| 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 | 32 | Very low | 55.9 | Low | 218 Ų | 218 | 117.2 Ų | 117.2 | 100% | 1.074 | 65% | 0.65 | S | S | * | * | 0 | 90.6 | 0 | -76.6 | -81.8 | -115.4 | 0 | 0 | 108.3 | F3 | M1-F3 HydrophobicContact SD-CE2 4.35Š| |||
| 2 | S | 34 | Very low | 59.3 | Low | 134 Ų | 134 | 108.1 Ų | 108.1 | 94% | 0.937 | 60% | 0.6 | S | S | * | * | trans | -96.7 | 104.1 | 168.1 | -81.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 3 | F | 37.9 | Very low | 62.3 | Low | 169 Ų | 169 | 106.5 Ų | 106.5 | 74% | 0.741 | 59% | 0.585 | S | S | * | * | trans | -97.8 | 137.5 | 172.9 | -107 | -101.7 | 0 | 0 | 0 | 108.9 | M1 | M1-F3 HydrophobicContact SD-CE2 4.35Š| ||
| 4 | F | 39.7 | Very low | 64.9 | Low | 185 Ų | 185 | 99.8 Ų | 99.8 | 81% | 0.811 | 55% | 0.548 | S | S | * | . | trans | 92 | 97.8 | -177.9 | -71.4 | -87.8 | 0 | 0 | 0 | 117.5 | F6 | F4-F6 PolarHBondContact O-N 3.1Å; F4-F6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | G | 36.3 | Very low | 67.1 | Low | 83 Ų | 83 | 98.2 Ų | 98.2 | 86% | 0.856 | 54% | 0.538 | S | S | * | . | trans | -80.6 | 77.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 6 | F | 45.9 | Very low | 69.1 | Low | 187 Ų | 187 | 92.6 Ų | 92.6 | 82% | 0.82 | 51% | 0.507 | S | S | * | . | trans | -98.7 | 92.3 | 150.2 | -81 | -86 | 0 | 0 | 0 | 107.6 | F4 | F4-F6 PolarHBondContact O-N 3.1Å; F4-F6 VanDerWaalsContact O-N 3.15Å | ||
| 7 | G | 56.3 | Low | 70.7 | Confident | 62 Ų | 62 | 92 Ų | 92 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | trans | -55.5 | 145.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S9 | G7-S9 PolarHBondContact O-N 3.39Å; G7-S9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | Q | 64.1 | Low | 71.9 | Confident | 111 Ų | 111 | 90.7 Ų | 90.7 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | trans | -45.7 | 122.9 | 175.3 | -79.8 | 178.8 | -17.9 | 0 | 0 | 109.7 | V10 K55 | Q8-V10 PolarHBondContact O-N 3.29Å; Q8-K55 WeakPolarHBondContact O-CD 3.12Å; Q8-K55 VanDerWaalsContact O-CE 3.22Å; Q8-K55 WeakPolarHBondContact O-CE 3.5Å; Q8-K55 PolarHBondContact O-NZ 3.16Å | ||
| 9 | S | 82.2 | Confident | 73 | Confident | 42 Ų | 42 | 88 Ų | 88 | 29% | 0.294 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -71.6 | -13.6 | -174.9 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | G7 K55 | G7-S9 PolarHBondContact O-N 3.39Å; G7-S9 VanDerWaalsContact O-N 3.12Å; S9-K55 PolarHBondContact O-N 2.98Å; S9-K55 VanDerWaalsContact O-N 3.08Å |
| 10 | V | 91.8 | Very high | 73.9 | Confident | 0 Ų | 0 | 93.7 Ų | 93.7 | 0% | 0 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 140 | -178.8 | 63.8 | 0 | 0 | 0 | 0 | 108.8 | Q8 V12 L52 A53 L54 L61 I134 V141 | Q8-V10 PolarHBondContact O-N 3.29Å; V10-V12 HydrophobicContact CG1-CG2 4.44Å; V10-V12 HydrophobicContact CG2-CG2 4.48Å; V10-L52 HydrophobicContact CG2-CB 3.99Å; V10-L52 HydrophobicContact CG2-CD2 4.41Å; V10-L52 HydrophobicContact CG2-CG 4.26Å; V10-A53 CarbonylContact C-O 3.51Å; V10-A53 WeakPolarHBondContact CA-O 3.47Å; V10-L54 HydrophobicContact CB-CD2 4.36Å; V10-L54 HydrophobicContact CG2-CD2 4.3Å; V10-L61 HydrophobicContact CB-CD2 3.92Å; V10-L61 HydrophobicContact CG1-CD2 3.86Å; V10-L61 HydrophobicContact CG2-CD2 4.12Å; V10-I134 HydrophobicContact CG1-CD1 3.92Å; V10-I134 HydrophobicContact CG2-CD1 4.38Å; V10-V141 HydrophobicContact CG1-CB 4.5Å; V10-V141 HydrophobicContact CG1-CG1 4.22Å; V10-V141 HydrophobicContact CG1-CG2 4.12Å |
| 11 | E | 94.4 | Very high | 74.9 | Confident | 98 Ų | 98 | 93.9 Ų | 93.9 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 132.7 | 168.7 | 176.2 | 166.6 | -152.4 | 0 | 0 | 108.5 | L52 A53 | E11-L52 WeakPolarHBondContact O-CA 3.39Å; E11-A53 HydrophobicContact CB-CB 4.28Å; E11-A53 PolarHBondContact N-O 2.84Å; E11-A53 PolarHBondContact O-N 2.75Å |
| 12 | V | 97.3 | Very high | 77.9 | Confident | 8 Ų | 8 | 85.5 Ų | 85.5 | 5% | 0.048 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.8 | -176.1 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | V10 V50 S51 A132 I134 V141 K143 | V10-V12 HydrophobicContact CG1-CG2 4.44Å; V10-V12 HydrophobicContact CG2-CG2 4.48Å; V12-V50 HydrophobicContact CG1-CG1 3.83Å; V12-S51 WeakPolarHBondContact CA-O 3.39Å; V12-A132 HydrophobicContact CG1-CB 3.92Å; V12-I134 HydrophobicContact CG2-CD1 3.57Å; V12-I134 HydrophobicContact CG2-CG1 4.45Å; V12-V141 HydrophobicContact CG2-CG1 3.92Å; V12-K143 HydrophobicContact CB-CB 3.97Å; V12-K143 HydrophobicContact CB-CG 4.49Å; V12-K143 HydrophobicContact CG1-CB 3.86Å; V12-K143 HydrophobicContact CG1-CG 4.4Å; V12-K143 WeakPolarHBondContact O-CD 3.46Å; V12-K143 WeakPolarHBondContact O-CE 3.36Å; V12-K143 WeakPolarHBondContact O-CG 3.46Å |
| 13 | E | 97.9 | Very high | 80.8 | Confident | 88 Ų | 88 | 84.3 Ų | 84.3 | 41% | 0.411 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.9 | 175 | -64.4 | -171.1 | 155.1 | 0 | 0 | 110.7 | L15 V50 S51 | E13-L15 HydrophobicContact CB-CG 4.5Å; E13-V50 CarbonylContact O-C 3.55Å; E13-V50 WeakPolarHBondContact O-CA 3.45Å; E13-S51 PolarHBondContact N-O 2.83Å; E13-S51 PolarHBondContact O-N 2.98Å |
| 14 | I | 98.6 | Very high | 83.6 | Confident | 12 Ų | 12 | 83.3 Ų | 83.3 | 6% | 0.062 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.4 | 173.8 | -53.7 | 178.1 | 0 | 0 | 0 | 106.6 | I68 F107 L130 A132 K143 M145 | I14-I68 HydrophobicContact CD1-CD1 3.97Å; I14-F107 HydrophobicContact CG2-CE1 4.09Å; I14-F107 HydrophobicContact CG2-CZ 4.1Å; I14-L130 HydrophobicContact CD1-CB 3.94Å; I14-L130 WeakPolarHBondContact CD1-O 3.35Å; I14-L130 HydrophobicContact CG2-CB 4.21Å; I14-L130 HydrophobicContact CG2-CD1 3.89Å; I14-A132 HydrophobicContact CD1-CB 3.93Å; I14-A132 HydrophobicContact CG1-CB 4.04Å; I14-K143 HydrophobicContact CD1-CG 4.47Å; I14-K143 HydrophobicContact CG1-CG 4.37Å; I14-M145 HydrophobicContact CB-CB 4.33Å; I14-M145 HydrophobicContact CB-CE 4.11Å; I14-M145 HydrophobicContact CB-SD 4.27Å; I14-M145 HydrophobicContact CD1-CB 4.13Å; I14-M145 HydrophobicContact CG2-CE 3.59Å; I14-M145 HydrophobicContact CG2-SD 4.4Å |
| 15 | L | 98.1 | Very high | 86.3 | Confident | 76 Ų | 76 | 75 Ų | 75 | 40% | 0.398 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 118 | -175.4 | -58.9 | 174.3 | 0 | 0 | 0 | 109.1 | E13 G48 K49 | E13-L15 HydrophobicContact CB-CG 4.5Å; L15-G48 CarbonylContact O-C 3.58Å; L15-G48 WeakPolarHBondContact O-CA 3.32Å; L15-K49 PolarHBondContact N-O 3.28Å; L15-K49 PolarHBondContact O-N 2.91Å |
| 16 | L | 98.4 | Very high | 89.2 | Confident | 9 Ų | 9 | 76.8 Ų | 76.8 | 5% | 0.047 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 144.1 | 174.9 | -61.6 | 178.7 | 0 | 0 | 0 | 110.5 | D18 A19 F38 F40 V46 F107 L130 M145 | L16-D18 VanDerWaalsContact C-N 3.25Å; L16-D18 PolarHBondContact O-N 2.95Å; L16-A19 HydrophobicContact CB-CB 4.39Å; L16-A19 WeakPolarHBondContact O-CB 3.43Å; L16-A19 PolarHBondContact O-N 3.23Å; L16-F38 HydrophobicContact CD1-CB 3.97Å; L16-F38 HydrophobicContact CD1-CD1 4.24Å; L16-F38 HydrophobicContact CD1-CD2 3.5Å; L16-F38 VanDerWaalsContact CD1-CD2 3.5Å; L16-F38 HydrophobicContact CD1-CE2 3.99Å; L16-F38 HydrophobicContact CD1-CG 3.63Å; L16-F38 HydrophobicContact CG-CD2 4.45Å; L16-F40 HydrophobicContact CD1-CE2 3.93Å; L16-F40 HydrophobicContact CD1-CZ 3.9Å; L16-V46 HydrophobicContact CD2-CG1 4.36Å; L16-F107 HydrophobicContact CD2-CZ 4.4Å; L16-L130 HydrophobicContact CD2-CD1 3.77Å; L16-M145 HydrophobicContact CD1-CE 4.16Å; L16-M145 HydrophobicContact CD2-CE 3.86Å; L16-M145 HydrophobicContact CG-CE 3.76Å |
| 17 | N | 96.9 | Very high | 91.6 | Very high | 82 Ų | 82 | 69.8 Ų | 69.8 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -37 | 179.8 | -74.6 | -25.3 | 0 | 0 | 0 | 112.7 | S47 | N17-S47 PolarHBondContact N-O 3.48Å; N17-S47 VanDerWaalsContact N-O 3.15Å; N17-S47 PolarHBondContact ND2-OG 2.92Å; N17-S47 VanDerWaalsContact ND2-OG 3.16Å |
| 18 | D | 92.6 | Very high | 93.5 | Very high | 68 Ų | 68 | 71.6 Ų | 71.6 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 25.6 | -177.6 | -51.1 | -50.1 | 0 | 0 | 0 | 113 | L16 E20 S21 R22 | L16-D18 VanDerWaalsContact C-N 3.25Å; L16-D18 PolarHBondContact O-N 2.95Å; D18-E20 PolarHBondContact O-N 3.19Å; D18-E20 VanDerWaalsContact O-N 3.09Å; D18-S21 PolarHBondContact O-N 2.93Å; D18-S21 VanDerWaalsContact O-N 3.11Å; D18-S21 PolarHBondContact O-OG 3.3Å; D18-R22 HydrophobicContact CB-CB 4.29Å; D18-R22 WeakPolarHBondContact O-CB 3.31Å; D18-R22 PolarHBondContact O-N 3.17Å; D18-R22 IonicContact OD2-CZ 2.8Å; D18-R22 IonicContact OD2-NH1 3.83Å; D18-R22 IonicContact OD2-NH2 2.77Å; D18-R22 PolarHBondContact OD2-NH2 3.45Å |
| 19 | A | 92.3 | Very high | 94.8 | Very high | 40 Ų | 40 | 67.4 Ų | 67.4 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L16 F38 | L16-A19 HydrophobicContact CB-CB 4.39Å; L16-A19 WeakPolarHBondContact O-CB 3.43Å; L16-A19 PolarHBondContact O-N 3.23Å; A19-F38 HydrophobicContact CB-CE1 4.19Å; A19-F38 HydrophobicContact CB-CZ 3.88Å; A19-F38 VanDerWaalsContact O-CE1 3.31Å; A19-F38 WeakPolarHBondContact O-CE1 3.48Å |
| 20 | E | 91.6 | Very high | 95.3 | Very high | 202 Ų | 202 | 70 Ų | 70 | 94% | 0.944 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -29.8 | -179.3 | -62.2 | -173 | 168.3 | 0 | 0 | 113.7 | D18 | D18-E20 PolarHBondContact O-N 3.19Å; D18-E20 VanDerWaalsContact O-N 3.09Å |
| 21 | S | 93.9 | Very high | 95.2 | Very high | 97 Ų | 97 | 74.5 Ų | 74.5 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -22.7 | -174.4 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | D18 | D18-S21 PolarHBondContact O-N 2.93Å; D18-S21 VanDerWaalsContact O-N 3.11Å; D18-S21 PolarHBondContact O-OG 3.3Å |
| 22 | R | 94.9 | Very high | 95 | Very high | 43 Ų | 43 | 71.7 Ų | 71.7 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -67.7 | 134.7 | -177.8 | -179.6 | 161.8 | -76.9 | 126.5 | 9.8 | 110.8 | D18 F38 | D18-R22 HydrophobicContact CB-CB 4.29Å; D18-R22 WeakPolarHBondContact O-CB 3.31Å; D18-R22 PolarHBondContact O-N 3.17Å; D18-R22 IonicContact OD2-CZ 2.8Å; D18-R22 IonicContact OD2-NH1 3.83Å; D18-R22 IonicContact OD2-NH2 2.77Å; D18-R22 PolarHBondContact OD2-NH2 3.45Å; R22-F38 HydrophobicContact CB-CD1 4.28Å; R22-F38 HydrophobicContact CG-CD1 4.23Å |
| 23 | K | 96.3 | Very high | 94.8 | Very high | 108 Ų | 108 | 77.2 Ų | 77.2 | 47% | 0.47 | 39% | 0.389 | S | S | . | . | trans | -56.9 | 144.3 | 174.9 | -71.1 | -173.5 | 175.8 | -176.6 | 0 | 110.4 | L39 D297 | K23-L39 HydrophobicContact CB-CB 4.37Å; K23-L39 HydrophobicContact CB-CD2 4.39Å; K23-L39 WeakPolarHBondContact O-CB 3.17Å; K23-L39 PolarHBondContact O-N 2.88Å; K23-D297 IonicContact NZ-OD2 3.72Å; K23-D297 PolarHBondContact NZ-OD2 2.87Å | ||
| 24 | R | 96.8 | Very high | 94.6 | Very high | 148 Ų | 148 | 77.8 Ų | 77.8 | 56% | 0.558 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 140.9 | 171.3 | -60.9 | -179.1 | 77.7 | 168.3 | 5 | 109.9 | K36 Y37 F38 | R24-K36 HydrophobicContact CB-CB 4.37Å; R24-K36 PolarHBondContact NE-O 2.87Å; R24-K36 PolarHBondContact NH2-O 2.99Å; R24-Y37 CarbonylContact C-O 3.59Å; R24-Y37 WeakPolarHBondContact CA-O 3.39Å; R24-Y37 WeakPolarHBondContact CB-O 3.13Å; R24-F38 HydrophobicContact CG-CD1 4.17Å; R24-F38 HydrophobicContact CG-CE1 4.42Å |
| 25 | A | 96.3 | Very high | 94.5 | Very high | 10 Ų | 10 | 81.5 Ų | 81.5 | 8% | 0.083 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 141.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K36 Y37 L39 V148 | A25-K36 WeakPolarHBondContact O-CA 3.5Å; A25-Y37 PolarHBondContact N-O 3.47Å; A25-Y37 PolarHBondContact O-N 3.43Å; A25-L39 HydrophobicContact CB-CB 4.12Å; A25-L39 HydrophobicContact CB-CD1 4.08Å; A25-L39 HydrophobicContact CB-CD2 4.36Å; A25-L39 HydrophobicContact CB-CG 4.42Å; A25-V148 HydrophobicContact CB-CB 4.45Å; A25-V148 HydrophobicContact CB-CG1 4.08Å |
| 26 | E | 96.6 | Very high | 94.5 | Very high | 121 Ų | 121 | 84.5 Ų | 84.5 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 130.7 | 168.9 | -172.8 | 174.5 | -157.6 | 0 | 0 | 108.8 | K34 E35 | E26-K34 HydrophobicContact CG-CB 3.77Å; E26-K34 HydrophobicContact CG-CD 4.09Å; E26-K34 HydrophobicContact CG-CG 4.36Å; E26-K34 WeakPolarHBondContact OE1-CB 3.25Å; E26-K34 WeakPolarHBondContact OE1-CD 3.41Å; E26-E35 CarbonylContact C-O 3.56Å; E26-E35 WeakPolarHBondContact CA-O 3.49Å |
| 27 | H | 96.8 | Very high | 94.4 | Very high | 40 Ų | 40 | 85.6 Ų | 85.6 | 19% | 0.185 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 140.3 | -180 | -169.3 | 73.1 | 0 | 0 | 0 | 110 | E35 Y37 T120 V148 | H27-E35 PolarHBondContact N-O 2.75Å; H27-E35 PolarHBondContact O-N 2.95Å; H27-Y37 HydrophobicContact CB-CD2 3.75Å; H27-Y37 HydrophobicContact CB-CE2 3.92Å; H27-T120 PolarHBondContact NE2-OG1 2.81Å; H27-V148 HydrophobicContact CB-CG2 3.67Å |
| 28 | K | 94.9 | Very high | 94.5 | Very high | 100 Ų | 100 | 83.1 Ų | 83.1 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.4 | 179.1 | -170.5 | 176.4 | -178.8 | 174.6 | 0 | 109.9 | K33 T120 E254 | K28-K33 CarbonylContact C-O 3.55Å; K28-K33 VanDerWaalsContact CA-O 3.3Å; K28-K33 WeakPolarHBondContact CA-O 3.39Å; K28-T120 WeakPolarHBondContact O-CB 3.3Å; K28-T120 PolarHBondContact O-OG1 3.15Å; K28-E254 IonicContact NZ-OE2 2.81Å |
| 29 | T | 92.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 80.5 Ų | 80.5 | 15% | 0.147 | 39% | 0.392 | C | S | . | . | trans | -85.3 | 169.1 | 177.2 | 47.9 | 0 | 0 | 0 | 0 | 111.1 | D31 G32 K33 E35 Y37 | T29-D31 VanDerWaalsContact CB-OD1 3.31Å; T29-D31 WeakPolarHBondContact CB-OD1 3.34Å; T29-D31 PolarHBondContact O-N 2.9Å; T29-D31 PolarHBondContact OG1-OD1 2.73Å; T29-G32 WeakPolarHBondContact O-CA 3.44Å; T29-G32 PolarHBondContact O-N 2.94Å; T29-K33 PolarHBondContact N-O 2.87Å; T29-K33 PolarHBondContact OG1-N 3.16Å; T29-K33 PolarHBondContact OG1-O 2.88Å; T29-E35 HydrophobicContact CG2-CB 4.47Å; T29-E35 HydrophobicContact CG2-CG 4.34Å; T29-Y37 HydrophobicContact CG2-CE2 4.43Å; T29-Y37 WeakPolarHBondContact CG2-OH 3.44Å | ||
| 30 | E | 91.3 | Very high | 95.1 | Very high | 97 Ų | 97 | 78.6 Ų | 78.6 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -30.1 | -179.4 | -69.3 | 176.1 | -144.6 | 0 | 0 | 113.5 | G32 Y77 T120 K125 | E30-G32 PolarHBondContact O-N 3.13Å; E30-Y77 WeakPolarHBondContact CG-OH 3.48Å; E30-T120 HydrophobicContact CG-CG2 3.93Å; E30-K125 HydrophobicContact CG-CD 4.24Å; E30-K125 WeakPolarHBondContact OE1-CD 3.49Å; E30-K125 WeakPolarHBondContact OE1-CE 3.25Å; E30-K125 IonicContact OE1-NZ 3.8Å; E30-K125 PolarHBondContact OE1-NZ 3.06Å |
| 31 | D | 91.3 | Very high | 95.4 | Very high | 94 Ų | 94 | 71.4 Ų | 71.4 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 6.5 | 175.2 | 69.8 | -20.9 | 0 | 0 | 0 | 113 | T29 K33 | T29-D31 VanDerWaalsContact CB-OD1 3.31Å; T29-D31 WeakPolarHBondContact CB-OD1 3.34Å; T29-D31 PolarHBondContact O-N 2.9Å; T29-D31 PolarHBondContact OG1-OD1 2.73Å; D31-K33 VanDerWaalsContact C-N 3.26Å; D31-K33 PolarHBondContact O-N 2.93Å; D31-K33 PolarHBondContact OD1-N 2.89Å; D31-K33 VanDerWaalsContact OD2-CD 3.25Å; D31-K33 WeakPolarHBondContact OD2-CD 3.39Å; D31-K33 WeakPolarHBondContact OD2-CE 3.4Å; D31-K33 IonicContact OD2-NZ 3.14Å; D31-K33 PolarHBondContact OD2-NZ 2.93Å |
| 32 | G | 89.9 | Confident | 95.5 | Very high | 39 Ų | 39 | 71.4 Ų | 71.4 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 80.1 | -0.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T29 E30 | T29-G32 WeakPolarHBondContact O-CA 3.44Å; T29-G32 PolarHBondContact O-N 2.94Å; E30-G32 PolarHBondContact O-N 3.13Å |
| 33 | K | 93.4 | Very high | 95.5 | Very high | 124 Ų | 124 | 71.1 Ų | 71.1 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | trans | -75.1 | 161.3 | 175.5 | -63.9 | -177.1 | -166.9 | 132.2 | 0 | 111 | K28 T29 D31 | K28-K33 CarbonylContact C-O 3.55Å; K28-K33 VanDerWaalsContact CA-O 3.3Å; K28-K33 WeakPolarHBondContact CA-O 3.39Å; T29-K33 PolarHBondContact N-O 2.87Å; T29-K33 PolarHBondContact OG1-N 3.16Å; T29-K33 PolarHBondContact OG1-O 2.88Å; D31-K33 VanDerWaalsContact C-N 3.26Å; D31-K33 PolarHBondContact O-N 2.93Å; D31-K33 PolarHBondContact OD1-N 2.89Å; D31-K33 VanDerWaalsContact OD2-CD 3.25Å; D31-K33 WeakPolarHBondContact OD2-CD 3.39Å; D31-K33 WeakPolarHBondContact OD2-CE 3.4Å; D31-K33 IonicContact OD2-NZ 3.14Å; D31-K33 PolarHBondContact OD2-NZ 2.93Å | ||
| 34 | K | 93.8 | Very high | 95.6 | Very high | 100 Ų | 100 | 69.5 Ų | 69.5 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.1 | 173.6 | -65 | -173 | -175 | 176.3 | 0 | 109.5 | E26 E254 | E26-K34 HydrophobicContact CG-CB 3.77Å; E26-K34 HydrophobicContact CG-CD 4.09Å; E26-K34 HydrophobicContact CG-CG 4.36Å; E26-K34 WeakPolarHBondContact OE1-CB 3.25Å; E26-K34 WeakPolarHBondContact OE1-CD 3.41Å; K34-E254 WeakPolarHBondContact CE-OE1 3.47Å; K34-E254 IonicContact NZ-OE1 2.71Å; K34-E254 PolarHBondContact NZ-OE1 2.63Å |
| 35 | E | 96 | Very high | 95.7 | Very high | 90 Ų | 90 | 64.9 Ų | 64.9 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 159.4 | 179.8 | -67.6 | -172.4 | 175.3 | 0 | 0 | 110.6 | E26 H27 T29 Y37 | E26-E35 CarbonylContact C-O 3.56Å; E26-E35 WeakPolarHBondContact CA-O 3.49Å; H27-E35 PolarHBondContact N-O 2.75Å; H27-E35 PolarHBondContact O-N 2.95Å; T29-E35 HydrophobicContact CG2-CB 4.47Å; T29-E35 HydrophobicContact CG2-CG 4.34Å; E35-Y37 HydrophobicContact CB-CE2 3.66Å; E35-Y37 WeakPolarHBondContact CB-OH 3.49Å; E35-Y37 PolarHBondContact OE2-OH 3.23Å |
| 36 | K | 96.8 | Very high | 95.8 | Very high | 138 Ų | 138 | 64.4 Ų | 64.4 | 60% | 0.6 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.4 | -179 | -71.5 | -176.9 | 179.6 | 177.8 | 0 | 110.9 | R24 A25 | R24-K36 HydrophobicContact CB-CB 4.37Å; R24-K36 PolarHBondContact NE-O 2.87Å; R24-K36 PolarHBondContact NH2-O 2.99Å; A25-K36 WeakPolarHBondContact O-CA 3.5Å |
