; L947-W993 HydrophobicContact CD1-CH2 3.65Å; L947-W993 HydrophobicContact CD1-CZ2 4.02Å; L947-W993 HydrophobicContact CD1-CZ3 3.61Å; D963-W993 PolarHBondContact OD2-NE1 2.86Å; I964-W993 HydrophobicContact CD1-CH2 3.55Å; I964-W993 HydrophobicContact CD1-CZ2 3.85Å; I964-W993 HydrophobicContact CG1-CH2 3.82Å; I964-W993 HydrophobicContact CG1-CZ2 3.61Å; L980-W993 WeakPolarHBondContact CA-O 3.37Å; L981-W993 HydrophobicContact CB-CB 4.27Å; L981-W993 HydrophobicContact CD2-CE3 4.18Å; L981-W993 HydrophobicContact CG-CE3 4.22Å; L981-W993 PolarHBondContact N-O 2.8Å; L981-W993 PolarHBondContact O-N 3.27Å; W991-W993 HydrophobicContact CB-CE3 4.27Å; W991-W993 HydrophobicContact CB-CH2 3.09Å; W991-W993 HydrophobicContact CB-CZ2 3.49Å; W991-W993 VanDerWaalsContact CB-CZ2 3.49Å; W991-W993 HydrophobicContact CB-CZ3 3.55Å; W991-W993 HydrophobicContact CD2-CZ2 4.35Å; W991-W993 HydrophobicContact CE3-CZ2 4.23Å; W991-W993 AromaticContact CG-CH2 3.88Å; W991-W993 HydrophobicContact CG-CH2 3.88Å; W991-W993 HydrophobicContact CG-CZ2 4.09Å; W993-K995 PolarHBondContact O-N 3.11Å; W993-H999 WeakPolarHBondContact CA-O 3.1Å |
| 994 | S | 89.1 | Confident | 83.4 | Confident | 19 Ų | 19 | 36.6 Ų | 36.6 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 117.7 | 163.6 | 168.7 | 0 | 0 | 0 | 0 | 108.7 | C996 T997 G998 H999 | S994-C996 VanDerWaalsContact C-N 3.28Å; S994-C996 PolarHBondContact O-N 3.38Å; S994-T997 WeakPolarHBondContact CB-OG1 3.49Å; S994-T997 PolarHBondContact O-N 3.49Å; S994-T997 PolarHBondContact OG-N 2.84Å; S994-T997 PolarHBondContact OG-OG1 2.85Å; S994-G998 WeakPolarHBondContact O-CA 3.48Å; S994-G998 PolarHBondContact O-N 3.16Å; S994-H999 PolarHBondContact N-O 3.07Å |
| 995 | K | 86.5 | Confident | 83 | Confident | 32 Ų | 32 | 42.7 Ų | 42.7 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -41.7 | -179.9 | 179.3 | -173.8 | 170.8 | -179.9 | 0 | 113.4 | D933 F939 W959 L976 G978 A979 W993 | D933-K995 WeakPolarHBondContact OD1-CE 3.3Å; D933-K995 IonicContact OD1-NZ 2.79Å; D933-K995 PolarHBondContact OD1-NZ 2.95Å; D933-K995 WeakPolarHBondContact OD2-CE 3.25Å; D933-K995 IonicContact OD2-NZ 3.21Å; D933-K995 PolarHBondContact OD2-NZ 3.48Å; F939-K995 HydrophobicContact CE1-CG 4.45Å; F939-K995 HydrophobicContact CE2-CG 4Å; F939-K995 HydrophobicContact CZ-CG 3.51Å; W959-K995 WeakPolarHBondContact CZ2-O 3.18Å; W959-K995 PolarHBondContact NE1-O 3.23Å; W959-K995 VanDerWaalsContact NE1-O 3.08Å; L976-K995 HydrophobicContact CD1-CD 4.01Å; L976-K995 HydrophobicContact CD1-CG 4.12Å; G978-K995 PolarHBondContact O-NZ 2.92Å; A979-K995 WeakPolarHBondContact O-CB 3.19Å; A979-K995 PolarHBondContact O-N 2.95Å; W993-K995 PolarHBondContact O-N 3.11Å |
| 996 | C | 85.9 | Confident | 82.2 | Confident | 110 Ų | 110 | 45.1 Ų | 45.1 | 74% | 0.743 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -34.2 | -175.3 | -60.2 | 0 | 0 | 0 | 0 | 113.3 | S994 | S994-C996 VanDerWaalsContact C-N 3.28Å; S994-C996 PolarHBondContact O-N 3.38Å |
| 997 | T | 85.8 | Confident | 81.1 | Confident | 71 Ų | 71 | 47.9 Ų | 47.9 | 44% | 0.436 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -12.6 | -170.6 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | S994 H999 | S994-T997 WeakPolarHBondContact CB-OG1 3.49Å; S994-T997 PolarHBondContact O-N 3.49Å; S994-T997 PolarHBondContact OG-N 2.84Å; S994-T997 PolarHBondContact OG-OG1 2.85Å; T997-H999 VanDerWaalsContact CB-CD2 3.48Å; T997-H999 WeakPolarHBondContact CB-CD2 3.12Å; T997-H999 PolarHBondContact O-N 3.2Å; T997-H999 VanDerWaalsContact O-N 3.13Å; T997-H999 PolarHBondContact OG1-CD2 3.03Å; T997-H999 PolarHBondContact OG1-N 2.83Å |
| 998 | G | 84.2 | Confident | 79.7 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | trans | 69.2 | 1.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | W959 S994 L1000 | W959-G998 VanDerWaalsContact CE3-CA 3.49Å; S994-G998 WeakPolarHBondContact O-CA 3.48Å; S994-G998 PolarHBondContact O-N 3.16Å; G998-L1000 PolarHBondContact O-N 2.95Å | ||
| 999 | H | 86.9 | Confident | 78.4 | Confident | 129 Ų | 129 | 56.4 Ų | 56.4 | 60% | 0.597 | 32% | 0.315 | S | S | * | . | trans | -72.3 | 131.6 | -178.4 | -69.7 | -44.9 | 0 | 0 | 0 | 111.1 | W993 S994 T997 L1001 | W993-H999 WeakPolarHBondContact CA-O 3.1Å; S994-H999 PolarHBondContact N-O 3.07Å; T997-H999 VanDerWaalsContact CB-CD2 3.48Å; T997-H999 WeakPolarHBondContact CB-CD2 3.12Å; T997-H999 PolarHBondContact O-N 3.2Å; T997-H999 VanDerWaalsContact O-N 3.13Å; T997-H999 PolarHBondContact OG1-CD2 3.03Å; T997-H999 PolarHBondContact OG1-N 2.83Å; H999-L1001 PolarHBondContact O-N 2.79Å | ||
| 1000 | L | 85.7 | Confident | 76.7 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 118.4 | 168.5 | -176.4 | 65.6 | 0 | 0 | 0 | 110.3 | D963 W991 G998 S1002 | D963-L1000 HydrophobicContact CB-CD2 4.26Å; W991-L1000 HydrophobicContact CE3-CD1 3.63Å; W991-L1000 HydrophobicContact CE3-CD2 4.12Å; W991-L1000 HydrophobicContact CZ3-CD1 4.23Å; W991-L1000 HydrophobicContact CZ3-CD2 3.86Å; G998-L1000 PolarHBondContact O-N 2.95Å; L1000-S1002 WeakPolarHBondContact CD1-O 3.38Å |
| 1001 | L | 83.5 | Confident | 74.5 | Confident | 58 Ų | 58 | 71 Ų | 71 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -35.9 | 176.6 | -64 | 169.9 | 0 | 0 | 0 | 111.6 | W695 L980 L992 H999 R1049 | W695-L1001 HydrophobicContact CH2-CD1 4.33Å; W695-L1001 HydrophobicContact CZ3-CD1 3.8Å; W695-L1001 HydrophobicContact CZ3-CD2 4.21Å; L980-L1001 HydrophobicContact CD2-CD1 3.15Å; L992-L1001 WeakPolarHBondContact O-CB 3.43Å; L992-L1001 PolarHBondContact O-N 3.17Å; H999-L1001 PolarHBondContact O-N 2.79Å; L1001-R1049 PolarHBondContact O-NH2 3.2Å |
| 1002 | S | 83 | Confident | 72.6 | Confident | 13 Ų | 13 | 75.2 Ų | 75.2 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 146.5 | -179.6 | -160.7 | 0 | 0 | 0 | 0 | 111.8 | L992 L1000 R1049 | L992-S1002 PolarHBondContact N-O 2.89Å; L992-S1002 PolarHBondContact O-N 2.9Å; L1000-S1002 WeakPolarHBondContact CD1-O 3.38Å; S1002-R1049 WeakPolarHBondContact OG-CD 3.34Å; S1002-R1049 PolarHBondContact OG-NE 2.98Å; S1002-R1049 PolarHBondContact OG-NH1 3.13Å |
| 1003 | C | 81.8 | Confident | 70.4 | Confident | 42 Ų | 42 | 77.1 Ų | 77.1 | 28% | 0.284 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128 | 161.2 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | W991 K1005 | W991-C1003 HydrophobicContact CD2-CB 4.16Å; W991-C1003 HydrophobicContact CE3-CB 3.81Å; W991-C1003 HydrophobicContact CH2-CB 4.31Å; W991-C1003 VanDerWaalsContact CZ2-SG 3.53Å; W991-C1003 HydrophobicContact CZ3-CB 3.88Å; C1003-K1005 VanDerWaalsContact SG-CG 3.59Å |
| 1004 | I | 79.2 | Confident | 68.1 | Low | 27 Ų | 27 | 82 Ų | 82 | 14% | 0.138 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 98.5 | 175.2 | -54.2 | -179.1 | 0 | 0 | 0 | 106.2 | S989 L990 L992 W1044 R1049 | S989-I1004 CarbonylContact C-O 3.55Å; S989-I1004 WeakPolarHBondContact CA-O 3.29Å; L990-I1004 HydrophobicContact CB-CB 4.29Å; L990-I1004 HydrophobicContact CD2-CD1 4.03Å; L990-I1004 PolarHBondContact N-O 3.2Å; L990-I1004 PolarHBondContact O-N 2.76Å; L992-I1004 HydrophobicContact CD1-CD1 4.49Å; I1004-W1044 HydrophobicContact CD1-CE3 4.38Å; I1004-W1044 HydrophobicContact CD1-CZ3 4.27Å; I1004-W1044 HydrophobicContact CG2-CH2 3.82Å; I1004-W1044 HydrophobicContact CG2-CZ3 3.68Å; I1004-R1049 HydrophobicContact CD1-CB 3.86Å; I1004-R1049 HydrophobicContact CD1-CG 4.31Å |
| 1005 | K | 75.5 | Confident | 65.9 | Low | 140 Ų | 140 | 83 Ų | 83 | 61% | 0.609 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -87.4 | 149.8 | 175.5 | -62.8 | -172.7 | 178.3 | -175.3 | 0 | 110.4 | C1003 | C1003-K1005 VanDerWaalsContact SG-CG 3.59Š|
