| 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 | 82.9 | Confident | 94.9 | Very high | 231 Ų | 231 | 105.1 Ų | 105.1 | 100% | 1.138 | 53% | 0.531 | S | S | * | . | 0 | 137.6 | 0 | -170.2 | 169.9 | 179.9 | 0 | 0 | 107.6 | |||||
| 2 | L | 93.3 | Very high | 95.2 | Very high | 45 Ų | 45 | 107.3 Ų | 107.3 | 24% | 0.236 | 54% | 0.535 | C | S | . | . | trans | -80.1 | 138.8 | 178.7 | -65.5 | 170.7 | 0 | 0 | 0 | 110.2 | D6 F7 M37 V38 N41 | L2-D6 HydrophobicContact CD2-CB 4.37Å; L2-F7 HydrophobicContact CB-CE2 4.04Å; L2-F7 HydrophobicContact CB-CZ 4.47Å; L2-F7 HydrophobicContact CD1-CE2 4.37Å; L2-F7 HydrophobicContact CD1-CZ 4.02Å; L2-M37 HydrophobicContact CD2-CB 4.14Å; L2-V38 HydrophobicContact CD1-CB 4.35Å; L2-V38 HydrophobicContact CD1-CG1 4.21Å; L2-V38 HydrophobicContact CD1-CG2 4.19Å; L2-V38 HydrophobicContact CD2-CG2 4.34Å; L2-N41 HydrophobicContact CD1-CB 4.19Å; L2-N41 HydrophobicContact CD2-CB 4.3Å; L2-N41 HydrophobicContact CG-CB 4.45Å | ||
| 3 | M | 95.5 | Very high | 95.3 | Very high | 120 Ų | 120 | 105.5 Ų | 105.5 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | trans | -94.5 | 156.1 | 175.8 | -61.3 | -60.1 | -75.9 | 0 | 0 | 110.4 | D5 D6 | M3-D5 PolarHBondContact O-N 3Å; M3-D5 VanDerWaalsContact O-N 3.13Å; M3-D6 PolarHBondContact N-OD2 3.13Å; M3-D6 VanDerWaalsContact O-CB 3.3Å; M3-D6 WeakPolarHBondContact O-CB 3.37Å; M3-D6 PolarHBondContact O-N 3.31Å | ||
| 4 | P | 96 | Very high | 95.5 | Very high | 95 Ų | 95 | 108.3 Ų | 108.3 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -54.7 | -32.9 | 178.1 | -28 | 36.1 | 0 | 0 | 0 | 114 | D6 F7 | P4-D6 VanDerWaalsContact C-N 3.28Å; P4-D6 PolarHBondContact O-N 2.78Å; P4-F7 PolarHBondContact O-N 2.91Å |
| 5 | D | 96.1 | Very high | 95.5 | Very high | 118 Ų | 118 | 103.3 Ų | 103.3 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -68.4 | -26.2 | 178.7 | -68.1 | -20.7 | 0 | 0 | 0 | 112.9 | M3 F7 K8 A9 | M3-D5 PolarHBondContact O-N 3Å; M3-D5 VanDerWaalsContact O-N 3.13Å; D5-F7 PolarHBondContact O-N 3.19Å; D5-K8 PolarHBondContact O-N 3.41Å; D5-A9 PolarHBondContact O-N 2.97Å |
| 6 | D | 96.6 | Very high | 95.5 | Very high | 34 Ų | 34 | 102.3 Ų | 102.3 | 18% | 0.182 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -62.4 | -26.9 | 177.1 | -66.1 | -42.1 | 0 | 0 | 0 | 111.9 | L2 M3 P4 K8 C35 M37 V38 | L2-D6 HydrophobicContact CD2-CB 4.37Å; M3-D6 PolarHBondContact N-OD2 3.13Å; M3-D6 VanDerWaalsContact O-CB 3.3Å; M3-D6 WeakPolarHBondContact O-CB 3.37Å; M3-D6 PolarHBondContact O-N 3.31Å; P4-D6 VanDerWaalsContact C-N 3.28Å; P4-D6 PolarHBondContact O-N 2.78Å; D6-K8 VanDerWaalsContact C-N 3.3Å; D6-C35 WeakPolarHBondContact O-CA 3.4Å; D6-C35 WeakPolarHBondContact O-CB 3.41Å; D6-M37 HydrophobicContact CB-CB 4.31Å; D6-V38 HydrophobicContact CB-CG2 3.89Å; D6-V38 WeakPolarHBondContact O-CG2 3.3Å |
| 7 | F | 96.6 | Very high | 95.4 | Very high | 118 Ų | 118 | 98.6 Ų | 98.6 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -81.4 | -8.3 | 177.6 | -66.8 | -92.8 | 0 | 0 | 0 | 113.8 | L2 P4 D5 C35 V38 | L2-F7 HydrophobicContact CB-CE2 4.04Å; L2-F7 HydrophobicContact CB-CZ 4.47Å; L2-F7 HydrophobicContact CD1-CE2 4.37Å; L2-F7 HydrophobicContact CD1-CZ 4.02Å; P4-F7 PolarHBondContact O-N 2.91Å; D5-F7 PolarHBondContact O-N 3.19Å; F7-C35 VanDerWaalsContact C-SG 3.54Å; F7-C35 PolarHBondContact O-SG 3Å; F7-V38 HydrophobicContact CD1-CG1 4.17Å; F7-V38 HydrophobicContact CD1-CG2 3.97Å; F7-V38 HydrophobicContact CD2-CG2 4.25Å; F7-V38 HydrophobicContact CE1-CG1 3.73Å; F7-V38 HydrophobicContact CE1-CG2 4.04Å; F7-V38 HydrophobicContact CE2-CG2 4.3Å; F7-V38 HydrophobicContact CG-CG2 4.08Å; F7-V38 HydrophobicContact CZ-CG1 4.26Å; F7-V38 HydrophobicContact CZ-CG2 4.2Å |
| 8 | K | 95.9 | Very high | 95.3 | Very high | 167 Ų | 167 | 102.1 Ų | 102.1 | 73% | 0.726 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -14.4 | 175.1 | -62.2 | 177.2 | -175.7 | 171.1 | 0 | 112.2 | D5 D6 | D5-K8 PolarHBondContact O-N 3.41Å; D6-K8 VanDerWaalsContact C-N 3.3Å |
| 9 | A | 97 | Very high | 94.9 | Very high | 36 Ų | 36 | 103.6 Ų | 103.6 | 30% | 0.298 | 52% | 0.515 | S | S | . | . | trans | -61.1 | 147.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D5 C35 | D5-A9 PolarHBondContact O-N 2.97Å; A9-C35 WeakPolarHBondContact O-CA 3.38Å; A9-C35 PolarHBondContact O-N 3.18Å | ||