| 37 | Y | 98.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 13% | 0.125 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 160.1 | 177.5 | -56.6 | -84.2 | 0 | 0 | 0 | 110.9 | R24 A25 H27 T29 E35 L39 D146 V148 | R24-Y37 CarbonylContact C-O 3.59Å; R24-Y37 WeakPolarHBondContact CA-O 3.39Å; R24-Y37 WeakPolarHBondContact CB-O 3.13Å; A25-Y37 PolarHBondContact N-O 3.47Å; A25-Y37 PolarHBondContact O-N 3.43Å; H27-Y37 HydrophobicContact CB-CD2 3.75Å; H27-Y37 HydrophobicContact CB-CE2 3.92Å; T29-Y37 HydrophobicContact CG2-CE2 4.43Å; T29-Y37 WeakPolarHBondContact CG2-OH 3.44Å; E35-Y37 HydrophobicContact CB-CE2 3.66Å; E35-Y37 WeakPolarHBondContact CB-OH 3.49Å; E35-Y37 PolarHBondContact OE2-OH 3.23Å; Y37-L39 PolarHBondContact O-N 2.83Å; Y37-D146 HydrophobicContact CD1-CB 3.78Å; Y37-D146 HydrophobicContact CE1-CB 3.82Å; Y37-V148 HydrophobicContact CD2-CG2 3.77Å; Y37-V148 HydrophobicContact CG-CG2 3.94Å |
| 38 | F | 98.4 | Very high | 95.9 | Very high | 30 Ų | 30 | 57.4 Ų | 57.4 | 13% | 0.132 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 131.6 | 171.4 | -66.6 | -67 | 0 | 0 | 0 | 110 | L16 A19 R22 R24 F40 M145 I147 V148 | L16-F38 HydrophobicContact CD1-CB 3.97Å; L16-F38 HydrophobicContact CD1-CD1 4.24Å; L16-F38 HydrophobicContact CD1-CD2 3.5Å; L16-F38 VanDerWaalsContact CD1-CD2 3.5Å; L16-F38 HydrophobicContact CD1-CE2 3.99Å; L16-F38 HydrophobicContact CD1-CG 3.63Å; L16-F38 HydrophobicContact CG-CD2 4.45Å; A19-F38 HydrophobicContact CB-CE1 4.19Å; A19-F38 HydrophobicContact CB-CZ 3.88Å; A19-F38 VanDerWaalsContact O-CE1 3.31Å; A19-F38 WeakPolarHBondContact O-CE1 3.48Å; R22-F38 HydrophobicContact CB-CD1 4.28Å; R22-F38 HydrophobicContact CG-CD1 4.23Å; R24-F38 HydrophobicContact CG-CD1 4.17Å; R24-F38 HydrophobicContact CG-CE1 4.42Å; F38-F40 HydrophobicContact CB-CD2 4.4Å; F38-F40 HydrophobicContact CB-CE2 3.92Å; F38-M145 HydrophobicContact CD2-SD 4.46Å; F38-M145 HydrophobicContact CE2-SD 4.31Å; F38-I147 HydrophobicContact CB-CG2 4.37Å; F38-V148 PolarHBondContact O-N 3.2Å |
| 39 | L | 98.3 | Very high | 96.1 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.068 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 131 | -179.9 | 177.8 | 61.6 | 0 | 0 | 0 | 110.2 | K23 A25 Y37 Y41 V148 H150 | K23-L39 HydrophobicContact CB-CB 4.37Å; K23-L39 HydrophobicContact CB-CD2 4.39Å; K23-L39 WeakPolarHBondContact O-CB 3.17Å; K23-L39 PolarHBondContact O-N 2.88Å; A25-L39 HydrophobicContact CB-CB 4.12Å; A25-L39 HydrophobicContact CB-CD1 4.08Å; A25-L39 HydrophobicContact CB-CD2 4.36Å; A25-L39 HydrophobicContact CB-CG 4.42Å; Y37-L39 PolarHBondContact O-N 2.83Å; L39-Y41 HydrophobicContact CD2-CE2 4.17Å; L39-Y41 WeakPolarHBondContact CD2-OH 3.44Å; L39-Y41 HydrophobicContact CG-CE2 4.22Å; L39-V148 WeakPolarHBondContact CA-O 3.47Å; L39-V148 HydrophobicContact CD1-CG1 4.26Å; L39-H150 HydrophobicContact CD1-CB 3.92Å; L39-H150 WeakPolarHBondContact CD1-ND1 3.23Å |
| 40 | F | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 160.1 | 173.3 | -75.5 | -94 | 0 | 0 | 0 | 111.3 | L16 F38 E44 V46 K114 I147 V148 V149 H150 | L16-F40 HydrophobicContact CD1-CE2 3.93Å; L16-F40 HydrophobicContact CD1-CZ 3.9Å; F38-F40 HydrophobicContact CB-CD2 4.4Å; F38-F40 HydrophobicContact CB-CE2 3.92Å; F40-E44 HydrophobicContact CD1-CB 4.2Å; F40-E44 WeakPolarHBondContact CD1-OE2 3.46Å; F40-V46 HydrophobicContact CD1-CG2 4.09Å; F40-V46 HydrophobicContact CE1-CB 4.44Å; F40-V46 HydrophobicContact CE1-CG1 4.49Å; F40-V46 HydrophobicContact CE1-CG2 3.83Å; F40-V46 HydrophobicContact CZ-CG1 4.28Å; F40-V46 HydrophobicContact CZ-CG2 4.34Å; F40-K114 HydrophobicContact CB-CD 4.12Å; F40-I147 HydrophobicContact CB-CD1 4.43Å; F40-I147 HydrophobicContact CD2-CB 4.02Å; F40-I147 HydrophobicContact CD2-CD1 3.68Å; F40-I147 HydrophobicContact CD2-CG1 4.4Å; F40-I147 HydrophobicContact CD2-CG2 4.23Å; F40-I147 HydrophobicContact CE2-CB 4.28Å; F40-I147 HydrophobicContact CE2-CD1 4.13Å; F40-I147 HydrophobicContact CE2-CG2 3.96Å; F40-I147 HydrophobicContact CG-CD1 4.15Å; F40-V148 PolarHBondContact N-O 3.11Å; F40-V149 WeakPolarHBondContact O-CA 3.49Å; F40-H150 PolarHBondContact O-N 2.86Å |
| 41 | Y | 98.1 | Very high | 96.7 | Very high | 51 Ų | 51 | 52.7 Ų | 52.7 | 20% | 0.2 | 27% | 0.272 | C | S | . | . | trans | -120.3 | 166.2 | 170.3 | -61 | -83.7 | 0 | 0 | 0 | 110.7 | L39 E44 K114 H150 L152 | L39-Y41 HydrophobicContact CD2-CE2 4.17Å; L39-Y41 WeakPolarHBondContact CD2-OH 3.44Å; L39-Y41 HydrophobicContact CG-CE2 4.22Å; Y41-E44 WeakPolarHBondContact CD2-OE1 3.26Å; Y41-E44 PolarHBondContact N-OE2 2.9Å; Y41-E44 WeakPolarHBondContact O-CB 3.44Å; Y41-E44 PolarHBondContact O-N 2.93Å; Y41-K114 WeakPolarHBondContact O-CD 3.42Å; Y41-K114 WeakPolarHBondContact O-CE 3.5Å; Y41-K114 PolarHBondContact O-NZ 3.35Å; Y41-H150 HydrophobicContact CD1-CB 4.21Å; Y41-H150 VanDerWaalsContact CD1-O 3.31Å; Y41-H150 WeakPolarHBondContact CD1-O 3.47Å; Y41-H150 HydrophobicContact CE1-CB 3.73Å; Y41-L152 HydrophobicContact CD1-CD1 4.07Å; Y41-L152 HydrophobicContact CD1-CG 3.93Å; Y41-L152 HydrophobicContact CE1-CD1 3.72Å; Y41-L152 HydrophobicContact CE1-CD2 3.79Å; Y41-L152 HydrophobicContact CE1-CG 3.62Å | ||
| 42 | D | 97.1 | Very high | 97 | Very high | 97 Ų | 97 | 48.2 Ų | 48.2 | 52% | 0.519 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 143.1 | 176.7 | -169.7 | 25.1 | 0 | 0 | 0 | 112.1 | E44 E113 K114 | D42-E44 PolarHBondContact O-N 3.14Å; D42-E44 VanDerWaalsContact O-N 3.11Å; D42-E113 WeakPolarHBondContact OD1-CA 3.43Å; D42-K114 PolarHBondContact OD1-N 2.87Å |
| 43 | G | 95.3 | Very high | 97.2 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | -17.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | H111 V112 | G43-H111 WeakPolarHBondContact O-CA 3.41Å; G43-V112 WeakPolarHBondContact CA-O 3.38Å; G43-V112 PolarHBondContact N-O 2.81Å; G43-V112 VanDerWaalsContact N-O 3.11Å |
| 44 | E | 97.6 | Very high | 97.2 | Very high | 73 Ų | 73 | 42.9 Ų | 42.9 | 34% | 0.341 | 22% | 0.221 | S | C | . | . | trans | -61.6 | 139.5 | -179.8 | -68.4 | -169 | 173.2 | 0 | 0 | 113.1 | F40 Y41 D42 K114 | F40-E44 HydrophobicContact CD1-CB 4.2Å; F40-E44 WeakPolarHBondContact CD1-OE2 3.46Å; Y41-E44 WeakPolarHBondContact CD2-OE1 3.26Å; Y41-E44 PolarHBondContact N-OE2 2.9Å; Y41-E44 WeakPolarHBondContact O-CB 3.44Å; Y41-E44 PolarHBondContact O-N 2.93Å; D42-E44 PolarHBondContact O-N 3.14Å; D42-E44 VanDerWaalsContact O-N 3.11Å; E44-K114 PolarHBondContact O-NZ 2.98Å | ||
| 45 | T | 98.2 | Very high | 96.9 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | trans | -65.6 | 137.5 | 172.1 | -64.8 | 0 | 0 | 0 | 0 | 111.1 | E108 F109 T110 | T45-E108 HydrophobicContact CG2-CG 3.79Å; T45-F109 CarbonylContact C-O 3.57Å; T45-F109 VanDerWaalsContact CA-O 3.31Å; T45-F109 WeakPolarHBondContact CA-O 3.17Å; T45-F109 WeakPolarHBondContact CG2-O 3.12Å; T45-T110 HydrophobicContact CG2-CG2 4.29Å | ||
| 46 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 106.1 | 173 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | L16 F40 F70 F107 F109 V112 L130 | L16-V46 HydrophobicContact CD2-CG1 4.36Å; F40-V46 HydrophobicContact CD1-CG2 4.09Å; F40-V46 HydrophobicContact CE1-CB 4.44Å; F40-V46 HydrophobicContact CE1-CG1 4.49Å; F40-V46 HydrophobicContact CE1-CG2 3.83Å; F40-V46 HydrophobicContact CZ-CG1 4.28Å; F40-V46 HydrophobicContact CZ-CG2 4.34Å; V46-F70 HydrophobicContact CB-CD2 4.36Å; V46-F70 HydrophobicContact CG1-CD2 4.24Å; V46-F70 HydrophobicContact CG2-CD2 4.07Å; V46-F70 HydrophobicContact CG2-CE2 3.81Å; V46-F107 HydrophobicContact CG1-CE2 4.43Å; V46-F109 PolarHBondContact N-O 3.04Å; V46-F109 PolarHBondContact O-N 2.86Å; V46-V112 HydrophobicContact CB-CG2 4.46Å; V46-V112 HydrophobicContact CG2-CB 4.42Å; V46-V112 HydrophobicContact CG2-CG2 4.12Å; V46-L130 HydrophobicContact CG1-CD1 3.87Å; V46-L130 HydrophobicContact CG1-CD2 4.09Å; V46-L130 HydrophobicContact CG1-CG 4.3Å |
| 47 | S | 98.5 | Very high | 95.6 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 11% | 0.105 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.7 | -177 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | N17 F107 | N17-S47 PolarHBondContact N-O 3.48Å; N17-S47 VanDerWaalsContact N-O 3.15Å; N17-S47 PolarHBondContact ND2-OG 2.92Å; N17-S47 VanDerWaalsContact ND2-OG 3.16Å; S47-F107 WeakPolarHBondContact CA-O 3.02Å; S47-F107 WeakPolarHBondContact CB-O 3.35Å |
| 48 | G | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | -158.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L15 D106 F107 | L15-G48 CarbonylContact O-C 3.58Å; L15-G48 WeakPolarHBondContact O-CA 3.32Å; G48-D106 WeakPolarHBondContact O-CA 3.34Å; G48-F107 VanDerWaalsContact C-CD1 3.42Å; G48-F107 PolarHBondContact N-O 3.09Å; G48-F107 WeakPolarHBondContact O-CD1 3.22Å; G48-F107 PolarHBondContact O-N 2.77Å |
| 49 | K | 98.4 | Very high | 94.3 | Very high | 87 Ų | 87 | 52.6 Ų | 52.6 | 38% | 0.378 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 143 | -179.8 | 3.8 | -174.9 | 171.1 | -140 | 0 | 110.6 | L15 A104 F105 F107 | L15-K49 PolarHBondContact N-O 3.28Å; L15-K49 PolarHBondContact O-N 2.91Å; K49-A104 HydrophobicContact CB-CB 4.42Å; K49-F105 CarbonylContact C-O 3.59Å; K49-F105 VanDerWaalsContact CA-O 3.23Å; K49-F105 WeakPolarHBondContact CA-O 3.44Å; K49-F107 VanDerWaalsContact N-CE1 3.31Å |
| 50 | V | 98.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 111.8 | 167.8 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | V12 E13 L52 I68 L93 A104 F105 F107 A132 | V12-V50 HydrophobicContact CG1-CG1 3.83Å; E13-V50 CarbonylContact O-C 3.55Å; E13-V50 WeakPolarHBondContact O-CA 3.45Å; V50-L52 HydrophobicContact CG1-CD1 3.87Å; V50-I68 HydrophobicContact CG2-CB 4.12Å; V50-I68 HydrophobicContact CG2-CD1 4Å; V50-I68 HydrophobicContact CG2-CG1 4.24Å; V50-L93 HydrophobicContact CB-CD1 3.9Å; V50-L93 HydrophobicContact CG2-CD1 3.6Å; V50-A104 CarbonylContact O-C 3.59Å; V50-A104 VanDerWaalsContact O-CA 3.26Å; V50-A104 WeakPolarHBondContact O-CA 3.41Å; V50-F105 PolarHBondContact N-O 3.16Å; V50-F105 PolarHBondContact O-N 2.8Å; V50-F107 HydrophobicContact CG2-CD1 3.99Å; V50-F107 HydrophobicContact CG2-CE1 4.18Å; V50-A132 HydrophobicContact CG1-CB 3.74Å; V50-A132 HydrophobicContact CG2-CB 4.16Å |
| 51 | S | 98.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 60.4 Ų | 60.4 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128.8 | 179.7 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | V12 E13 | V12-S51 WeakPolarHBondContact CA-O 3.39Å; E13-S51 PolarHBondContact N-O 2.83Å; E13-S51 PolarHBondContact O-N 2.98Å |
| 52 | L | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 114.1 | 176.5 | -75.4 | 72.8 | 0 | 0 | 0 | 108.7 | V10 E11 V50 I66 S102 Q103 F105 I134 | V10-L52 HydrophobicContact CG2-CB 3.99Å; V10-L52 HydrophobicContact CG2-CD2 4.41Å; V10-L52 HydrophobicContact CG2-CG 4.26Å; E11-L52 WeakPolarHBondContact O-CA 3.39Å; V50-L52 HydrophobicContact CG1-CD1 3.87Å; L52-I66 HydrophobicContact CD2-CD1 3.81Å; L52-S102 WeakPolarHBondContact O-CA 3.48Å; L52-S102 VanDerWaalsContact O-CB 3.26Å; L52-S102 WeakPolarHBondContact O-CB 3.38Å; L52-Q103 PolarHBondContact N-O 2.91Å; L52-Q103 PolarHBondContact O-N 2.96Å; L52-Q103 VanDerWaalsContact O-N 3.16Å; L52-F105 HydrophobicContact CD1-CD2 3.84Å; L52-F105 HydrophobicContact CD1-CE2 3.88Å; L52-F105 HydrophobicContact CD2-CE2 4.31Å; L52-I134 HydrophobicContact CD2-CD1 3.5Å; L52-I134 VanDerWaalsContact CD2-CD1 3.5Å; L52-I134 HydrophobicContact CD2-CG1 4.24Å; L52-I134 HydrophobicContact CG-CD1 3.97Å |
| 53 | A | 94.9 | Very high | 93.4 | Very high | 37 Ų | 37 | 60.7 Ų | 60.7 | 31% | 0.306 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 113.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V10 E11 K55 | V10-A53 CarbonylContact C-O 3.51Å; V10-A53 WeakPolarHBondContact CA-O 3.47Å; E11-A53 HydrophobicContact CB-CB 4.28Å; E11-A53 PolarHBondContact N-O 2.84Å; E11-A53 PolarHBondContact O-N 2.75Å; A53-K55 PolarHBondContact O-N 2.9Å |
| 54 | L | 92.3 | Very high | 93.6 | Very high | 15 Ų | 15 | 64.5 Ų | 64.5 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 123.3 | 174.4 | -66.2 | 177.5 | 0 | 0 | 0 | 109.7 | V10 N56 L61 I99 S102 | V10-L54 HydrophobicContact CB-CD2 4.36Å; V10-L54 HydrophobicContact CG2-CD2 4.3Å; L54-N56 PolarHBondContact O-N 3.45Å; L54-L61 HydrophobicContact CD2-CB 3.94Å; L54-L61 HydrophobicContact CD2-CD2 4.28Å; L54-I99 HydrophobicContact CD1-CG2 4.31Å; L54-I99 HydrophobicContact CD2-CG2 4.49Å; L54-S102 PolarHBondContact N-OG 2.87Å |
| 55 | K | 88.8 | Confident | 93.6 | Very high | 112 Ų | 112 | 61.6 Ų | 61.6 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -67.1 | -28.3 | 177.7 | -67.1 | -168.1 | -174.9 | 161.1 | 0 | 113 | Q8 S9 A53 | Q8-K55 WeakPolarHBondContact O-CD 3.12Å; Q8-K55 VanDerWaalsContact O-CE 3.22Å; Q8-K55 WeakPolarHBondContact O-CE 3.5Å; Q8-K55 PolarHBondContact O-NZ 3.16Å; S9-K55 PolarHBondContact O-N 2.98Å; S9-K55 VanDerWaalsContact O-N 3.08Å; A53-K55 PolarHBondContact O-N 2.9Å |
| 56 | N | 86.5 | Confident | 93.6 | Very high | 86 Ų | 86 | 59.2 Ų | 59.2 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -122.6 | 101.8 | 177.6 | -70.7 | -47.4 | 0 | 0 | 0 | 108.9 | L54 N58 K59 | L54-N56 PolarHBondContact O-N 3.45Å; N56-N58 PolarHBondContact O-N 3.46Å; N56-K59 HydrophobicContact CB-CB 4.03Å; N56-K59 HydrophobicContact CB-CD 4.23Å; N56-K59 HydrophobicContact CB-CG 4.11Å; N56-K59 PolarHBondContact O-N 3Å |
| 57 | P | 78.3 | Confident | 93.6 | Very high | 99 Ų | 99 | 61.9 Ų | 61.9 | 64% | 0.643 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.1 | -176.6 | -27.5 | 35 | 0 | 0 | 0 | 114.5 | ||
| 58 | N | 82.3 | Confident | 93.6 | Very high | 164 Ų | 164 | 61.2 Ų | 61.2 | 88% | 0.877 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -3.5 | -179.3 | -63.4 | -23.1 | 0 | 0 | 0 | 113.7 | N56 | N56-N58 PolarHBondContact O-N 3.46Š|
| 59 | K | 87.3 | Confident | 93.6 | Very high | 132 Ų | 132 | 61.7 Ų | 61.7 | 57% | 0.574 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -104.5 | 127.9 | 179 | -76.1 | -168.8 | 174.3 | -176.9 | 0 | 110.5 | N56 | N56-K59 HydrophobicContact CB-CB 4.03Å; N56-K59 HydrophobicContact CB-CD 4.23Å; N56-K59 HydrophobicContact CB-CG 4.11Å; N56-K59 PolarHBondContact O-N 3Å |
| 60 | R | 89.8 | Confident | 93.6 | Very high | 174 Ų | 174 | 57.6 Ų | 57.6 | 66% | 0.657 | 29% | 0.287 | S | S | * | . | trans | -76.2 | 144.5 | 173.8 | -47.6 | -171.4 | -173.3 | 177.9 | -0 | 110.3 | E98 T100 | R60-E98 WeakPolarHBondContact CD-OE2 3.37Å; R60-E98 IonicContact NH1-OE2 3.5Å; R60-E98 PolarHBondContact NH1-OE2 2.93Å; R60-T100 HydrophobicContact CG-CG2 4.1Å | ||
| 61 | L | 92.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 104.5 | 173.5 | 173.4 | 71.7 | 0 | 0 | 0 | 109.3 | V10 L54 E98 I99 I134 | V10-L61 HydrophobicContact CB-CD2 3.92Å; V10-L61 HydrophobicContact CG1-CD2 3.86Å; V10-L61 HydrophobicContact CG2-CD2 4.12Å; L54-L61 HydrophobicContact CD2-CB 3.94Å; L54-L61 HydrophobicContact CD2-CD2 4.28Å; L61-E98 CarbonylContact O-C 3.41Å; L61-E98 WeakPolarHBondContact O-CA 3.5Å; L61-I99 HydrophobicContact CB-CB 4.2Å; L61-I99 HydrophobicContact CD2-CB 4.48Å; L61-I99 HydrophobicContact CD2-CG1 4.42Å; L61-I99 PolarHBondContact N-O 2.95Å; L61-I99 PolarHBondContact O-N 2.89Å; L61-I134 HydrophobicContact CD2-CD1 4.47Å; L61-I134 HydrophobicContact CD2-CG2 4.49Å |
| 62 | E | 94.8 | Very high | 93.7 | Very high | 140 Ų | 140 | 56 Ų | 56 | 65% | 0.654 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 134.1 | 168.9 | -69.7 | 173.3 | -160.5 | 0 | 0 | 110.8 | E98 | E62-E98 HydrophobicContact CG-CG 3.88Å |
| 63 | H | 96.5 | Very high | 93.7 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 6% | 0.06 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 155.5 | 178 | 66.9 | 95.1 | 0 | 0 | 0 | 112.1 | G65 R95 P96 G97 I134 S135 | H63-G65 PolarHBondContact ND1-N 2.97Å; H63-R95 PolarHBondContact CE1-O 2.85Å; H63-P96 WeakPolarHBondContact O-CA 3.46Å; H63-G97 PolarHBondContact CD2-O 3.06Å; H63-G97 PolarHBondContact N-O 2.82Å; H63-G97 PolarHBondContact O-N 3.36Å; H63-I134 HydrophobicContact CB-CG2 3.63Å; H63-S135 CarbonylContact C-O 3.48Å; H63-S135 VanDerWaalsContact CA-O 3.31Å; H63-S135 WeakPolarHBondContact CA-O 3.45Å; H63-S135 WeakPolarHBondContact CB-O 3.35Å |
| 64 | Q | 97.6 | Very high | 93.9 | Very high | 119 Ų | 119 | 54.4 Ų | 54.4 | 56% | 0.556 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -97.9 | 9.4 | 177.3 | -65 | -177.5 | -11.6 | 0 | 0 | 112.8 | P96 S135 | Q64-P96 WeakPolarHBondContact O-CG 3.4Å; Q64-S135 PolarHBondContact N-O 2.92Å |
| 65 | G | 97.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.9 | 155.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | H63 A94 S135 | H63-G65 PolarHBondContact ND1-N 2.97Å; G65-A94 WeakPolarHBondContact CA-O 3.42Å; G65-S135 PolarHBondContact O-N 2.82Å |
| 66 | I | 98.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128.9 | 171.4 | -55 | 173.1 | 0 | 0 | 0 | 106.4 | L52 L93 A94 I99 F105 T133 I134 | L52-I66 HydrophobicContact CD2-CD1 3.81Å; I66-L93 HydrophobicContact CB-CB 4.36Å; I66-L93 HydrophobicContact CG2-CB 4.15Å; I66-L93 HydrophobicContact CG2-CD1 4.28Å; I66-L93 WeakPolarHBondContact O-CA 3.47Å; I66-L93 PolarHBondContact O-N 3.3Å; I66-A94 HydrophobicContact CB-CB 4.01Å; I66-A94 HydrophobicContact CD1-CB 3.94Å; I66-A94 HydrophobicContact CG1-CB 4.07Å; I66-A94 PolarHBondContact N-O 2.99Å; I66-A94 PolarHBondContact O-N 2.8Å; I66-A94 VanDerWaalsContact O-N 3.13Å; I66-I99 HydrophobicContact CD1-CD1 3.92Å; I66-I99 HydrophobicContact CD1-CG1 4.33Å; I66-F105 HydrophobicContact CD1-CE2 3.78Å; I66-F105 HydrophobicContact CD1-CZ 3.97Å; I66-T133 WeakPolarHBondContact CA-O 3.48Å; I66-I134 HydrophobicContact CG1-CG1 4.31Å; I66-I134 HydrophobicContact CG1-CG2 4.28Å; I66-I134 HydrophobicContact CG2-CG1 4.31Å |