| 1006 | P | 64.9 | Low | 63.5 | Low | 52 Ų | 52 | 89.6 Ų | 89.6 | 34% | 0.338 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 156.5 | 168.9 | 28.9 | -34.5 | 0 | 0 | 0 | 110.8 | H988 S989 E1008 | H988-P1006 HydrophobicContact CB-CB 4.41Å; H988-P1006 HydrophobicContact CB-CG 4.19Å; S989-P1006 WeakPolarHBondContact OG-CD 3.45Å; P1006-E1008 PolarHBondContact O-N 3.47Å |
| 1007 | E | 52.6 | Low | 61.3 | Low | 106 Ų | 106 | 87.9 Ų | 87.9 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 128.9 | -180 | -76.6 | 174.9 | 172.9 | 0 | 0 | 111.2 | R706 G1009 Q1010 | R706-E1007 WeakPolarHBondContact CD-OE1 3.22Å; R706-E1007 IonicContact CZ-OE1 3.67Å; R706-E1007 IonicContact CZ-OE2 2.83Å; R706-E1007 IonicContact NE-OE1 3.37Å; R706-E1007 PolarHBondContact NE-OE1 2.96Å; R706-E1007 IonicContact NH1-OE1 3.34Å; R706-E1007 PolarHBondContact NH1-OE1 2.9Å; R706-E1007 IonicContact NH1-OE2 2.74Å; R706-E1007 PolarHBondContact NH1-OE2 3.16Å; R706-E1007 IonicContact NH2-OE1 2.86Å; E1007-G1009 PolarHBondContact O-N 2.74Å; E1007-Q1010 PolarHBondContact O-N 3.47Å |
| 1008 | E | 42.3 | Very low | 59.2 | Low | 209 Ų | 209 | 86.6 Ų | 86.6 | 98% | 0.977 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 98.6 | 173.5 | -81.8 | -179.2 | 164.2 | 0 | 0 | 110 | P1006 | P1006-E1008 PolarHBondContact O-N 3.47Š|
| 1009 | G | 48.2 | Very low | 57 | Low | 76 Ų | 76 | 91 Ų | 91 | 78% | 0.784 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 157.3 | -27.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1007 K1011 | E1007-G1009 PolarHBondContact O-N 2.74Å; G1009-K1011 PolarHBondContact O-N 3.34Å |
| 1010 | Q | 45.4 | Very low | 54.8 | Low | 137 Ų | 137 | 94.4 Ų | 94.4 | 64% | 0.64 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -82 | 94.9 | 161.5 | -66.6 | -173.5 | 1.2 | 0 | 0 | 108 | E1007 | E1007-Q1010 PolarHBondContact O-N 3.47Š|
| 1011 | K | 38.2 | Very low | 53.3 | Low | 183 Ų | 183 | 95.4 Ų | 95.4 | 80% | 0.796 | 52% | 0.518 | S | S | * | . | trans | -52.8 | 132.5 | 167.2 | -76.3 | -179.1 | 176.5 | 178.7 | 0 | 107.9 | G1009 A1013 | G1009-K1011 PolarHBondContact O-N 3.34Å; K1011-A1013 PolarHBondContact O-N 2.88Å | ||
| 1012 | P | 47.1 | Very low | 52.1 | Low | 102 Ų | 102 | 96.2 Ų | 96.2 | 66% | 0.662 | 52% | 0.522 | S | S | * | . | trans | -65.1 | 90.1 | 170.2 | 27.8 | -32.3 | 0 | 0 | 0 | 107 | I1014 | P1012-I1014 PolarHBondContact O-N 2.86Š| ||
| 1013 | A | 43.4 | Very low | 51.3 | Low | 43 Ų | 43 | 96.4 Ų | 96.4 | 36% | 0.355 | 52% | 0.523 | S | S | . | . | trans | -62.3 | 111.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 104.8 | K1011 D1015 R1038 | K1011-A1013 PolarHBondContact O-N 2.88Å; A1013-D1015 PolarHBondContact O-N 2.73Å; A1013-R1038 PolarHBondContact O-NH2 2.93Å | ||
| 1014 | I | 42.1 | Very low | 50.9 | Low | 104 Ų | 104 | 96.1 Ų | 96.1 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | trans | -53.7 | 108.8 | 178.2 | -60 | 161.9 | 0 | 0 | 0 | 106.3 | P1012 F1016 | P1012-I1014 PolarHBondContact O-N 2.86Å; I1014-F1016 VanDerWaalsContact C-N 3.3Å; I1014-F1016 HydrophobicContact CB-CE2 4.37Å; I1014-F1016 HydrophobicContact CG2-CD1 4.41Å; I1014-F1016 HydrophobicContact CG2-CD2 4.49Å; I1014-F1016 HydrophobicContact CG2-CE1 4.36Å; I1014-F1016 HydrophobicContact CG2-CE2 4.44Å; I1014-F1016 HydrophobicContact CG2-CG 4.48Å; I1014-F1016 HydrophobicContact CG2-CZ 4.38Å; I1014-F1016 WeakPolarHBondContact O-CD2 3.25Å; I1014-F1016 PolarHBondContact O-N 3.09Å | ||
| 1015 | D | 42.1 | Very low | 51.2 | Low | 40 Ų | 40 | 96 Ų | 96 | 21% | 0.214 | 52% | 0.517 | C | S | . | . | trans | -72.9 | 94.8 | 169.2 | -98 | -16.7 | 0 | 0 | 0 | 107.4 | A1013 G1017 C1018 Q1062 | A1013-D1015 PolarHBondContact O-N 2.73Å; D1015-G1017 PolarHBondContact O-N 3.41Å; D1015-G1017 VanDerWaalsContact O-N 3.1Å; D1015-C1018 PolarHBondContact O-N 2.91Å; D1015-C1018 VanDerWaalsContact O-N 3.15Å; D1015-Q1062 WeakPolarHBondContact OD1-CG 3.38Å; D1015-Q1062 PolarHBondContact OD1-NE2 3.2Å; D1015-Q1062 VanDerWaalsContact OD1-NE2 3.12Å | ||
| 1016 | F | 36.2 | Very low | 51.7 | Low | 170 Ų | 170 | 90.2 Ų | 90.2 | 75% | 0.746 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -23.2 | 176.3 | -73 | -82.5 | 0 | 0 | 0 | 112.3 | I1014 L1019 | I1014-F1016 VanDerWaalsContact C-N 3.3Å; I1014-F1016 HydrophobicContact CB-CE2 4.37Å; I1014-F1016 HydrophobicContact CG2-CD1 4.41Å; I1014-F1016 HydrophobicContact CG2-CD2 4.49Å; I1014-F1016 HydrophobicContact CG2-CE1 4.36Å; I1014-F1016 HydrophobicContact CG2-CE2 4.44Å; I1014-F1016 HydrophobicContact CG2-CG 4.48Å; I1014-F1016 HydrophobicContact CG2-CZ 4.38Å; I1014-F1016 WeakPolarHBondContact O-CD2 3.25Å; I1014-F1016 PolarHBondContact O-N 3.09Å; F1016-L1019 HydrophobicContact CD1-CD1 4.35Å |
| 1017 | G | 39.4 | Very low | 52.7 | Low | 74 Ų | 74 | 89.2 Ų | 89.2 | 76% | 0.763 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -19.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | D1015 | D1015-G1017 PolarHBondContact O-N 3.41Å; D1015-G1017 VanDerWaalsContact O-N 3.1Å |
| 1018 | C | 41.5 | Very low | 53.8 | Low | 44 Ų | 44 | 84.2 Ų | 84.2 | 30% | 0.297 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -122.6 | 13.4 | -171.4 | -67.6 | 0 | 0 | 0 | 0 | 114.4 | D1015 F1020 D1021 | D1015-C1018 PolarHBondContact O-N 2.91Å; D1015-C1018 VanDerWaalsContact O-N 3.15Å; C1018-F1020 PolarHBondContact O-N 3Å; C1018-D1021 HydrophobicContact CB-CB 4.43Å; C1018-D1021 PolarHBondContact O-N 3.08Å; C1018-D1021 VanDerWaalsContact O-N 3.08Å |
| 1019 | L | 37.4 | Very low | 55.3 | Low | 96 Ų | 96 | 78.6 Ų | 78.6 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -26.9 | 179.8 | -84.2 | 158.4 | 0 | 0 | 0 | 113.8 | F1016 | F1016-L1019 HydrophobicContact CD1-CD1 4.35Š|
| 1020 | F | 42.3 | Very low | 56.4 | Low | 202 Ų | 202 | 80.1 Ų | 80.1 | 89% | 0.886 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -8 | -179.4 | -61.7 | -76.1 | 0 | 0 | 0 | 114.3 | C1018 | C1018-F1020 PolarHBondContact O-N 3Š|
| 1021 | D | 53.1 | Low | 57.9 | Low | 86 Ų | 86 | 76.3 Ų | 76.3 | 46% | 0.46 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -86.3 | 126.9 | 176.9 | -91.7 | -12.4 | 0 | 0 | 0 | 109.7 | C1018 | C1018-D1021 HydrophobicContact CB-CB 4.43Å; C1018-D1021 PolarHBondContact O-N 3.08Å; C1018-D1021 VanDerWaalsContact O-N 3.08Å |
| 1022 | L | 57.9 | Low | 60.1 | Low | 75 Ų | 75 | 68.2 Ų | 68.2 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 136.9 | 168.8 | -87.7 | 134.8 | 0 | 0 | 0 | 109.2 | V972 Q1024 | V972-L1022 WeakPolarHBondContact O-CD2 3.46Å; L1022-Q1024 PolarHBondContact O-N 3.01Å; L1022-Q1024 VanDerWaalsContact O-N 3.12Å |
| 1023 | P | 66.3 | Low | 61.9 | Low | 16 Ų | 16 | 63.4 Ų | 63.4 | 10% | 0.104 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -64 | 121.2 | -176.8 | 29.9 | -37.8 | 0 | 0 | 0 | 109.1 | T971 S973 Y984 M1025 | T971-P1023 WeakPolarHBondContact O-CG 3.23Å; T971-P1023 WeakPolarHBondContact OG1-CD 3.43Å; S973-P1023 WeakPolarHBondContact CB-O 3.26Å; S973-P1023 PolarHBondContact OG-O 3.35Å; Y984-P1023 HydrophobicContact CD1-CB 3.52Å; Y984-P1023 HydrophobicContact CD1-CG 4.09Å; Y984-P1023 HydrophobicContact CE1-CB 3.54Å; Y984-P1023 WeakPolarHBondContact O-CG 3.39Å; P1023-M1025 PolarHBondContact O-N 3.1Å; P1023-M1025 VanDerWaalsContact O-N 3.14Å |
| 1024 | Q | 74.7 | Confident | 63.9 | Low | 37 Ų | 37 | 61.3 Ų | 61.3 | 17% | 0.173 | 33% | 0.325 | C | S | . | . | trans | -75.4 | 110.3 | -167.8 | -65.1 | -178.1 | 16.5 | 0 | 0 | 110.9 | L1022 A1036 V1066 R1067 L1069 | L1022-Q1024 PolarHBondContact O-N 3.01Å; L1022-Q1024 VanDerWaalsContact O-N 3.12Å; Q1024-A1036 HydrophobicContact CB-CB 4.09Å; Q1024-A1036 PolarHBondContact O-N 3.19Å; Q1024-V1066 PolarHBondContact OE1-O 3.15Å; Q1024-R1067 VanDerWaalsContact OE1-C 3.26Å; Q1024-L1069 HydrophobicContact CB-CB 3.84Å; Q1024-L1069 HydrophobicContact CB-CD2 4.34Å | ||