| 10 | Y | 97.3 | Very high | 94.8 | Very high | 141 Ų | 141 | 105.3 Ų | 105.3 | 55% | 0.553 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149 | 150.4 | 169.8 | 61.8 | -94.7 | 0 | 0 | 0 | 110.2 | K12 K32 E33 | Y10-K12 HydrophobicContact CD2-CB 4.28Å; Y10-K12 HydrophobicContact CE2-CB 4.42Å; Y10-K32 HydrophobicContact CD2-CD 4.44Å; Y10-K32 VanDerWaalsContact CD2-CE 3.48Å; Y10-K32 VanDerWaalsContact CG-CE 3.41Å; Y10-E33 CarbonylContact C-O 3.47Å; Y10-E33 WeakPolarHBondContact CA-O 3.46Å; Y10-E33 WeakPolarHBondContact CB-O 3.19Å |
| 11 | S | 97.2 | Very high | 94.5 | Very high | 51 Ų | 51 | 103 Ų | 103 | 36% | 0.357 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132.7 | 167.8 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | K32 E33 | S11-K32 CarbonylContact O-C 3.51Å; S11-K32 VanDerWaalsContact O-CA 3.26Å; S11-K32 WeakPolarHBondContact O-CA 3.42Å; S11-E33 PolarHBondContact N-O 2.85Å; S11-E33 PolarHBondContact O-N 3.46Å |
| 12 | K | 97.6 | Very high | 94.7 | Very high | 131 Ų | 131 | 97.6 Ų | 97.6 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 124.1 | 179.5 | -173.5 | 177.5 | -179.1 | 177.8 | 0 | 110.2 | Y10 F31 K32 | Y10-K12 HydrophobicContact CD2-CB 4.28Å; Y10-K12 HydrophobicContact CE2-CB 4.42Å; K12-F31 CarbonylContact C-O 3.49Å; K12-F31 WeakPolarHBondContact CA-O 3.47Å; K12-K32 HydrophobicContact CB-CG 4.41Å |
| 13 | I | 97.6 | Very high | 94.6 | Very high | 85 Ų | 85 | 104 Ų | 104 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.9 | 179.6 | -55.6 | 172.6 | 0 | 0 | 0 | 108 | V15 K30 F31 | I13-V15 HydrophobicContact CG2-CG2 4.01Å; I13-K30 CarbonylContact O-C 3.57Å; I13-K30 VanDerWaalsContact O-CA 3.22Å; I13-K30 WeakPolarHBondContact O-CA 3.39Å; I13-F31 HydrophobicContact CB-CB 4.47Å; I13-F31 HydrophobicContact CD1-CD1 4.46Å; I13-F31 PolarHBondContact N-O 3.07Å; I13-F31 PolarHBondContact O-N 3.21Å |
| 14 | K | 97.2 | Very high | 94.4 | Very high | 144 Ų | 144 | 104.4 Ų | 104.4 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.2 | 170.4 | -180 | -172.9 | 175.4 | -162.5 | 0 | 107.6 | K30 | K14-K30 HydrophobicContact CB-CG 4.17Å; K14-K30 HydrophobicContact CG-CG 3.98Å |
| 15 | V | 96.3 | Very high | 94.1 | Very high | 33 Ų | 33 | 103.6 Ų | 103.6 | 20% | 0.2 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.7 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | I13 N17 R28 F29 | I13-V15 HydrophobicContact CG2-CG2 4.01Å; V15-N17 WeakPolarHBondContact CG1-OD1 3.38Å; V15-R28 WeakPolarHBondContact O-CA 3.45Å; V15-F29 HydrophobicContact CB-CD1 3.98Å; V15-F29 HydrophobicContact CB-CD2 4.49Å; V15-F29 HydrophobicContact CB-CE1 3.62Å; V15-F29 HydrophobicContact CB-CE2 4.17Å; V15-F29 HydrophobicContact CB-CG 4.41Å; V15-F29 HydrophobicContact CB-CZ 3.73Å; V15-F29 HydrophobicContact CG1-CD1 4.32Å; V15-F29 HydrophobicContact CG1-CE1 3.69Å; V15-F29 HydrophobicContact CG1-CZ 4.05Å; V15-F29 HydrophobicContact CG2-CD2 4.46Å; V15-F29 HydrophobicContact CG2-CE1 3.99Å; V15-F29 HydrophobicContact CG2-CE2 3.79Å; V15-F29 HydrophobicContact CG2-CZ 3.53Å; V15-F29 PolarHBondContact N-O 3.42Å; V15-F29 PolarHBondContact O-N 3.15Å; V15-F29 VanDerWaalsContact O-N 3.15Å |
| 16 | D | 95.4 | Very high | 94 | Very high | 87 Ų | 87 | 102 Ų | 102 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 98.1 | 174.6 | -163.4 | -12.9 | 0 | 0 | 0 | 108.6 | S27 R28 | D16-S27 CarbonylContact C-O 3.54Å; D16-S27 WeakPolarHBondContact CA-O 3.37Å; D16-R28 HydrophobicContact CB-CG 4.46Å; D16-R28 VanDerWaalsContact OD1-CG 3.28Å; D16-R28 WeakPolarHBondContact OD1-CG 3.29Å; D16-R28 IonicContact OD1-CZ 3.46Å; D16-R28 IonicContact OD1-NE 2.78Å; D16-R28 PolarHBondContact OD1-NE 3.24Å; D16-R28 IonicContact OD1-NH2 3.08Å; D16-R28 IonicContact OD2-NE 2.87Å |
| 17 | N | 92.8 | Very high | 93.8 | Very high | 40 Ų | 40 | 102.2 Ų | 102.2 | 21% | 0.214 | 50% | 0.503 | C | S | . | . | trans | -100.5 | 131.4 | -176.1 | -69.7 | -19.2 | 0 | 0 | 0 | 110 | V15 F20 S27 | V15-N17 WeakPolarHBondContact CG1-OD1 3.38Å; N17-F20 HydrophobicContact CB-CB 4.34Å; N17-S27 PolarHBondContact N-O 3.49Å | ||
| 18 | H | 94.4 | Very high | 93.8 | Very high | 162 Ų | 162 | 105.5 Ų | 105.5 | 75% | 0.75 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -107.2 | 117.4 | 171.6 | -172.1 | 70.4 | 0 | 0 | 0 | 109.8 | F20 | H18-F20 PolarHBondContact O-N 3.23Å; H18-F20 VanDerWaalsContact O-N 3.12Å |
| 19 | L | 87.9 | Confident | 93.9 | Very high | 130 Ų | 130 | 100.9 Ų | 100.9 | 68% | 0.681 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 52.9 | 31.6 | 179.2 | -60.3 | 173.3 | 0 | 0 | 0 | 114.5 | ||