| 67 | K | 98.6 | Very high | 94.7 | Very high | 56 Ų | 56 | 47.3 Ų | 47.3 | 24% | 0.243 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 158 | 176.9 | 63.3 | 174 | 179.7 | 167.3 | 0 | 111.4 | E69 V90 K91 A132 T133 | K67-E69 HydrophobicContact CD-CG 4.18Å; K67-E69 WeakPolarHBondContact CE-OE1 3.31Å; K67-E69 IonicContact NZ-OE1 2.73Å; K67-E69 PolarHBondContact NZ-OE1 3.42Å; K67-E69 IonicContact NZ-OE2 3.23Å; K67-V90 HydrophobicContact CB-CG1 4.45Å; K67-V90 HydrophobicContact CD-CG1 4.16Å; K67-K91 WeakPolarHBondContact CA-O 3.37Å; K67-A132 WeakPolarHBondContact O-CA 3.5Å; K67-T133 PolarHBondContact N-O 2.84Å; K67-T133 PolarHBondContact O-N 2.77Å |
| 68 | I | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138.9 | 165.7 | -177.9 | 68.3 | 0 | 0 | 0 | 108.6 | I14 V50 K91 L93 F107 F109 L130 R131 A132 | I14-I68 HydrophobicContact CD1-CD1 3.97Å; V50-I68 HydrophobicContact CG2-CB 4.12Å; V50-I68 HydrophobicContact CG2-CD1 4Å; V50-I68 HydrophobicContact CG2-CG1 4.24Å; I68-K91 HydrophobicContact CG2-CB 3.9Å; I68-K91 PolarHBondContact N-O 2.89Å; I68-K91 PolarHBondContact O-N 2.79Å; I68-L93 HydrophobicContact CB-CD1 3.93Å; I68-L93 HydrophobicContact CB-CG 4.45Å; I68-L93 HydrophobicContact CG2-CD1 3.83Å; I68-L93 HydrophobicContact CG2-CD2 3.8Å; I68-L93 HydrophobicContact CG2-CG 3.93Å; I68-F107 HydrophobicContact CG1-CD1 4.31Å; I68-F107 HydrophobicContact CG1-CD2 4.41Å; I68-F107 HydrophobicContact CG1-CE1 4.47Å; I68-F107 HydrophobicContact CG1-CG 4.28Å; I68-F107 HydrophobicContact CG2-CB 3.66Å; I68-F107 HydrophobicContact CG2-CD1 4.41Å; I68-F107 HydrophobicContact CG2-CD2 4.47Å; I68-F107 HydrophobicContact CG2-CG 3.95Å; I68-F109 HydrophobicContact CG1-CE2 4.22Å; I68-F109 HydrophobicContact CG2-CE2 4.22Å; I68-F109 HydrophobicContact CG2-CZ 4.02Å; I68-L130 HydrophobicContact CD1-CB 4.09Å; I68-L130 HydrophobicContact CD1-CD2 4.28Å; I68-L130 HydrophobicContact CG1-CD2 4.19Å; I68-R131 CarbonylContact C-O 3.48Å; I68-R131 WeakPolarHBondContact CA-O 3.31Å; I68-R131 WeakPolarHBondContact CD1-O 3.37Å; I68-A132 HydrophobicContact CD1-CB 3.98Å |
| 69 | E | 98.8 | Very high | 95.5 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 5% | 0.051 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 139.4 | -179.9 | -53.5 | 176.9 | 125.8 | 0 | 0 | 109.3 | K67 I71 L89 V90 L130 R131 | K67-E69 HydrophobicContact CD-CG 4.18Å; K67-E69 WeakPolarHBondContact CE-OE1 3.31Å; K67-E69 IonicContact NZ-OE1 2.73Å; K67-E69 PolarHBondContact NZ-OE1 3.42Å; K67-E69 IonicContact NZ-OE2 3.23Å; E69-I71 HydrophobicContact CB-CD1 3.97Å; E69-I71 HydrophobicContact CB-CG1 4.08Å; E69-L89 CarbonylContact C-O 3.5Å; E69-L89 WeakPolarHBondContact CA-O 3.26Å; E69-V90 HydrophobicContact CG-CG1 4.28Å; E69-V90 HydrophobicContact CG-CG2 4.1Å; E69-L130 CarbonylContact O-C 3.53Å; E69-L130 VanDerWaalsContact O-CA 3.26Å; E69-L130 WeakPolarHBondContact O-CA 3.29Å; E69-R131 HydrophobicContact CB-CB 4.36Å; E69-R131 PolarHBondContact N-O 2.8Å; E69-R131 PolarHBondContact O-N 2.91Å; E69-R131 IonicContact OE1-NH2 2.94Å; E69-R131 IonicContact OE2-CZ 2.73Å; E69-R131 IonicContact OE2-NE 3.72Å; E69-R131 PolarHBondContact OE2-NE 3.16Å; E69-R131 IonicContact OE2-NH2 3.88Å; E69-R131 PolarHBondContact OE2-NH2 2.68Å |
| 70 | F | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.6 | 163.5 | 177.6 | -83.8 | 0 | 0 | 0 | 108 | V46 V87 S88 L89 F109 V112 K114 Y128 L130 I147 | V46-F70 HydrophobicContact CB-CD2 4.36Å; V46-F70 HydrophobicContact CG1-CD2 4.24Å; V46-F70 HydrophobicContact CG2-CD2 4.07Å; V46-F70 HydrophobicContact CG2-CE2 3.81Å; F70-V87 HydrophobicContact CD1-CG1 4.43Å; F70-V87 HydrophobicContact CD1-CG2 4.33Å; F70-V87 HydrophobicContact CE1-CG1 3.95Å; F70-V87 HydrophobicContact CE1-CG2 4.34Å; F70-S88 WeakPolarHBondContact O-CA 3.42Å; F70-L89 HydrophobicContact CB-CB 4.26Å; F70-L89 HydrophobicContact CD1-CD1 4.43Å; F70-L89 PolarHBondContact N-O 3.25Å; F70-L89 PolarHBondContact O-N 2.99Å; F70-F109 HydrophobicContact CB-CD2 4.05Å; F70-F109 HydrophobicContact CB-CE2 4.04Å; F70-F109 HydrophobicContact CB-CG 4.44Å; F70-F109 HydrophobicContact CB-CZ 4.42Å; F70-V112 HydrophobicContact CD1-CG1 3.51Å; F70-V112 HydrophobicContact CD2-CG1 4.31Å; F70-V112 HydrophobicContact CE1-CG1 3.23Å; F70-V112 HydrophobicContact CE2-CG1 4.06Å; F70-V112 HydrophobicContact CG-CG1 4.07Å; F70-V112 HydrophobicContact CZ-CG1 3.54Å; F70-K114 HydrophobicContact CE1-CG 4.47Å; F70-K114 HydrophobicContact CZ-CD 4.1Å; F70-K114 HydrophobicContact CZ-CG 4.02Å; F70-Y128 HydrophobicContact CE1-CD1 4.01Å; F70-Y128 AromaticContact CZ-CD1 3.8Å; F70-Y128 HydrophobicContact CZ-CD1 3.8Å; F70-L130 HydrophobicContact CB-CD2 4.12Å; F70-L130 HydrophobicContact CD2-CD2 4.1Å; F70-I147 HydrophobicContact CE2-CD1 3.58Å; F70-I147 HydrophobicContact CZ-CD1 4.17Å |
| 71 | I | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.8 | -173.8 | -61.2 | 166.1 | 0 | 0 | 0 | 109 | E69 Q73 E85 V87 Y128 F129 R131 | E69-I71 HydrophobicContact CB-CD1 3.97Å; E69-I71 HydrophobicContact CB-CG1 4.08Å; I71-Q73 HydrophobicContact CG2-CB 4.2Å; I71-Q73 HydrophobicContact CG2-CG 4.49Å; I71-E85 HydrophobicContact CG2-CG 3.97Å; I71-V87 WeakPolarHBondContact CA-O 3.44Å; I71-Y128 CarbonylContact O-C 3.55Å; I71-Y128 VanDerWaalsContact O-CA 3.26Å; I71-Y128 WeakPolarHBondContact O-CA 3.35Å; I71-F129 HydrophobicContact CB-CE1 4.07Å; I71-F129 HydrophobicContact CB-CE2 4.08Å; I71-F129 HydrophobicContact CB-CZ 3.81Å; I71-F129 HydrophobicContact CD1-CE2 3.83Å; I71-F129 HydrophobicContact CD1-CZ 3.99Å; I71-F129 HydrophobicContact CG1-CE2 4.49Å; I71-F129 HydrophobicContact CG2-CE1 3.89Å; I71-F129 HydrophobicContact CG2-CE2 4.49Å; I71-F129 HydrophobicContact CG2-CZ 3.75Å; I71-F129 PolarHBondContact N-O 3.34Å; I71-F129 PolarHBondContact O-N 3.01Å; I71-R131 HydrophobicContact CD1-CB 4.44Å |
| 72 | G | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 123.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | F86 V87 R127 | G72-F86 VanDerWaalsContact C-CE1 3.42Å; G72-F86 VanDerWaalsContact C-CZ 3.44Å; G72-F86 WeakPolarHBondContact O-CD1 3.49Å; G72-F86 PolarHBondContact O-N 3.11Å; G72-V87 VanDerWaalsContact N-CG1 3.34Å; G72-V87 PolarHBondContact N-O 3.16Å; G72-V87 PolarHBondContact O-N 3.01Å; G72-R127 WeakPolarHBondContact CA-O 3.36Å |
| 73 | Q | 98.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.023 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 157.4 | -173.9 | 73.1 | -176 | 24.3 | 0 | 0 | 112.8 | I71 E75 H84 E85 F86 L126 R127 F129 | I71-Q73 HydrophobicContact CG2-CB 4.2Å; I71-Q73 HydrophobicContact CG2-CG 4.49Å; Q73-E75 HydrophobicContact CG-CG 4.26Å; Q73-E75 PolarHBondContact NE2-OE1 3.08Å; Q73-H84 VanDerWaalsContact CA-O 3.32Å; Q73-H84 WeakPolarHBondContact CA-O 3.27Å; Q73-E85 HydrophobicContact CB-CG 4.17Å; Q73-F86 VanDerWaalsContact C-CE1 3.49Å; Q73-L126 WeakPolarHBondContact O-CA 3.43Å; Q73-R127 HydrophobicContact CG-CG 4.29Å; Q73-R127 PolarHBondContact N-O 3.49Å; Q73-R127 PolarHBondContact O-N 3.3Å; Q73-R127 VanDerWaalsContact O-N 3.16Å; Q73-F129 HydrophobicContact CG-CE1 4.01Å |
| 74 | I | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.5 | 170.1 | -58.9 | 171.7 | 0 | 0 | 0 | 108.2 | L76 H84 F86 V124 K125 L126 I262 N263 K265 F266 | I74-L76 HydrophobicContact CG2-CD2 3.96Å; I74-L76 HydrophobicContact CG2-CG 4.31Å; I74-H84 HydrophobicContact CB-CB 4.34Å; I74-H84 PolarHBondContact N-O 2.8Å; I74-H84 PolarHBondContact O-N 2.86Å; I74-F86 HydrophobicContact CD1-CD1 4.26Å; I74-F86 HydrophobicContact CD1-CE1 4.46Å; I74-F86 HydrophobicContact CG1-CD1 3.91Å; I74-F86 HydrophobicContact CG1-CE1 3.81Å; I74-V124 HydrophobicContact CG2-CG2 3.54Å; I74-K125 CarbonylContact C-O 3.5Å; I74-K125 WeakPolarHBondContact CA-O 3.26Å; I74-L126 HydrophobicContact CD1-CD1 4.35Å; I74-L126 HydrophobicContact CG1-CB 4.46Å; I74-L126 HydrophobicContact CG1-CD1 4.06Å; I74-L126 HydrophobicContact CG1-CG 4.12Å; I74-I262 HydrophobicContact CD1-CG2 4.13Å; I74-N263 HydrophobicContact CD1-CB 3.76Å; I74-K265 HydrophobicContact CD1-CB 4.13Å; I74-K265 HydrophobicContact CD1-CG 4.11Å; I74-K265 HydrophobicContact CG2-CB 4.31Å; I74-F266 HydrophobicContact CD1-CD1 4.38Å; I74-F266 HydrophobicContact CD1-CE1 4.07Å; I74-F266 HydrophobicContact CG1-CE1 4.38Å; I74-F266 HydrophobicContact CG2-CD1 4.3Å; I74-F266 HydrophobicContact CG2-CE1 4.38Å |
| 75 | E | 96.4 | Very high | 94.8 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120.1 | 175.5 | -59.7 | 170.9 | -164.9 | 0 | 0 | 108.3 | Q73 V124 K125 R127 | Q73-E75 HydrophobicContact CG-CG 4.26Å; Q73-E75 PolarHBondContact NE2-OE1 3.08Å; E75-V124 CarbonylContact O-C 3.08Å; E75-V124 WeakPolarHBondContact O-CA 3.34Å; E75-K125 HydrophobicContact CB-CB 4.32Å; E75-K125 PolarHBondContact N-O 2.98Å; E75-K125 PolarHBondContact O-N 3.06Å; E75-R127 WeakPolarHBondContact OE1-CD 3.32Å; E75-R127 IonicContact OE1-NH1 2.63Å |
| 76 | L | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.7 | 178.9 | -59 | 170.8 | 0 | 0 | 0 | 108.4 | I74 Y78 D79 R80 V124 T215 K265 | I74-L76 HydrophobicContact CG2-CD2 3.96Å; I74-L76 HydrophobicContact CG2-CG 4.31Å; L76-Y78 VanDerWaalsContact C-N 3.26Å; L76-Y78 HydrophobicContact CB-CD1 4.14Å; L76-Y78 HydrophobicContact CB-CE1 3.78Å; L76-Y78 HydrophobicContact CD1-CE1 4.13Å; L76-Y78 WeakPolarHBondContact CD1-OH 3.44Å; L76-Y78 HydrophobicContact CD2-CE1 4.31Å; L76-Y78 HydrophobicContact CG-CE1 4.29Å; L76-Y78 PolarHBondContact O-N 2.95Å; L76-D79 CarbonylContact O-C 3.58Å; L76-D79 PolarHBondContact O-N 3.01Å; L76-R80 PolarHBondContact O-N 3.12Å; L76-R80 VanDerWaalsContact O-N 3.17Å; L76-V124 HydrophobicContact CD2-CB 4.17Å; L76-V124 HydrophobicContact CD2-CG2 3.72Å; L76-T215 HydrophobicContact CD2-CG2 3.45Å; L76-T215 VanDerWaalsContact CD2-CG2 3.45Å; L76-K265 HydrophobicContact CD1-CD 4.18Å |
| 77 | Y | 93.5 | Very high | 94.8 | Very high | 41 Ų | 41 | 41.5 Ų | 41.5 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -73.5 | -17.5 | -171 | -63 | -15.8 | 0 | 0 | 0 | 114.4 | E30 D79 R80 Q122 N123 K125 | E30-Y77 WeakPolarHBondContact CG-OH 3.48Å; Y77-D79 VanDerWaalsContact C-N 3.26Å; Y77-R80 WeakPolarHBondContact O-CG 3.31Å; Y77-Q122 WeakPolarHBondContact CD2-O 3.06Å; Y77-Q122 VanDerWaalsContact CE2-O 3.32Å; Y77-Q122 WeakPolarHBondContact CE2-O 3.26Å; Y77-N123 PolarHBondContact N-O 3.27Å; Y77-K125 HydrophobicContact CE1-CB 4.09Å |
| 78 | Y | 89.3 | Confident | 94.8 | Very high | 83 Ų | 83 | 41.5 Ų | 41.5 | 33% | 0.325 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -77.4 | -15.5 | 170.6 | 68.4 | -100.2 | 0 | 0 | 0 | 112.4 | L76 T215 G216 Y222 | L76-Y78 VanDerWaalsContact C-N 3.26Å; L76-Y78 HydrophobicContact CB-CD1 4.14Å; L76-Y78 HydrophobicContact CB-CE1 3.78Å; L76-Y78 HydrophobicContact CD1-CE1 4.13Å; L76-Y78 WeakPolarHBondContact CD1-OH 3.44Å; L76-Y78 HydrophobicContact CD2-CE1 4.31Å; L76-Y78 HydrophobicContact CG-CE1 4.29Å; L76-Y78 PolarHBondContact O-N 2.95Å; Y78-T215 HydrophobicContact CE1-CG2 4.05Å; Y78-G216 WeakPolarHBondContact OH-CA 3.44Å; Y78-Y222 AromaticContact CD1-CD2 3.74Å; Y78-Y222 HydrophobicContact CD1-CD2 3.74Å; Y78-Y222 AromaticContact CD1-CE2 3.55Å; Y78-Y222 HydrophobicContact CD1-CE2 3.55Å; Y78-Y222 HydrophobicContact CD2-CE2 4.15Å; Y78-Y222 HydrophobicContact CE1-CD2 4.03Å; Y78-Y222 AromaticContact CE1-CE2 3.95Å; Y78-Y222 HydrophobicContact CE1-CE2 3.95Å; Y78-Y222 HydrophobicContact CG-CD2 4.3Å; Y78-Y222 AromaticContact CG-CE2 3.65Å; Y78-Y222 HydrophobicContact CG-CE2 3.65Å |
| 79 | D | 87.8 | Confident | 94.8 | Very high | 63 Ų | 63 | 44.3 Ų | 44.3 | 34% | 0.337 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -136 | 53.2 | 179.2 | -169.6 | 14.4 | 0 | 0 | 0 | 110.3 | L76 Y77 G81 N82 | L76-D79 CarbonylContact O-C 3.58Å; L76-D79 PolarHBondContact O-N 3.01Å; Y77-D79 VanDerWaalsContact C-N 3.26Å; D79-G81 PolarHBondContact O-N 3.15Å; D79-N82 HydrophobicContact CB-CB 4.45Å; D79-N82 VanDerWaalsContact CG-CB 3.4Å; D79-N82 PolarHBondContact O-N 3.36Å; D79-N82 WeakPolarHBondContact OD2-CB 3.26Å; D79-N82 PolarHBondContact OD2-ND2 2.74Å |
| 80 | R | 81.5 | Confident | 94.8 | Very high | 161 Ų | 161 | 47.4 Ų | 47.4 | 61% | 0.608 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.7 | -171.3 | -77.4 | -175.2 | 176.9 | -157.9 | -7.1 | 114.8 | L76 Y77 N82 H83 | L76-R80 PolarHBondContact O-N 3.12Å; L76-R80 VanDerWaalsContact O-N 3.17Å; Y77-R80 WeakPolarHBondContact O-CG 3.31Å; R80-N82 VanDerWaalsContact C-N 3.27Å; R80-H83 PolarHBondContact O-CE1 2.8Å |
| 81 | G | 86.1 | Confident | 94.7 | Very high | 77 Ų | 77 | 51.1 Ų | 51.1 | 79% | 0.794 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -11.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | D79 | D79-G81 PolarHBondContact O-N 3.15Š|
| 82 | N | 89.8 | Confident | 94.7 | Very high | 71 Ų | 71 | 57.2 Ų | 57.2 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | trans | -115.2 | 97.8 | -172.6 | -166.4 | 6.6 | 0 | 0 | 0 | 110.5 | D79 R80 | D79-N82 HydrophobicContact CB-CB 4.45Å; D79-N82 VanDerWaalsContact CG-CB 3.4Å; D79-N82 PolarHBondContact O-N 3.36Å; D79-N82 WeakPolarHBondContact OD2-CB 3.26Å; D79-N82 PolarHBondContact OD2-ND2 2.74Å; R80-N82 VanDerWaalsContact C-N 3.27Å | ||
| 83 | H | 93.4 | Very high | 94.7 | Very high | 92 Ų | 92 | 58.5 Ų | 58.5 | 43% | 0.426 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 130.9 | 176.1 | -55.1 | -39.6 | 0 | 0 | 0 | 110.2 | R80 | R80-H83 PolarHBondContact O-CE1 2.8Å |
| 84 | H | 95.6 | Very high | 94.7 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 17% | 0.167 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 85.8 | 176.6 | -62.5 | -50.8 | 0 | 0 | 0 | 110 | Q73 I74 F86 K265 | Q73-H84 VanDerWaalsContact CA-O 3.32Å; Q73-H84 WeakPolarHBondContact CA-O 3.27Å; I74-H84 HydrophobicContact CB-CB 4.34Å; I74-H84 PolarHBondContact N-O 2.8Å; I74-H84 PolarHBondContact O-N 2.86Å; H84-F86 PolarHBondContact O-N 2.87Å; H84-K265 PolarHBondContact CD2-NZ 2.85Å; H84-K265 PolarHBondContact CE1-NZ 2.92Å; H84-K265 PolarHBondContact NE2-NZ 2.9Å |
| 85 | E | 97.8 | Very high | 94.7 | Very high | 90 Ų | 90 | 70 Ų | 70 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 128.5 | 171.5 | -61 | -177.6 | -166.5 | 0 | 0 | 109.8 | I71 Q73 S88 | I71-E85 HydrophobicContact CG2-CG 3.97Å; Q73-E85 HydrophobicContact CB-CG 4.17Å; E85-S88 WeakPolarHBondContact OE2-CB 3.43Å; E85-S88 PolarHBondContact OE2-OG 3.46Å |
| 86 | F | 97.9 | Very high | 94.8 | Very high | 47 Ų | 47 | 73.6 Ų | 73.6 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -13.2 | 174.2 | 57.7 | -100.7 | 0 | 0 | 0 | 112.3 | G72 Q73 I74 H84 P115 Y116 L126 Y128 | G72-F86 VanDerWaalsContact C-CE1 3.42Å; G72-F86 VanDerWaalsContact C-CZ 3.44Å; G72-F86 WeakPolarHBondContact O-CD1 3.49Å; G72-F86 PolarHBondContact O-N 3.11Å; Q73-F86 VanDerWaalsContact C-CE1 3.49Å; I74-F86 HydrophobicContact CD1-CD1 4.26Å; I74-F86 HydrophobicContact CD1-CE1 4.46Å; I74-F86 HydrophobicContact CG1-CD1 3.91Å; I74-F86 HydrophobicContact CG1-CE1 3.81Å; H84-F86 PolarHBondContact O-N 2.87Å; F86-P115 HydrophobicContact CD2-CG 4.43Å; F86-Y116 HydrophobicContact CD1-CD2 4.38Å; F86-Y116 HydrophobicContact CD1-CE2 4.47Å; F86-Y116 AromaticContact CD2-CD2 4Å; F86-Y116 HydrophobicContact CD2-CD2 4Å; F86-Y116 HydrophobicContact CD2-CE2 4.06Å; F86-Y116 HydrophobicContact CE1-CD2 4.21Å; F86-Y116 AromaticContact CE2-CD2 3.85Å; F86-Y116 HydrophobicContact CE2-CD2 3.85Å; F86-Y116 HydrophobicContact CE2-CE2 4.39Å; F86-Y116 HydrophobicContact CG-CD2 4.28Å; F86-Y116 HydrophobicContact CG-CE2 4.12Å; F86-Y116 AromaticContact CZ-CD2 3.96Å; F86-Y116 HydrophobicContact CZ-CD2 3.96Å; F86-L126 HydrophobicContact CE1-CD1 4.23Å; F86-L126 HydrophobicContact CE1-CD2 4.33Å; F86-L126 HydrophobicContact CE1-CG 3.99Å; F86-L126 HydrophobicContact CZ-CD1 4.41Å; F86-L126 HydrophobicContact CZ-CD2 3.98Å; F86-L126 HydrophobicContact CZ-CG 4.14Å; F86-Y128 AromaticContact CE2-CE1 3.58Å; F86-Y128 HydrophobicContact CE2-CE1 3.58Å; F86-Y128 AromaticContact CE2-CZ 3.63Å; F86-Y128 VanDerWaalsContact CE2-OH 3.26Å; F86-Y128 WeakPolarHBondContact CE2-OH 3.37Å; F86-Y128 AromaticContact CZ-CE1 3.79Å; F86-Y128 HydrophobicContact CZ-CE1 3.79Å; F86-Y128 HydrophobicContact CZ-CE2 4.27Å; F86-Y128 AromaticContact CZ-CZ 3.58Å; F86-Y128 WeakPolarHBondContact CZ-OH 3.03Å |
| 87 | V | 98 | Very high | 94.8 | Very high | 16 Ų | 16 | 75.2 Ų | 75.2 | 10% | 0.097 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 131.6 | 165.6 | 59.4 | 0 | 0 | 0 | 0 | 108.4 | F70 I71 G72 L89 Y128 | F70-V87 HydrophobicContact CD1-CG1 4.43Å; F70-V87 HydrophobicContact CD1-CG2 4.33Å; F70-V87 HydrophobicContact CE1-CG1 3.95Å; F70-V87 HydrophobicContact CE1-CG2 4.34Å; I71-V87 WeakPolarHBondContact CA-O 3.44Å; G72-V87 VanDerWaalsContact N-CG1 3.34Å; G72-V87 PolarHBondContact N-O 3.16Å; G72-V87 PolarHBondContact O-N 3.01Å; V87-L89 HydrophobicContact CG2-CG 4.33Å; V87-Y128 HydrophobicContact CG1-CD1 4.33Å; V87-Y128 HydrophobicContact CG1-CE1 3.98Å |
| 88 | S | 97.9 | Very high | 94.9 | Very high | 57 Ų | 57 | 77.8 Ų | 77.8 | 40% | 0.399 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 108.4 | -178.1 | -161.6 | 0 | 0 | 0 | 0 | 108.5 | F70 E85 | F70-S88 WeakPolarHBondContact O-CA 3.42Å; E85-S88 WeakPolarHBondContact OE2-CB 3.43Å; E85-S88 PolarHBondContact OE2-OG 3.46Å |
| 89 | L | 98.6 | Very high | 95.1 | Very high | 58 Ų | 58 | 74 Ų | 74 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.7 | 178.8 | -53.5 | 176.9 | 0 | 0 | 0 | 108.6 | E69 F70 V87 F109 V112 | E69-L89 CarbonylContact C-O 3.5Å; E69-L89 WeakPolarHBondContact CA-O 3.26Å; F70-L89 HydrophobicContact CB-CB 4.26Å; F70-L89 HydrophobicContact CD1-CD1 4.43Å; F70-L89 PolarHBondContact N-O 3.25Å; F70-L89 PolarHBondContact O-N 2.99Å; V87-L89 HydrophobicContact CG2-CG 4.33Å; L89-F109 HydrophobicContact CB-CD1 3.74Å; L89-F109 HydrophobicContact CB-CE1 3.76Å; L89-F109 HydrophobicContact CD1-CB 4.18Å; L89-F109 HydrophobicContact CD1-CD1 4.1Å; L89-F109 HydrophobicContact CD1-CG 4.36Å; L89-V112 HydrophobicContact CD1-CB 4.41Å; L89-V112 HydrophobicContact CD1-CG1 3.97Å; L89-V112 HydrophobicContact CD1-CG2 3.99Å |