| 1025 | M | 85.8 | Confident | 66 | Low | 25 Ų | 25 | 56.5 Ų | 56.5 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.2 | 178.2 | -177.8 | 179.3 | 55.1 | 0 | 0 | 109.6 | S973 A975 I982 Y984 L990 P1023 V1033 A1034 | S973-M1025 VanDerWaalsContact O-CE 3.31Å; S973-M1025 WeakPolarHBondContact O-CE 3.34Å; A975-M1025 HydrophobicContact CB-CE 3.35Å; A975-M1025 HydrophobicContact CB-SD 4.26Å; A975-M1025 VanDerWaalsContact N-CE 3.34Å; I982-M1025 HydrophobicContact CB-CE 4.47Å; I982-M1025 HydrophobicContact CB-SD 4.49Å; I982-M1025 HydrophobicContact CG2-CE 4.18Å; I982-M1025 HydrophobicContact CG2-SD 3.69Å; Y984-M1025 HydrophobicContact CD1-CB 4.26Å; L990-M1025 HydrophobicContact CD1-SD 4.48Å; P1023-M1025 PolarHBondContact O-N 3.1Å; P1023-M1025 VanDerWaalsContact O-N 3.14Å; M1025-V1033 HydrophobicContact CG-CG1 3.33Å; M1025-V1033 HydrophobicContact SD-CG1 3.6Å; M1025-V1033 HydrophobicContact SD-CG2 4.5Å; M1025-A1034 WeakPolarHBondContact CA-O 3.19Å |
| 1026 | V | 84.8 | Confident | 67.8 | Low | 17 Ų | 17 | 55.6 Ų | 55.6 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 129.4 | 177.1 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | A1034 L1069 R1071 | V1026-A1034 PolarHBondContact N-O 3.42Å; V1026-A1034 PolarHBondContact O-N 2.89Å; V1026-L1069 HydrophobicContact CB-CD2 4.31Å; V1026-L1069 HydrophobicContact CB-CG 4.46Å; V1026-L1069 HydrophobicContact CG2-CB 4.22Å; V1026-L1069 HydrophobicContact CG2-CD2 3.98Å; V1026-L1069 HydrophobicContact CG2-CG 3.83Å; V1026-L1069 WeakPolarHBondContact CG2-O 3.29Å; V1026-R1071 HydrophobicContact CG1-CB 3.61Å |
| 1027 | L | 85.5 | Confident | 69.7 | Low | 31 Ų | 31 | 48.4 Ų | 48.4 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117.9 | 172 | -170.4 | 75.6 | 0 | 0 | 0 | 110.2 | A975 L976 I982 K1029 V1032 V1033 R1071 | A975-L1027 HydrophobicContact CB-CB 4.32Å; L976-L1027 WeakPolarHBondContact O-CD2 3.35Å; I982-L1027 HydrophobicContact CD1-CD1 3.98Å; L1027-K1029 WeakPolarHBondContact CD1-O 3.35Å; L1027-K1029 VanDerWaalsContact CG-O 3.28Å; L1027-K1029 WeakPolarHBondContact CG-O 3.39Å; L1027-V1032 WeakPolarHBondContact CD1-O 3.27Å; L1027-V1033 HydrophobicContact CD1-CG2 3.52Å; L1027-R1071 WeakPolarHBondContact O-CD 2.96Å |
| 1028 | L | 77.3 | Confident | 71.1 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -49.3 | 178.5 | -80.3 | 179.3 | 0 | 0 | 0 | 112.5 | V1032 F1043 R1071 S1076 V1077 F1090 | L1028-V1032 HydrophobicContact CB-CG1 4.43Å; L1028-V1032 HydrophobicContact CD1-CG1 4.33Å; L1028-V1032 PolarHBondContact N-O 2.83Å; L1028-F1043 HydrophobicContact CD1-CD1 4.04Å; L1028-F1043 HydrophobicContact CD1-CE1 3.61Å; L1028-R1071 HydrophobicContact CD2-CG 3.99Å; L1028-R1071 PolarHBondContact O-NE 2.98Å; L1028-R1071 PolarHBondContact O-NH1 3.43Å; L1028-R1071 PolarHBondContact O-NH2 2.9Å; L1028-S1076 WeakPolarHBondContact CD2-O 2.96Å; L1028-V1077 HydrophobicContact CD1-CG2 3.73Å; L1028-V1077 HydrophobicContact CD2-CG2 3.53Å; L1028-V1077 HydrophobicContact CG-CG2 3.72Å; L1028-F1090 HydrophobicContact CD1-CB 3.94Å; L1028-F1090 HydrophobicContact CD1-CD2 4.03Å; L1028-F1090 HydrophobicContact CD1-CG 4.27Å |
| 1029 | K | 72.8 | Confident | 72.5 | Confident | 91 Ų | 91 | 54.8 Ų | 54.8 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 169.6 | 178.6 | -67 | -174 | 176.9 | 174.8 | 0 | 107.9 | L1027 N1031 V1032 D1075 | L1027-K1029 WeakPolarHBondContact CD1-O 3.35Å; L1027-K1029 VanDerWaalsContact CG-O 3.28Å; L1027-K1029 WeakPolarHBondContact CG-O 3.39Å; K1029-N1031 PolarHBondContact O-N 3.13Å; K1029-V1032 HydrophobicContact CB-CB 4.35Å; K1029-V1032 HydrophobicContact CB-CG2 4.49Å; K1029-V1032 PolarHBondContact O-N 2.76Å; K1029-V1032 VanDerWaalsContact O-N 3.11Å; K1029-D1075 WeakPolarHBondContact CE-OD1 3.45Å; K1029-D1075 IonicContact NZ-OD1 2.67Å; K1029-D1075 PolarHBondContact NZ-OD1 3.04Å |
| 1030 | D | 71.8 | Confident | 74.4 | Confident | 108 Ų | 108 | 50.2 Ų | 50.2 | 58% | 0.578 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -28 | -178.6 | -69 | -19.1 | 0 | 0 | 0 | 113.9 | S977 | S977-D1030 WeakPolarHBondContact CB-O 3.33Å; S977-D1030 PolarHBondContact OG-O 2.96Å |
| 1031 | N | 77.2 | Confident | 76.4 | Confident | 57 Ų | 57 | 40.6 Ų | 40.6 | 31% | 0.305 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -5 | -175.6 | -51.9 | -35.3 | 0 | 0 | 0 | 114 | K1029 D1045 V1046 L1047 | K1029-N1031 PolarHBondContact O-N 3.13Å; N1031-D1045 CarbonylContact O-C 3.55Å; N1031-D1045 WeakPolarHBondContact O-CA 3.4Å; N1031-V1046 WeakPolarHBondContact O-CB 3.41Å; N1031-V1046 PolarHBondContact O-N 2.97Å; N1031-L1047 HydrophobicContact CB-CB 4.41Å; N1031-L1047 HydrophobicContact CB-CD1 4.03Å; N1031-L1047 HydrophobicContact CB-CG 3.8Å; N1031-L1047 WeakPolarHBondContact ND2-CD1 3.4Å; N1031-L1047 WeakPolarHBondContact OD1-CD1 3.48Å; N1031-L1047 VanDerWaalsContact OD1-CG 3.3Å; N1031-L1047 WeakPolarHBondContact OD1-CG 2.92Å |
| 1032 | V | 83.2 | Confident | 77.8 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.9 | -171.5 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | L1027 L1028 K1029 F1043 W1044 L1052 F1090 | L1027-V1032 WeakPolarHBondContact CD1-O 3.27Å; L1028-V1032 HydrophobicContact CB-CG1 4.43Å; L1028-V1032 HydrophobicContact CD1-CG1 4.33Å; L1028-V1032 PolarHBondContact N-O 2.83Å; K1029-V1032 HydrophobicContact CB-CB 4.35Å; K1029-V1032 HydrophobicContact CB-CG2 4.49Å; K1029-V1032 PolarHBondContact O-N 2.76Å; K1029-V1032 VanDerWaalsContact O-N 3.11Å; V1032-F1043 HydrophobicContact CG1-CD1 4.44Å; V1032-W1044 CarbonylContact C-O 3.41Å; V1032-W1044 WeakPolarHBondContact CA-O 3.3Å; V1032-L1052 HydrophobicContact CG1-CD1 4.37Å; V1032-L1052 HydrophobicContact CG2-CD1 4.25Å; V1032-F1090 HydrophobicContact CB-CE2 4.31Å; V1032-F1090 HydrophobicContact CG1-CD2 3.72Å; V1032-F1090 HydrophobicContact CG1-CE2 3.33Å; V1032-F1090 HydrophobicContact CG1-CZ 4.1Å; V1032-F1090 HydrophobicContact CG2-CE2 4.09Å; V1032-F1090 HydrophobicContact CG2-CZ 4.01Å |
| 1033 | V | 85.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.3 | 177.7 | 173 | 0 | 0 | 0 | 0 | 110.1 | I982 L990 M1025 L1027 I1035 F1043 W1044 V1046 | I982-V1033 HydrophobicContact CD1-CG2 3.68Å; L990-V1033 HydrophobicContact CD1-CG1 4.47Å; M1025-V1033 HydrophobicContact CG-CG1 3.33Å; M1025-V1033 HydrophobicContact SD-CG1 3.6Å; M1025-V1033 HydrophobicContact SD-CG2 4.5Å; L1027-V1033 HydrophobicContact CD1-CG2 3.52Å; V1033-I1035 HydrophobicContact CG1-CD1 4.28Å; V1033-I1035 HydrophobicContact CG1-CG1 3.71Å; V1033-F1043 CarbonylContact O-C 3.58Å; V1033-F1043 WeakPolarHBondContact O-CA 3.47Å; V1033-W1044 PolarHBondContact N-O 3.2Å; V1033-W1044 PolarHBondContact O-N 2.77Å; V1033-V1046 HydrophobicContact CB-CG2 3.86Å; V1033-V1046 HydrophobicContact CG2-CG2 3.37Å |
| 1034 | A | 85.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | M1025 V1026 I1041 Q1042 F1043 L1069 V1077 | M1025-A1034 WeakPolarHBondContact CA-O 3.19Å; V1026-A1034 PolarHBondContact N-O 3.42Å; V1026-A1034 PolarHBondContact O-N 2.89Å; A1034-I1041 HydrophobicContact CB-CG2 4.02Å; A1034-Q1042 CarbonylContact C-O 3.48Å; A1034-Q1042 WeakPolarHBondContact CA-O 3.25Å; A1034-F1043 HydrophobicContact CB-CD1 3.91Å; A1034-F1043 HydrophobicContact CB-CE1 3.73Å; A1034-L1069 HydrophobicContact CB-CD2 4.45Å; A1034-V1077 HydrophobicContact CB-CG1 4.49Å; A1034-V1077 HydrophobicContact CB-CG2 3.7Å |