| 20 | F | 91.8 | Very high | 93.9 | Very high | 137 Ų | 137 | 105.9 Ų | 105.9 | 60% | 0.601 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -129.5 | 134.8 | -178.7 | -179.5 | -102.5 | 0 | 0 | 0 | 111.4 | N17 H18 K22 | N17-F20 HydrophobicContact CB-CB 4.34Å; H18-F20 PolarHBondContact O-N 3.23Å; H18-F20 VanDerWaalsContact O-N 3.12Å; F20-K22 VanDerWaalsContact C-N 3.26Å; F20-K22 PolarHBondContact O-N 2.81Å; F20-K22 VanDerWaalsContact O-N 3.11Å |
| 21 | N | 88.8 | Confident | 93.9 | Very high | 58 Ų | 58 | 104.8 Ų | 104.8 | 31% | 0.31 | 51% | 0.505 | S | S | . | . | S | Bend | trans | 48.5 | 35.3 | 173.1 | -161.1 | 32 | 0 | 0 | 0 | 116.3 | E23 N24 L25 | N21-E23 VanDerWaalsContact C-N 3.28Å; N21-E23 PolarHBondContact O-N 2.84Å; N21-N24 PolarHBondContact O-N 3.15Å; N21-N24 WeakPolarHBondContact OD1-CB 3.43Å; N21-N24 PolarHBondContact OD1-ND2 3Å; N21-L25 PolarHBondContact O-N 2.91Å |
| 22 | K | 88.2 | Confident | 93.9 | Very high | 118 Ų | 118 | 106 Ų | 106 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -27 | -174.3 | -72.2 | -171.9 | 170.9 | -176.5 | 0 | 114.5 | F20 | F20-K22 VanDerWaalsContact C-N 3.26Å; F20-K22 PolarHBondContact O-N 2.81Å; F20-K22 VanDerWaalsContact O-N 3.11Å |
| 23 | E | 91.3 | Very high | 93.9 | Very high | 180 Ų | 180 | 103.2 Ų | 103.2 | 84% | 0.841 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -31.7 | -177.9 | -57.8 | -55.5 | 133.9 | 0 | 0 | 112.4 | N21 | N21-E23 VanDerWaalsContact C-N 3.28Å; N21-E23 PolarHBondContact O-N 2.84Å |
| 24 | N | 89.9 | Confident | 93.9 | Very high | 128 Ų | 128 | 105.5 Ų | 105.5 | 68% | 0.684 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -30.5 | -174.2 | -60 | -56 | 0 | 0 | 0 | 113.4 | N21 | N21-N24 PolarHBondContact O-N 3.15Å; N21-N24 WeakPolarHBondContact OD1-CB 3.43Å; N21-N24 PolarHBondContact OD1-ND2 3Å |
| 25 | L | 91.1 | Very high | 93.9 | Very high | 78 Ų | 78 | 99.6 Ų | 99.6 | 41% | 0.408 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -137.6 | 147.8 | -174.5 | -70.5 | 175.7 | 0 | 0 | 0 | 112.2 | N21 S27 | N21-L25 PolarHBondContact O-N 2.91Å; L25-S27 PolarHBondContact O-N 2.98Å |
| 26 | P | 93.2 | Very high | 93.9 | Very high | 85 Ų | 85 | 99.7 Ų | 99.7 | 55% | 0.552 | 48% | 0.475 | S | S | * | . | trans | -56.1 | 139.2 | 168 | -22.4 | 33.1 | 0 | 0 | 0 | 111.1 | R28 F29 | P26-R28 PolarHBondContact O-N 2.88Å; P26-F29 HydrophobicContact CB-CD1 4.35Å; P26-F29 VanDerWaalsContact O-CD1 3.25Å; P26-F29 WeakPolarHBondContact O-CD1 3.36Å | ||
| 27 | S | 93.2 | Very high | 94 | Very high | 37 Ų | 37 | 99.1 Ų | 99.1 | 26% | 0.259 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -67.5 | -25.8 | -179.6 | -57 | 0 | 0 | 0 | 0 | 113.2 | D16 N17 L25 | D16-S27 CarbonylContact C-O 3.54Å; D16-S27 WeakPolarHBondContact CA-O 3.37Å; N17-S27 PolarHBondContact N-O 3.49Å; L25-S27 PolarHBondContact O-N 2.98Å |
| 28 | R | 96.3 | Very high | 94.3 | Very high | 188 Ų | 188 | 97.9 Ų | 97.9 | 71% | 0.709 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 111.4 | -178.6 | -69.6 | 179.1 | 179 | 164.7 | 2.2 | 110.3 | V15 D16 P26 | V15-R28 WeakPolarHBondContact O-CA 3.45Å; D16-R28 HydrophobicContact CB-CG 4.46Å; D16-R28 VanDerWaalsContact OD1-CG 3.28Å; D16-R28 WeakPolarHBondContact OD1-CG 3.29Å; D16-R28 IonicContact OD1-CZ 3.46Å; D16-R28 IonicContact OD1-NE 2.78Å; D16-R28 PolarHBondContact OD1-NE 3.24Å; D16-R28 IonicContact OD1-NH2 3.08Å; D16-R28 IonicContact OD2-NE 2.87Å; P26-R28 PolarHBondContact O-N 2.88Å |
| 29 | F | 96.4 | Very high | 94.4 | Very high | 70 Ų | 70 | 95.5 Ų | 95.5 | 31% | 0.307 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 165.2 | 175.5 | 65.8 | -86.8 | 0 | 0 | 0 | 111.7 | V15 P26 | V15-F29 HydrophobicContact CB-CD1 3.98Å; V15-F29 HydrophobicContact CB-CD2 4.49Å; V15-F29 HydrophobicContact CB-CE1 3.62Å; V15-F29 HydrophobicContact CB-CE2 4.17Å; V15-F29 HydrophobicContact CB-CG 4.41Å; V15-F29 HydrophobicContact CB-CZ 3.73Å; V15-F29 HydrophobicContact CG1-CD1 4.32Å; V15-F29 HydrophobicContact CG1-CE1 3.69Å; V15-F29 HydrophobicContact CG1-CZ 4.05Å; V15-F29 HydrophobicContact CG2-CD2 4.46Å; V15-F29 HydrophobicContact CG2-CE1 3.99Å; V15-F29 HydrophobicContact CG2-CE2 3.79Å; V15-F29 HydrophobicContact CG2-CZ 3.53Å; V15-F29 PolarHBondContact N-O 3.42Å; V15-F29 PolarHBondContact O-N 3.15Å; V15-F29 VanDerWaalsContact O-N 3.15Å; P26-F29 HydrophobicContact CB-CD1 4.35Å; P26-F29 VanDerWaalsContact O-CD1 3.25Å; P26-F29 WeakPolarHBondContact O-CD1 3.36Å |