| 90 | V | 98.7 | Very high | 95.4 | Very high | 77 Ų | 77 | 74.8 Ų | 74.8 | 47% | 0.467 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.1 | -177.1 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | K67 E69 | K67-V90 HydrophobicContact CB-CG1 4.45Å; K67-V90 HydrophobicContact CD-CG1 4.16Å; E69-V90 HydrophobicContact CG-CG1 4.28Å; E69-V90 HydrophobicContact CG-CG2 4.1Å |
| 91 | K | 98.5 | Very high | 96 | Very high | 77 Ų | 77 | 73.5 Ų | 73.5 | 34% | 0.335 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 116 | 169.7 | -169.1 | 173.1 | -171.6 | 171.8 | 0 | 109.7 | K67 I68 L93 F107 F109 | K67-K91 WeakPolarHBondContact CA-O 3.37Å; I68-K91 HydrophobicContact CG2-CB 3.9Å; I68-K91 PolarHBondContact N-O 2.89Å; I68-K91 PolarHBondContact O-N 2.79Å; K91-L93 HydrophobicContact CG-CD2 4.31Å; K91-L93 PolarHBondContact O-N 2.91Å; K91-F107 HydrophobicContact CD-CB 4.14Å; K91-F109 HydrophobicContact CB-CE1 3.85Å; K91-F109 HydrophobicContact CB-CZ 3.92Å |
| 92 | D | 98.5 | Very high | 96.4 | Very high | 128 Ų | 128 | 73.1 Ų | 73.1 | 68% | 0.684 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 124.7 | 171.5 | -64.6 | -42.9 | 0 | 0 | 0 | 109.5 | ||
| 93 | L | 98.3 | Very high | 96.7 | Very high | 28 Ų | 28 | 73.3 Ų | 73.3 | 15% | 0.147 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -31.8 | -177 | -58.8 | -178.8 | 0 | 0 | 0 | 112 | V50 I66 I68 K91 F105 F107 | V50-L93 HydrophobicContact CB-CD1 3.9Å; V50-L93 HydrophobicContact CG2-CD1 3.6Å; I66-L93 HydrophobicContact CB-CB 4.36Å; I66-L93 HydrophobicContact CG2-CB 4.15Å; I66-L93 HydrophobicContact CG2-CD1 4.28Å; I66-L93 WeakPolarHBondContact O-CA 3.47Å; I66-L93 PolarHBondContact O-N 3.3Å; I68-L93 HydrophobicContact CB-CD1 3.93Å; I68-L93 HydrophobicContact CB-CG 4.45Å; I68-L93 HydrophobicContact CG2-CD1 3.83Å; I68-L93 HydrophobicContact CG2-CD2 3.8Å; I68-L93 HydrophobicContact CG2-CG 3.93Å; K91-L93 HydrophobicContact CG-CD2 4.31Å; K91-L93 PolarHBondContact O-N 2.91Å; L93-F105 HydrophobicContact CB-CB 3.92Å; L93-F105 HydrophobicContact CB-CD1 4.29Å; L93-F105 HydrophobicContact CB-CG 4.08Å; L93-F105 HydrophobicContact CD1-CB 3.92Å; L93-F105 HydrophobicContact CD2-CB 4.33Å; L93-F105 HydrophobicContact CG-CB 4.28Å; L93-F107 HydrophobicContact CD2-CB 4.11Å |
| 94 | A | 98.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 71.4 Ų | 71.4 | 20% | 0.198 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 141.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G65 I66 F105 | G65-A94 WeakPolarHBondContact CA-O 3.42Å; I66-A94 HydrophobicContact CB-CB 4.01Å; I66-A94 HydrophobicContact CD1-CB 3.94Å; I66-A94 HydrophobicContact CG1-CB 4.07Å; I66-A94 PolarHBondContact N-O 2.99Å; I66-A94 PolarHBondContact O-N 2.8Å; I66-A94 VanDerWaalsContact O-N 3.13Å; A94-F105 HydrophobicContact CB-CE1 4.04Å; A94-F105 HydrophobicContact CB-CZ 4.21Å |
| 95 | R | 98.1 | Very high | 97 | Very high | 221 Ų | 221 | 71.2 Ų | 71.2 | 83% | 0.834 | 38% | 0.384 | S | S | * | . | trans | -68.4 | 165.1 | 169.4 | -69.3 | -176.9 | -174.4 | 173.6 | 2.4 | 110.8 | H63 G97 | H63-R95 PolarHBondContact CE1-O 2.85Å; R95-G97 PolarHBondContact O-N 3.04Å | ||
| 96 | P | 98.3 | Very high | 97.1 | Very high | 98 Ų | 98 | 72.3 Ų | 72.3 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -47.9 | 135 | 171.2 | -24.4 | 29 | 0 | 0 | 0 | 112.2 | H63 Q64 | H63-P96 WeakPolarHBondContact O-CA 3.46Å; Q64-P96 WeakPolarHBondContact O-CG 3.4Å |
| 97 | G | 96.4 | Very high | 97.1 | Very high | 35 Ų | 35 | 70.3 Ų | 70.3 | 36% | 0.361 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | -160.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | H63 R95 | H63-G97 PolarHBondContact CD2-O 3.06Å; H63-G97 PolarHBondContact N-O 2.82Å; H63-G97 PolarHBondContact O-N 3.36Å; R95-G97 PolarHBondContact O-N 3.04Å |
| 98 | E | 94.8 | Very high | 97.1 | Very high | 94 Ų | 94 | 74.5 Ų | 74.5 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.7 | 178.8 | -70 | 179.8 | -159.1 | 0 | 0 | 110.8 | R60 L61 E62 | R60-E98 WeakPolarHBondContact CD-OE2 3.37Å; R60-E98 IonicContact NH1-OE2 3.5Å; R60-E98 PolarHBondContact NH1-OE2 2.93Å; L61-E98 CarbonylContact O-C 3.41Å; L61-E98 WeakPolarHBondContact O-CA 3.5Å; E62-E98 HydrophobicContact CG-CG 3.88Å |
| 99 | I | 94.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 72.5 Ų | 72.5 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.2 | 168.3 | -50.3 | -68.9 | 0 | 0 | 0 | 108 | L54 L61 I66 Q101 Q103 F105 | L54-I99 HydrophobicContact CD1-CG2 4.31Å; L54-I99 HydrophobicContact CD2-CG2 4.49Å; L61-I99 HydrophobicContact CB-CB 4.2Å; L61-I99 HydrophobicContact CD2-CB 4.48Å; L61-I99 HydrophobicContact CD2-CG1 4.42Å; L61-I99 PolarHBondContact N-O 2.95Å; L61-I99 PolarHBondContact O-N 2.89Å; I66-I99 HydrophobicContact CD1-CD1 3.92Å; I66-I99 HydrophobicContact CD1-CG1 4.33Å; I99-Q101 WeakPolarHBondContact CG2-O 3.45Å; I99-Q103 HydrophobicContact CG2-CG 4.48Å; I99-F105 HydrophobicContact CD1-CZ 4.13Å |
| 100 | T | 93.3 | Very high | 97.1 | Very high | 79 Ų | 79 | 73.2 Ų | 73.2 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | trans | -102 | -19.3 | 179.9 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | R60 | R60-T100 HydrophobicContact CG-CG2 4.1Š| ||
| 101 | Q | 93.2 | Very high | 97 | Very high | 134 Ų | 134 | 76.8 Ų | 76.8 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -138.9 | 152.6 | 179.6 | 64.4 | -176 | -0.9 | 0 | 0 | 110.6 | I99 Q103 | I99-Q101 WeakPolarHBondContact CG2-O 3.45Å; Q101-Q103 PolarHBondContact O-N 2.83Å |
| 102 | S | 94.9 | Very high | 96.9 | Very high | 70 Ų | 70 | 73.1 Ų | 73.1 | 49% | 0.49 | 39% | 0.389 | S | S | . | . | trans | -58.7 | 134.3 | 171.9 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | L52 L54 | L52-S102 WeakPolarHBondContact O-CA 3.48Å; L52-S102 VanDerWaalsContact O-CB 3.26Å; L52-S102 WeakPolarHBondContact O-CB 3.38Å; L54-S102 PolarHBondContact N-OG 2.87Å | ||
| 103 | Q | 95.8 | Very high | 96.9 | Very high | 74 Ų | 74 | 73.7 Ų | 73.7 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 167.6 | -178.1 | 62.3 | -177.9 | -24.6 | 0 | 0 | 111.1 | L52 I99 Q101 F105 | L52-Q103 PolarHBondContact N-O 2.91Å; L52-Q103 PolarHBondContact O-N 2.96Å; L52-Q103 VanDerWaalsContact O-N 3.16Å; I99-Q103 HydrophobicContact CG2-CG 4.48Å; Q101-Q103 PolarHBondContact O-N 2.83Å; Q103-F105 HydrophobicContact CG-CE2 3.95Å; Q103-F105 HydrophobicContact CG-CZ 3.98Å |
| 104 | A | 98.1 | Very high | 96.9 | Very high | 53 Ų | 53 | 72.3 Ų | 72.3 | 44% | 0.438 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 149.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K49 V50 | K49-A104 HydrophobicContact CB-CB 4.42Å; V50-A104 CarbonylContact O-C 3.59Å; V50-A104 VanDerWaalsContact O-CA 3.26Å; V50-A104 WeakPolarHBondContact O-CA 3.41Å |
| 105 | F | 98.5 | Very high | 96.8 | Very high | 31 Ų | 31 | 73.9 Ų | 73.9 | 14% | 0.136 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.6 | 179.2 | -60.4 | -86.8 | 0 | 0 | 0 | 110 | K49 V50 L52 I66 L93 A94 I99 Q103 | K49-F105 CarbonylContact C-O 3.59Å; K49-F105 VanDerWaalsContact CA-O 3.23Å; K49-F105 WeakPolarHBondContact CA-O 3.44Å; V50-F105 PolarHBondContact N-O 3.16Å; V50-F105 PolarHBondContact O-N 2.8Å; L52-F105 HydrophobicContact CD1-CD2 3.84Å; L52-F105 HydrophobicContact CD1-CE2 3.88Å; L52-F105 HydrophobicContact CD2-CE2 4.31Å; I66-F105 HydrophobicContact CD1-CE2 3.78Å; I66-F105 HydrophobicContact CD1-CZ 3.97Å; L93-F105 HydrophobicContact CB-CB 3.92Å; L93-F105 HydrophobicContact CB-CD1 4.29Å; L93-F105 HydrophobicContact CB-CG 4.08Å; L93-F105 HydrophobicContact CD1-CB 3.92Å; L93-F105 HydrophobicContact CD2-CB 4.33Å; L93-F105 HydrophobicContact CG-CB 4.28Å; A94-F105 HydrophobicContact CB-CE1 4.04Å; A94-F105 HydrophobicContact CB-CZ 4.21Å; I99-F105 HydrophobicContact CD1-CZ 4.13Å; Q103-F105 HydrophobicContact CG-CE2 3.95Å; Q103-F105 HydrophobicContact CG-CZ 3.98Å |
| 106 | D | 98.6 | Very high | 96.9 | Very high | 114 Ų | 114 | 66 Ų | 66 | 61% | 0.61 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 142.1 | 178.3 | -65.8 | -35.2 | 0 | 0 | 0 | 111.3 | G48 | G48-D106 WeakPolarHBondContact O-CA 3.34Å |
| 107 | F | 98.7 | Very high | 96.9 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 154.4 | 173.6 | 73.7 | -93.5 | 0 | 0 | 0 | 111.4 | I14 L16 V46 S47 G48 K49 V50 I68 K91 L93 F109 L130 | I14-F107 HydrophobicContact CG2-CE1 4.09Å; I14-F107 HydrophobicContact CG2-CZ 4.1Å; L16-F107 HydrophobicContact CD2-CZ 4.4Å; V46-F107 HydrophobicContact CG1-CE2 4.43Å; S47-F107 WeakPolarHBondContact CA-O 3.02Å; S47-F107 WeakPolarHBondContact CB-O 3.35Å; G48-F107 VanDerWaalsContact C-CD1 3.42Å; G48-F107 PolarHBondContact N-O 3.09Å; G48-F107 WeakPolarHBondContact O-CD1 3.22Å; G48-F107 PolarHBondContact O-N 2.77Å; K49-F107 VanDerWaalsContact N-CE1 3.31Å; V50-F107 HydrophobicContact CG2-CD1 3.99Å; V50-F107 HydrophobicContact CG2-CE1 4.18Å; I68-F107 HydrophobicContact CG1-CD1 4.31Å; I68-F107 HydrophobicContact CG1-CD2 4.41Å; I68-F107 HydrophobicContact CG1-CE1 4.47Å; I68-F107 HydrophobicContact CG1-CG 4.28Å; I68-F107 HydrophobicContact CG2-CB 3.66Å; I68-F107 HydrophobicContact CG2-CD1 4.41Å; I68-F107 HydrophobicContact CG2-CD2 4.47Å; I68-F107 HydrophobicContact CG2-CG 3.95Å; K91-F107 HydrophobicContact CD-CB 4.14Å; L93-F107 HydrophobicContact CD2-CB 4.11Å; F107-F109 AromaticContact CD2-CD2 3.94Å; F107-F109 HydrophobicContact CD2-CD2 3.94Å; F107-F109 AromaticContact CD2-CE2 3.83Å; F107-F109 HydrophobicContact CD2-CE2 3.83Å; F107-F109 HydrophobicContact CE2-CD2 4.32Å; F107-F109 HydrophobicContact CE2-CE2 4.32Å; F107-L130 HydrophobicContact CE2-CD1 4.07Å; F107-L130 HydrophobicContact CE2-CD2 4.05Å; F107-L130 HydrophobicContact CZ-CD1 3.79Å; F107-L130 HydrophobicContact CZ-CD2 4.4Å |
| 108 | E | 98.6 | Very high | 97 | Very high | 104 Ų | 104 | 60.5 Ų | 60.5 | 49% | 0.486 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 125.8 | 176.9 | 178.3 | 170.7 | -140.8 | 0 | 0 | 108.2 | T45 T110 | T45-E108 HydrophobicContact CG2-CG 3.79Å; E108-T110 HydrophobicContact CG-CG2 3.87Å |
| 109 | F | 98.5 | Very high | 97.2 | Very high | 15 Ų | 15 | 56.1 Ų | 56.1 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 114.4 | 168.2 | -59.3 | -75 | 0 | 0 | 0 | 107.5 | T45 V46 I68 F70 L89 K91 F107 V112 L130 | T45-F109 CarbonylContact C-O 3.57Å; T45-F109 VanDerWaalsContact CA-O 3.31Å; T45-F109 WeakPolarHBondContact CA-O 3.17Å; T45-F109 WeakPolarHBondContact CG2-O 3.12Å; V46-F109 PolarHBondContact N-O 3.04Å; V46-F109 PolarHBondContact O-N 2.86Å; I68-F109 HydrophobicContact CG1-CE2 4.22Å; I68-F109 HydrophobicContact CG2-CE2 4.22Å; I68-F109 HydrophobicContact CG2-CZ 4.02Å; F70-F109 HydrophobicContact CB-CD2 4.05Å; F70-F109 HydrophobicContact CB-CE2 4.04Å; F70-F109 HydrophobicContact CB-CG 4.44Å; F70-F109 HydrophobicContact CB-CZ 4.42Å; L89-F109 HydrophobicContact CB-CD1 3.74Å; L89-F109 HydrophobicContact CB-CE1 3.76Å; L89-F109 HydrophobicContact CD1-CB 4.18Å; L89-F109 HydrophobicContact CD1-CD1 4.1Å; L89-F109 HydrophobicContact CD1-CG 4.36Å; K91-F109 HydrophobicContact CB-CE1 3.85Å; K91-F109 HydrophobicContact CB-CZ 3.92Å; F107-F109 AromaticContact CD2-CD2 3.94Å; F107-F109 HydrophobicContact CD2-CD2 3.94Å; F107-F109 AromaticContact CD2-CE2 3.83Å; F107-F109 HydrophobicContact CD2-CE2 3.83Å; F107-F109 HydrophobicContact CE2-CD2 4.32Å; F107-F109 HydrophobicContact CE2-CE2 4.32Å; F109-V112 HydrophobicContact CB-CG2 3.46Å; F109-V112 VanDerWaalsContact CB-CG2 3.46Å; F109-V112 VanDerWaalsContact O-CG2 3.29Å; F109-V112 WeakPolarHBondContact O-CG2 3.21Å; F109-L130 HydrophobicContact CD2-CD2 4.38Å; F109-L130 HydrophobicContact CE2-CD2 4.03Å |
| 110 | T | 97.8 | Very high | 97.4 | Very high | 73 Ų | 73 | 57.3 Ų | 57.3 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | trans | -94.8 | 156 | 178.2 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | T45 E108 V112 | T45-T110 HydrophobicContact CG2-CG2 4.29Å; E108-T110 HydrophobicContact CG-CG2 3.87Å; T110-V112 PolarHBondContact O-N 2.84Å | ||
| 111 | H | 95.4 | Very high | 97.5 | Very high | 152 Ų | 152 | 54.2 Ų | 54.2 | 70% | 0.704 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 52 | 41.7 | 175.7 | -50.9 | 95.7 | 0 | 0 | 0 | 113.4 | G43 E113 | G43-H111 WeakPolarHBondContact O-CA 3.41Å; H111-E113 PolarHBondContact O-N 3.46Å |
| 112 | V | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | trans | -73.1 | 116.8 | -173.4 | -177 | 0 | 0 | 0 | 0 | 109.8 | G43 V46 F70 L89 F109 T110 K114 | G43-V112 WeakPolarHBondContact CA-O 3.38Å; G43-V112 PolarHBondContact N-O 2.81Å; G43-V112 VanDerWaalsContact N-O 3.11Å; V46-V112 HydrophobicContact CB-CG2 4.46Å; V46-V112 HydrophobicContact CG2-CB 4.42Å; V46-V112 HydrophobicContact CG2-CG2 4.12Å; F70-V112 HydrophobicContact CD1-CG1 3.51Å; F70-V112 HydrophobicContact CD2-CG1 4.31Å; F70-V112 HydrophobicContact CE1-CG1 3.23Å; F70-V112 HydrophobicContact CE2-CG1 4.06Å; F70-V112 HydrophobicContact CG-CG1 4.07Å; F70-V112 HydrophobicContact CZ-CG1 3.54Å; L89-V112 HydrophobicContact CD1-CB 4.41Å; L89-V112 HydrophobicContact CD1-CG1 3.97Å; L89-V112 HydrophobicContact CD1-CG2 3.99Å; F109-V112 HydrophobicContact CB-CG2 3.46Å; F109-V112 VanDerWaalsContact CB-CG2 3.46Å; F109-V112 VanDerWaalsContact O-CG2 3.29Å; F109-V112 WeakPolarHBondContact O-CG2 3.21Å; T110-V112 PolarHBondContact O-N 2.84Å; V112-K114 HydrophobicContact CG1-CG 4.18Å; V112-K114 PolarHBondContact O-N 2.9Å; V112-K114 PolarHBondContact O-NZ 3.27Å | ||
| 113 | E | 97.5 | Very high | 97.7 | Very high | 139 Ų | 139 | 51.9 Ų | 51.9 | 65% | 0.65 | 27% | 0.27 | S | S | * | . | trans | -68.5 | 125.4 | 175 | -64.9 | -171.4 | 170.1 | 0 | 0 | 111 | D42 H111 | D42-E113 WeakPolarHBondContact OD1-CA 3.43Å; H111-E113 PolarHBondContact O-N 3.46Å | ||
| 114 | K | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -135.8 | 65.5 | 178 | -50.3 | 174.4 | -148.9 | 67.8 | 0 | 108.6 | F40 Y41 D42 E44 F70 V112 Y116 Y128 V149 | F40-K114 HydrophobicContact CB-CD 4.12Å; Y41-K114 WeakPolarHBondContact O-CD 3.42Å; Y41-K114 WeakPolarHBondContact O-CE 3.5Å; Y41-K114 PolarHBondContact O-NZ 3.35Å; D42-K114 PolarHBondContact OD1-N 2.87Å; E44-K114 PolarHBondContact O-NZ 2.98Å; F70-K114 HydrophobicContact CE1-CG 4.47Å; F70-K114 HydrophobicContact CZ-CD 4.1Å; F70-K114 HydrophobicContact CZ-CG 4.02Å; V112-K114 HydrophobicContact CG1-CG 4.18Å; V112-K114 PolarHBondContact O-N 2.9Å; V112-K114 PolarHBondContact O-NZ 3.27Å; K114-Y116 PolarHBondContact O-N 3.17Å; K114-Y128 HydrophobicContact CB-CE1 4.01Å; K114-Y128 HydrophobicContact CG-CE1 4.25Å; K114-V149 HydrophobicContact CB-CG1 3.76Å; K114-V149 HydrophobicContact CB-CG2 4.03Å; K114-V149 HydrophobicContact CD-CG1 4.5Å; K114-V149 HydrophobicContact CD-CG2 3.71Å; K114-V149 HydrophobicContact CG-CG2 4.26Å | ||
| 115 | P | 97.4 | Very high | 97.7 | Very high | 57 Ų | 57 | 47 Ų | 47 | 37% | 0.37 | 24% | 0.238 | S | C | . | . | trans | -68.8 | -10.2 | -165.9 | 26.8 | -36.4 | 0 | 0 | 0 | 114.7 | F86 | F86-P115 HydrophobicContact CD2-CG 4.43Š| ||
| 116 | Y | 98.4 | Very high | 97.7 | Very high | 56 Ų | 56 | 45.6 Ų | 45.6 | 22% | 0.22 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -129.1 | 145.4 | -172.4 | -50.9 | -53.9 | 0 | 0 | 0 | 111.3 | F86 K114 L126 Y128 V149 I262 N263 | F86-Y116 HydrophobicContact CD1-CD2 4.38Å; F86-Y116 HydrophobicContact CD1-CE2 4.47Å; F86-Y116 AromaticContact CD2-CD2 4Å; F86-Y116 HydrophobicContact CD2-CD2 4Å; F86-Y116 HydrophobicContact CD2-CE2 4.06Å; F86-Y116 HydrophobicContact CE1-CD2 4.21Å; F86-Y116 AromaticContact CE2-CD2 3.85Å; F86-Y116 HydrophobicContact CE2-CD2 3.85Å; F86-Y116 HydrophobicContact CE2-CE2 4.39Å; F86-Y116 HydrophobicContact CG-CD2 4.28Å; F86-Y116 HydrophobicContact CG-CE2 4.12Å; F86-Y116 AromaticContact CZ-CD2 3.96Å; F86-Y116 HydrophobicContact CZ-CD2 3.96Å; K114-Y116 PolarHBondContact O-N 3.17Å; Y116-L126 HydrophobicContact CD2-CD1 4.09Å; Y116-L126 HydrophobicContact CG-CD1 4.05Å; Y116-Y128 PolarHBondContact N-OH 2.8Å; Y116-Y128 VanDerWaalsContact O-CE2 3.29Å; Y116-Y128 WeakPolarHBondContact O-CE2 3.44Å; Y116-Y128 PolarHBondContact O-OH 2.94Å; Y116-V149 WeakPolarHBondContact O-CG1 3.47Å; Y116-I262 HydrophobicContact CD1-CD1 3.91Å; Y116-I262 HydrophobicContact CD1-CG2 3.77Å; Y116-I262 HydrophobicContact CD2-CG2 3.97Å; Y116-I262 HydrophobicContact CE1-CD1 4.37Å; Y116-I262 HydrophobicContact CE1-CG2 4.08Å; Y116-I262 HydrophobicContact CE2-CG2 4.28Å; Y116-I262 HydrophobicContact CG-CG2 3.71Å; Y116-N263 HydrophobicContact CE2-CB 4.13Å |
| 117 | E | 98.6 | Very high | 97.7 | Very high | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | trans | -75.3 | 138.1 | 172.7 | 174.2 | 153 | 145.1 | 0 | 0 | 110.9 | V149 H150 T151 P257 M259 R294 | E117-V149 WeakPolarHBondContact CA-O 3.44Å; E117-V149 WeakPolarHBondContact CG-O 3.29Å; E117-H150 IonicContact OE1-CD2 3.17Å; E117-H150 WeakPolarHBondContact OE2-CA 3.33Å; E117-H150 IonicContact OE2-CD2 3.75Å; E117-T151 PolarHBondContact N-OG1 3.09Å; E117-T151 PolarHBondContact OE2-N 2.91Å; E117-P257 WeakPolarHBondContact OE1-CD 3.4Å; E117-P257 WeakPolarHBondContact OE1-CG 3.4Å; E117-M259 HydrophobicContact CB-CE 3.98Å; E117-M259 HydrophobicContact CG-CE 3.97Å; E117-R294 IonicContact OE1-CZ 3.83Å; E117-R294 VanDerWaalsContact OE1-CZ 3.26Å; E117-R294 IonicContact OE1-NE 3.05Å; E117-R294 PolarHBondContact OE1-NE 2.97Å; E117-R294 IonicContact OE1-NH2 3.44Å; E117-R294 PolarHBondContact OE1-NH2 3.14Å; E117-R294 IonicContact OE2-CZ 3.71Å; E117-R294 IonicContact OE2-NE 2.83Å; E117-R294 PolarHBondContact OE2-NE 2.96Å | ||
| 118 | S | 98.7 | Very high | 97.7 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | trans | -56.1 | 137.4 | 175.1 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | L126 V149 | S118-L126 WeakPolarHBondContact CA-O 3.22Å; S118-V149 PolarHBondContact N-O 2.95Å; S118-V149 PolarHBondContact OG-N 2.84Å | ||