| 1035 | I | 85.6 | Confident | 80.1 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.6 | -177.8 | -53.1 | -178.2 | 0 | 0 | 0 | 108.7 | Y984 L990 V1033 S1037 I1041 Q1042 W1044 | Y984-I1035 HydrophobicContact CD1-CG2 3.89Å; Y984-I1035 HydrophobicContact CD2-CD1 4.1Å; Y984-I1035 HydrophobicContact CD2-CG2 4.26Å; Y984-I1035 HydrophobicContact CE1-CG2 3.31Å; Y984-I1035 HydrophobicContact CE2-CD1 4.19Å; Y984-I1035 HydrophobicContact CE2-CG2 3.72Å; Y984-I1035 HydrophobicContact CG-CG2 4.35Å; Y984-I1035 WeakPolarHBondContact OH-CG2 3.35Å; L990-I1035 HydrophobicContact CD1-CD1 3.51Å; V1033-I1035 HydrophobicContact CG1-CD1 4.28Å; V1033-I1035 HydrophobicContact CG1-CG1 3.71Å; I1035-S1037 PolarHBondContact O-N 2.86Å; I1035-I1041 WeakPolarHBondContact O-CA 3.31Å; I1035-Q1042 PolarHBondContact N-O 3.27Å; I1035-Q1042 PolarHBondContact O-N 2.86Å; I1035-W1044 VanDerWaalsContact CD1-CD1 3.47Å; I1035-W1044 HydrophobicContact CD1-CG 4.12Å |
| 1036 | A | 80.5 | Confident | 79.6 | Confident | 20 Ų | 20 | 33.9 Ų | 33.9 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 124.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q1024 V1066 | Q1024-A1036 HydrophobicContact CB-CB 4.09Å; Q1024-A1036 PolarHBondContact O-N 3.19Å; A1036-V1066 HydrophobicContact CB-CB 4.07Å; A1036-V1066 HydrophobicContact CB-CG1 4.28Å |
| 1037 | S | 74.6 | Confident | 78.9 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 162.3 | 175.4 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | I1035 R1039 G1040 Q1042 E1054 | I1035-S1037 PolarHBondContact O-N 2.86Å; S1037-R1039 PolarHBondContact O-N 3.05Å; S1037-R1039 VanDerWaalsContact O-N 3.13Å; S1037-G1040 CarbonylContact C-O 3.6Å; S1037-G1040 WeakPolarHBondContact CA-O 2.86Å; S1037-G1040 PolarHBondContact N-O 2.88Å; S1037-G1040 PolarHBondContact O-N 2.77Å; S1037-G1040 VanDerWaalsContact O-N 3.15Å; S1037-Q1042 PolarHBondContact OG-NE2 2.8Å; S1037-E1054 WeakPolarHBondContact CB-OE1 3.3Å; S1037-E1054 PolarHBondContact OG-OE1 2.91Å |
| 1038 | R | 69.8 | Low | 78.2 | Confident | 81 Ų | 81 | 38.7 Ų | 38.7 | 31% | 0.306 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.6 | 177 | -67 | -176.7 | 179.9 | -166.1 | -5.5 | 113.9 | A1013 | A1013-R1038 PolarHBondContact O-NH2 2.93Š|
| 1039 | R | 71.6 | Confident | 78 | Confident | 171 Ų | 171 | 43.2 Ų | 43.2 | 65% | 0.645 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -5.8 | -177.5 | -67.1 | -178.7 | 174.8 | 154.3 | -2 | 113.5 | S1037 S1056 I1057 | S1037-R1039 PolarHBondContact O-N 3.05Å; S1037-R1039 VanDerWaalsContact O-N 3.13Å; R1039-S1056 CarbonylContact O-C 3.5Å; R1039-S1056 WeakPolarHBondContact O-CA 3.25Å; R1039-I1057 PolarHBondContact O-N 2.69Å |
| 1040 | G | 77.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.6 | -130.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112 | S1037 V1055 V1066 | S1037-G1040 CarbonylContact C-O 3.6Å; S1037-G1040 WeakPolarHBondContact CA-O 2.86Å; S1037-G1040 PolarHBondContact N-O 2.88Å; S1037-G1040 PolarHBondContact O-N 2.77Å; S1037-G1040 VanDerWaalsContact O-N 3.15Å; G1040-V1055 CarbonylContact C-O 3.58Å; G1040-V1055 WeakPolarHBondContact CA-O 3.4Å; G1040-V1066 WeakPolarHBondContact O-CG2 3.04Å |
| 1041 | I | 84.4 | Confident | 78 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.9 | -174.9 | -57.8 | 173.7 | 0 | 0 | 0 | 110.6 | A1034 I1035 F1043 V1055 I1057 V1066 L1069 V1077 C1079 V1088 | A1034-I1041 HydrophobicContact CB-CG2 4.02Å; I1035-I1041 WeakPolarHBondContact O-CA 3.31Å; I1041-F1043 HydrophobicContact CG2-CE1 4.43Å; I1041-F1043 HydrophobicContact CG2-CE2 4.18Å; I1041-F1043 HydrophobicContact CG2-CZ 4.09Å; I1041-V1055 PolarHBondContact N-O 3.41Å; I1041-V1055 PolarHBondContact O-N 2.7Å; I1041-I1057 HydrophobicContact CD1-CD1 4.11Å; I1041-I1057 HydrophobicContact CG1-CD1 4.04Å; I1041-V1066 HydrophobicContact CG1-CG1 4.34Å; I1041-L1069 HydrophobicContact CD1-CD1 3.63Å; I1041-L1069 HydrophobicContact CG1-CD1 4.01Å; I1041-V1077 HydrophobicContact CD1-CG1 4.48Å; I1041-C1079 HydrophobicContact CD1-CB 4.29Å; I1041-V1088 HydrophobicContact CD1-CB 3.98Å; I1041-V1088 HydrophobicContact CD1-CG2 3.63Å |
| 1042 | Q | 81.8 | Confident | 77.7 | Confident | 35 Ų | 35 | 38.4 Ų | 38.4 | 16% | 0.164 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.2 | 171 | -72.3 | 175.1 | 5.2 | 0 | 0 | 111 | A1034 I1035 S1037 W1044 M1051 R1053 E1054 | A1034-Q1042 CarbonylContact C-O 3.48Å; A1034-Q1042 WeakPolarHBondContact CA-O 3.25Å; I1035-Q1042 PolarHBondContact N-O 3.27Å; I1035-Q1042 PolarHBondContact O-N 2.86Å; S1037-Q1042 PolarHBondContact OG-NE2 2.8Å; Q1042-W1044 VanDerWaalsContact OE1-NE1 3.14Å; Q1042-M1051 VanDerWaalsContact CD-CE 3.42Å; Q1042-M1051 HydrophobicContact CG-CE 4.08Å; Q1042-M1051 HydrophobicContact CG-SD 4.21Å; Q1042-R1053 WeakPolarHBondContact CA-O 3.27Å; Q1042-E1054 HydrophobicContact CG-CB 4.02Å; Q1042-E1054 HydrophobicContact CG-CG 3.8Å; Q1042-E1054 PolarHBondContact NE2-OE1 3.02Å |
| 1043 | F | 85.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 125.5 | 169.3 | -65.6 | -77.4 | 0 | 0 | 0 | 109.6 | L1028 V1032 V1033 A1034 I1041 M1051 L1052 R1053 V1055 V1077 V1088 F1090 P1091 | L1028-F1043 HydrophobicContact CD1-CD1 4.04Å; L1028-F1043 HydrophobicContact CD1-CE1 3.61Å; V1032-F1043 HydrophobicContact CG1-CD1 4.44Å; V1033-F1043 CarbonylContact O-C 3.58Å; V1033-F1043 WeakPolarHBondContact O-CA 3.47Å; A1034-F1043 HydrophobicContact CB-CD1 3.91Å; A1034-F1043 HydrophobicContact CB-CE1 3.73Å; I1041-F1043 HydrophobicContact CG2-CE1 4.43Å; I1041-F1043 HydrophobicContact CG2-CE2 4.18Å; I1041-F1043 HydrophobicContact CG2-CZ 4.09Å; F1043-M1051 CarbonylContact O-C 3.57Å; F1043-L1052 HydrophobicContact CB-CB 4.28Å; F1043-L1052 WeakPolarHBondContact O-CB 3.2Å; F1043-L1052 PolarHBondContact O-N 2.85Å; F1043-R1053 PolarHBondContact N-O 3.18Å; F1043-R1053 PolarHBondContact O-N 3.36Å; F1043-V1055 HydrophobicContact CD2-CG2 4.24Å; F1043-V1055 HydrophobicContact CE2-CG2 3.89Å; F1043-V1077 HydrophobicContact CE1-CG2 3.91Å; F1043-V1077 HydrophobicContact CZ-CG2 4.34Å; F1043-V1088 HydrophobicContact CE2-CG1 3.76Å; F1043-V1088 HydrophobicContact CZ-CG1 3.85Å; F1043-F1090 HydrophobicContact CB-CE2 4.43Å; F1043-F1090 AromaticContact CD1-CD2 3.82Å; F1043-F1090 HydrophobicContact CD1-CD2 3.82Å; F1043-F1090 HydrophobicContact CD1-CE2 4.4Å; F1043-F1090 HydrophobicContact CE1-CD2 4.22Å; F1043-F1090 HydrophobicContact CG-CD2 4.2Å; F1043-P1091 HydrophobicContact CD2-CG 4.41Å |
| 1044 | W | 80.2 | Confident | 77 | Confident | 25 Ų | 25 | 43 Ų | 43 | 10% | 0.095 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.7 | 179.1 | -73 | 82.1 | 0 | 0 | 0 | 109.3 | I1004 V1032 V1033 I1035 Q1042 M1051 | I1004-W1044 HydrophobicContact CD1-CE3 4.38Å; I1004-W1044 HydrophobicContact CD1-CZ3 4.27Å; I1004-W1044 HydrophobicContact CG2-CH2 3.82Å; I1004-W1044 HydrophobicContact CG2-CZ3 3.68Å; V1032-W1044 CarbonylContact C-O 3.41Å; V1032-W1044 WeakPolarHBondContact CA-O 3.3Å; V1033-W1044 PolarHBondContact N-O 3.2Å; V1033-W1044 PolarHBondContact O-N 2.77Å; I1035-W1044 VanDerWaalsContact CD1-CD1 3.47Å; I1035-W1044 HydrophobicContact CD1-CG 4.12Å; Q1042-W1044 VanDerWaalsContact OE1-NE1 3.14Å; W1044-M1051 HydrophobicContact CD2-CB 4.08Å; W1044-M1051 HydrophobicContact CE3-CB 4.12Å; W1044-M1051 HydrophobicContact CH2-CB 4.11Å; W1044-M1051 HydrophobicContact CH2-CE 4.1Å; W1044-M1051 HydrophobicContact CZ2-CB 4.06Å; W1044-M1051 HydrophobicContact CZ2-CE 3.39Å; W1044-M1051 HydrophobicContact CZ2-CG 4.41Å; W1044-M1051 HydrophobicContact CZ3-CB 4.13Å |