| 30 | K | 97.1 | Very high | 94.8 | Very high | 141 Ų | 141 | 95 Ų | 95 | 61% | 0.613 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.5 | 174.8 | -64.8 | 172.2 | -172.5 | 167.4 | 0 | 108.1 | I13 K14 | I13-K30 CarbonylContact O-C 3.57Å; I13-K30 VanDerWaalsContact O-CA 3.22Å; I13-K30 WeakPolarHBondContact O-CA 3.39Å; K14-K30 HydrophobicContact CB-CG 4.17Å; K14-K30 HydrophobicContact CG-CG 3.98Å |
| 31 | F | 97.3 | Very high | 95.1 | Very high | 118 Ų | 118 | 90.2 Ų | 90.2 | 52% | 0.518 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.3 | 173.6 | -178.4 | -101.5 | 0 | 0 | 0 | 108.5 | K12 I13 E33 | K12-F31 CarbonylContact C-O 3.49Å; K12-F31 WeakPolarHBondContact CA-O 3.47Å; I13-F31 HydrophobicContact CB-CB 4.47Å; I13-F31 HydrophobicContact CD1-CD1 4.46Å; I13-F31 PolarHBondContact N-O 3.07Å; I13-F31 PolarHBondContact O-N 3.21Å; F31-E33 HydrophobicContact CE1-CB 4.02Å |
| 32 | K | 97.8 | Very high | 95.5 | Very high | 75 Ų | 75 | 90.6 Ų | 90.6 | 33% | 0.326 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 121.4 | 176.6 | -173.2 | 176.5 | 177.3 | -167.5 | 0 | 109.5 | Y10 S11 K12 Y34 | Y10-K32 HydrophobicContact CD2-CD 4.44Å; Y10-K32 VanDerWaalsContact CD2-CE 3.48Å; Y10-K32 VanDerWaalsContact CG-CE 3.41Å; S11-K32 CarbonylContact O-C 3.51Å; S11-K32 VanDerWaalsContact O-CA 3.26Å; S11-K32 WeakPolarHBondContact O-CA 3.42Å; K12-K32 HydrophobicContact CB-CG 4.41Å; K32-Y34 HydrophobicContact CD-CE1 4.01Å; K32-Y34 HydrophobicContact CD-CE2 3.99Å; K32-Y34 WeakPolarHBondContact CD-OH 3.42Å; K32-Y34 WeakPolarHBondContact CE-OH 3.13Å; K32-Y34 HydrophobicContact CG-CE2 4.12Å; K32-Y34 VanDerWaalsContact NZ-CZ 3.33Å; K32-Y34 PolarHBondContact NZ-OH 3.1Å |
| 33 | E | 97.5 | Very high | 95.9 | Very high | 73 Ų | 73 | 87.4 Ų | 87.4 | 34% | 0.341 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.9 | 173.2 | -174.4 | 178.3 | -152.8 | 0 | 0 | 108.7 | Y10 S11 F31 P36 | Y10-E33 CarbonylContact C-O 3.47Å; Y10-E33 WeakPolarHBondContact CA-O 3.46Å; Y10-E33 WeakPolarHBondContact CB-O 3.19Å; S11-E33 PolarHBondContact N-O 2.85Å; S11-E33 PolarHBondContact O-N 3.46Å; F31-E33 HydrophobicContact CE1-CB 4.02Å; E33-P36 HydrophobicContact CG-CB 4.25Å |
| 34 | Y | 97.9 | Very high | 96.2 | Very high | 133 Ų | 133 | 85.3 Ų | 85.3 | 52% | 0.522 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 141.2 | 178.2 | -70.2 | -86 | 0 | 0 | 0 | 109.8 | K32 F39 | K32-Y34 HydrophobicContact CD-CE1 4.01Å; K32-Y34 HydrophobicContact CD-CE2 3.99Å; K32-Y34 WeakPolarHBondContact CD-OH 3.42Å; K32-Y34 WeakPolarHBondContact CE-OH 3.13Å; K32-Y34 HydrophobicContact CG-CE2 4.12Å; K32-Y34 VanDerWaalsContact NZ-CZ 3.33Å; K32-Y34 PolarHBondContact NZ-OH 3.1Å; Y34-F39 WeakPolarHBondContact O-CD2 3.42Å; Y34-F39 WeakPolarHBondContact O-CE2 3.26Å |
| 35 | C | 97.5 | Very high | 96.5 | Very high | 21 Ų | 21 | 88.1 Ų | 88.1 | 14% | 0.142 | 40% | 0.4 | C | S | . | . | S | Bend | trans | 46.3 | 52.6 | 172.3 | -46.2 | 0 | 0 | 0 | 0 | 113.3 | D6 F7 A9 M37 V38 F39 | D6-C35 WeakPolarHBondContact O-CA 3.4Å; D6-C35 WeakPolarHBondContact O-CB 3.41Å; F7-C35 VanDerWaalsContact C-SG 3.54Å; F7-C35 PolarHBondContact O-SG 3Å; A9-C35 WeakPolarHBondContact O-CA 3.38Å; A9-C35 PolarHBondContact O-N 3.18Å; C35-M37 VanDerWaalsContact C-N 3.26Å; C35-M37 PolarHBondContact O-N 3.46Å; C35-M37 VanDerWaalsContact O-N 3.15Å; C35-V38 HydrophobicContact CB-CB 3.78Å; C35-V38 HydrophobicContact CB-CG2 3.79Å; C35-V38 WeakPolarHBondContact O-CA 3.47Å; C35-V38 WeakPolarHBondContact O-CB 3.07Å; C35-V38 PolarHBondContact O-N 3.13Å; C35-F39 HydrophobicContact CB-CD2 4.2Å; C35-F39 HydrophobicContact CB-CE2 4.3Å; C35-F39 PolarHBondContact O-N 3.38Å |
| 36 | P | 97.1 | Very high | 96.9 | Very high | 35 Ų | 35 | 91.7 Ų | 91.7 | 23% | 0.227 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -56.3 | -40 | -168.3 | 21.6 | -33.7 | 0 | 0 | 0 | 112.6 | E33 V38 R40 | E33-P36 HydrophobicContact CG-CB 4.25Å; P36-V38 VanDerWaalsContact C-N 3.35Å; P36-V38 PolarHBondContact O-N 3.36Å; P36-R40 WeakPolarHBondContact O-CB 3.35Å; P36-R40 PolarHBondContact O-N 3.03Å |
| 37 | M | 97 | Very high | 97 | Very high | 75 Ų | 75 | 91 Ų | 91 | 37% | 0.369 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.5 | -35.3 | 177.6 | -65 | -60.9 | -66.5 | 0 | 0 | 112.7 | L2 D6 C35 N41 | L2-M37 HydrophobicContact CD2-CB 4.14Å; D6-M37 HydrophobicContact CB-CB 4.31Å; C35-M37 VanDerWaalsContact C-N 3.26Å; C35-M37 PolarHBondContact O-N 3.46Å; C35-M37 VanDerWaalsContact O-N 3.15Å; M37-N41 PolarHBondContact O-N 2.87Å; M37-N41 VanDerWaalsContact O-N 3.07Å |