| 119 | Y | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 131.2 | -175.8 | -178.3 | -109.5 | 0 | 0 | 0 | 111.1 | G121 V124 K125 L126 K211 E213 T256 M259 F266 V268 | Y119-G121 WeakPolarHBondContact OH-CA 3.43Å; Y119-V124 HydrophobicContact CD1-CG1 4.03Å; Y119-V124 HydrophobicContact CE1-CG1 3.77Å; Y119-K125 CarbonylContact O-C 3.55Å; Y119-K125 WeakPolarHBondContact O-CA 3.47Å; Y119-L126 PolarHBondContact N-O 3.11Å; Y119-L126 PolarHBondContact O-N 2.91Å; Y119-K211 WeakPolarHBondContact OH-CE 3.44Å; Y119-K211 PolarHBondContact OH-NZ 3.32Å; Y119-E213 WeakPolarHBondContact CE1-OE2 3.43Å; Y119-E213 PolarHBondContact OH-OE2 3.39Å; Y119-T256 HydrophobicContact CD2-CG2 4.25Å; Y119-T256 HydrophobicContact CE2-CG2 4.36Å; Y119-M259 HydrophobicContact CD2-CE 4.01Å; Y119-M259 HydrophobicContact CD2-SD 4.15Å; Y119-M259 HydrophobicContact CG-CE 4.24Å; Y119-M259 HydrophobicContact CG-SD 4.02Å; Y119-F266 HydrophobicContact CD1-CD2 4.39Å; Y119-F266 AromaticContact CD1-CE2 3.67Å; Y119-F266 HydrophobicContact CD1-CE2 3.67Å; Y119-F266 HydrophobicContact CD1-CZ 4.18Å; Y119-F266 HydrophobicContact CE1-CD2 4.5Å; Y119-F266 HydrophobicContact CE1-CE2 4.16Å; Y119-F266 HydrophobicContact CG-CE2 4.27Å; Y119-V268 HydrophobicContact CD1-CG2 4.24Å; Y119-V268 HydrophobicContact CD2-CG2 4.3Å; Y119-V268 HydrophobicContact CE1-CG2 3.67Å; Y119-V268 HydrophobicContact CE2-CG1 4.28Å; Y119-V268 HydrophobicContact CE2-CG2 3.75Å; Y119-V268 VanDerWaalsContact CZ-CG2 3.42Å |
| 120 | T | 98.1 | Very high | 97.7 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 17% | 0.172 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 107.9 | 168 | -51.1 | 0 | 0 | 0 | 0 | 107.7 | H27 K28 E30 | H27-T120 PolarHBondContact NE2-OG1 2.81Å; K28-T120 WeakPolarHBondContact O-CB 3.3Å; K28-T120 PolarHBondContact O-OG1 3.15Å; E30-T120 HydrophobicContact CG-CG2 3.93Å |
| 121 | G | 96.4 | Very high | 97.8 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 16% | 0.155 | 17% | 0.171 | C | C | . | . | trans | -105.7 | -168.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y119 V124 E213 | Y119-G121 WeakPolarHBondContact OH-CA 3.43Å; G121-V124 VanDerWaalsContact CA-O 3.25Å; G121-V124 WeakPolarHBondContact CA-O 3.07Å; G121-V124 PolarHBondContact N-O 3.28Å; G121-E213 WeakPolarHBondContact CA-OE2 3.43Å | ||
| 122 | Q | 95.6 | Very high | 97.9 | Very high | 125 Ų | 125 | 28.1 Ų | 28.1 | 58% | 0.584 | 14% | 0.138 | S | C | * | . | S | Bend | trans | -82.2 | -40.1 | 178.3 | -176.9 | 60.8 | 40.1 | 0 | 0 | 111.7 | Y77 E213 E224 | Y77-Q122 WeakPolarHBondContact CD2-O 3.06Å; Y77-Q122 VanDerWaalsContact CE2-O 3.32Å; Y77-Q122 WeakPolarHBondContact CE2-O 3.26Å; Q122-E213 PolarHBondContact N-OE1 2.71Å; Q122-E213 PolarHBondContact N-OE2 3.44Å; Q122-E224 HydrophobicContact CB-CB 4.3Å; Q122-E224 HydrophobicContact CB-CG 3.97Å; Q122-E224 HydrophobicContact CG-CB 4.43Å; Q122-E224 HydrophobicContact CG-CG 3.8Å |
| 123 | N | 95.7 | Very high | 98 | Very high | 29 Ų | 29 | 28.4 Ų | 28.4 | 16% | 0.155 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -119.5 | -2.9 | -177.9 | -71.6 | -34.8 | 0 | 0 | 0 | 113.4 | Y77 E213 T215 E224 | Y77-N123 PolarHBondContact N-O 3.27Å; N123-E213 WeakPolarHBondContact CA-OE1 3.09Å; N123-E213 WeakPolarHBondContact CB-OE1 3.32Å; N123-E213 PolarHBondContact N-OE1 3.31Å; N123-T215 HydrophobicContact CB-CG2 4.37Å; N123-E224 WeakPolarHBondContact ND2-CG 3.37Å; N123-E224 PolarHBondContact ND2-OE1 3.17Å |
| 124 | V | 97.2 | Very high | 98 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 147.2 | -177.2 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | I74 E75 L76 Y119 G121 E213 T215 F266 | I74-V124 HydrophobicContact CG2-CG2 3.54Å; E75-V124 CarbonylContact O-C 3.08Å; E75-V124 WeakPolarHBondContact O-CA 3.34Å; L76-V124 HydrophobicContact CD2-CB 4.17Å; L76-V124 HydrophobicContact CD2-CG2 3.72Å; Y119-V124 HydrophobicContact CD1-CG1 4.03Å; Y119-V124 HydrophobicContact CE1-CG1 3.77Å; G121-V124 VanDerWaalsContact CA-O 3.25Å; G121-V124 WeakPolarHBondContact CA-O 3.07Å; G121-V124 PolarHBondContact N-O 3.28Å; V124-E213 HydrophobicContact CG1-CG 4.3Å; V124-T215 HydrophobicContact CB-CG2 3.87Å; V124-T215 HydrophobicContact CG1-CG2 4.45Å; V124-F266 HydrophobicContact CB-CG 4.41Å; V124-F266 HydrophobicContact CG1-CB 4.06Å; V124-F266 HydrophobicContact CG1-CD1 4.33Å; V124-F266 HydrophobicContact CG1-CD2 3.76Å; V124-F266 HydrophobicContact CG1-CE2 4.27Å; V124-F266 HydrophobicContact CG1-CG 3.8Å; V124-F266 HydrophobicContact CG2-CB 4.35Å; V124-F266 HydrophobicContact CG2-CD1 3.69Å; V124-F266 HydrophobicContact CG2-CE1 4.07Å; V124-F266 HydrophobicContact CG2-CG 3.97Å |
| 125 | K | 97.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 23.2 Ų | 23.2 | 11% | 0.113 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.1 | 168.6 | -179.9 | 177.6 | -179.1 | -167.6 | 0 | 110.4 | E30 I74 E75 Y77 Y119 R127 | E30-K125 HydrophobicContact CG-CD 4.24Å; E30-K125 WeakPolarHBondContact OE1-CD 3.49Å; E30-K125 WeakPolarHBondContact OE1-CE 3.25Å; E30-K125 IonicContact OE1-NZ 3.8Å; E30-K125 PolarHBondContact OE1-NZ 3.06Å; I74-K125 CarbonylContact C-O 3.5Å; I74-K125 WeakPolarHBondContact CA-O 3.26Å; E75-K125 HydrophobicContact CB-CB 4.32Å; E75-K125 PolarHBondContact N-O 2.98Å; E75-K125 PolarHBondContact O-N 3.06Å; Y77-K125 HydrophobicContact CE1-CB 4.09Å; Y119-K125 CarbonylContact O-C 3.55Å; Y119-K125 WeakPolarHBondContact O-CA 3.47Å; K125-R127 HydrophobicContact CG-CB 4.37Å |
| 126 | L | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 114.7 | 168.6 | -170.5 | 160.3 | 0 | 0 | 0 | 107.7 | Q73 I74 F86 Y116 S118 Y119 Y128 I262 F266 | Q73-L126 WeakPolarHBondContact O-CA 3.43Å; I74-L126 HydrophobicContact CD1-CD1 4.35Å; I74-L126 HydrophobicContact CG1-CB 4.46Å; I74-L126 HydrophobicContact CG1-CD1 4.06Å; I74-L126 HydrophobicContact CG1-CG 4.12Å; F86-L126 HydrophobicContact CE1-CD1 4.23Å; F86-L126 HydrophobicContact CE1-CD2 4.33Å; F86-L126 HydrophobicContact CE1-CG 3.99Å; F86-L126 HydrophobicContact CZ-CD1 4.41Å; F86-L126 HydrophobicContact CZ-CD2 3.98Å; F86-L126 HydrophobicContact CZ-CG 4.14Å; Y116-L126 HydrophobicContact CD2-CD1 4.09Å; Y116-L126 HydrophobicContact CG-CD1 4.05Å; S118-L126 WeakPolarHBondContact CA-O 3.22Å; Y119-L126 PolarHBondContact N-O 3.11Å; Y119-L126 PolarHBondContact O-N 2.91Å; L126-Y128 HydrophobicContact CD2-CD2 4.08Å; L126-Y128 HydrophobicContact CD2-CE2 3.42Å; L126-Y128 VanDerWaalsContact CD2-CE2 3.42Å; L126-I262 HydrophobicContact CD1-CG2 3.58Å; L126-F266 HydrophobicContact CB-CE1 4.3Å; L126-F266 HydrophobicContact CB-CZ 4.16Å; L126-F266 HydrophobicContact CD1-CE1 3.98Å; L126-F266 HydrophobicContact CD1-CZ 4Å |
| 127 | R | 98.3 | Very high | 97.4 | Very high | 37 Ų | 37 | 32.5 Ų | 32.5 | 14% | 0.14 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 158.4 | -177.6 | 71.3 | -175.8 | -66.7 | -149.6 | -14.9 | 111.5 | G72 Q73 E75 K125 F129 E144 D146 | G72-R127 WeakPolarHBondContact CA-O 3.36Å; Q73-R127 HydrophobicContact CG-CG 4.29Å; Q73-R127 PolarHBondContact N-O 3.49Å; Q73-R127 PolarHBondContact O-N 3.3Å; Q73-R127 VanDerWaalsContact O-N 3.16Å; E75-R127 WeakPolarHBondContact OE1-CD 3.32Å; E75-R127 IonicContact OE1-NH1 2.63Å; K125-R127 HydrophobicContact CG-CB 4.37Å; R127-F129 HydrophobicContact CG-CD1 3.99Å; R127-F129 HydrophobicContact CG-CE1 4.21Å; R127-E144 IonicContact CZ-OE2 2.73Å; R127-E144 IonicContact NH1-OE2 3.67Å; R127-E144 IonicContact NH2-OE2 3.48Å; R127-E144 PolarHBondContact NH2-OE2 2.96Å; R127-E144 VanDerWaalsContact NH2-OE2 3.09Å; R127-D146 IonicContact CZ-OD1 2.99Å; R127-D146 IonicContact CZ-OD2 2.86Å; R127-D146 IonicContact NE-OD1 3.91Å; R127-D146 PolarHBondContact NE-OD1 3.22Å; R127-D146 IonicContact NE-OD2 2.73Å; R127-D146 IonicContact NH2-OD1 3.85Å; R127-D146 PolarHBondContact NH2-OD1 3.43Å; R127-D146 IonicContact NH2-OD2 3.47Å; R127-D146 PolarHBondContact NH2-OD2 3.09Å; R127-D146 VanDerWaalsContact NH2-OD2 3.16Å |
| 128 | Y | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.5 | 172.1 | -65 | -94.7 | 0 | 0 | 0 | 108.7 | F70 I71 F86 V87 K114 Y116 L126 I147 V149 | F70-Y128 HydrophobicContact CE1-CD1 4.01Å; F70-Y128 AromaticContact CZ-CD1 3.8Å; F70-Y128 HydrophobicContact CZ-CD1 3.8Å; I71-Y128 CarbonylContact O-C 3.55Å; I71-Y128 VanDerWaalsContact O-CA 3.26Å; I71-Y128 WeakPolarHBondContact O-CA 3.35Å; F86-Y128 AromaticContact CE2-CE1 3.58Å; F86-Y128 HydrophobicContact CE2-CE1 3.58Å; F86-Y128 AromaticContact CE2-CZ 3.63Å; F86-Y128 VanDerWaalsContact CE2-OH 3.26Å; F86-Y128 WeakPolarHBondContact CE2-OH 3.37Å; F86-Y128 AromaticContact CZ-CE1 3.79Å; F86-Y128 HydrophobicContact CZ-CE1 3.79Å; F86-Y128 HydrophobicContact CZ-CE2 4.27Å; F86-Y128 AromaticContact CZ-CZ 3.58Å; F86-Y128 WeakPolarHBondContact CZ-OH 3.03Å; V87-Y128 HydrophobicContact CG1-CD1 4.33Å; V87-Y128 HydrophobicContact CG1-CE1 3.98Å; K114-Y128 HydrophobicContact CB-CE1 4.01Å; K114-Y128 HydrophobicContact CG-CE1 4.25Å; Y116-Y128 PolarHBondContact N-OH 2.8Å; Y116-Y128 VanDerWaalsContact O-CE2 3.29Å; Y116-Y128 WeakPolarHBondContact O-CE2 3.44Å; Y116-Y128 PolarHBondContact O-OH 2.94Å; L126-Y128 HydrophobicContact CD2-CD2 4.08Å; L126-Y128 HydrophobicContact CD2-CE2 3.42Å; L126-Y128 VanDerWaalsContact CD2-CE2 3.42Å; Y128-I147 PolarHBondContact O-N 3.25Å; Y128-V149 HydrophobicContact CD1-CG2 4.21Å; Y128-V149 HydrophobicContact CD2-CB 3.81Å; Y128-V149 HydrophobicContact CD2-CG2 3.37Å; Y128-V149 HydrophobicContact CE1-CG2 4.41Å; Y128-V149 HydrophobicContact CE2-CB 3.71Å; Y128-V149 HydrophobicContact CE2-CG1 4.31Å; Y128-V149 HydrophobicContact CE2-CG2 3.64Å; Y128-V149 HydrophobicContact CG-CG2 3.68Å |
| 129 | F | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 157.1 | 179.3 | 57.9 | -82.4 | 0 | 0 | 0 | 112.4 | I71 Q73 R127 R131 E144 M145 D146 | I71-F129 HydrophobicContact CB-CE1 4.07Å; I71-F129 HydrophobicContact CB-CE2 4.08Å; I71-F129 HydrophobicContact CB-CZ 3.81Å; I71-F129 HydrophobicContact CD1-CE2 3.83Å; I71-F129 HydrophobicContact CD1-CZ 3.99Å; I71-F129 HydrophobicContact CG1-CE2 4.49Å; I71-F129 HydrophobicContact CG2-CE1 3.89Å; I71-F129 HydrophobicContact CG2-CE2 4.49Å; I71-F129 HydrophobicContact CG2-CZ 3.75Å; I71-F129 PolarHBondContact N-O 3.34Å; I71-F129 PolarHBondContact O-N 3.01Å; Q73-F129 HydrophobicContact CG-CE1 4.01Å; R127-F129 HydrophobicContact CG-CD1 3.99Å; R127-F129 HydrophobicContact CG-CE1 4.21Å; F129-R131 HydrophobicContact CD2-CB 4.05Å; F129-R131 HydrophobicContact CE2-CB 3.98Å; F129-E144 HydrophobicContact CD2-CB 4.32Å; F129-E144 HydrophobicContact CD2-CG 3.92Å; F129-E144 HydrophobicContact CE2-CG 4.16Å; F129-E144 WeakPolarHBondContact CE2-OE1 3.31Å; F129-M145 VanDerWaalsContact CA-O 3.31Å; F129-M145 WeakPolarHBondContact CA-O 3.08Å; F129-M145 WeakPolarHBondContact CB-O 3.48Å; F129-D146 WeakPolarHBondContact CB-OD1 3.1Å |
| 130 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.7 | 165.1 | -74 | 166.5 | 0 | 0 | 0 | 108.9 | I14 L16 V46 I68 E69 F70 F107 F109 E144 M145 | I14-L130 HydrophobicContact CD1-CB 3.94Å; I14-L130 WeakPolarHBondContact CD1-O 3.35Å; I14-L130 HydrophobicContact CG2-CB 4.21Å; I14-L130 HydrophobicContact CG2-CD1 3.89Å; L16-L130 HydrophobicContact CD2-CD1 3.77Å; V46-L130 HydrophobicContact CG1-CD1 3.87Å; V46-L130 HydrophobicContact CG1-CD2 4.09Å; V46-L130 HydrophobicContact CG1-CG 4.3Å; I68-L130 HydrophobicContact CD1-CB 4.09Å; I68-L130 HydrophobicContact CD1-CD2 4.28Å; I68-L130 HydrophobicContact CG1-CD2 4.19Å; E69-L130 CarbonylContact O-C 3.53Å; E69-L130 VanDerWaalsContact O-CA 3.26Å; E69-L130 WeakPolarHBondContact O-CA 3.29Å; F70-L130 HydrophobicContact CB-CD2 4.12Å; F70-L130 HydrophobicContact CD2-CD2 4.1Å; F107-L130 HydrophobicContact CE2-CD1 4.07Å; F107-L130 HydrophobicContact CE2-CD2 4.05Å; F107-L130 HydrophobicContact CZ-CD1 3.79Å; F107-L130 HydrophobicContact CZ-CD2 4.4Å; F109-L130 HydrophobicContact CD2-CD2 4.38Å; F109-L130 HydrophobicContact CE2-CD2 4.03Å; L130-E144 CarbonylContact O-C 3.57Å; L130-E144 VanDerWaalsContact O-CA 3.27Å; L130-E144 WeakPolarHBondContact O-CA 3.46Å; L130-M145 HydrophobicContact CD1-CE 3.64Å; L130-M145 PolarHBondContact N-O 2.8Å; L130-M145 PolarHBondContact O-N 2.86Å |
| 131 | R | 98.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 47.4 Ų | 47.4 | 21% | 0.208 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 111.4 | 176.9 | -174 | 167.7 | 66.2 | -158.4 | 1.8 | 110.3 | I68 E69 I71 F129 V142 K143 E144 | I68-R131 CarbonylContact C-O 3.48Å; I68-R131 WeakPolarHBondContact CA-O 3.31Å; I68-R131 WeakPolarHBondContact CD1-O 3.37Å; E69-R131 HydrophobicContact CB-CB 4.36Å; E69-R131 PolarHBondContact N-O 2.8Å; E69-R131 PolarHBondContact O-N 2.91Å; E69-R131 IonicContact OE1-NH2 2.94Å; E69-R131 IonicContact OE2-CZ 2.73Å; E69-R131 IonicContact OE2-NE 3.72Å; E69-R131 PolarHBondContact OE2-NE 3.16Å; E69-R131 IonicContact OE2-NH2 3.88Å; E69-R131 PolarHBondContact OE2-NH2 2.68Å; I71-R131 HydrophobicContact CD1-CB 4.44Å; F129-R131 HydrophobicContact CD2-CB 4.05Å; F129-R131 HydrophobicContact CE2-CB 3.98Å; R131-V142 HydrophobicContact CG-CG1 3.63Å; R131-K143 CarbonylContact C-O 3.55Å; R131-K143 WeakPolarHBondContact CA-O 3.4Å; R131-E144 HydrophobicContact CB-CG 4.23Å; R131-E144 HydrophobicContact CG-CG 4Å |
| 132 | A | 98.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | V12 I14 V50 K67 I68 V142 K143 | V12-A132 HydrophobicContact CG1-CB 3.92Å; I14-A132 HydrophobicContact CD1-CB 3.93Å; I14-A132 HydrophobicContact CG1-CB 4.04Å; V50-A132 HydrophobicContact CG1-CB 3.74Å; V50-A132 HydrophobicContact CG2-CB 4.16Å; K67-A132 WeakPolarHBondContact O-CA 3.5Å; I68-A132 HydrophobicContact CD1-CB 3.98Å; A132-V142 WeakPolarHBondContact O-CA 3.19Å; A132-K143 PolarHBondContact N-O 2.83Å; A132-K143 PolarHBondContact O-N 2.93Å |
| 133 | T | 98.6 | Very high | 96.6 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.8 | -179 | -56.3 | 0 | 0 | 0 | 0 | 110 | I66 K67 D140 V141 V142 | I66-T133 WeakPolarHBondContact CA-O 3.48Å; K67-T133 PolarHBondContact N-O 2.84Å; K67-T133 PolarHBondContact O-N 2.77Å; T133-D140 HydrophobicContact CG2-CB 4.19Å; T133-V141 WeakPolarHBondContact CA-O 3.37Å; T133-V142 HydrophobicContact CG2-CG2 4.23Å |
| 134 | I | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 105.8 | 166.6 | -54.2 | 170.7 | 0 | 0 | 0 | 106.6 | V10 V12 L52 L61 H63 I66 R136 D140 V141 | V10-I134 HydrophobicContact CG1-CD1 3.92Å; V10-I134 HydrophobicContact CG2-CD1 4.38Å; V12-I134 HydrophobicContact CG2-CD1 3.57Å; V12-I134 HydrophobicContact CG2-CG1 4.45Å; L52-I134 HydrophobicContact CD2-CD1 3.5Å; L52-I134 VanDerWaalsContact CD2-CD1 3.5Å; L52-I134 HydrophobicContact CD2-CG1 4.24Å; L52-I134 HydrophobicContact CG-CD1 3.97Å; L61-I134 HydrophobicContact CD2-CD1 4.47Å; L61-I134 HydrophobicContact CD2-CG2 4.49Å; H63-I134 HydrophobicContact CB-CG2 3.63Å; I66-I134 HydrophobicContact CG1-CG1 4.31Å; I66-I134 HydrophobicContact CG1-CG2 4.28Å; I66-I134 HydrophobicContact CG2-CG1 4.31Å; I134-R136 HydrophobicContact CG2-CG 4.38Å; I134-D140 WeakPolarHBondContact O-CA 3.33Å; I134-V141 HydrophobicContact CB-CB 4.21Å; I134-V141 HydrophobicContact CD1-CB 4.43Å; I134-V141 PolarHBondContact N-O 3.4Å; I134-V141 PolarHBondContact O-N 2.92Å |
| 135 | S | 97.3 | Very high | 96.8 | Very high | 29 Ų | 29 | 52.7 Ų | 52.7 | 20% | 0.203 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 133.6 | -179 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | H63 Q64 G65 D140 | H63-S135 CarbonylContact C-O 3.48Å; H63-S135 VanDerWaalsContact CA-O 3.31Å; H63-S135 WeakPolarHBondContact CA-O 3.45Å; H63-S135 WeakPolarHBondContact CB-O 3.35Å; Q64-S135 PolarHBondContact N-O 2.92Å; G65-S135 PolarHBondContact O-N 2.82Å; S135-D140 VanDerWaalsContact CA-OD1 3.25Å; S135-D140 WeakPolarHBondContact CA-OD1 3.43Å; S135-D140 PolarHBondContact OG-OD2 2.71Å |
| 136 | R | 94.3 | Very high | 96.9 | Very high | 85 Ų | 85 | 53.5 Ų | 53.5 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | trans | -134.4 | 160.3 | -177.7 | -60.4 | -178.1 | 69.8 | -157.5 | 1.9 | 110.3 | I134 L138 N139 D140 | I134-R136 HydrophobicContact CG2-CG 4.38Å; R136-L138 PolarHBondContact O-N 2.92Å; R136-N139 WeakPolarHBondContact CB-O 3.41Å; R136-N139 WeakPolarHBondContact CD-O 2.93Å; R136-D140 PolarHBondContact N-OD1 2.94Å | ||
| 137 | R | 90.9 | Very high | 96.9 | Very high | 222 Ų | 222 | 53.7 Ų | 53.7 | 84% | 0.838 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -58.8 | -32.3 | 179.4 | -176.1 | 177.9 | 174.4 | -169.8 | -0.5 | 113.9 | ||
| 138 | L | 89.7 | Confident | 96.9 | Very high | 150 Ų | 150 | 52.1 Ų | 52.1 | 79% | 0.785 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -103.5 | -69.8 | -176.1 | -64.6 | 176.2 | 0 | 0 | 0 | 111.7 | R136 | R136-L138 PolarHBondContact O-N 2.92Š|
| 139 | N | 92.2 | Very high | 96.8 | Very high | 127 Ų | 127 | 52.1 Ų | 52.1 | 68% | 0.679 | 25% | 0.248 | S | C | * | . | trans | -134.6 | 127.4 | -178.5 | -64.1 | -49.9 | 0 | 0 | 0 | 109.5 | R136 | R136-N139 WeakPolarHBondContact CB-O 3.41Å; R136-N139 WeakPolarHBondContact CD-O 2.93Å | ||
| 140 | D | 95.3 | Very high | 96.8 | Very high | 75 Ų | 75 | 53.4 Ų | 53.4 | 40% | 0.401 | 25% | 0.254 | S | S | . | . | trans | -64.8 | 145.7 | 174.9 | -73.7 | 8.9 | 0 | 0 | 0 | 110.8 | T133 I134 S135 R136 V142 | T133-D140 HydrophobicContact CG2-CB 4.19Å; I134-D140 WeakPolarHBondContact O-CA 3.33Å; S135-D140 VanDerWaalsContact CA-OD1 3.25Å; S135-D140 WeakPolarHBondContact CA-OD1 3.43Å; S135-D140 PolarHBondContact OG-OD2 2.71Å; R136-D140 PolarHBondContact N-OD1 2.94Å; D140-V142 HydrophobicContact CB-CG2 4.25Å | ||
| 141 | V | 96.1 | Very high | 96.7 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 114.8 | 169.5 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | V10 V12 T133 I134 | V10-V141 HydrophobicContact CG1-CB 4.5Å; V10-V141 HydrophobicContact CG1-CG1 4.22Å; V10-V141 HydrophobicContact CG1-CG2 4.12Å; V12-V141 HydrophobicContact CG2-CG1 3.92Å; T133-V141 WeakPolarHBondContact CA-O 3.37Å; I134-V141 HydrophobicContact CB-CB 4.21Å; I134-V141 HydrophobicContact CD1-CB 4.43Å; I134-V141 PolarHBondContact N-O 3.4Å; I134-V141 PolarHBondContact O-N 2.92Å |