| 1045 | D | 81.8 | Confident | 76.6 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 19% | 0.193 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 111.9 | 160.2 | 174.6 | 15.7 | 0 | 0 | 0 | 107.7 | N1031 L1047 S1048 R1049 M1050 L1052 | N1031-D1045 CarbonylContact O-C 3.55Å; N1031-D1045 WeakPolarHBondContact O-CA 3.4Å; D1045-L1047 VanDerWaalsContact C-N 3.34Å; D1045-L1047 PolarHBondContact OD1-N 2.8Å; D1045-L1047 VanDerWaalsContact OD1-N 3.08Å; D1045-S1048 VanDerWaalsContact CB-OG 3.24Å; D1045-S1048 WeakPolarHBondContact CB-OG 3.05Å; D1045-S1048 WeakPolarHBondContact OD2-CB 2.9Å; D1045-S1048 PolarHBondContact OD2-OG 3.08Å; D1045-R1049 WeakPolarHBondContact O-CA 3.17Å; D1045-R1049 PolarHBondContact O-N 3.03Å; D1045-M1050 PolarHBondContact N-O 3.21Å; D1045-M1050 PolarHBondContact O-N 3.03Å; D1045-M1050 VanDerWaalsContact O-N 3.11Å; D1045-L1052 HydrophobicContact CB-CD1 3.88Å; D1045-L1052 HydrophobicContact CB-CD2 3.74Å; D1045-L1052 HydrophobicContact CB-CG 3.74Å |
| 1046 | V | 75.6 | Confident | 76.3 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -33.6 | -174.3 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | L980 I982 L992 N1031 V1033 | L980-V1046 HydrophobicContact CD1-CG1 4.12Å; I982-V1046 HydrophobicContact CD1-CB 4.41Å; I982-V1046 HydrophobicContact CD1-CG1 3.97Å; I982-V1046 HydrophobicContact CD1-CG2 4.02Å; I982-V1046 HydrophobicContact CG1-CG1 4.19Å; L992-V1046 HydrophobicContact CD1-CG1 3.62Å; L992-V1046 HydrophobicContact CD2-CG1 3.18Å; L992-V1046 HydrophobicContact CG-CG1 4.04Å; N1031-V1046 WeakPolarHBondContact O-CB 3.41Å; N1031-V1046 PolarHBondContact O-N 2.97Å; V1033-V1046 HydrophobicContact CB-CG2 3.86Å; V1033-V1046 HydrophobicContact CG2-CG2 3.37Å |
| 1047 | L | 70.1 | Confident | 76.2 | Confident | 84 Ų | 84 | 47 Ų | 47 | 44% | 0.44 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -45.4 | 177.6 | -71.3 | -170.7 | 0 | 0 | 0 | 111.7 | L980 N1031 D1045 R1049 | L980-L1047 HydrophobicContact CD1-CD2 3.46Å; L980-L1047 VanDerWaalsContact CD1-CD2 3.46Å; N1031-L1047 HydrophobicContact CB-CB 4.41Å; N1031-L1047 HydrophobicContact CB-CD1 4.03Å; N1031-L1047 HydrophobicContact CB-CG 3.8Å; N1031-L1047 WeakPolarHBondContact ND2-CD1 3.4Å; N1031-L1047 WeakPolarHBondContact OD1-CD1 3.48Å; N1031-L1047 VanDerWaalsContact OD1-CG 3.3Å; N1031-L1047 WeakPolarHBondContact OD1-CG 2.92Å; D1045-L1047 VanDerWaalsContact C-N 3.34Å; D1045-L1047 PolarHBondContact OD1-N 2.8Å; D1045-L1047 VanDerWaalsContact OD1-N 3.08Å; L1047-R1049 PolarHBondContact O-N 2.87Å |
| 1048 | S | 71.1 | Confident | 76.2 | Confident | 64 Ų | 64 | 54.7 Ų | 54.7 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -8.1 | 177.2 | 64.8 | 0 | 0 | 0 | 0 | 113.4 | D1045 M1050 | D1045-S1048 VanDerWaalsContact CB-OG 3.24Å; D1045-S1048 WeakPolarHBondContact CB-OG 3.05Å; D1045-S1048 WeakPolarHBondContact OD2-CB 2.9Å; D1045-S1048 PolarHBondContact OD2-OG 3.08Å; S1048-M1050 PolarHBondContact O-N 2.61Å; S1048-M1050 WeakPolarHBondContact OG-CB 3.32Å |
| 1049 | R | 72 | Confident | 76.3 | Confident | 97 Ų | 97 | 52.4 Ų | 52.4 | 37% | 0.366 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 31 | -176 | -51.7 | 174.3 | -173.7 | -164.9 | -3.5 | 111.8 | L1001 S1002 I1004 D1045 L1047 | L1001-R1049 PolarHBondContact O-NH2 3.2Å; S1002-R1049 WeakPolarHBondContact OG-CD 3.34Å; S1002-R1049 PolarHBondContact OG-NE 2.98Å; S1002-R1049 PolarHBondContact OG-NH1 3.13Å; I1004-R1049 HydrophobicContact CD1-CB 3.86Å; I1004-R1049 HydrophobicContact CD1-CG 4.31Å; D1045-R1049 WeakPolarHBondContact O-CA 3.17Å; D1045-R1049 PolarHBondContact O-N 3.03Å; L1047-R1049 PolarHBondContact O-N 2.87Å |
| 1050 | M | 71.7 | Confident | 76.3 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.9 | -174.6 | -172.1 | 175.8 | 174.4 | 0 | 0 | 109.7 | V707 D1045 S1048 L1052 | V707-M1050 HydrophobicContact CB-CE 4.19Å; V707-M1050 VanDerWaalsContact O-CE 3.28Å; V707-M1050 WeakPolarHBondContact O-CE 3.49Å; D1045-M1050 PolarHBondContact N-O 3.21Å; D1045-M1050 PolarHBondContact O-N 3.03Å; D1045-M1050 VanDerWaalsContact O-N 3.11Å; S1048-M1050 PolarHBondContact O-N 2.61Å; S1048-M1050 WeakPolarHBondContact OG-CB 3.32Å; M1050-L1052 PolarHBondContact O-N 3.44Å; M1050-L1052 VanDerWaalsContact O-N 3.16Å |
| 1051 | M | 72.9 | Confident | 76 | Confident | 51 Ų | 51 | 47.2 Ų | 47.2 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 112.1 | 162.5 | -174.3 | -171.2 | -64.7 | 0 | 0 | 107.6 | Q1042 F1043 W1044 E1054 | Q1042-M1051 VanDerWaalsContact CD-CE 3.42Å; Q1042-M1051 HydrophobicContact CG-CE 4.08Å; Q1042-M1051 HydrophobicContact CG-SD 4.21Å; F1043-M1051 CarbonylContact O-C 3.57Å; W1044-M1051 HydrophobicContact CD2-CB 4.08Å; W1044-M1051 HydrophobicContact CE3-CB 4.12Å; W1044-M1051 HydrophobicContact CH2-CB 4.11Å; W1044-M1051 HydrophobicContact CH2-CE 4.1Å; W1044-M1051 HydrophobicContact CZ2-CB 4.06Å; W1044-M1051 HydrophobicContact CZ2-CE 3.39Å; W1044-M1051 HydrophobicContact CZ2-CG 4.41Å; W1044-M1051 HydrophobicContact CZ3-CB 4.13Å; M1051-E1054 HydrophobicContact SD-CB 4.24Å |
| 1052 | L | 71.8 | Confident | 75 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | -47.1 | 177.8 | -66.6 | 174.9 | 0 | 0 | 0 | 110.5 | I713 V1032 F1043 D1045 M1050 F1090 | I713-L1052 WeakPolarHBondContact CD1-O 3.4Å; V1032-L1052 HydrophobicContact CG1-CD1 4.37Å; V1032-L1052 HydrophobicContact CG2-CD1 4.25Å; F1043-L1052 HydrophobicContact CB-CB 4.28Å; F1043-L1052 WeakPolarHBondContact O-CB 3.2Å; F1043-L1052 PolarHBondContact O-N 2.85Å; D1045-L1052 HydrophobicContact CB-CD1 3.88Å; D1045-L1052 HydrophobicContact CB-CD2 3.74Å; D1045-L1052 HydrophobicContact CB-CG 3.74Å; M1050-L1052 PolarHBondContact O-N 3.44Å; M1050-L1052 VanDerWaalsContact O-N 3.16Å; L1052-F1090 HydrophobicContact CD1-CE2 3.62Å; L1052-F1090 HydrophobicContact CD1-CZ 3.73Å |
| 1053 | R | 74.6 | Confident | 74.2 | Confident | 41 Ų | 41 | 58.4 Ų | 58.4 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 145.6 | -176.7 | -170.9 | 175 | -176.8 | 160.3 | 9.7 | 111.2 | I713 I714 D715 Q1042 F1043 V1055 P1091 | I713-R1053 HydrophobicContact CD1-CB 4.06Å; I713-R1053 HydrophobicContact CD1-CG 4.37Å; I714-R1053 PolarHBondContact O-NH1 2.88Å; D715-R1053 IonicContact OD1-CZ 2.95Å; D715-R1053 IonicContact OD1-NH1 2.77Å; D715-R1053 IonicContact OD1-NH2 3.93Å; D715-R1053 PolarHBondContact OD1-NH2 3.36Å; Q1042-R1053 WeakPolarHBondContact CA-O 3.27Å; F1043-R1053 PolarHBondContact N-O 3.18Å; F1043-R1053 PolarHBondContact O-N 3.36Å; R1053-V1055 HydrophobicContact CG-CG2 4.13Å; R1053-P1091 HydrophobicContact CB-CG 4.09Å |
| 1054 | E | 78.2 | Confident | 73.5 | Confident | 69 Ų | 69 | 60.4 Ų | 60.4 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.3 | 159.9 | -175.3 | 165.1 | -138.4 | 0 | 0 | 108.3 | S1037 Q1042 M1051 | S1037-E1054 WeakPolarHBondContact CB-OE1 3.3Å; S1037-E1054 PolarHBondContact OG-OE1 2.91Å; Q1042-E1054 HydrophobicContact CG-CB 4.02Å; Q1042-E1054 HydrophobicContact CG-CG 3.8Å; Q1042-E1054 PolarHBondContact NE2-OE1 3.02Å; M1051-E1054 HydrophobicContact SD-CB 4.24Å |
| 1055 | V | 78 | Confident | 73.2 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 110.1 | 173.4 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | G1040 I1041 F1043 R1053 V1088 | G1040-V1055 CarbonylContact C-O 3.58Å; G1040-V1055 WeakPolarHBondContact CA-O 3.4Å; I1041-V1055 PolarHBondContact N-O 3.41Å; I1041-V1055 PolarHBondContact O-N 2.7Å; F1043-V1055 HydrophobicContact CD2-CG2 4.24Å; F1043-V1055 HydrophobicContact CE2-CG2 3.89Å; R1053-V1055 HydrophobicContact CG-CG2 4.13Å; V1055-V1088 HydrophobicContact CB-CG1 4.06Å; V1055-V1088 HydrophobicContact CG1-CG1 3.91Å; V1055-V1088 HydrophobicContact CG2-CG1 3.98Å |
| 1056 | S | 79.8 | Confident | 73.2 | Confident | 89 Ų | 89 | 59.8 Ų | 59.8 | 62% | 0.622 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.2 | 172.1 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | R1039 | R1039-S1056 CarbonylContact O-C 3.5Å; R1039-S1056 WeakPolarHBondContact O-CA 3.25Å |