| 38 | V | 97.9 | Very high | 97.3 | Very high | 14 Ų | 14 | 92.9 Ų | 92.9 | 9% | 0.085 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.8 | -49.1 | 178 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | L2 D6 F7 C35 P36 R40 N41 L42 | L2-V38 HydrophobicContact CD1-CB 4.35Å; L2-V38 HydrophobicContact CD1-CG1 4.21Å; L2-V38 HydrophobicContact CD1-CG2 4.19Å; L2-V38 HydrophobicContact CD2-CG2 4.34Å; D6-V38 HydrophobicContact CB-CG2 3.89Å; D6-V38 WeakPolarHBondContact O-CG2 3.3Å; F7-V38 HydrophobicContact CD1-CG1 4.17Å; F7-V38 HydrophobicContact CD1-CG2 3.97Å; F7-V38 HydrophobicContact CD2-CG2 4.25Å; F7-V38 HydrophobicContact CE1-CG1 3.73Å; F7-V38 HydrophobicContact CE1-CG2 4.04Å; F7-V38 HydrophobicContact CE2-CG2 4.3Å; F7-V38 HydrophobicContact CG-CG2 4.08Å; F7-V38 HydrophobicContact CZ-CG1 4.26Å; F7-V38 HydrophobicContact CZ-CG2 4.2Å; C35-V38 HydrophobicContact CB-CB 3.78Å; C35-V38 HydrophobicContact CB-CG2 3.79Å; C35-V38 WeakPolarHBondContact O-CA 3.47Å; C35-V38 WeakPolarHBondContact O-CB 3.07Å; C35-V38 PolarHBondContact O-N 3.13Å; P36-V38 VanDerWaalsContact C-N 3.35Å; P36-V38 PolarHBondContact O-N 3.36Å; V38-R40 VanDerWaalsContact C-N 3.34Å; V38-R40 PolarHBondContact O-N 2.82Å; V38-N41 PolarHBondContact O-N 2.92Å; V38-L42 HydrophobicContact CG1-CD1 4.35Å; V38-L42 WeakPolarHBondContact O-CG 3.47Å; V38-L42 PolarHBondContact O-N 3.4Å |
| 39 | F | 97.6 | Very high | 97.3 | Very high | 111 Ų | 111 | 88 Ų | 88 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 178.9 | -79 | -77.2 | 0 | 0 | 0 | 112.7 | Y34 C35 L42 R43 | Y34-F39 WeakPolarHBondContact O-CD2 3.42Å; Y34-F39 WeakPolarHBondContact O-CE2 3.26Å; C35-F39 HydrophobicContact CB-CD2 4.2Å; C35-F39 HydrophobicContact CB-CE2 4.3Å; C35-F39 PolarHBondContact O-N 3.38Å; F39-L42 HydrophobicContact CD1-CD1 4.11Å; F39-L42 HydrophobicContact CE1-CD1 4.38Å; F39-L42 PolarHBondContact O-N 2.78Å; F39-R43 WeakPolarHBondContact O-CG 3.19Å; F39-R43 PolarHBondContact O-N 3.16Å |
| 40 | R | 96.8 | Very high | 97.2 | Very high | 119 Ų | 119 | 87.4 Ų | 87.4 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 171.2 | -172.8 | 174.1 | 69.9 | 167.6 | 7.3 | 111.8 | P36 V38 L42 R43 E44 D50 | P36-R40 WeakPolarHBondContact O-CB 3.35Å; P36-R40 PolarHBondContact O-N 3.03Å; V38-R40 VanDerWaalsContact C-N 3.34Å; V38-R40 PolarHBondContact O-N 2.82Å; R40-L42 VanDerWaalsContact C-N 3.3Å; R40-L42 PolarHBondContact O-N 2.75Å; R40-R43 PolarHBondContact O-N 3.08Å; R40-E44 PolarHBondContact O-N 2.8Å; R40-E44 VanDerWaalsContact O-N 3.13Å; R40-D50 WeakPolarHBondContact CD-OD2 3.47Å; R40-D50 WeakPolarHBondContact CG-OD2 3.36Å |
| 41 | N | 96.8 | Very high | 97.2 | Very high | 38 Ų | 38 | 87 Ų | 87 | 20% | 0.203 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.1 | -31 | 177 | -171.8 | -116.1 | 0 | 0 | 0 | 112.7 | L2 M37 V38 E44 R45 | L2-N41 HydrophobicContact CD1-CB 4.19Å; L2-N41 HydrophobicContact CD2-CB 4.3Å; L2-N41 HydrophobicContact CG-CB 4.45Å; M37-N41 PolarHBondContact O-N 2.87Å; M37-N41 VanDerWaalsContact O-N 3.07Å; V38-N41 PolarHBondContact O-N 2.92Å; N41-E44 PolarHBondContact ND2-OE2 2.98Å; N41-E44 VanDerWaalsContact ND2-OE2 3.15Å; N41-R45 VanDerWaalsContact O-CG 3.29Å; N41-R45 WeakPolarHBondContact O-CG 3.22Å; N41-R45 PolarHBondContact O-N 3.28Å; N41-R45 VanDerWaalsContact O-N 3.1Å; N41-R45 PolarHBondContact OD1-NE 3.13Å; N41-R45 PolarHBondContact OD1-NH2 3.44Å |
| 42 | L | 97.6 | Very high | 97.2 | Very high | 66 Ų | 66 | 86.1 Ų | 86.1 | 35% | 0.346 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 172.1 | -74.6 | 171.8 | 0 | 0 | 0 | 111.5 | V38 F39 R40 E44 R45 F46 | V38-L42 HydrophobicContact CG1-CD1 4.35Å; V38-L42 WeakPolarHBondContact O-CG 3.47Å; V38-L42 PolarHBondContact O-N 3.4Å; F39-L42 HydrophobicContact CD1-CD1 4.11Å; F39-L42 HydrophobicContact CE1-CD1 4.38Å; F39-L42 PolarHBondContact O-N 2.78Å; R40-L42 VanDerWaalsContact C-N 3.3Å; R40-L42 PolarHBondContact O-N 2.75Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-E44 PolarHBondContact O-N 3.04Å; L42-R45 PolarHBondContact O-N 3.45Å; L42-R45 VanDerWaalsContact O-N 3.13Å; L42-F46 HydrophobicContact CB-CD2 4.47Å; L42-F46 HydrophobicContact CB-CE2 4.38Å; L42-F46 HydrophobicContact CD2-CE2 4.39Å; L42-F46 WeakPolarHBondContact O-CD2 3.39Å; L42-F46 PolarHBondContact O-N 2.9Å |