| 142 | V | 97.4 | Very high | 96.4 | Very high | 70 Ų | 70 | 57 Ų | 57 | 42% | 0.424 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 131.9 | -177.5 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | R131 A132 T133 D140 E144 | R131-V142 HydrophobicContact CG-CG1 3.63Å; A132-V142 WeakPolarHBondContact O-CA 3.19Å; T133-V142 HydrophobicContact CG2-CG2 4.23Å; D140-V142 HydrophobicContact CB-CG2 4.25Å; V142-E144 HydrophobicContact CG1-CG 4.5Å |
| 143 | K | 98.3 | Very high | 95.9 | Very high | 98 Ų | 98 | 58.7 Ų | 58.7 | 43% | 0.426 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 127.2 | 171.3 | 179.5 | 68.9 | 167.1 | -175 | 0 | 108.9 | V12 I14 R131 A132 | V12-K143 HydrophobicContact CB-CB 3.97Å; V12-K143 HydrophobicContact CB-CG 4.49Å; V12-K143 HydrophobicContact CG1-CB 3.86Å; V12-K143 HydrophobicContact CG1-CG 4.4Å; V12-K143 WeakPolarHBondContact O-CD 3.46Å; V12-K143 WeakPolarHBondContact O-CE 3.36Å; V12-K143 WeakPolarHBondContact O-CG 3.46Å; I14-K143 HydrophobicContact CD1-CG 4.47Å; I14-K143 HydrophobicContact CG1-CG 4.37Å; R131-K143 CarbonylContact C-O 3.55Å; R131-K143 WeakPolarHBondContact CA-O 3.4Å; A132-K143 PolarHBondContact N-O 2.83Å; A132-K143 PolarHBondContact O-N 2.93Å |
| 144 | E | 98.4 | Very high | 95.3 | Very high | 78 Ų | 78 | 64.5 Ų | 64.5 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 148.1 | 172.9 | -66.7 | -174.4 | 177 | 0 | 0 | 111 | R127 F129 L130 R131 V142 | R127-E144 IonicContact CZ-OE2 2.73Å; R127-E144 IonicContact NH1-OE2 3.67Å; R127-E144 IonicContact NH2-OE2 3.48Å; R127-E144 PolarHBondContact NH2-OE2 2.96Å; R127-E144 VanDerWaalsContact NH2-OE2 3.09Å; F129-E144 HydrophobicContact CD2-CB 4.32Å; F129-E144 HydrophobicContact CD2-CG 3.92Å; F129-E144 HydrophobicContact CE2-CG 4.16Å; F129-E144 WeakPolarHBondContact CE2-OE1 3.31Å; L130-E144 CarbonylContact O-C 3.57Å; L130-E144 VanDerWaalsContact O-CA 3.27Å; L130-E144 WeakPolarHBondContact O-CA 3.46Å; R131-E144 HydrophobicContact CB-CG 4.23Å; R131-E144 HydrophobicContact CG-CG 4Å; V142-E144 HydrophobicContact CG1-CG 4.5Å |
| 145 | M | 98.3 | Very high | 94.4 | Very high | 34 Ų | 34 | 68.8 Ų | 68.8 | 17% | 0.167 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 111.3 | 169.2 | -179.8 | 179 | 70.2 | 0 | 0 | 109 | I14 L16 F38 F129 L130 | I14-M145 HydrophobicContact CB-CB 4.33Å; I14-M145 HydrophobicContact CB-CE 4.11Å; I14-M145 HydrophobicContact CB-SD 4.27Å; I14-M145 HydrophobicContact CD1-CB 4.13Å; I14-M145 HydrophobicContact CG2-CE 3.59Å; I14-M145 HydrophobicContact CG2-SD 4.4Å; L16-M145 HydrophobicContact CD1-CE 4.16Å; L16-M145 HydrophobicContact CD2-CE 3.86Å; L16-M145 HydrophobicContact CG-CE 3.76Å; F38-M145 HydrophobicContact CD2-SD 4.46Å; F38-M145 HydrophobicContact CE2-SD 4.31Å; F129-M145 VanDerWaalsContact CA-O 3.31Å; F129-M145 WeakPolarHBondContact CA-O 3.08Å; F129-M145 WeakPolarHBondContact CB-O 3.48Å; L130-M145 HydrophobicContact CD1-CE 3.64Å; L130-M145 PolarHBondContact N-O 2.8Å; L130-M145 PolarHBondContact O-N 2.86Å |
| 146 | D | 98.4 | Very high | 93.3 | Very high | 44 Ų | 44 | 72.3 Ų | 72.3 | 24% | 0.235 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 144 | 175.7 | -81.7 | -35 | 0 | 0 | 0 | 112.1 | Y37 R127 F129 | Y37-D146 HydrophobicContact CD1-CB 3.78Å; Y37-D146 HydrophobicContact CE1-CB 3.82Å; R127-D146 IonicContact CZ-OD1 2.99Å; R127-D146 IonicContact CZ-OD2 2.86Å; R127-D146 IonicContact NE-OD1 3.91Å; R127-D146 PolarHBondContact NE-OD1 3.22Å; R127-D146 IonicContact NE-OD2 2.73Å; R127-D146 IonicContact NH2-OD1 3.85Å; R127-D146 PolarHBondContact NH2-OD1 3.43Å; R127-D146 IonicContact NH2-OD2 3.47Å; R127-D146 PolarHBondContact NH2-OD2 3.09Å; R127-D146 VanDerWaalsContact NH2-OD2 3.16Å; F129-D146 WeakPolarHBondContact CB-OD1 3.1Å |
| 147 | I | 98.4 | Very high | 92 | Very high | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 161.1 | 167.5 | 67.2 | 169 | 0 | 0 | 0 | 109.3 | F38 F40 F70 Y128 | F38-I147 HydrophobicContact CB-CG2 4.37Å; F40-I147 HydrophobicContact CB-CD1 4.43Å; F40-I147 HydrophobicContact CD2-CB 4.02Å; F40-I147 HydrophobicContact CD2-CD1 3.68Å; F40-I147 HydrophobicContact CD2-CG1 4.4Å; F40-I147 HydrophobicContact CD2-CG2 4.23Å; F40-I147 HydrophobicContact CE2-CB 4.28Å; F40-I147 HydrophobicContact CE2-CD1 4.13Å; F40-I147 HydrophobicContact CE2-CG2 3.96Å; F40-I147 HydrophobicContact CG-CD1 4.15Å; F70-I147 HydrophobicContact CE2-CD1 3.58Å; F70-I147 HydrophobicContact CZ-CD1 4.17Å; Y128-I147 PolarHBondContact O-N 3.25Å |
| 148 | V | 98.6 | Very high | 91 | Very high | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.024 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.2 | 176 | 169 | 0 | 0 | 0 | 0 | 109.3 | A25 H27 Y37 F38 L39 F40 | A25-V148 HydrophobicContact CB-CB 4.45Å; A25-V148 HydrophobicContact CB-CG1 4.08Å; H27-V148 HydrophobicContact CB-CG2 3.67Å; Y37-V148 HydrophobicContact CD2-CG2 3.77Å; Y37-V148 HydrophobicContact CG-CG2 3.94Å; F38-V148 PolarHBondContact O-N 3.2Å; L39-V148 WeakPolarHBondContact CA-O 3.47Å; L39-V148 HydrophobicContact CD1-CG1 4.26Å; F40-V148 PolarHBondContact N-O 3.11Å |
| 149 | V | 98.5 | Very high | 90 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 132.1 | 174.7 | 176.5 | 0 | 0 | 0 | 0 | 108.7 | F40 K114 Y116 E117 S118 Y128 | F40-V149 WeakPolarHBondContact O-CA 3.49Å; K114-V149 HydrophobicContact CB-CG1 3.76Å; K114-V149 HydrophobicContact CB-CG2 4.03Å; K114-V149 HydrophobicContact CD-CG1 4.5Å; K114-V149 HydrophobicContact CD-CG2 3.71Å; K114-V149 HydrophobicContact CG-CG2 4.26Å; Y116-V149 WeakPolarHBondContact O-CG1 3.47Å; E117-V149 WeakPolarHBondContact CA-O 3.44Å; E117-V149 WeakPolarHBondContact CG-O 3.29Å; S118-V149 PolarHBondContact N-O 2.95Å; S118-V149 PolarHBondContact OG-N 2.84Å; Y128-V149 HydrophobicContact CD1-CG2 4.21Å; Y128-V149 HydrophobicContact CD2-CB 3.81Å; Y128-V149 HydrophobicContact CD2-CG2 3.37Å; Y128-V149 HydrophobicContact CE1-CG2 4.41Å; Y128-V149 HydrophobicContact CE2-CB 3.71Å; Y128-V149 HydrophobicContact CE2-CG1 4.31Å; Y128-V149 HydrophobicContact CE2-CG2 3.64Å; Y128-V149 HydrophobicContact CG-CG2 3.68Å |
| 150 | H | 98.3 | Very high | 89.4 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 13% | 0.134 | 36% | 0.357 | C | S | . | . | trans | -108.8 | 143.9 | 168.4 | -78.1 | 167.4 | 0 | 0 | 0 | 110.9 | L39 F40 Y41 E117 R294 | L39-H150 HydrophobicContact CD1-CB 3.92Å; L39-H150 WeakPolarHBondContact CD1-ND1 3.23Å; F40-H150 PolarHBondContact O-N 2.86Å; Y41-H150 HydrophobicContact CD1-CB 4.21Å; Y41-H150 VanDerWaalsContact CD1-O 3.31Å; Y41-H150 WeakPolarHBondContact CD1-O 3.47Å; Y41-H150 HydrophobicContact CE1-CB 3.73Å; E117-H150 IonicContact OE1-CD2 3.17Å; E117-H150 WeakPolarHBondContact OE2-CA 3.33Å; E117-H150 IonicContact OE2-CD2 3.75Å; H150-R294 PolarHBondContact CE1-NH1 3.19Å | ||
| 151 | T | 95.6 | Very high | 88.9 | Confident | 52 Ų | 52 | 66.1 Ų | 66.1 | 32% | 0.319 | 36% | 0.361 | S | S | . | . | trans | -106 | 115.3 | 171.6 | -59.6 | 0 | 0 | 0 | 0 | 109.2 | E117 R294 | E117-T151 PolarHBondContact N-OG1 3.09Å; E117-T151 PolarHBondContact OE2-N 2.91Å; T151-R294 WeakPolarHBondContact O-CB 3.39Å | ||
| 152 | L | 93.1 | Very high | 88.7 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 40% | 0.403 | 37% | 0.365 | S | S | . | . | trans | -85 | 145.1 | 176.7 | -57.5 | -177.7 | 0 | 0 | 0 | 110.3 | Y41 R294 | Y41-L152 HydrophobicContact CD1-CD1 4.07Å; Y41-L152 HydrophobicContact CD1-CG 3.93Å; Y41-L152 HydrophobicContact CE1-CD1 3.72Å; Y41-L152 HydrophobicContact CE1-CD2 3.79Å; Y41-L152 HydrophobicContact CE1-CG 3.62Å; L152-R294 HydrophobicContact CD2-CG 3.9Å | ||
| 153 | S | 88.3 | Confident | 88.5 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -133.3 | 159.2 | 171.9 | -58.2 | 0 | 0 | 0 | 0 | 110.1 | W293 R294 | S153-W293 WeakPolarHBondContact O-CZ3 3.09Å; S153-R294 PolarHBondContact N-O 2.89Å |
| 154 | T | 85.8 | Confident | 88.3 | Confident | 129 Ų | 129 | 64.1 Ų | 64.1 | 79% | 0.791 | 35% | 0.347 | S | S | * | . | trans | -130.6 | 129.1 | 166.9 | 53.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 155 | Y | 80.1 | Confident | 87.9 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 36% | 0.357 | 35% | 0.35 | S | S | . | . | trans | -117.2 | 137.9 | 172.6 | -75.3 | -84.3 | 0 | 0 | 0 | 108 | E157 K182 W293 | Y155-E157 PolarHBondContact O-N 2.83Å; Y155-K182 HydrophobicContact CD1-CD 3.43Å; Y155-K182 VanDerWaalsContact CD1-CD 3.43Å; Y155-K182 HydrophobicContact CD2-CD 4.4Å; Y155-K182 HydrophobicContact CE1-CD 3.45Å; Y155-K182 VanDerWaalsContact CE1-CD 3.45Å; Y155-K182 HydrophobicContact CE2-CD 4.43Å; Y155-K182 HydrophobicContact CG-CD 3.92Å; Y155-W293 HydrophobicContact CD2-CB 4.13Å; Y155-W293 AromaticContact CD2-CD1 3.73Å; Y155-W293 AromaticContact CD2-CD2 3.69Å; Y155-W293 HydrophobicContact CD2-CD2 3.69Å; Y155-W293 AromaticContact CD2-CE2 3.91Å; Y155-W293 HydrophobicContact CD2-CE3 4.27Å; Y155-W293 AromaticContact CD2-CG 3.6Å; Y155-W293 HydrophobicContact CD2-CG 3.6Å; Y155-W293 AromaticContact CD2-NE1 3.9Å; Y155-W293 HydrophobicContact CE2-CB 3.82Å; Y155-W293 HydrophobicContact CE2-CD2 4.31Å; Y155-W293 AromaticContact CE2-CG 3.81Å; Y155-W293 HydrophobicContact CE2-CG 3.81Å | ||
| 156 | P | 72.9 | Confident | 87.5 | Confident | 102 Ų | 102 | 63.7 Ų | 63.7 | 66% | 0.662 | 35% | 0.346 | S | S | * | . | trans | -54.1 | 138.2 | 166.9 | -23.3 | 33.6 | 0 | 0 | 0 | 109.6 | L158 | P156-L158 HydrophobicContact CB-CD1 4.29Å; P156-L158 HydrophobicContact CB-CG 4.08Å; P156-L158 PolarHBondContact O-N 2.79Å | ||
| 157 | E | 66.8 | Low | 87 | Confident | 147 Ų | 147 | 64.2 Ų | 64.2 | 69% | 0.687 | 36% | 0.362 | S | S | * | . | trans | -73.9 | 66 | 172.9 | -66.4 | -176.5 | -179 | 0 | 0 | 109.7 | Y155 N159 | Y155-E157 PolarHBondContact O-N 2.83Å; E157-N159 PolarHBondContact O-N 3Å | ||
| 158 | L | 69.8 | Low | 86.5 | Confident | 136 Ų | 136 | 66.6 Ų | 66.6 | 71% | 0.712 | 37% | 0.374 | S | S | * | . | trans | -83.1 | 99.2 | 170.1 | -69.4 | 169.5 | 0 | 0 | 0 | 107.8 | P156 S160 | P156-L158 HydrophobicContact CB-CD1 4.29Å; P156-L158 HydrophobicContact CB-CG 4.08Å; P156-L158 PolarHBondContact O-N 2.79Å; L158-S160 VanDerWaalsContact C-N 3.31Å; L158-S160 PolarHBondContact O-N 2.67Å | ||
| 159 | N | 68.6 | Low | 86 | Confident | 112 Ų | 112 | 74.8 Ų | 74.8 | 60% | 0.599 | 41% | 0.412 | S | S | * | . | trans | -77.5 | 84.1 | 171.2 | -64 | -40.4 | 0 | 0 | 0 | 108.9 | E157 | E157-N159 PolarHBondContact O-N 3Š| ||
| 160 | S | 79.7 | Confident | 85.5 | Confident | 65 Ų | 65 | 79.8 Ų | 79.8 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | trans | -95.5 | 112.8 | 162 | 60.1 | 0 | 0 | 0 | 0 | 107.3 | L158 | L158-S160 VanDerWaalsContact C-N 3.31Å; L158-S160 PolarHBondContact O-N 2.67Å | ||
| 161 | S | 85.4 | Confident | 85.1 | Confident | 69 Ų | 69 | 80.7 Ų | 80.7 | 48% | 0.483 | 45% | 0.448 | S | S | . | . | trans | -62.9 | 141.6 | 173 | 69 | 0 | 0 | 0 | 0 | 109.7 | E177 Y178 | S161-E177 WeakPolarHBondContact CB-OE1 3.12Å; S161-E177 PolarHBondContact OG-OE1 3.04Å; S161-Y178 CarbonylContact C-O 3.6Å; S161-Y178 VanDerWaalsContact CA-O 3.31Å; S161-Y178 WeakPolarHBondContact CA-O 3.48Å | ||
| 162 | I | 91.9 | Very high | 84.9 | Confident | 25 Ų | 25 | 78.3 Ų | 78.3 | 13% | 0.128 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.4 | -178.3 | -62.8 | 163 | 0 | 0 | 0 | 107 | E177 Y178 Q288 | I162-E177 CarbonylContact O-C 3.58Å; I162-E177 VanDerWaalsContact O-CA 3.27Å; I162-E177 WeakPolarHBondContact O-CA 3.19Å; I162-Y178 HydrophobicContact CB-CD1 4.4Å; I162-Y178 HydrophobicContact CB-CD2 4.3Å; I162-Y178 HydrophobicContact CB-CE1 3.94Å; I162-Y178 HydrophobicContact CB-CE2 3.86Å; I162-Y178 HydrophobicContact CD1-CD2 4.43Å; I162-Y178 HydrophobicContact CD1-CE2 3.68Å; I162-Y178 HydrophobicContact CG1-CE2 4.36Å; I162-Y178 HydrophobicContact CG2-CE1 3.75Å; I162-Y178 HydrophobicContact CG2-CE2 4.17Å; I162-Y178 VanDerWaalsContact CG2-CZ 3.49Å; I162-Y178 WeakPolarHBondContact CG2-OH 2.99Å; I162-Y178 PolarHBondContact N-O 3.03Å; I162-Y178 PolarHBondContact O-N 2.94Å; I162-Q288 VanDerWaalsContact CG2-NE2 3.25Å |
| 163 | K | 93.6 | Very high | 85 | Confident | 106 Ų | 106 | 77.6 Ų | 77.6 | 46% | 0.461 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.7 | 179.4 | -64.6 | 177.9 | 170 | -128.4 | 0 | 109.6 | E175 E177 | K163-E175 HydrophobicContact CB-CG 4.28Å; K163-E175 WeakPolarHBondContact CD-OE1 3.48Å; K163-E175 VanDerWaalsContact CE-OE1 3.23Å; K163-E175 WeakPolarHBondContact CE-OE1 3.34Å; K163-E175 HydrophobicContact CG-CG 4.37Å; K163-E175 IonicContact NZ-OE1 3.51Å; K163-E175 PolarHBondContact NZ-OE1 2.93Å; K163-E175 IonicContact NZ-OE2 3.19Å; K163-E175 PolarHBondContact NZ-OE2 2.88Å; K163-E177 HydrophobicContact CG-CB 4.5Å; K163-E177 HydrophobicContact CG-CG 4.33Å |
| 164 | M | 93.1 | Very high | 85.3 | Confident | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.015 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 119.4 | 171.6 | -177.7 | 168.1 | 58.4 | 0 | 0 | 108.4 | F176 L274 K286 Q288 | M164-F176 HydrophobicContact CE-CD1 3.68Å; M164-F176 HydrophobicContact CE-CE1 4.34Å; M164-F176 PolarHBondContact N-O 3.31Å; M164-F176 PolarHBondContact O-N 2.88Å; M164-L274 HydrophobicContact CE-CB 3.6Å; M164-K286 HydrophobicContact CG-CB 4.01Å; M164-K286 HydrophobicContact CG-CG 3.41Å; M164-K286 VanDerWaalsContact CG-CG 3.41Å; M164-K286 VanDerWaalsContact SD-C 3.58Å; M164-K286 HydrophobicContact SD-CB 4Å; M164-K286 HydrophobicContact SD-CG 3.7Å; M164-Q288 HydrophobicContact SD-CB 3.77Å |
| 165 | E | 91.1 | Very high | 85.7 | Confident | 90 Ų | 90 | 70.5 Ų | 70.5 | 42% | 0.421 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.3 | -174.5 | -68 | 169.1 | -161.6 | 0 | 0 | 111.7 | H173 I174 E175 | E165-H173 IonicContact OE2-NE2 2.59Å; E165-I174 WeakPolarHBondContact CA-O 3.31Å; E165-E175 HydrophobicContact CG-CB 4.16Å; E165-E175 HydrophobicContact CG-CG 3.96Å |
| 166 | V | 90.3 | Very high | 86.5 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 109.7 | 166.3 | -173.6 | 0 | 0 | 0 | 0 | 107.1 | I174 L274 L276 K286 | V166-I174 PolarHBondContact N-O 2.92Å; V166-I174 PolarHBondContact O-N 3.16Å; V166-L274 HydrophobicContact CG2-CD2 3.82Å; V166-L274 HydrophobicContact CG2-CG 4.35Å; V166-L276 HydrophobicContact CB-CD1 4Å; V166-L276 HydrophobicContact CG1-CD1 3.9Å; V166-L276 HydrophobicContact CG2-CD1 3.8Å; V166-K286 HydrophobicContact CG2-CB 3.65Å |
| 167 | G | 86.6 | Confident | 87.6 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 58% | 0.577 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L172 | G167-L172 CarbonylContact C-O 3.33Å; G167-L172 VanDerWaalsContact CA-O 3.29Å; G167-L172 WeakPolarHBondContact CA-O 3.21Å |
| 168 | I | 88.1 | Confident | 89 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 28% | 0.277 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.4 | 163.3 | -52.7 | 168.8 | 0 | 0 | 0 | 105.5 | D170 C171 L172 I200 Y284 | I168-D170 PolarHBondContact O-N 3.43Å; I168-C171 HydrophobicContact CB-CB 4.05Å; I168-C171 HydrophobicContact CG2-CB 3.86Å; I168-C171 PolarHBondContact O-N 2.91Å; I168-L172 HydrophobicContact CB-CB 4.21Å; I168-L172 HydrophobicContact CD1-CB 4.13Å; I168-L172 HydrophobicContact CD1-CD2 4.28Å; I168-L172 HydrophobicContact CG1-CB 4.26Å; I168-L172 PolarHBondContact N-O 2.93Å; I168-L172 PolarHBondContact O-N 3.48Å; I168-I200 HydrophobicContact CD1-CD1 3.95Å; I168-Y284 HydrophobicContact CD1-CD1 3.63Å; I168-Y284 HydrophobicContact CD1-CE1 3.18Å; I168-Y284 HydrophobicContact CD1-CE2 4.38Å; I168-Y284 HydrophobicContact CD1-CG 4.38Å; I168-Y284 HydrophobicContact CG1-CD1 4.35Å; I168-Y284 HydrophobicContact CG1-CE1 4.23Å |
| 169 | E | 89.3 | Confident | 90.2 | Very high | 176 Ų | 176 | 51.9 Ų | 51.9 | 82% | 0.822 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | 131.3 | -179.2 | -170.2 | 171.4 | -165.4 | 0 | 0 | 111 | C171 | E169-C171 PolarHBondContact O-N 2.71Š|
| 170 | D | 88.3 | Confident | 91.4 | Very high | 105 Ų | 105 | 48.1 Ų | 48.1 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 3.1 | -178.7 | -72.5 | -44 | 0 | 0 | 0 | 117.6 | I168 R199 | I168-D170 PolarHBondContact O-N 3.43Å; D170-R199 WeakPolarHBondContact O-CD 3.45Å; D170-R199 PolarHBondContact O-NH1 2.82Å |
| 171 | C | 89.5 | Confident | 92 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -46.4 | -172.2 | -77.5 | 0 | 0 | 0 | 0 | 113.6 | I168 E169 R199 I200 | I168-C171 HydrophobicContact CB-CB 4.05Å; I168-C171 HydrophobicContact CG2-CB 3.86Å; I168-C171 PolarHBondContact O-N 2.91Å; E169-C171 PolarHBondContact O-N 2.71Å; C171-R199 WeakPolarHBondContact O-CA 3.06Å; C171-R199 WeakPolarHBondContact O-CB 3.45Å; C171-R199 PolarHBondContact O-N 3.45Å; C171-I200 HydrophobicContact CB-CD1 3.79Å; C171-I200 HydrophobicContact CB-CG1 4.06Å |
| 172 | L | 91.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 132.7 | -172.1 | -173.1 | 67.6 | 0 | 0 | 0 | 109.8 | G167 I168 I174 L197 I202 | G167-L172 CarbonylContact C-O 3.33Å; G167-L172 VanDerWaalsContact CA-O 3.29Å; G167-L172 WeakPolarHBondContact CA-O 3.21Å; I168-L172 HydrophobicContact CB-CB 4.21Å; I168-L172 HydrophobicContact CD1-CB 4.13Å; I168-L172 HydrophobicContact CD1-CD2 4.28Å; I168-L172 HydrophobicContact CG1-CB 4.26Å; I168-L172 PolarHBondContact N-O 2.93Å; I168-L172 PolarHBondContact O-N 3.48Å; L172-I174 HydrophobicContact CD1-CD1 3.73Å; L172-I174 HydrophobicContact CD1-CG1 4.08Å; L172-I174 HydrophobicContact CG-CD1 4.29Å; L172-I174 HydrophobicContact CG-CG1 4.44Å; L172-L197 CarbonylContact C-O 3.59Å; L172-L197 WeakPolarHBondContact CA-O 3.49Å; L172-I202 HydrophobicContact CD1-CD1 4Å |