| 1057 | I | 77.9 | Confident | 73.4 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | trans | -105.3 | 130.5 | 175.4 | -59 | 172.9 | 0 | 0 | 0 | 107.3 | R1039 I1041 G1059 A1060 C1079 V1081 H1086 V1088 | R1039-I1057 PolarHBondContact O-N 2.69Å; I1041-I1057 HydrophobicContact CD1-CD1 4.11Å; I1041-I1057 HydrophobicContact CG1-CD1 4.04Å; I1057-G1059 PolarHBondContact O-N 3.29Å; I1057-A1060 HydrophobicContact CB-CB 4.14Å; I1057-A1060 VanDerWaalsContact O-CB 3.3Å; I1057-A1060 WeakPolarHBondContact O-CB 3.43Å; I1057-A1060 PolarHBondContact O-N 3.3Å; I1057-A1060 VanDerWaalsContact O-N 3.13Å; I1057-C1079 WeakPolarHBondContact CD1-SG 3.33Å; I1057-V1081 HydrophobicContact CB-CG2 4.38Å; I1057-V1081 HydrophobicContact CD1-CG2 4.18Å; I1057-V1081 HydrophobicContact CG2-CB 4.21Å; I1057-V1081 HydrophobicContact CG2-CG1 4.45Å; I1057-V1081 HydrophobicContact CG2-CG2 3.89Å; I1057-H1086 HydrophobicContact CD1-CB 4.47Å; I1057-V1088 HydrophobicContact CD1-CG2 4Å; I1057-V1088 HydrophobicContact CG1-CG2 4.47Å | ||
| 1058 | E | 74.1 | Confident | 73.9 | Confident | 181 Ų | 181 | 59.5 Ų | 59.5 | 85% | 0.846 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 134.3 | 176.2 | -65.7 | -177.7 | 168.5 | 0 | 0 | 109.9 | A1060 | E1058-A1060 VanDerWaalsContact C-N 3.32Å; E1058-A1060 PolarHBondContact O-N 3.2Å |
| 1059 | G | 71.3 | Confident | 74.7 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 34% | 0.34 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -23.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1057 S1061 | I1057-G1059 PolarHBondContact O-N 3.29Å; G1059-S1061 PolarHBondContact O-N 3.15Å; G1059-S1061 VanDerWaalsContact O-N 3.09Å |
| 1060 | A | 72.8 | Confident | 75.4 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | trans | -68.1 | 114 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1057 E1058 V1066 V1081 | I1057-A1060 HydrophobicContact CB-CB 4.14Å; I1057-A1060 VanDerWaalsContact O-CB 3.3Å; I1057-A1060 WeakPolarHBondContact O-CB 3.43Å; I1057-A1060 PolarHBondContact O-N 3.3Å; I1057-A1060 VanDerWaalsContact O-N 3.13Å; E1058-A1060 VanDerWaalsContact C-N 3.32Å; E1058-A1060 PolarHBondContact O-N 3.2Å; A1060-V1066 HydrophobicContact CB-CG2 4.36Å; A1060-V1081 HydrophobicContact CB-CG1 3.93Å; A1060-V1081 HydrophobicContact CB-CG2 4.31Å | ||
| 1061 | S | 70 | Confident | 76 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -142.3 | 176 | -177 | 74.2 | 0 | 0 | 0 | 0 | 110.6 | G1059 F1063 C1064 | G1059-S1061 PolarHBondContact O-N 3.15Å; G1059-S1061 VanDerWaalsContact O-N 3.09Å; S1061-F1063 PolarHBondContact O-N 3.13Å; S1061-F1063 PolarHBondContact OG-N 2.73Å; S1061-C1064 PolarHBondContact N-O 2.83Å; S1061-C1064 VanDerWaalsContact N-O 3.09Å; S1061-C1064 CarbonylContact O-C 3.5Å; S1061-C1064 PolarHBondContact O-N 3.44Å; S1061-C1064 VanDerWaalsContact O-O 3.13Å; S1061-C1064 PolarHBondContact OG-N 3.1Å; S1061-C1064 VanDerWaalsContact OG-N 3.17Å |
| 1062 | Q | 63.5 | Low | 76.6 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 40% | 0.397 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -58.5 | -31.2 | 172.9 | -165.4 | -179.3 | -5.6 | 0 | 0 | 112.4 | D1015 | D1015-Q1062 WeakPolarHBondContact OD1-CG 3.38Å; D1015-Q1062 PolarHBondContact OD1-NE2 3.2Å; D1015-Q1062 VanDerWaalsContact OD1-NE2 3.12Å |
| 1063 | F | 65 | Low | 76.9 | Confident | 185 Ų | 185 | 55.2 Ų | 55.2 | 81% | 0.811 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -87.1 | -23.3 | 179.9 | -59.8 | -73.6 | 0 | 0 | 0 | 112.8 | S1061 | S1061-F1063 PolarHBondContact O-N 3.13Å; S1061-F1063 PolarHBondContact OG-N 2.73Å |
| 1064 | C | 71.2 | Confident | 76.8 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 28% | 0.284 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -126 | 76.4 | 179 | -60.8 | 0 | 0 | 0 | 0 | 109.3 | S1061 E1082 | S1061-C1064 PolarHBondContact N-O 2.83Å; S1061-C1064 VanDerWaalsContact N-O 3.09Å; S1061-C1064 CarbonylContact O-C 3.5Å; S1061-C1064 PolarHBondContact O-N 3.44Å; S1061-C1064 VanDerWaalsContact O-O 3.13Å; S1061-C1064 PolarHBondContact OG-N 3.1Å; S1061-C1064 VanDerWaalsContact OG-N 3.17Å; C1064-E1082 HydrophobicContact CB-CG 3.93Å |
| 1065 | P | 74.8 | Confident | 76.7 | Confident | 39 Ų | 39 | 60 Ų | 60 | 25% | 0.253 | 31% | 0.309 | S | S | . | . | trans | -70.3 | 161.5 | -177.5 | 29.5 | -35.3 | 0 | 0 | 0 | 111.7 | R1067 | P1065-R1067 PolarHBondContact O-N 2.8Š| ||
| 1066 | V | 80.3 | Confident | 77 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | trans | -66.7 | 117.6 | 171.4 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | Q1024 A1036 G1040 I1041 A1060 L1069 C1079 V1081 | Q1024-V1066 PolarHBondContact OE1-O 3.15Å; A1036-V1066 HydrophobicContact CB-CB 4.07Å; A1036-V1066 HydrophobicContact CB-CG1 4.28Å; G1040-V1066 WeakPolarHBondContact O-CG2 3.04Å; I1041-V1066 HydrophobicContact CG1-CG1 4.34Å; A1060-V1066 HydrophobicContact CB-CG2 4.36Å; V1066-L1069 HydrophobicContact CG1-CD1 4.33Å; V1066-C1079 HydrophobicContact CG1-CB 3.39Å; V1066-V1081 HydrophobicContact CB-CG2 4.5Å; V1066-V1081 HydrophobicContact CG2-CG2 3.95Å | ||
| 1067 | R | 81.4 | Confident | 77.4 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 22% | 0.223 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 158.8 | 179.6 | -60.1 | -175.1 | -64 | 167 | -5.2 | 111.5 | E727 Q1024 P1065 L1069 V1080 E1082 | E727-R1067 IonicContact OE1-CZ 3.44Å; E727-R1067 IonicContact OE1-NH1 3.99Å; E727-R1067 PolarHBondContact OE1-NH1 2.75Å; E727-R1067 IonicContact OE1-NH2 3.28Å; E727-R1067 PolarHBondContact OE1-NH2 3.03Å; Q1024-R1067 VanDerWaalsContact OE1-C 3.26Å; P1065-R1067 PolarHBondContact O-N 2.8Å; R1067-L1069 PolarHBondContact O-N 2.58Å; R1067-V1080 HydrophobicContact CB-CB 4.35Å; R1067-V1080 PolarHBondContact N-O 3.31Å; R1067-V1080 PolarHBondContact O-N 3.4Å; R1067-E1082 PolarHBondContact NH2-O 3.13Å |
| 1068 | C | 79.8 | Confident | 77.9 | Confident | 22 Ų | 22 | 55 Ų | 55 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.6 | 43.8 | 171.8 | -65.7 | 0 | 0 | 0 | 0 | 115.5 | L731 R1070 V1080 | L731-C1068 HydrophobicContact CB-CB 3.73Å; L731-C1068 HydrophobicContact CD2-CB 4.47Å; C1068-R1070 PolarHBondContact O-N 3.49Å; C1068-V1080 HydrophobicContact CB-CG2 4.24Å |
| 1069 | L | 87 | Confident | 78.6 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 119.7 | 175 | -162.4 | 72.9 | 0 | 0 | 0 | 110.8 | Q1024 V1026 A1034 I1041 V1066 R1067 V1077 V1078 C1079 | Q1024-L1069 HydrophobicContact CB-CB 3.84Å; Q1024-L1069 HydrophobicContact CB-CD2 4.34Å; V1026-L1069 HydrophobicContact CB-CD2 4.31Å; V1026-L1069 HydrophobicContact CB-CG 4.46Å; V1026-L1069 HydrophobicContact CG2-CB 4.22Å; V1026-L1069 HydrophobicContact CG2-CD2 3.98Å; V1026-L1069 HydrophobicContact CG2-CG 3.83Å; V1026-L1069 WeakPolarHBondContact CG2-O 3.29Å; A1034-L1069 HydrophobicContact CB-CD2 4.45Å; I1041-L1069 HydrophobicContact CD1-CD1 3.63Å; I1041-L1069 HydrophobicContact CG1-CD1 4.01Å; V1066-L1069 HydrophobicContact CG1-CD1 4.33Å; R1067-L1069 PolarHBondContact O-N 2.58Å; L1069-V1077 HydrophobicContact CD1-CG1 3.33Å; L1069-V1077 HydrophobicContact CG-CG1 3.67Å; L1069-V1078 CarbonylContact C-O 3.57Å; L1069-V1078 WeakPolarHBondContact CA-O 3.4Å; L1069-C1079 HydrophobicContact CD1-CB 3.99Å |
| 1070 | R | 86.6 | Confident | 79.2 | Confident | 112 Ų | 112 | 44.9 Ų | 44.9 | 42% | 0.423 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 146.4 | -178.7 | -66.1 | -64.9 | -179.7 | -102.5 | 6.2 | 111.7 | C1068 V1077 V1078 | C1068-R1070 PolarHBondContact O-N 3.49Å; R1070-V1077 CarbonylContact O-C 3.56Å; R1070-V1077 WeakPolarHBondContact O-CA 3.09Å; R1070-V1077 VanDerWaalsContact O-CG1 3.27Å; R1070-V1077 WeakPolarHBondContact O-CG1 3.42Å; R1070-V1078 PolarHBondContact N-O 3.06Å; R1070-V1078 PolarHBondContact O-N 2.84Å |