| 43 | R | 97.6 | Very high | 97.1 | Very high | 50 Ų | 50 | 87.5 Ų | 87.5 | 19% | 0.189 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -55.5 | -47.7 | 176.2 | -73.1 | -168.9 | -60.3 | -135.5 | -1.5 | 111.5 | F39 R40 R45 F46 G47 I48 D50 Y53 | F39-R43 WeakPolarHBondContact O-CG 3.19Å; F39-R43 PolarHBondContact O-N 3.16Å; R40-R43 PolarHBondContact O-N 3.08Å; R43-R45 VanDerWaalsContact C-N 3.34Å; R43-R45 PolarHBondContact O-N 2.89Å; R43-F46 CarbonylContact O-C 3.53Å; R43-F46 PolarHBondContact O-N 2.9Å; R43-F46 VanDerWaalsContact O-N 3.08Å; R43-G47 PolarHBondContact O-N 3.15Å; R43-G47 VanDerWaalsContact O-N 3.16Å; R43-I48 CarbonylContact C-O 3.6Å; R43-I48 HydrophobicContact CB-CB 4.21Å; R43-I48 PolarHBondContact O-N 2.88Å; R43-D50 IonicContact CZ-OD1 3.53Å; R43-D50 IonicContact NE-OD1 3.79Å; R43-D50 PolarHBondContact NE-OD1 3.11Å; R43-D50 VanDerWaalsContact NH2-CG 3.3Å; R43-D50 IonicContact NH2-OD1 3.76Å; R43-D50 PolarHBondContact NH2-OD1 3.23Å; R43-D50 IonicContact NH2-OD2 2.75Å; R43-D50 PolarHBondContact NH2-OD2 3.45Å; R43-Y53 VanDerWaalsContact NH1-CE1 3.3Å |
| 44 | E | 96.6 | Very high | 97.1 | Very high | 137 Ų | 137 | 89.5 Ų | 89.5 | 64% | 0.64 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -56 | -45.9 | 175.3 | -175.3 | -173.9 | -174.6 | 0 | 0 | 112.1 | R40 N41 L42 F46 G47 | R40-E44 PolarHBondContact O-N 2.8Å; R40-E44 VanDerWaalsContact O-N 3.13Å; N41-E44 PolarHBondContact ND2-OE2 2.98Å; N41-E44 VanDerWaalsContact ND2-OE2 3.15Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-E44 PolarHBondContact O-N 3.04Å; E44-F46 VanDerWaalsContact C-N 3.28Å; E44-F46 PolarHBondContact O-N 3.45Å; E44-G47 PolarHBondContact O-N 3.12Å |
| 45 | R | 97.1 | Very high | 97 | Very high | 187 Ų | 187 | 86.6 Ų | 86.6 | 71% | 0.706 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.5 | -28.9 | 177.5 | -71.5 | 172.9 | -171.3 | -120.4 | 2.1 | 113.7 | N41 L42 R43 G47 | N41-R45 VanDerWaalsContact O-CG 3.29Å; N41-R45 WeakPolarHBondContact O-CG 3.22Å; N41-R45 PolarHBondContact O-N 3.28Å; N41-R45 VanDerWaalsContact O-N 3.1Å; N41-R45 PolarHBondContact OD1-NE 3.13Å; N41-R45 PolarHBondContact OD1-NH2 3.44Å; L42-R45 PolarHBondContact O-N 3.45Å; L42-R45 VanDerWaalsContact O-N 3.13Å; R43-R45 VanDerWaalsContact C-N 3.34Å; R43-R45 PolarHBondContact O-N 2.89Å; R45-G47 VanDerWaalsContact C-N 3.25Å |
| 46 | F | 97.8 | Very high | 97 | Very high | 153 Ų | 153 | 90 Ų | 90 | 67% | 0.671 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 1.7 | 173.4 | -71.1 | -62.2 | 0 | 0 | 0 | 113 | L42 R43 E44 I48 | L42-F46 HydrophobicContact CB-CD2 4.47Å; L42-F46 HydrophobicContact CB-CE2 4.38Å; L42-F46 HydrophobicContact CD2-CE2 4.39Å; L42-F46 WeakPolarHBondContact O-CD2 3.39Å; L42-F46 PolarHBondContact O-N 2.9Å; R43-F46 CarbonylContact O-C 3.53Å; R43-F46 PolarHBondContact O-N 2.9Å; R43-F46 VanDerWaalsContact O-N 3.08Å; E44-F46 VanDerWaalsContact C-N 3.28Å; E44-F46 PolarHBondContact O-N 3.45Å; F46-I48 VanDerWaalsContact C-N 3.26Å; F46-I48 HydrophobicContact CB-CD1 4.02Å; F46-I48 HydrophobicContact CB-CG1 4.1Å; F46-I48 PolarHBondContact O-N 2.93Å |
| 47 | G | 96.6 | Very high | 96.8 | Very high | 71 Ų | 71 | 92 Ų | 92 | 73% | 0.732 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 24.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R43 E44 R45 | R43-G47 PolarHBondContact O-N 3.15Å; R43-G47 VanDerWaalsContact O-N 3.16Å; E44-G47 PolarHBondContact O-N 3.12Å; R45-G47 VanDerWaalsContact C-N 3.25Å |
| 48 | I | 97.9 | Very high | 96.8 | Very high | 76 Ų | 76 | 92.9 Ų | 92.9 | 39% | 0.39 | 47% | 0.468 | S | S | . | . | trans | -97.7 | 116.9 | 178.1 | -59.7 | 173.4 | 0 | 0 | 0 | 108.1 | R43 F46 Y53 | R43-I48 CarbonylContact C-O 3.6Å; R43-I48 HydrophobicContact CB-CB 4.21Å; R43-I48 PolarHBondContact O-N 2.88Å; F46-I48 VanDerWaalsContact C-N 3.26Å; F46-I48 HydrophobicContact CB-CD1 4.02Å; F46-I48 HydrophobicContact CB-CG1 4.1Å; F46-I48 PolarHBondContact O-N 2.93Å; I48-Y53 HydrophobicContact CG2-CD2 4.3Å; I48-Y53 HydrophobicContact CG2-CG 4.48Å | ||
| 49 | D | 97.2 | Very high | 96.6 | Very high | 84 Ų | 84 | 102.8 Ų | 102.8 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | trans | -70 | 143.4 | 172.3 | 178 | -95.9 | 0 | 0 | 0 | 111.4 | Q51 D52 Y53 | D49-Q51 VanDerWaalsContact C-N 3.34Å; D49-Q51 PolarHBondContact O-N 3.21Å; D49-Q51 WeakPolarHBondContact OD1-CA 3.37Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.36Å; D49-Q51 PolarHBondContact OD1-N 2.92Å; D49-D52 HydrophobicContact CB-CB 4.13Å; D49-D52 PolarHBondContact O-N 3.23Å; D49-D52 PolarHBondContact OD1-N 2.92Å; D49-D52 VanDerWaalsContact OD1-N 3.12Å; D49-Y53 WeakPolarHBondContact O-CB 3.28Å; D49-Y53 PolarHBondContact O-N 3.36Å | ||