| 173 | H | 94 | Very high | 92.6 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 29% | 0.287 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 107.3 | 170.5 | -171.5 | -176.8 | 0 | 0 | 0 | 108.7 | E165 L196 L197 | E165-H173 IonicContact OE2-NE2 2.59Å; H173-L196 HydrophobicContact CB-CB 4.16Å; H173-L196 WeakPolarHBondContact O-CA 3.09Å; H173-L196 WeakPolarHBondContact O-CB 3.3Å; H173-L196 PolarHBondContact O-N 3.34Å; H173-L197 HydrophobicContact CB-CB 3.76Å; H173-L197 PolarHBondContact N-O 2.79Å; H173-L197 PolarHBondContact O-N 2.73Å |
| 174 | I | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.9 | 178.2 | -66.2 | 172.8 | 0 | 0 | 0 | 108.7 | E165 V166 L172 I193 Y194 F195 I202 L276 | E165-I174 WeakPolarHBondContact CA-O 3.31Å; V166-I174 PolarHBondContact N-O 2.92Å; V166-I174 PolarHBondContact O-N 3.16Å; L172-I174 HydrophobicContact CD1-CD1 3.73Å; L172-I174 HydrophobicContact CD1-CG1 4.08Å; L172-I174 HydrophobicContact CG-CD1 4.29Å; L172-I174 HydrophobicContact CG-CG1 4.44Å; I174-I193 HydrophobicContact CG2-CG2 3.6Å; I174-Y194 WeakPolarHBondContact CA-O 3.34Å; I174-F195 HydrophobicContact CD1-CD1 3.65Å; I174-F195 HydrophobicContact CD1-CE1 3.72Å; I174-F195 HydrophobicContact CG1-CD1 3.73Å; I174-F195 HydrophobicContact CG1-CE1 4.2Å; I174-I202 HydrophobicContact CD1-CD1 3.58Å; I174-L276 HydrophobicContact CD1-CD2 3.31Å |
| 175 | E | 95.4 | Very high | 93 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127 | 176.1 | -174.4 | -172.6 | 115.3 | 0 | 0 | 109 | K163 E165 I193 Y194 L196 | K163-E175 HydrophobicContact CB-CG 4.28Å; K163-E175 WeakPolarHBondContact CD-OE1 3.48Å; K163-E175 VanDerWaalsContact CE-OE1 3.23Å; K163-E175 WeakPolarHBondContact CE-OE1 3.34Å; K163-E175 HydrophobicContact CG-CG 4.37Å; K163-E175 IonicContact NZ-OE1 3.51Å; K163-E175 PolarHBondContact NZ-OE1 2.93Å; K163-E175 IonicContact NZ-OE2 3.19Å; K163-E175 PolarHBondContact NZ-OE2 2.88Å; E165-E175 HydrophobicContact CG-CB 4.16Å; E165-E175 HydrophobicContact CG-CG 3.96Å; E175-I193 CarbonylContact O-C 3.56Å; E175-I193 WeakPolarHBondContact O-CA 3.06Å; E175-Y194 HydrophobicContact CB-CD2 4.4Å; E175-Y194 PolarHBondContact N-O 2.88Å; E175-Y194 PolarHBondContact O-N 2.95Å; E175-L196 HydrophobicContact CB-CD1 4.22Å |
| 176 | F | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 114.2 | 166.4 | 171.9 | -129.9 | 0 | 0 | 0 | 109.6 | M164 Y178 I193 I207 I246 L272 L274 | M164-F176 HydrophobicContact CE-CD1 3.68Å; M164-F176 HydrophobicContact CE-CE1 4.34Å; M164-F176 PolarHBondContact N-O 3.31Å; M164-F176 PolarHBondContact O-N 2.88Å; F176-Y178 AromaticContact CD1-CD1 3.92Å; F176-Y178 HydrophobicContact CD1-CD1 3.92Å; F176-Y178 HydrophobicContact CD1-CE1 4.45Å; F176-Y178 AromaticContact CE1-CD1 3.58Å; F176-Y178 HydrophobicContact CE1-CD1 3.58Å; F176-Y178 HydrophobicContact CE1-CE1 4.26Å; F176-Y178 HydrophobicContact CE1-CG 4.2Å; F176-Y178 HydrophobicContact CZ-CD1 4.04Å; F176-Y178 HydrophobicContact CZ-CG 4.27Å; F176-I193 HydrophobicContact CB-CG1 4.3Å; F176-I193 HydrophobicContact CD2-CG1 3.74Å; F176-I193 HydrophobicContact CG-CG1 4.34Å; F176-I207 HydrophobicContact CD1-CD1 4.3Å; F176-I207 HydrophobicContact CD2-CD1 4.17Å; F176-I207 HydrophobicContact CE1-CD1 3.99Å; F176-I207 HydrophobicContact CE2-CD1 3.85Å; F176-I207 HydrophobicContact CG-CD1 4.39Å; F176-I207 HydrophobicContact CZ-CD1 3.75Å; F176-I246 HydrophobicContact CE2-CB 4.31Å; F176-I246 HydrophobicContact CE2-CG1 4.22Å; F176-I246 HydrophobicContact CE2-CG2 4.49Å; F176-L272 HydrophobicContact CE1-CD1 4.08Å; F176-L274 HydrophobicContact CB-CD2 4.07Å |
| 177 | E | 96.8 | Very high | 93.5 | Very high | 44 Ų | 44 | 47.4 Ų | 47.4 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.7 | 175.9 | -174 | 179 | -158.4 | 0 | 0 | 110.2 | S161 I162 K163 G191 K192 Y194 | S161-E177 WeakPolarHBondContact CB-OE1 3.12Å; S161-E177 PolarHBondContact OG-OE1 3.04Å; I162-E177 CarbonylContact O-C 3.58Å; I162-E177 VanDerWaalsContact O-CA 3.27Å; I162-E177 WeakPolarHBondContact O-CA 3.19Å; K163-E177 HydrophobicContact CG-CB 4.5Å; K163-E177 HydrophobicContact CG-CG 4.33Å; E177-G191 CarbonylContact O-C 3.55Å; E177-G191 WeakPolarHBondContact O-CA 3.36Å; E177-K192 PolarHBondContact N-O 2.93Å; E177-K192 PolarHBondContact O-N 2.85Å; E177-Y194 HydrophobicContact CB-CE2 3.89Å; E177-Y194 PolarHBondContact OE2-OH 2.77Å; E177-Y194 VanDerWaalsContact OE2-OH 3.06Å |
| 178 | Y | 95.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 155.5 | 175.1 | 59.9 | -84.9 | 0 | 0 | 0 | 112.7 | S161 I162 F176 K180 Y183 V190 L272 Q288 V290 | S161-Y178 CarbonylContact C-O 3.6Å; S161-Y178 VanDerWaalsContact CA-O 3.31Å; S161-Y178 WeakPolarHBondContact CA-O 3.48Å; I162-Y178 HydrophobicContact CB-CD1 4.4Å; I162-Y178 HydrophobicContact CB-CD2 4.3Å; I162-Y178 HydrophobicContact CB-CE1 3.94Å; I162-Y178 HydrophobicContact CB-CE2 3.86Å; I162-Y178 HydrophobicContact CD1-CD2 4.43Å; I162-Y178 HydrophobicContact CD1-CE2 3.68Å; I162-Y178 HydrophobicContact CG1-CE2 4.36Å; I162-Y178 HydrophobicContact CG2-CE1 3.75Å; I162-Y178 HydrophobicContact CG2-CE2 4.17Å; I162-Y178 VanDerWaalsContact CG2-CZ 3.49Å; I162-Y178 WeakPolarHBondContact CG2-OH 2.99Å; I162-Y178 PolarHBondContact N-O 3.03Å; I162-Y178 PolarHBondContact O-N 2.94Å; F176-Y178 AromaticContact CD1-CD1 3.92Å; F176-Y178 HydrophobicContact CD1-CD1 3.92Å; F176-Y178 HydrophobicContact CD1-CE1 4.45Å; F176-Y178 AromaticContact CE1-CD1 3.58Å; F176-Y178 HydrophobicContact CE1-CD1 3.58Å; F176-Y178 HydrophobicContact CE1-CE1 4.26Å; F176-Y178 HydrophobicContact CE1-CG 4.2Å; F176-Y178 HydrophobicContact CZ-CD1 4.04Å; F176-Y178 HydrophobicContact CZ-CG 4.27Å; Y178-K180 WeakPolarHBondContact CD2-O 3.45Å; Y178-K180 WeakPolarHBondContact CE2-O 3.42Å; Y178-K180 PolarHBondContact O-N 2.83Å; Y178-Y183 HydrophobicContact CD2-CE2 4.36Å; Y178-V190 WeakPolarHBondContact CA-O 3.37Å; Y178-L272 HydrophobicContact CD1-CD1 4.34Å; Y178-L272 HydrophobicContact CD2-CD1 4.17Å; Y178-L272 HydrophobicContact CE1-CD1 4.32Å; Y178-L272 HydrophobicContact CE2-CD1 4.13Å; Y178-L272 HydrophobicContact CG-CD1 4.26Å; Y178-Q288 VanDerWaalsContact OH-CD 3.23Å; Y178-Q288 VanDerWaalsContact OH-CG 3.31Å; Y178-Q288 WeakPolarHBondContact OH-CG 3.05Å; Y178-Q288 PolarHBondContact OH-OE1 2.81Å; Y178-V290 HydrophobicContact CE2-CG1 4.03Å |
| 179 | N | 93.9 | Very high | 94.3 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 21% | 0.209 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -76.6 | -21.8 | -160 | 64.2 | -38.5 | 0 | 0 | 0 | 116.8 | Y183 V190 | N179-Y183 WeakPolarHBondContact OD1-CE1 3.1Å; N179-Y183 PolarHBondContact OD1-OH 2.79Å; N179-V190 WeakPolarHBondContact CB-O 3.44Å; N179-V190 PolarHBondContact N-O 2.83Å; N179-V190 PolarHBondContact OD1-N 2.59Å; N179-V190 PolarHBondContact OD1-O 2.85Å |
| 180 | K | 93.9 | Very high | 94.7 | Very high | 32 Ų | 32 | 38.4 Ų | 38.4 | 14% | 0.139 | 20% | 0.196 | C | C | . | . | trans | -148.9 | 152.7 | -175 | -50.6 | 175.2 | -168.4 | 170.8 | 0 | 111.9 | Y178 Y183 D187 | Y178-K180 WeakPolarHBondContact CD2-O 3.45Å; Y178-K180 WeakPolarHBondContact CE2-O 3.42Å; Y178-K180 PolarHBondContact O-N 2.83Å; K180-Y183 HydrophobicContact CB-CD1 4.39Å; K180-Y183 HydrophobicContact CB-CE1 3.83Å; K180-Y183 HydrophobicContact CB-CE2 4.1Å; K180-Y183 HydrophobicContact CD-CD1 4.12Å; K180-Y183 HydrophobicContact CD-CE1 3.93Å; K180-Y183 HydrophobicContact CG-CE1 4.07Å; K180-Y183 PolarHBondContact N-OH 3.36Å; K180-Y183 WeakPolarHBondContact O-CE2 3.29Å; K180-Y183 VanDerWaalsContact O-CZ 3.29Å; K180-Y183 PolarHBondContact O-OH 2.85Å; K180-Y183 VanDerWaalsContact O-OH 3.11Å; K180-D187 IonicContact NZ-OD1 2.71Å; K180-D187 PolarHBondContact NZ-OD1 2.71Å; K180-D187 IonicContact NZ-OD2 2.83Å; K180-D187 PolarHBondContact NZ-OD2 2.87Å | ||
| 181 | S | 93.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 34 Ų | 34 | 27% | 0.273 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -84.4 | -16.7 | 166.3 | 41 | 0 | 0 | 0 | 0 | 112.8 | V290 V291 | S181-V290 WeakPolarHBondContact O-CA 3.3Å; S181-V291 PolarHBondContact O-N 3.29Å |
| 182 | K | 95.1 | Very high | 95.4 | Very high | 81 Ų | 81 | 35.3 Ų | 35.3 | 35% | 0.352 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 129.2 | -172.1 | -44.3 | -164.1 | 178.6 | 78.6 | 0 | 110.1 | Y155 V291 | Y155-K182 HydrophobicContact CD1-CD 3.43Å; Y155-K182 VanDerWaalsContact CD1-CD 3.43Å; Y155-K182 HydrophobicContact CD2-CD 4.4Å; Y155-K182 HydrophobicContact CE1-CD 3.45Å; Y155-K182 VanDerWaalsContact CE1-CD 3.45Å; Y155-K182 HydrophobicContact CE2-CD 4.43Å; Y155-K182 HydrophobicContact CG-CD 3.92Å; K182-V291 CarbonylContact C-O 3.51Å; K182-V291 WeakPolarHBondContact CA-O 3.49Å; K182-V291 HydrophobicContact CB-CB 4.22Å; K182-V291 HydrophobicContact CD-CB 4.26Å; K182-V291 HydrophobicContact CG-CB 3.93Å; K182-V291 HydrophobicContact CG-CG2 4.37Å |
| 183 | Y | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 138.8 | -176.1 | -67 | -82.8 | 0 | 0 | 0 | 110.3 | Y178 N179 K180 D187 I189 L250 V290 V291 L292 W293 | Y178-Y183 HydrophobicContact CD2-CE2 4.36Å; N179-Y183 WeakPolarHBondContact OD1-CE1 3.1Å; N179-Y183 PolarHBondContact OD1-OH 2.79Å; K180-Y183 HydrophobicContact CB-CD1 4.39Å; K180-Y183 HydrophobicContact CB-CE1 3.83Å; K180-Y183 HydrophobicContact CB-CE2 4.1Å; K180-Y183 HydrophobicContact CD-CD1 4.12Å; K180-Y183 HydrophobicContact CD-CE1 3.93Å; K180-Y183 HydrophobicContact CG-CE1 4.07Å; K180-Y183 PolarHBondContact N-OH 3.36Å; K180-Y183 WeakPolarHBondContact O-CE2 3.29Å; K180-Y183 VanDerWaalsContact O-CZ 3.29Å; K180-Y183 PolarHBondContact O-OH 2.85Å; K180-Y183 VanDerWaalsContact O-OH 3.11Å; Y183-D187 HydrophobicContact CD1-CB 4.04Å; Y183-I189 HydrophobicContact CD1-CG1 4.04Å; Y183-I189 HydrophobicContact CD2-CD1 4.34Å; Y183-I189 HydrophobicContact CD2-CG1 4.09Å; Y183-I189 HydrophobicContact CE1-CB 4.24Å; Y183-I189 HydrophobicContact CE1-CG1 3.88Å; Y183-I189 HydrophobicContact CE2-CD1 4.25Å; Y183-I189 HydrophobicContact CE2-CG1 3.91Å; Y183-I189 HydrophobicContact CE2-CG2 4.42Å; Y183-I189 HydrophobicContact CG-CG1 4.14Å; Y183-L250 HydrophobicContact CG-CD1 4.25Å; Y183-V290 HydrophobicContact CD2-CB 4.37Å; Y183-V290 HydrophobicContact CD2-CG1 4.44Å; Y183-V290 HydrophobicContact CE2-CG1 4.24Å; Y183-V291 PolarHBondContact N-O 2.98Å; Y183-L292 CarbonylContact O-C 3.56Å; Y183-L292 VanDerWaalsContact O-CA 3.29Å; Y183-L292 WeakPolarHBondContact O-CA 3.3Å; Y183-W293 VanDerWaalsContact C-NE1 3.25Å; Y183-W293 PolarHBondContact O-N 3.16Å; Y183-W293 PolarHBondContact O-NE1 3.16Å |
| 184 | H | 96.4 | Very high | 95.7 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 17% | 0.171 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 159.1 | 169.5 | 66.1 | 86.3 | 0 | 0 | 0 | 110.6 | K186 D187 W293 K295 | H184-K186 PolarHBondContact CE1-O 2.86Å; H184-K186 PolarHBondContact ND1-N 2.94Å; H184-K186 PolarHBondContact O-N 3.03Å; H184-D187 IonicContact CD2-OD2 2.68Å; H184-D187 PolarHBondContact CD2-OD2 2.79Å; H184-D187 VanDerWaalsContact CE1-CA 3.45Å; H184-D187 WeakPolarHBondContact CE1-CA 3.4Å; H184-D187 PolarHBondContact CE1-N 2.87Å; H184-D187 PolarHBondContact ND1-N 3.48Å; H184-D187 IonicContact NE2-OD1 3.67Å; H184-D187 IonicContact NE2-OD2 3.71Å; H184-D187 VanDerWaalsContact O-CB 3.23Å; H184-D187 WeakPolarHBondContact O-CB 3.38Å; H184-D187 PolarHBondContact O-N 3.49Å; H184-W293 CarbonylContact C-O 3.54Å; H184-W293 WeakPolarHBondContact CA-O 3.36Å; H184-W293 HydrophobicContact CB-CD2 3.98Å; H184-W293 HydrophobicContact CB-CE3 4.25Å; H184-W293 HydrophobicContact CB-CH2 4.14Å; H184-W293 HydrophobicContact CB-CZ2 3.85Å; H184-W293 HydrophobicContact CB-CZ3 4.33Å; H184-K295 HydrophobicContact CB-CB 3.9Å |
| 185 | L | 96.9 | Very high | 95.7 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 11% | 0.105 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -9.2 | -175 | -55.5 | -179.9 | 0 | 0 | 0 | 116 | L255 T256 P257 L292 W293 R294 | L185-L255 HydrophobicContact CD2-CB 4.02Å; L185-T256 WeakPolarHBondContact CD2-O 3.33Å; L185-P257 HydrophobicContact CD1-CG 4.26Å; L185-L292 HydrophobicContact CD2-CB 4Å; L185-L292 HydrophobicContact CD2-CD1 4.5Å; L185-W293 WeakPolarHBondContact CG-O 3.4Å; L185-W293 PolarHBondContact N-O 3.04Å; L185-R294 HydrophobicContact CD1-CB 4.23Å; L185-R294 HydrophobicContact CD1-CG 4.33Å |
| 186 | K | 96.2 | Very high | 95.6 | Very high | 157 Ų | 157 | 37.8 Ų | 37.8 | 68% | 0.683 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | 13 | 179.2 | -62.3 | -176.3 | 178 | -180 | 0 | 112.3 | H184 A251 | H184-K186 PolarHBondContact CE1-O 2.86Å; H184-K186 PolarHBondContact ND1-N 2.94Å; H184-K186 PolarHBondContact O-N 3.03Å; K186-A251 HydrophobicContact CB-CB 4.09Å; K186-A251 HydrophobicContact CG-CB 4.19Å |
| 187 | D | 96 | Very high | 95.5 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 12% | 0.118 | 20% | 0.197 | C | C | . | . | trans | -76.9 | 178.2 | -177.5 | -151.6 | -18 | 0 | 0 | 0 | 110.2 | K180 Y183 H184 L250 | K180-D187 IonicContact NZ-OD1 2.71Å; K180-D187 PolarHBondContact NZ-OD1 2.71Å; K180-D187 IonicContact NZ-OD2 2.83Å; K180-D187 PolarHBondContact NZ-OD2 2.87Å; Y183-D187 HydrophobicContact CD1-CB 4.04Å; H184-D187 IonicContact CD2-OD2 2.68Å; H184-D187 PolarHBondContact CD2-OD2 2.79Å; H184-D187 VanDerWaalsContact CE1-CA 3.45Å; H184-D187 WeakPolarHBondContact CE1-CA 3.4Å; H184-D187 PolarHBondContact CE1-N 2.87Å; H184-D187 PolarHBondContact ND1-N 3.48Å; H184-D187 IonicContact NE2-OD1 3.67Å; H184-D187 IonicContact NE2-OD2 3.71Å; H184-D187 VanDerWaalsContact O-CB 3.23Å; H184-D187 WeakPolarHBondContact O-CB 3.38Å; H184-D187 PolarHBondContact O-N 3.49Å; D187-L250 HydrophobicContact CB-CD1 4.34Å; D187-L250 VanDerWaalsContact O-CB 3.29Å; D187-L250 WeakPolarHBondContact O-CB 3.4Å; D187-L250 WeakPolarHBondContact O-CG 3.29Å; D187-L250 PolarHBondContact O-N 2.88Å | ||
| 188 | V | 96.6 | Very high | 95.3 | Very high | 34 Ų | 34 | 39 Ų | 39 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.3 | 173.7 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | V190 R247 L248 F249 | V188-V190 HydrophobicContact CB-CG2 4.39Å; V188-V190 HydrophobicContact CG1-CG2 3.99Å; V188-V190 PolarHBondContact O-N 3Å; V188-R247 HydrophobicContact CG1-CB 4.31Å; V188-L248 CarbonylContact C-O 3.51Å; V188-L248 WeakPolarHBondContact CA-O 3.36Å; V188-F249 HydrophobicContact CG1-CD1 4.31Å; V188-F249 HydrophobicContact CG1-CE1 4.33Å; V188-F249 HydrophobicContact CG1-CG 4.47Å; V188-F249 HydrophobicContact CG2-CD1 3.44Å; V188-F249 VanDerWaalsContact CG2-CD1 3.44Å; V188-F249 HydrophobicContact CG2-CE1 3.68Å; V188-F249 HydrophobicContact CG2-CG 4.21Å |
| 189 | I | 96.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 111.7 | 169.5 | -54.7 | -177.5 | 0 | 0 | 0 | 106.7 | Y183 R247 L248 L250 L272 | Y183-I189 HydrophobicContact CD1-CG1 4.04Å; Y183-I189 HydrophobicContact CD2-CD1 4.34Å; Y183-I189 HydrophobicContact CD2-CG1 4.09Å; Y183-I189 HydrophobicContact CE1-CB 4.24Å; Y183-I189 HydrophobicContact CE1-CG1 3.88Å; Y183-I189 HydrophobicContact CE2-CD1 4.25Å; Y183-I189 HydrophobicContact CE2-CG1 3.91Å; Y183-I189 HydrophobicContact CE2-CG2 4.42Å; Y183-I189 HydrophobicContact CG-CG1 4.14Å; I189-R247 WeakPolarHBondContact O-CA 3.38Å; I189-L248 HydrophobicContact CB-CB 4.13Å; I189-L248 PolarHBondContact N-O 2.9Å; I189-L248 PolarHBondContact O-N 3.47Å; I189-L250 HydrophobicContact CD1-CD2 3.93Å; I189-L250 HydrophobicContact CG1-CD1 4.31Å; I189-L250 HydrophobicContact CG1-CD2 4.15Å; I189-L250 HydrophobicContact CG1-CG 4.31Å; I189-L272 HydrophobicContact CD1-CD1 4.15Å; I189-L272 HydrophobicContact CD1-CD2 3.72Å; I189-L272 HydrophobicContact CD1-CG 4.37Å; I189-L272 HydrophobicContact CG2-CD1 4.18Å |
| 190 | V | 96.4 | Very high | 94.9 | Very high | 61 Ų | 61 | 46.2 Ų | 46.2 | 37% | 0.37 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.1 | 177.7 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | Y178 N179 V188 I246 | Y178-V190 WeakPolarHBondContact CA-O 3.37Å; N179-V190 WeakPolarHBondContact CB-O 3.44Å; N179-V190 PolarHBondContact N-O 2.83Å; N179-V190 PolarHBondContact OD1-N 2.59Å; N179-V190 PolarHBondContact OD1-O 2.85Å; V188-V190 HydrophobicContact CB-CG2 4.39Å; V188-V190 HydrophobicContact CG1-CG2 3.99Å; V188-V190 PolarHBondContact O-N 3Å; V190-I246 WeakPolarHBondContact CA-O 3.08Å |
| 191 | G | 96.4 | Very high | 94.7 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 13% | 0.134 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | -176.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | E177 I246 | E177-G191 CarbonylContact O-C 3.55Å; E177-G191 WeakPolarHBondContact O-CA 3.36Å; G191-I246 PolarHBondContact N-O 2.92Å; G191-I246 PolarHBondContact O-N 2.91Å |
| 192 | K | 96.3 | Very high | 94.6 | Very high | 74 Ų | 74 | 49 Ų | 49 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 135.6 | -179.7 | -164.4 | 168 | 179.9 | -163.5 | 0 | 109.7 | E177 Y194 S243 I244 | E177-K192 PolarHBondContact N-O 2.93Å; E177-K192 PolarHBondContact O-N 2.85Å; K192-Y194 HydrophobicContact CB-CE2 4.07Å; K192-Y194 HydrophobicContact CD-CE1 3.74Å; K192-Y194 HydrophobicContact CG-CE1 4.08Å; K192-Y194 HydrophobicContact CG-CE2 4.27Å; K192-S243 WeakPolarHBondContact CE-OG 3.29Å; K192-S243 PolarHBondContact NZ-OG 2.79Å; K192-I244 WeakPolarHBondContact CA-O 3.49Å |
| 193 | I | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 134.5 | 173.9 | -60.5 | 176.2 | 0 | 0 | 0 | 108.1 | I174 E175 F176 F195 M205 I207 I233 S243 I244 I246 | I174-I193 HydrophobicContact CG2-CG2 3.6Å; E175-I193 CarbonylContact O-C 3.56Å; E175-I193 WeakPolarHBondContact O-CA 3.06Å; F176-I193 HydrophobicContact CB-CG1 4.3Å; F176-I193 HydrophobicContact CD2-CG1 3.74Å; F176-I193 HydrophobicContact CG-CG1 4.34Å; I193-F195 HydrophobicContact CG2-CE1 4.25Å; I193-F195 HydrophobicContact CG2-CE2 4.23Å; I193-F195 HydrophobicContact CG2-CZ 3.98Å; I193-M205 HydrophobicContact CD1-CE 3.82Å; I193-M205 HydrophobicContact CD1-SD 4.22Å; I193-M205 HydrophobicContact CG2-CE 4.32Å; I193-M205 HydrophobicContact CG2-SD 4.42Å; I193-I207 HydrophobicContact CD1-CD1 4.1Å; I193-I233 HydrophobicContact CD1-CD1 3.35Å; I193-I233 HydrophobicContact CD1-CG1 4.3Å; I193-I233 HydrophobicContact CD1-CG2 4.25Å; I193-S243 CarbonylContact O-C 3.45Å; I193-S243 WeakPolarHBondContact O-CA 3.43Å; I193-S243 VanDerWaalsContact O-CB 3.22Å; I193-S243 WeakPolarHBondContact O-CB 3.34Å; I193-I244 PolarHBondContact N-O 3.29Å; I193-I244 PolarHBondContact O-N 2.86Å; I193-I246 HydrophobicContact CD1-CD1 4.03Å; I193-I246 HydrophobicContact CD1-CG1 4.1Å; I193-I246 HydrophobicContact CG1-CD1 4.45Å; I193-I246 HydrophobicContact CG1-CG1 4.03Å |