| 1071 | R | 86 | Confident | 79.6 | Confident | 101 Ų | 101 | 44.2 Ų | 44.2 | 38% | 0.381 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 138 | 172 | 179.3 | 168.8 | 174 | -175.9 | -6.6 | 109.9 | S733 V1026 L1027 L1028 G1073 | S733-R1071 WeakPolarHBondContact CB-O 3.44Å; V1026-R1071 HydrophobicContact CG1-CB 3.61Å; L1027-R1071 WeakPolarHBondContact O-CD 2.96Å; L1028-R1071 HydrophobicContact CD2-CG 3.99Å; L1028-R1071 PolarHBondContact O-NE 2.98Å; L1028-R1071 PolarHBondContact O-NH1 3.43Å; L1028-R1071 PolarHBondContact O-NH2 2.9Å; R1071-G1073 WeakPolarHBondContact CG-O 3.33Å; R1071-G1073 PolarHBondContact NE-O 2.92Å |
| 1072 | L | 83.7 | Confident | 80 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 103.9 | 170.9 | 178.7 | 75.1 | 0 | 0 | 0 | 108.4 | D736 S1076 V1078 R1087 | D736-L1072 WeakPolarHBondContact O-CD1 3.3Å; L1072-S1076 CarbonylContact C-O 3.58Å; L1072-S1076 PolarHBondContact N-O 3.02Å; L1072-S1076 PolarHBondContact O-N 2.58Å; L1072-S1076 PolarHBondContact O-OG 3.17Å; L1072-V1078 HydrophobicContact CB-CG2 3.58Å; L1072-V1078 HydrophobicContact CD2-CG2 3.53Å; L1072-V1078 HydrophobicContact CG-CG2 4.11Å; L1072-R1087 HydrophobicContact CD2-CG 4.35Å |
| 1073 | G | 79 | Confident | 80.6 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | -160.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | D736 R1071 | D736-G1073 PolarHBondContact O-N 2.74Å; R1071-G1073 WeakPolarHBondContact CG-O 3.33Å; R1071-G1073 PolarHBondContact NE-O 2.92Å |
| 1074 | E | 73 | Confident | 81.5 | Confident | 129 Ų | 129 | 38.3 Ų | 38.3 | 60% | 0.603 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -26.8 | -177.9 | -62.7 | -169.5 | 160.5 | 0 | 0 | 114.2 | ||
| 1075 | D | 76.1 | Confident | 82.2 | Confident | 81 Ų | 81 | 36.3 Ų | 36.3 | 43% | 0.433 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 7.8 | -164.5 | -66.6 | -34.1 | 0 | 0 | 0 | 113.7 | K1029 F1090 | K1029-D1075 WeakPolarHBondContact CE-OD1 3.45Å; K1029-D1075 IonicContact NZ-OD1 2.67Å; K1029-D1075 PolarHBondContact NZ-OD1 3.04Å; D1075-F1090 VanDerWaalsContact O-CB 3.26Å; D1075-F1090 WeakPolarHBondContact O-CB 3.42Å; D1075-F1090 PolarHBondContact O-N 3.12Å |
| 1076 | S | 84.7 | Confident | 82.8 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 152.5 | 179.6 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | L1028 L1072 R1087 | L1028-S1076 WeakPolarHBondContact CD2-O 2.96Å; L1072-S1076 CarbonylContact C-O 3.58Å; L1072-S1076 PolarHBondContact N-O 3.02Å; L1072-S1076 PolarHBondContact O-N 2.58Å; L1072-S1076 PolarHBondContact O-OG 3.17Å; S1076-R1087 PolarHBondContact OG-NE 3.4Å; S1076-R1087 PolarHBondContact OG-NH2 3.14Å |
| 1077 | V | 88.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 147.5 | 172.9 | -171.9 | 0 | 0 | 0 | 0 | 107.9 | L1028 A1034 I1041 F1043 L1069 R1070 R1087 V1088 | L1028-V1077 HydrophobicContact CD1-CG2 3.73Å; L1028-V1077 HydrophobicContact CD2-CG2 3.53Å; L1028-V1077 HydrophobicContact CG-CG2 3.72Å; A1034-V1077 HydrophobicContact CB-CG1 4.49Å; A1034-V1077 HydrophobicContact CB-CG2 3.7Å; I1041-V1077 HydrophobicContact CD1-CG1 4.48Å; F1043-V1077 HydrophobicContact CE1-CG2 3.91Å; F1043-V1077 HydrophobicContact CZ-CG2 4.34Å; L1069-V1077 HydrophobicContact CD1-CG1 3.33Å; L1069-V1077 HydrophobicContact CG-CG1 3.67Å; R1070-V1077 CarbonylContact O-C 3.56Å; R1070-V1077 WeakPolarHBondContact O-CA 3.09Å; R1070-V1077 VanDerWaalsContact O-CG1 3.27Å; R1070-V1077 WeakPolarHBondContact O-CG1 3.42Å; V1077-R1087 CarbonylContact O-C 3.57Å; V1077-R1087 WeakPolarHBondContact O-CA 3.07Å; V1077-V1088 PolarHBondContact N-O 2.91Å; V1077-V1088 PolarHBondContact O-N 2.81Å |
| 1078 | V | 88.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 142.5 | 172 | -171.6 | 0 | 0 | 0 | 0 | 109.2 | L731 L739 L1069 R1070 L1072 I1085 H1086 R1087 | L731-V1078 HydrophobicContact CD2-CB 4.15Å; L731-V1078 HydrophobicContact CD2-CG1 3.66Å; L739-V1078 HydrophobicContact CD2-CB 4.47Å; L739-V1078 HydrophobicContact CD2-CG1 3.77Å; L739-V1078 HydrophobicContact CD2-CG2 4.41Å; L1069-V1078 CarbonylContact C-O 3.57Å; L1069-V1078 WeakPolarHBondContact CA-O 3.4Å; R1070-V1078 PolarHBondContact N-O 3.06Å; R1070-V1078 PolarHBondContact O-N 2.84Å; L1072-V1078 HydrophobicContact CB-CG2 3.58Å; L1072-V1078 HydrophobicContact CD2-CG2 3.53Å; L1072-V1078 HydrophobicContact CG-CG2 4.11Å; V1078-I1085 HydrophobicContact CG1-CG2 3.27Å; V1078-H1086 CarbonylContact C-O 3.54Å; V1078-H1086 VanDerWaalsContact CA-O 3.27Å; V1078-H1086 WeakPolarHBondContact CA-O 3.16Å; V1078-H1086 WeakPolarHBondContact CG1-O 3.14Å; V1078-R1087 HydrophobicContact CG2-CB 4.19Å; V1078-R1087 HydrophobicContact CG2-CG 4.46Å |
| 1079 | C | 87.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 167.7 | 172.6 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | I1041 I1057 V1066 L1069 I1085 H1086 | I1041-C1079 HydrophobicContact CD1-CB 4.29Å; I1057-C1079 WeakPolarHBondContact CD1-SG 3.33Å; V1066-C1079 HydrophobicContact CG1-CB 3.39Å; L1069-C1079 HydrophobicContact CD1-CB 3.99Å; C1079-I1085 CarbonylContact O-C 3.57Å; C1079-I1085 WeakPolarHBondContact O-CA 3.33Å; C1079-H1086 PolarHBondContact N-O 2.86Å; C1079-H1086 PolarHBondContact O-N 2.81Å |
| 1080 | V | 84 | Confident | 82.6 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.4 | 172.2 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | Y728 L731 R1067 C1068 E1082 V1084 I1085 | Y728-V1080 HydrophobicContact CD2-CG1 4.44Å; L731-V1080 HydrophobicContact CD2-CG2 4.41Å; R1067-V1080 HydrophobicContact CB-CB 4.35Å; R1067-V1080 PolarHBondContact N-O 3.31Å; R1067-V1080 PolarHBondContact O-N 3.4Å; C1068-V1080 HydrophobicContact CB-CG2 4.24Å; V1080-E1082 WeakPolarHBondContact CG1-O 3.43Å; V1080-V1084 WeakPolarHBondContact CA-O 3.3Å; V1080-I1085 HydrophobicContact CG2-CG1 4.18Å |
| 1081 | V | 80.7 | Confident | 81.4 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.2 | 170.4 | 177.7 | 0 | 0 | 0 | 0 | 106.3 | I1057 A1060 V1066 D1083 V1084 | I1057-V1081 HydrophobicContact CB-CG2 4.38Å; I1057-V1081 HydrophobicContact CD1-CG2 4.18Å; I1057-V1081 HydrophobicContact CG2-CB 4.21Å; I1057-V1081 HydrophobicContact CG2-CG1 4.45Å; I1057-V1081 HydrophobicContact CG2-CG2 3.89Å; A1060-V1081 HydrophobicContact CB-CG1 3.93Å; A1060-V1081 HydrophobicContact CB-CG2 4.31Å; V1066-V1081 HydrophobicContact CB-CG2 4.5Å; V1066-V1081 HydrophobicContact CG2-CG2 3.95Å; V1081-D1083 PolarHBondContact O-N 3.43Å; V1081-D1083 VanDerWaalsContact O-N 3.12Å; V1081-V1084 PolarHBondContact N-O 2.98Å; V1081-V1084 PolarHBondContact O-N 3.36Å |
| 1082 | E | 78.3 | Confident | 79.9 | Confident | 96 Ų | 96 | 31.6 Ų | 31.6 | 45% | 0.449 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | -117.9 | -167.7 | -59.8 | 177.6 | 170.9 | 0 | 0 | 110 | C1064 R1067 V1080 | C1064-E1082 HydrophobicContact CB-CG 3.93Å; R1067-E1082 PolarHBondContact NH2-O 3.13Å; V1080-E1082 WeakPolarHBondContact CG1-O 3.43Å |
| 1083 | D | 77.9 | Confident | 78.3 | Confident | 63 Ų | 63 | 34.1 Ų | 34.1 | 34% | 0.337 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 20.6 | -179.9 | -58.4 | -30.8 | 0 | 0 | 0 | 112.4 | E727 Y728 V1081 | E727-D1083 WeakPolarHBondContact CA-OD1 3.45Å; Y728-D1083 WeakPolarHBondContact CE2-O 3.5Å; V1081-D1083 PolarHBondContact O-N 3.43Å; V1081-D1083 VanDerWaalsContact O-N 3.12Å |