| 50 | D | 95.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 101.5 Ų | 101.5 | 32% | 0.316 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -36.5 | -176.8 | -85.7 | -5.5 | 0 | 0 | 0 | 112.1 | R40 R43 Q54 | R40-D50 WeakPolarHBondContact CD-OD2 3.47Å; R40-D50 WeakPolarHBondContact CG-OD2 3.36Å; R43-D50 IonicContact CZ-OD1 3.53Å; R43-D50 IonicContact NE-OD1 3.79Å; R43-D50 PolarHBondContact NE-OD1 3.11Å; R43-D50 VanDerWaalsContact NH2-CG 3.3Å; R43-D50 IonicContact NH2-OD1 3.76Å; R43-D50 PolarHBondContact NH2-OD1 3.23Å; R43-D50 IonicContact NH2-OD2 2.75Å; R43-D50 PolarHBondContact NH2-OD2 3.45Å; D50-Q54 WeakPolarHBondContact O-CB 3.5Å; D50-Q54 PolarHBondContact O-N 3.37Å |
| 51 | Q | 96.4 | Very high | 96.3 | Very high | 133 Ų | 133 | 100 Ų | 100 | 62% | 0.621 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -74 | -40.9 | 179 | -169.1 | 169.5 | 28.8 | 0 | 0 | 111 | D49 Q54 N55 | D49-Q51 VanDerWaalsContact C-N 3.34Å; D49-Q51 PolarHBondContact O-N 3.21Å; D49-Q51 WeakPolarHBondContact OD1-CA 3.37Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.36Å; D49-Q51 PolarHBondContact OD1-N 2.92Å; Q51-Q54 PolarHBondContact O-N 2.8Å; Q51-N55 WeakPolarHBondContact O-CB 3.41Å; Q51-N55 VanDerWaalsContact O-CG 3.26Å; Q51-N55 PolarHBondContact O-N 3.35Å; Q51-N55 PolarHBondContact O-ND2 2.73Å |
| 52 | D | 96.2 | Very high | 96 | Very high | 99 Ų | 99 | 103.4 Ų | 103.4 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 174 | -75.2 | -19.8 | 0 | 0 | 0 | 111.8 | D49 N55 S56 | D49-D52 HydrophobicContact CB-CB 4.13Å; D49-D52 PolarHBondContact O-N 3.23Å; D49-D52 PolarHBondContact OD1-N 2.92Å; D49-D52 VanDerWaalsContact OD1-N 3.12Å; D52-N55 PolarHBondContact O-N 3.29Å; D52-S56 VanDerWaalsContact O-CB 3.28Å; D52-S56 WeakPolarHBondContact O-CB 3.25Å; D52-S56 PolarHBondContact O-N 3.45Å; D52-S56 PolarHBondContact O-OG 2.71Å |
| 53 | Y | 97 | Very high | 95.8 | Very high | 104 Ų | 104 | 108.3 Ų | 108.3 | 41% | 0.408 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.3 | -50.8 | 173.8 | 178.9 | -102.1 | 0 | 0 | 0 | 111 | R43 I48 D49 N55 S56 V57 | R43-Y53 VanDerWaalsContact NH1-CE1 3.3Å; I48-Y53 HydrophobicContact CG2-CD2 4.3Å; I48-Y53 HydrophobicContact CG2-CG 4.48Å; D49-Y53 WeakPolarHBondContact O-CB 3.28Å; D49-Y53 PolarHBondContact O-N 3.36Å; Y53-N55 PolarHBondContact O-N 2.88Å; Y53-S56 PolarHBondContact O-N 2.87Å; Y53-V57 HydrophobicContact CD2-CG1 4.43Å; Y53-V57 HydrophobicContact CE1-CG2 4.39Å; Y53-V57 HydrophobicContact CE2-CG1 4.05Å; Y53-V57 WeakPolarHBondContact O-CG2 3.28Å; Y53-V57 PolarHBondContact O-N 3.01Å; Y53-V57 VanDerWaalsContact O-N 3.11Å |
| 54 | Q | 96.7 | Very high | 95.2 | Very high | 115 Ų | 115 | 113 Ų | 113 | 54% | 0.537 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -56.5 | -51.2 | 178.3 | -179.5 | -177.9 | -23.4 | 0 | 0 | 111 | D50 Q51 S56 V57 T58 | D50-Q54 WeakPolarHBondContact O-CB 3.5Å; D50-Q54 PolarHBondContact O-N 3.37Å; Q51-Q54 PolarHBondContact O-N 2.8Å; Q54-S56 VanDerWaalsContact C-N 3.3Å; Q54-S56 PolarHBondContact O-N 3.3Å; Q54-V57 WeakPolarHBondContact O-CG2 2.94Å; Q54-V57 PolarHBondContact O-N 3.12Å; Q54-T58 PolarHBondContact O-N 3.4Å; Q54-T58 PolarHBondContact O-OG1 2.97Å |
| 55 | N | 97 | Very high | 94.6 | Very high | 71 Ų | 71 | 110.6 Ų | 110.6 | 38% | 0.38 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.2 | -41.7 | 179.6 | -72.7 | -29.8 | 0 | 0 | 0 | 111.7 | Q51 D52 Y53 V57 R59 | Q51-N55 WeakPolarHBondContact O-CB 3.41Å; Q51-N55 VanDerWaalsContact O-CG 3.26Å; Q51-N55 PolarHBondContact O-N 3.35Å; Q51-N55 PolarHBondContact O-ND2 2.73Å; D52-N55 PolarHBondContact O-N 3.29Å; Y53-N55 PolarHBondContact O-N 2.88Å; N55-V57 VanDerWaalsContact C-N 3.28Å; N55-V57 PolarHBondContact O-N 3.21Å; N55-R59 WeakPolarHBondContact O-CB 3.43Å; N55-R59 PolarHBondContact O-N 2.8Å |
| 56 | S | 95.6 | Very high | 93.8 | Very high | 94 Ų | 94 | 109.5 Ų | 109.5 | 66% | 0.657 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.4 | -32.4 | -179.3 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | D52 Y53 Q54 | D52-S56 VanDerWaalsContact O-CB 3.28Å; D52-S56 WeakPolarHBondContact O-CB 3.25Å; D52-S56 PolarHBondContact O-N 3.45Å; D52-S56 PolarHBondContact O-OG 2.71Å; Y53-S56 PolarHBondContact O-N 2.87Å; Q54-S56 VanDerWaalsContact C-N 3.3Å; Q54-S56 PolarHBondContact O-N 3.3Å |
| 57 | V | 94.9 | Very high | 92.8 | Very high | 75 Ų | 75 | 106 Ų | 106 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -97.4 | -17.7 | -177.3 | -55.8 | 0 | 0 | 0 | 0 | 114.4 | Y53 Q54 N55 | Y53-V57 HydrophobicContact CD2-CG1 4.43Å; Y53-V57 HydrophobicContact CE1-CG2 4.39Å; Y53-V57 HydrophobicContact CE2-CG1 4.05Å; Y53-V57 WeakPolarHBondContact O-CG2 3.28Å; Y53-V57 PolarHBondContact O-N 3.01Å; Y53-V57 VanDerWaalsContact O-N 3.11Å; Q54-V57 WeakPolarHBondContact O-CG2 2.94Å; Q54-V57 PolarHBondContact O-N 3.12Å; N55-V57 VanDerWaalsContact C-N 3.28Å; N55-V57 PolarHBondContact O-N 3.21Å |
| 58 | T | 95.2 | Very high | 91.1 | Very high | 95 Ų | 95 | 112 Ų | 112 | 58% | 0.583 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -117 | -13.9 | -177.5 | 69 | 0 | 0 | 0 | 0 | 115.1 | Q54 S60 | Q54-T58 PolarHBondContact O-N 3.4Å; Q54-T58 PolarHBondContact O-OG1 2.97Å; T58-S60 VanDerWaalsContact C-N 3.27Å; T58-S60 PolarHBondContact O-N 3.47Å |
| 59 | R | 95.5 | Very high | 89.2 | Confident | 221 Ų | 221 | 111 Ų | 111 | 83% | 0.834 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -67.9 | -28.5 | -178.6 | -176.2 | 176.3 | -176.4 | 176 | 2.1 | 112.8 | N55 | N55-R59 WeakPolarHBondContact O-CB 3.43Å; N55-R59 PolarHBondContact O-N 2.8Å |
| 60 | S | 94.4 | Very high | 87 | Confident | 85 Ų | 85 | 119 Ų | 119 | 59% | 0.594 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -146.2 | 156.3 | 174.4 | 55 | 0 | 0 | 0 | 0 | 110.6 | T58 | T58-S60 VanDerWaalsContact C-N 3.27Å; T58-S60 PolarHBondContact O-N 3.47Å |
| 61 | A | 92.9 | Very high | 84.5 | Confident | 86 Ų | 86 | 125.9 Ų | 125.9 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 138.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 62 | P | 91.2 | Very high | 83.9 | Confident | 110 Ų | 110 | 125.5 Ų | 125.5 | 71% | 0.714 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 147.2 | 176.3 | 26.7 | -33.5 | 0 | 0 | 0 | 110.9 | ||
| 63 | I | 91.6 | Very high | 83.3 | Confident | 169 Ų | 169 | 126.9 Ų | 126.9 | 87% | 0.867 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -88 | 122.7 | 175.3 | -56.6 | 174 | 0 | 0 | 0 | 107.6 | S65 | I63-S65 PolarHBondContact O-N 3.11Š|
| 64 | N | 86.6 | Confident | 82.5 | Confident | 150 Ų | 150 | 128.2 Ų | 128.2 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 129.7 | 173.9 | -64.6 | -52.1 | 0 | 0 | 0 | 109.4 | ||
| 65 | S | 83.8 | Confident | 81.7 | Confident | 86 Ų | 86 | 128.9 Ų | 128.9 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 132.4 | 171.6 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | I63 S67 | I63-S65 PolarHBondContact O-N 3.11Å; S65-S67 PolarHBondContact O-N 3.22Å; S65-S67 PolarHBondContact OG-N 3.42Å; S65-S67 PolarHBondContact OG-OG 3.32Å |
| 66 | D | 80.3 | Confident | 80.7 | Confident | 164 Ų | 164 | 132.6 Ų | 132.6 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | -73 | -1 | 174.2 | -64.4 | -34.3 | 0 | 0 | 0 | 113 | Q68 | D66-Q68 PolarHBondContact O-N 2.83Š| ||
| 67 | S | 76.8 | Confident | 79.7 | Confident | 79 Ų | 79 | 135.1 Ų | 135.1 | 55% | 0.552 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -59.9 | 124 | 171.3 | 56.4 | 0 | 0 | 0 | 0 | 108.8 | S65 G69 | S65-S67 PolarHBondContact O-N 3.22Å; S65-S67 PolarHBondContact OG-N 3.42Å; S65-S67 PolarHBondContact OG-OG 3.32Å; S67-G69 PolarHBondContact O-N 3.21Å |
| 68 | Q | 61.3 | Low | 78.7 | Confident | 198 Ų | 198 | 139.4 Ų | 139.4 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | trans | -69.2 | 35.5 | 178.1 | -67.4 | -178 | -5 | 0 | 0 | 112.8 | D66 R70 | D66-Q68 PolarHBondContact O-N 2.83Å; Q68-R70 PolarHBondContact O-N 3.43Å | ||
| 69 | G | 57.7 | Low | 77.4 | Confident | 53 Ų | 53 | 142.8 Ų | 142.8 | 55% | 0.546 | 80% | 0.796 | S | S | . | * | trans | -77.7 | 103.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | S67 C71 | S67-G69 PolarHBondContact O-N 3.21Å; G69-C71 PolarHBondContact O-N 3.38Å | ||
| 70 | R | 49.5 | Very low | 75.9 | Confident | 252 Ų | 252 | 136.3 Ų | 136.3 | 95% | 0.951 | 79% | 0.793 | S | S | * | * | trans | -38.8 | 109.3 | 172.8 | -67 | 175.1 | 173.5 | 177.1 | -2.5 | 111.4 | Q68 | Q68-R70 PolarHBondContact O-N 3.43Š| ||
| 71 | C | 44.5 | Very low | 74.2 | Confident | 204 Ų | 204 | 141 Ų | 141 | 100% | 1.378 | 81% | 0.811 | S | S | * | * | trans | -115.2 | 0 | 155.6 | -71.4 | 0 | 0 | 0 | 0 | 107.4 | G69 | G69-C71 PolarHBondContact O-N 3.38Š|
Retrieved 71 of 71 residues in 74.3 ms
(Link to these results)