| 1084 | V | 82.8 | Confident | 76.3 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 19% | 0.194 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.6 | -176 | -172.6 | 0 | 0 | 0 | 0 | 110.8 | A720 V1080 V1081 H1086 | A720-V1084 HydrophobicContact CB-CG1 3.91Å; V1080-V1084 WeakPolarHBondContact CA-O 3.3Å; V1081-V1084 PolarHBondContact N-O 2.98Å; V1081-V1084 PolarHBondContact O-N 3.36Å; V1084-H1086 PolarHBondContact O-CD2 3.44Å |
| 1085 | I | 85.9 | Confident | 74.7 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.3 | 171.7 | -59.9 | 167.2 | 0 | 0 | 0 | 107.7 | F721 Y728 L731 L739 W751 V1078 C1079 V1080 | F721-I1085 HydrophobicContact CB-CB 4.01Å; F721-I1085 HydrophobicContact CB-CG2 4.49Å; F721-I1085 HydrophobicContact CD1-CG2 4.33Å; F721-I1085 HydrophobicContact CD2-CB 4.18Å; F721-I1085 HydrophobicContact CD2-CG2 3.81Å; F721-I1085 VanDerWaalsContact CD2-O 3.27Å; F721-I1085 WeakPolarHBondContact CD2-O 3.34Å; F721-I1085 HydrophobicContact CE2-CG2 4.1Å; F721-I1085 HydrophobicContact CG-CB 4.03Å; F721-I1085 HydrophobicContact CG-CG2 3.96Å; F721-I1085 HydrophobicContact CZ-CG2 4.48Å; F721-I1085 PolarHBondContact N-O 3.29Å; Y728-I1085 HydrophobicContact CD1-CD1 4.23Å; Y728-I1085 HydrophobicContact CD2-CD1 4.19Å; Y728-I1085 HydrophobicContact CD2-CG1 3.82Å; Y728-I1085 HydrophobicContact CE1-CD1 4.05Å; Y728-I1085 HydrophobicContact CE2-CD1 3.98Å; Y728-I1085 HydrophobicContact CE2-CG1 3.82Å; Y728-I1085 HydrophobicContact CG-CD1 4.3Å; Y728-I1085 HydrophobicContact CG-CG1 4.27Å; L731-I1085 HydrophobicContact CD1-CD1 4.08Å; L731-I1085 HydrophobicContact CD1-CG1 4.48Å; L739-I1085 HydrophobicContact CD2-CG2 3.87Å; W751-I1085 HydrophobicContact CZ2-CD1 4.3Å; V1078-I1085 HydrophobicContact CG1-CG2 3.27Å; C1079-I1085 CarbonylContact O-C 3.57Å; C1079-I1085 WeakPolarHBondContact O-CA 3.33Å; V1080-I1085 HydrophobicContact CG2-CG1 4.18Å |
| 1086 | H | 86.6 | Confident | 74.6 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 9% | 0.088 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.4 | 175.7 | -66.2 | -84.1 | 0 | 0 | 0 | 110.3 | L719 I1057 V1078 C1079 V1084 | L719-H1086 WeakPolarHBondContact O-CA 3.32Å; I1057-H1086 HydrophobicContact CD1-CB 4.47Å; V1078-H1086 CarbonylContact C-O 3.54Å; V1078-H1086 VanDerWaalsContact CA-O 3.27Å; V1078-H1086 WeakPolarHBondContact CA-O 3.16Å; V1078-H1086 WeakPolarHBondContact CG1-O 3.14Å; C1079-H1086 PolarHBondContact N-O 2.86Å; C1079-H1086 PolarHBondContact O-N 2.81Å; V1084-H1086 PolarHBondContact O-CD2 3.44Å |
| 1087 | R | 87.2 | Confident | 74 | Confident | 58 Ų | 58 | 40.6 Ų | 40.6 | 22% | 0.219 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.1 | 162.7 | 171.3 | 178.4 | -175.5 | -141.6 | -3.8 | 109.4 | P718 L719 F721 G753 R754 L1072 S1076 V1077 V1078 P1089 | P718-R1087 WeakPolarHBondContact CA-O 3.26Å; L719-R1087 HydrophobicContact CB-CB 4.36Å; L719-R1087 PolarHBondContact N-O 3.17Å; L719-R1087 PolarHBondContact O-N 3.08Å; F721-R1087 HydrophobicContact CE2-CB 3.55Å; F721-R1087 HydrophobicContact CZ-CB 4.22Å; G753-R1087 WeakPolarHBondContact O-CD 3.41Å; G753-R1087 PolarHBondContact O-NE 3.48Å; G753-R1087 PolarHBondContact O-NH1 2.97Å; R754-R1087 PolarHBondContact O-NH1 2.68Å; L1072-R1087 HydrophobicContact CD2-CG 4.35Å; S1076-R1087 PolarHBondContact OG-NE 3.4Å; S1076-R1087 PolarHBondContact OG-NH2 3.14Å; V1077-R1087 CarbonylContact O-C 3.57Å; V1077-R1087 WeakPolarHBondContact O-CA 3.07Å; V1078-R1087 HydrophobicContact CG2-CB 4.19Å; V1078-R1087 HydrophobicContact CG2-CG 4.46Å; R1087-P1089 WeakPolarHBondContact O-CD 3.19Å |
| 1088 | V | 85.6 | Confident | 73.3 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 104.5 | 174.4 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | P718 I1041 F1043 V1055 I1057 V1077 | P718-V1088 HydrophobicContact CB-CG2 4.11Å; I1041-V1088 HydrophobicContact CD1-CB 3.98Å; I1041-V1088 HydrophobicContact CD1-CG2 3.63Å; F1043-V1088 HydrophobicContact CE2-CG1 3.76Å; F1043-V1088 HydrophobicContact CZ-CG1 3.85Å; V1055-V1088 HydrophobicContact CB-CG1 4.06Å; V1055-V1088 HydrophobicContact CG1-CG1 3.91Å; V1055-V1088 HydrophobicContact CG2-CG1 3.98Å; I1057-V1088 HydrophobicContact CD1-CG2 4Å; I1057-V1088 HydrophobicContact CG1-CG2 4.47Å; V1077-V1088 PolarHBondContact N-O 2.91Å; V1077-V1088 PolarHBondContact O-N 2.81Å |
| 1089 | P | 80.3 | Confident | 72.4 | Confident | 33 Ų | 33 | 45.4 Ų | 45.4 | 21% | 0.214 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 143.1 | 169.3 | 26.3 | -32.8 | 0 | 0 | 0 | 110.6 | S716 R1087 | S716-P1089 WeakPolarHBondContact OG-CG 3.37Å; R1087-P1089 WeakPolarHBondContact O-CD 3.19Å |
| 1090 | F | 72.9 | Confident | 71.4 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 13% | 0.127 | 25% | 0.254 | C | S | . | . | trans | -62.5 | 133.7 | 170.7 | 175.3 | -105.7 | 0 | 0 | 0 | 109.2 | L1028 V1032 F1043 L1052 D1075 V1092 | L1028-F1090 HydrophobicContact CD1-CB 3.94Å; L1028-F1090 HydrophobicContact CD1-CD2 4.03Å; L1028-F1090 HydrophobicContact CD1-CG 4.27Å; V1032-F1090 HydrophobicContact CB-CE2 4.31Å; V1032-F1090 HydrophobicContact CG1-CD2 3.72Å; V1032-F1090 HydrophobicContact CG1-CE2 3.33Å; V1032-F1090 HydrophobicContact CG1-CZ 4.1Å; V1032-F1090 HydrophobicContact CG2-CE2 4.09Å; V1032-F1090 HydrophobicContact CG2-CZ 4.01Å; F1043-F1090 HydrophobicContact CB-CE2 4.43Å; F1043-F1090 AromaticContact CD1-CD2 3.82Å; F1043-F1090 HydrophobicContact CD1-CD2 3.82Å; F1043-F1090 HydrophobicContact CD1-CE2 4.4Å; F1043-F1090 HydrophobicContact CE1-CD2 4.22Å; F1043-F1090 HydrophobicContact CG-CD2 4.2Å; L1052-F1090 HydrophobicContact CD1-CE2 3.62Å; L1052-F1090 HydrophobicContact CD1-CZ 3.73Å; D1075-F1090 VanDerWaalsContact O-CB 3.26Å; D1075-F1090 WeakPolarHBondContact O-CB 3.42Å; D1075-F1090 PolarHBondContact O-N 3.12Å; F1090-V1092 PolarHBondContact O-N 3.45Å | ||
| 1091 | P | 61.6 | Low | 70.6 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | trans | -58.3 | 113.5 | 177.4 | 21.6 | -34.4 | 0 | 0 | 0 | 111.8 | I713 F1043 R1053 V1093 | I713-P1091 HydrophobicContact CD1-CB 4.43Å; I713-P1091 HydrophobicContact CG2-CB 3.26Å; F1043-P1091 HydrophobicContact CD2-CG 4.41Å; R1053-P1091 HydrophobicContact CB-CG 4.09Å; P1091-V1093 PolarHBondContact O-N 3.12Å; P1091-V1093 VanDerWaalsContact O-N 3.07Å | ||
| 1092 | V | 53.7 | Low | 69.9 | Low | 100 Ų | 100 | 54.9 Ų | 54.9 | 61% | 0.606 | 29% | 0.289 | S | S | * | . | trans | -69.4 | 106.8 | 167 | -176 | 0 | 0 | 0 | 0 | 107 | F1090 K1094 | F1090-V1092 PolarHBondContact O-N 3.45Å; V1092-K1094 PolarHBondContact O-N 3.33Å; V1092-K1094 VanDerWaalsContact O-N 3.12Å | ||
| 1093 | V | 49.9 | Very low | 69.2 | Low | 55 Ų | 55 | 51.7 Ų | 51.7 | 33% | 0.333 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -60.2 | 116.7 | 169.3 | -176.1 | 0 | 0 | 0 | 0 | 106.3 | P1091 V1095 | P1091-V1093 PolarHBondContact O-N 3.12Å; P1091-V1093 VanDerWaalsContact O-N 3.07Å; V1093-V1095 PolarHBondContact O-N 2.93Å |
| 1094 | K | 37 | Very low | 68.5 | Low | 137 Ų | 137 | 50.8 Ų | 50.8 | 60% | 0.596 | 27% | 0.272 | S | S | * | . | trans | -66.2 | 110.1 | 170 | -151.7 | 176.9 | -173 | -179 | 0 | 105.8 | F712 I714 V1092 | F712-K1094 PolarHBondContact O-N 3.23Å; F712-K1094 VanDerWaalsContact O-N 3.13Å; I714-K1094 HydrophobicContact CD1-CB 4.23Å; I714-K1094 HydrophobicContact CD1-CD 4.11Å; I714-K1094 HydrophobicContact CD1-CG 4.04Å; I714-K1094 HydrophobicContact CG1-CB 4.18Å; I714-K1094 HydrophobicContact CG1-CD 4.15Å; I714-K1094 HydrophobicContact CG1-CG 4.36Å; V1092-K1094 PolarHBondContact O-N 3.33Å; V1092-K1094 VanDerWaalsContact O-N 3.12Å | ||
| 1095 | V | 38.5 | Very low | 67.2 | Low | 141 Ų | 141 | 52.5 Ų | 52.5 | 86% | 0.855 | 28% | 0.279 | S | S | * | . | trans | -65.4 | 0 | 177.2 | 178.4 | 0 | 0 | 0 | 0 | 110 | V1093 | V1093-V1095 PolarHBondContact O-N 2.93Š|
Retrieved 1,095 of 1,095 residues in 1031.3 ms
(Link to these results)