| 194 | Y | 96.1 | Very high | 94.2 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.9 | 177.9 | -55.4 | -87.3 | 0 | 0 | 0 | 110.1 | I174 E175 E177 K192 L196 | I174-Y194 WeakPolarHBondContact CA-O 3.34Å; E175-Y194 HydrophobicContact CB-CD2 4.4Å; E175-Y194 PolarHBondContact N-O 2.88Å; E175-Y194 PolarHBondContact O-N 2.95Å; E177-Y194 HydrophobicContact CB-CE2 3.89Å; E177-Y194 PolarHBondContact OE2-OH 2.77Å; E177-Y194 VanDerWaalsContact OE2-OH 3.06Å; K192-Y194 HydrophobicContact CB-CE2 4.07Å; K192-Y194 HydrophobicContact CD-CE1 3.74Å; K192-Y194 HydrophobicContact CG-CE1 4.08Å; K192-Y194 HydrophobicContact CG-CE2 4.27Å; Y194-L196 PolarHBondContact O-N 2.96Å |
| 195 | F | 94.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 91.8 | 177.2 | -61.4 | -78.9 | 0 | 0 | 0 | 109.8 | I174 I193 V198 M205 M234 P238 R240 G241 E242 I244 | I174-F195 HydrophobicContact CD1-CD1 3.65Å; I174-F195 HydrophobicContact CD1-CE1 3.72Å; I174-F195 HydrophobicContact CG1-CD1 3.73Å; I174-F195 HydrophobicContact CG1-CE1 4.2Å; I193-F195 HydrophobicContact CG2-CE1 4.25Å; I193-F195 HydrophobicContact CG2-CE2 4.23Å; I193-F195 HydrophobicContact CG2-CZ 3.98Å; F195-V198 HydrophobicContact CB-CG2 3.85Å; F195-V198 HydrophobicContact CD1-CG2 4.02Å; F195-V198 HydrophobicContact CG-CG2 4.35Å; F195-M205 HydrophobicContact CE1-CE 4.06Å; F195-M205 HydrophobicContact CE1-SD 4.18Å; F195-M205 HydrophobicContact CZ-CE 3.59Å; F195-M205 HydrophobicContact CZ-SD 4.3Å; F195-M234 HydrophobicContact CE1-SD 4.32Å; F195-M234 HydrophobicContact CZ-SD 3.75Å; F195-P238 HydrophobicContact CD1-CB 3.63Å; F195-P238 HydrophobicContact CD1-CG 3.45Å; F195-P238 VanDerWaalsContact CD1-CG 3.45Å; F195-P238 HydrophobicContact CD2-CB 3.78Å; F195-P238 HydrophobicContact CD2-CG 4.49Å; F195-P238 HydrophobicContact CE1-CB 3.63Å; F195-P238 HydrophobicContact CE1-CG 3.29Å; F195-P238 HydrophobicContact CE2-CB 3.74Å; F195-P238 HydrophobicContact CE2-CG 4.34Å; F195-P238 HydrophobicContact CG-CB 3.72Å; F195-P238 HydrophobicContact CG-CG 4.08Å; F195-P238 HydrophobicContact CZ-CB 3.65Å; F195-P238 HydrophobicContact CZ-CG 3.75Å; F195-R240 WeakPolarHBondContact O-CA 3.42Å; F195-G241 PolarHBondContact O-N 3.47Å; F195-E242 HydrophobicContact CD2-CB 3.9Å; F195-E242 WeakPolarHBondContact CD2-O 3.45Å; F195-E242 PolarHBondContact N-O 3Å; F195-E242 VanDerWaalsContact N-O 3.1Å; F195-I244 HydrophobicContact CE2-CD1 3.73Å; F195-I244 HydrophobicContact CE2-CG1 3.99Å; F195-I244 HydrophobicContact CZ-CD1 3.93Å |
| 196 | L | 93.6 | Very high | 94 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 37% | 0.366 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -36.6 | -174.5 | -57.1 | 178.2 | 0 | 0 | 0 | 112.2 | H173 E175 Y194 R240 | H173-L196 HydrophobicContact CB-CB 4.16Å; H173-L196 WeakPolarHBondContact O-CA 3.09Å; H173-L196 WeakPolarHBondContact O-CB 3.3Å; H173-L196 PolarHBondContact O-N 3.34Å; E175-L196 HydrophobicContact CB-CD1 4.22Å; Y194-L196 PolarHBondContact O-N 2.96Å; L196-R240 WeakPolarHBondContact O-CD 3.45Å; L196-R240 WeakPolarHBondContact O-CG 3.38Å; L196-R240 PolarHBondContact O-NE 2.82Å; L196-R240 VanDerWaalsContact O-NE 3.14Å |
| 197 | L | 93.4 | Very high | 94 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 20% | 0.199 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 128 | 173.7 | -178.6 | 65 | 0 | 0 | 0 | 109.5 | L172 H173 R199 | L172-L197 CarbonylContact C-O 3.59Å; L172-L197 WeakPolarHBondContact CA-O 3.49Å; H173-L197 HydrophobicContact CB-CB 3.76Å; H173-L197 PolarHBondContact N-O 2.79Å; H173-L197 PolarHBondContact O-N 2.73Å; L197-R199 HydrophobicContact CD1-CG 3.98Å; L197-R199 HydrophobicContact CG-CG 4.38Å |
| 198 | V | 92.1 | Very high | 94.1 | Very high | 31 Ų | 31 | 41.8 Ų | 41.8 | 19% | 0.188 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 92.4 | 177.1 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | F195 I200 I202 P238 | F195-V198 HydrophobicContact CB-CG2 3.85Å; F195-V198 HydrophobicContact CD1-CG2 4.02Å; F195-V198 HydrophobicContact CG-CG2 4.35Å; V198-I200 VanDerWaalsContact CG1-O 3.3Å; V198-I200 WeakPolarHBondContact CG1-O 3.25Å; V198-I202 HydrophobicContact CG1-CD1 4.18Å; V198-I202 HydrophobicContact CG1-CG1 4.37Å; V198-P238 HydrophobicContact CG1-CG 4.37Å; V198-P238 HydrophobicContact CG2-CG 4.39Å |
| 199 | R | 91.1 | Very high | 94.2 | Very high | 168 Ų | 168 | 40.4 Ų | 40.4 | 63% | 0.634 | 19% | 0.188 | S | C | * | . | trans | -102.4 | -18.7 | 170.9 | -58.8 | -160.6 | -179.7 | 146 | -10.5 | 112.7 | D170 C171 L197 | D170-R199 WeakPolarHBondContact O-CD 3.45Å; D170-R199 PolarHBondContact O-NH1 2.82Å; C171-R199 WeakPolarHBondContact O-CA 3.06Å; C171-R199 WeakPolarHBondContact O-CB 3.45Å; C171-R199 PolarHBondContact O-N 3.45Å; L197-R199 HydrophobicContact CD1-CG 3.98Å; L197-R199 HydrophobicContact CG-CG 4.38Å | ||
| 200 | I | 90.1 | Very high | 94.3 | Very high | 27 Ų | 27 | 41.2 Ų | 41.2 | 14% | 0.138 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -91.2 | 138.4 | 172.5 | -61.3 | 174.3 | 0 | 0 | 0 | 108.6 | I168 C171 V198 I202 D278 | I168-I200 HydrophobicContact CD1-CD1 3.95Å; C171-I200 HydrophobicContact CB-CD1 3.79Å; C171-I200 HydrophobicContact CB-CG1 4.06Å; V198-I200 VanDerWaalsContact CG1-O 3.3Å; V198-I200 WeakPolarHBondContact CG1-O 3.25Å; I200-I202 PolarHBondContact O-N 2.81Å; I200-D278 HydrophobicContact CG2-CB 3.56Å |
| 201 | K | 89.9 | Confident | 94.4 | Very high | 123 Ų | 123 | 39.8 Ų | 39.8 | 54% | 0.535 | 18% | 0.181 | S | C | . | . | trans | -76.6 | 113.1 | 174.5 | -65.9 | -178.7 | 176.8 | -175.5 | 0 | 110.3 | D278 E279 | K201-D278 WeakPolarHBondContact O-CA 3.48Å; K201-D278 VanDerWaalsContact O-CB 3.3Å; K201-D278 WeakPolarHBondContact O-CB 3.49Å; K201-E279 HydrophobicContact CB-CG 3.85Å; K201-E279 HydrophobicContact CD-CG 4.48Å; K201-E279 WeakPolarHBondContact CD-OE1 3.42Å; K201-E279 WeakPolarHBondContact CD-OE2 3.3Å; K201-E279 IonicContact NZ-OE1 3.54Å; K201-E279 IonicContact NZ-OE2 3.53Å; K201-E279 PolarHBondContact O-N 3.47Å; K201-E279 VanDerWaalsContact O-N 3.14Å | ||
| 202 | I | 90.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 131.3 | 177.4 | -53.8 | 176.9 | 0 | 0 | 0 | 108 | L172 I174 V198 I200 G236 P238 L276 | L172-I202 HydrophobicContact CD1-CD1 4Å; I174-I202 HydrophobicContact CD1-CD1 3.58Å; V198-I202 HydrophobicContact CG1-CD1 4.18Å; V198-I202 HydrophobicContact CG1-CG1 4.37Å; I200-I202 PolarHBondContact O-N 2.81Å; I202-G236 CarbonylContact O-C 3.59Å; I202-P238 HydrophobicContact CD1-CG 3.79Å; I202-L276 HydrophobicContact CD1-CD2 4.1Å |
| 203 | K | 91.6 | Very high | 94.6 | Very high | 98 Ų | 98 | 39.1 Ų | 39.1 | 43% | 0.426 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -48.6 | 175.7 | 178.3 | 179.4 | 174.3 | 179.4 | 0 | 110.7 | I277 E281 | K203-I277 WeakPolarHBondContact CA-O 3.48Å; K203-I277 WeakPolarHBondContact CB-O 3.48Å; K203-I277 PolarHBondContact N-O 2.89Å; K203-E281 IonicContact NZ-OE1 3.92Å; K203-E281 PolarHBondContact NZ-OE1 2.98Å |
| 204 | H | 92 | Very high | 94.7 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 19% | 0.19 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 143.5 | -174.9 | -175.8 | 74 | 0 | 0 | 0 | 111.2 | E206 L276 I277 | H204-E206 IonicContact CD2-OE2 2.91Å; H204-E206 IonicContact CE1-OE2 3.54Å; H204-E206 IonicContact NE2-OE2 2.95Å; H204-E206 PolarHBondContact NE2-OE2 3.05Å; H204-L276 WeakPolarHBondContact O-CA 3.23Å; H204-I277 HydrophobicContact CB-CB 4.13Å; H204-I277 HydrophobicContact CB-CD1 4.38Å; H204-I277 HydrophobicContact CB-CG1 4.37Å; H204-I277 PolarHBondContact N-O 2.79Å; H204-I277 PolarHBondContact O-N 2.78Å |
| 205 | M | 93.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 133.6 | 172 | -173.3 | 175.7 | 61.2 | 0 | 0 | 111.2 | I193 F195 I233 M234 I244 L274 V275 L276 | I193-M205 HydrophobicContact CD1-CE 3.82Å; I193-M205 HydrophobicContact CD1-SD 4.22Å; I193-M205 HydrophobicContact CG2-CE 4.32Å; I193-M205 HydrophobicContact CG2-SD 4.42Å; F195-M205 HydrophobicContact CE1-CE 4.06Å; F195-M205 HydrophobicContact CE1-SD 4.18Å; F195-M205 HydrophobicContact CZ-CE 3.59Å; F195-M205 HydrophobicContact CZ-SD 4.3Å; M205-I233 HydrophobicContact CE-CB 3.84Å; M205-I233 HydrophobicContact CE-CD1 3.98Å; M205-I233 HydrophobicContact CE-CG2 3.46Å; M205-I233 VanDerWaalsContact CE-CG2 3.46Å; M205-I233 HydrophobicContact CG-CD1 4.02Å; M205-I233 PolarHBondContact O-N 2.87Å; M205-I233 HydrophobicContact SD-CD1 4.46Å; M205-M234 HydrophobicContact CB-CG 4.19Å; M205-M234 HydrophobicContact CE-CG 4.19Å; M205-M234 HydrophobicContact CE-SD 3.85Å; M205-M234 PolarHBondContact N-O 3.27Å; M205-I244 HydrophobicContact CE-CD1 4.39Å; M205-L274 HydrophobicContact CG-CD1 4.1Å; M205-L274 HydrophobicContact SD-CD1 4.23Å; M205-V275 WeakPolarHBondContact CA-O 3.41Å; M205-L276 HydrophobicContact CG-CD2 4.12Å; M205-L276 HydrophobicContact CG-CG 4.13Å; M205-L276 HydrophobicContact SD-CD2 3.84Å; M205-L276 HydrophobicContact SD-CG 4.41Å |
| 206 | E | 95.3 | Very high | 94.4 | Very high | 17 Ų | 17 | 38.3 Ų | 38.3 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156.2 | 178.5 | 63.6 | -171.8 | -165.5 | 0 | 0 | 112.2 | H204 Y231 V275 | H204-E206 IonicContact CD2-OE2 2.91Å; H204-E206 IonicContact CE1-OE2 3.54Å; H204-E206 IonicContact NE2-OE2 2.95Å; H204-E206 PolarHBondContact NE2-OE2 3.05Å; E206-Y231 CarbonylContact C-O 3.48Å; E206-Y231 VanDerWaalsContact CA-O 3.23Å; E206-Y231 WeakPolarHBondContact CA-O 3.21Å; E206-Y231 WeakPolarHBondContact CB-O 3.45Å; E206-V275 HydrophobicContact CG-CB 3.73Å; E206-V275 HydrophobicContact CG-CG1 4.31Å; E206-V275 HydrophobicContact CG-CG2 4.32Å; E206-V275 PolarHBondContact N-O 2.94Å; E206-V275 PolarHBondContact O-N 3.06Å |
| 207 | I | 96.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 122.8 | 165.6 | -70.2 | 163.6 | 0 | 0 | 0 | 108.3 | F176 I193 Y231 I233 I246 L248 L272 N273 L274 | F176-I207 HydrophobicContact CD1-CD1 4.3Å; F176-I207 HydrophobicContact CD2-CD1 4.17Å; F176-I207 HydrophobicContact CE1-CD1 3.99Å; F176-I207 HydrophobicContact CE2-CD1 3.85Å; F176-I207 HydrophobicContact CG-CD1 4.39Å; F176-I207 HydrophobicContact CZ-CD1 3.75Å; I193-I207 HydrophobicContact CD1-CD1 4.1Å; I207-Y231 PolarHBondContact N-O 3.37Å; I207-Y231 WeakPolarHBondContact O-CB 2.99Å; I207-Y231 PolarHBondContact O-N 3.39Å; I207-I233 HydrophobicContact CB-CD1 4.39Å; I207-I233 HydrophobicContact CD1-CD1 3.77Å; I207-I233 HydrophobicContact CG1-CD1 3.67Å; I207-I246 HydrophobicContact CD1-CG1 4.27Å; I207-I246 HydrophobicContact CD1-CG2 4.23Å; I207-L248 HydrophobicContact CG2-CD1 3.94Å; I207-L272 HydrophobicContact CG2-CD2 4.2Å; I207-N273 WeakPolarHBondContact CA-O 3.17Å; I207-L274 HydrophobicContact CG1-CD1 3.91Å |
| 208 | D | 97.7 | Very high | 92.8 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 147.9 | 174.3 | -54.7 | -33.8 | 0 | 0 | 0 | 111.5 | I210 T227 A229 K230 L272 N273 | D208-I210 HydrophobicContact CB-CD1 4.39Å; D208-I210 HydrophobicContact CB-CG1 3.92Å; D208-T227 HydrophobicContact CB-CG2 4.09Å; D208-A229 CarbonylContact C-O 3.53Å; D208-A229 WeakPolarHBondContact CA-O 3.16Å; D208-K230 WeakPolarHBondContact OD1-CG 3.14Å; D208-L272 WeakPolarHBondContact O-CA 3.41Å; D208-N273 HydrophobicContact CB-CB 4.19Å; D208-N273 PolarHBondContact N-O 3.06Å; D208-N273 PolarHBondContact O-N 2.87Å; D208-N273 PolarHBondContact OD2-ND2 3.01Å |
| 209 | I | 98.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 110.2 | 159.2 | -58.4 | 176.1 | 0 | 0 | 0 | 107.2 | I228 A229 L250 Y253 Y270 Y271 L272 | I209-I228 HydrophobicContact CB-CB 4.41Å; I209-I228 HydrophobicContact CG2-CB 4.28Å; I209-I228 WeakPolarHBondContact O-CB 3.07Å; I209-I228 PolarHBondContact O-N 3.24Å; I209-A229 HydrophobicContact CB-CB 4Å; I209-A229 HydrophobicContact CD1-CB 4.02Å; I209-A229 HydrophobicContact CG1-CB 4.06Å; I209-A229 PolarHBondContact N-O 3.39Å; I209-A229 PolarHBondContact O-N 2.96Å; I209-L250 HydrophobicContact CD1-CD2 3.64Å; I209-Y253 HydrophobicContact CD1-CD2 4.34Å; I209-Y253 HydrophobicContact CD1-CE2 4.34Å; I209-Y270 HydrophobicContact CG2-CD1 4.32Å; I209-Y271 WeakPolarHBondContact CA-O 3.41Å; I209-L272 HydrophobicContact CG1-CD2 4.04Å |
| 210 | I | 98.4 | Very high | 92 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 10% | 0.097 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.6 | 179.8 | -57.5 | -179 | 0 | 0 | 0 | 109.3 | D208 N225 D226 Y270 Y271 N273 | D208-I210 HydrophobicContact CB-CD1 4.39Å; D208-I210 HydrophobicContact CB-CG1 3.92Å; I210-N225 HydrophobicContact CG2-CB 4.3Å; I210-D226 WeakPolarHBondContact CA-O 3.36Å; I210-Y270 CarbonylContact O-C 3.51Å; I210-Y270 WeakPolarHBondContact O-CA 2.9Å; I210-Y271 PolarHBondContact N-O 2.83Å; I210-Y271 PolarHBondContact O-N 2.84Å; I210-N273 HydrophobicContact CD1-CB 3.53Å; I210-N273 HydrophobicContact CG1-CB 4.06Å |
| 211 | K | 98.6 | Very high | 92.2 | Very high | 31 Ų | 31 | 42 Ų | 42 | 14% | 0.135 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125 | 166.5 | 175.8 | -172.4 | 167.8 | -168.3 | 0 | 108.3 | Y119 N225 D226 I228 V268 R269 Y270 | Y119-K211 WeakPolarHBondContact OH-CE 3.44Å; Y119-K211 PolarHBondContact OH-NZ 3.32Å; K211-N225 CarbonylContact O-C 3.52Å; K211-N225 WeakPolarHBondContact O-CA 3.31Å; K211-D226 HydrophobicContact CB-CB 4.36Å; K211-D226 PolarHBondContact N-O 3.31Å; K211-D226 PolarHBondContact O-N 3.3Å; K211-I228 HydrophobicContact CB-CD1 3.78Å; K211-I228 HydrophobicContact CB-CG1 3.67Å; K211-I228 HydrophobicContact CD-CD1 4.08Å; K211-V268 HydrophobicContact CD-CG1 4.32Å; K211-V268 HydrophobicContact CG-CG1 3.98Å; K211-R269 CarbonylContact C-O 3.56Å; K211-R269 WeakPolarHBondContact CA-O 3.39Å; K211-Y270 HydrophobicContact CB-CD1 4.05Å; K211-Y270 HydrophobicContact CB-CE1 3.74Å; K211-Y270 HydrophobicContact CD-CE1 4.3Å; K211-Y270 HydrophobicContact CG-CE1 3.92Å |
| 212 | R | 98.5 | Very high | 92.4 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 26% | 0.26 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 116.2 | 171.8 | -175 | 177 | -64.5 | -137.7 | 1.6 | 109.6 | E224 N225 V268 R269 Y271 | R212-E224 CarbonylContact C-O 3.59Å; R212-E224 WeakPolarHBondContact CA-O 3.34Å; R212-N225 WeakPolarHBondContact CG-OD1 3.23Å; R212-N225 PolarHBondContact NE-OD1 2.51Å; R212-V268 WeakPolarHBondContact O-CA 3.34Å; R212-R269 PolarHBondContact N-O 3.07Å; R212-R269 PolarHBondContact O-N 3.08Å; R212-Y271 HydrophobicContact CB-CD2 4.33Å; R212-Y271 HydrophobicContact CB-CE2 3.86Å |
| 213 | E | 98.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 2% | 0.023 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 131.6 | 167.3 | -177.6 | -176.3 | 118.4 | 0 | 0 | 108.7 | Y119 G121 Q122 N123 V124 T215 H223 E224 S267 | Y119-E213 WeakPolarHBondContact CE1-OE2 3.43Å; Y119-E213 PolarHBondContact OH-OE2 3.39Å; G121-E213 WeakPolarHBondContact CA-OE2 3.43Å; Q122-E213 PolarHBondContact N-OE1 2.71Å; Q122-E213 PolarHBondContact N-OE2 3.44Å; N123-E213 WeakPolarHBondContact CA-OE1 3.09Å; N123-E213 WeakPolarHBondContact CB-OE1 3.32Å; N123-E213 PolarHBondContact N-OE1 3.31Å; V124-E213 HydrophobicContact CG1-CG 4.3Å; E213-T215 PolarHBondContact OE1-OG1 3.12Å; E213-H223 WeakPolarHBondContact O-CA 3.19Å; E213-E224 HydrophobicContact CB-CB 4.26Å; E213-E224 PolarHBondContact N-O 2.73Å; E213-E224 PolarHBondContact O-N 2.89Å; E213-S267 CarbonylContact C-O 3.41Å; E213-S267 WeakPolarHBondContact CA-O 3.49Å |
| 214 | T | 97.8 | Very high | 92.9 | Very high | 34 Ų | 34 | 44.1 Ų | 44.1 | 21% | 0.209 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.3 | 174.4 | -62.2 | 0 | 0 | 0 | 0 | 108.1 | V221 Y222 H223 F266 S267 | T214-V221 HydrophobicContact CG2-CG1 3.57Å; T214-Y222 CarbonylContact C-O 3.48Å; T214-Y222 VanDerWaalsContact CA-O 3.32Å; T214-Y222 WeakPolarHBondContact CA-O 3.46Å; T214-H223 VanDerWaalsContact CG2-CE1 3.43Å; T214-H223 WeakPolarHBondContact CG2-CE1 3.49Å; T214-H223 WeakPolarHBondContact CG2-ND1 3.47Å; T214-H223 PolarHBondContact OG1-ND1 2.77Å; T214-F266 CarbonylContact O-C 3.59Å; T214-F266 WeakPolarHBondContact O-CA 3.39Å; T214-F266 VanDerWaalsContact O-CB 3.3Å; T214-F266 WeakPolarHBondContact O-CB 3.46Å; T214-S267 PolarHBondContact N-O 3.17Å; T214-S267 PolarHBondContact O-N 2.96Å |
| 215 | T | 96.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.8 | -170.7 | -56.3 | 0 | 0 | 0 | 0 | 109.5 | L76 Y78 N123 V124 E213 Y222 F266 | L76-T215 HydrophobicContact CD2-CG2 3.45Å; L76-T215 VanDerWaalsContact CD2-CG2 3.45Å; Y78-T215 HydrophobicContact CE1-CG2 4.05Å; N123-T215 HydrophobicContact CB-CG2 4.37Å; V124-T215 HydrophobicContact CB-CG2 3.87Å; V124-T215 HydrophobicContact CG1-CG2 4.45Å; E213-T215 PolarHBondContact OE1-OG1 3.12Å; T215-Y222 PolarHBondContact N-O 3.11Å; T215-Y222 PolarHBondContact O-N 3.06Å; T215-F266 HydrophobicContact CG2-CB 4.35Å |
| 216 | G | 89.1 | Confident | 93.2 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 115.7 | 171.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y78 N220 K265 | Y78-G216 WeakPolarHBondContact OH-CA 3.44Å; G216-N220 WeakPolarHBondContact CA-O 3.07Å; G216-K265 PolarHBondContact N-O 2.89Å |
| 217 | T | 77.8 | Confident | 93.4 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 41% | 0.405 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 140.1 | -176.9 | 49.7 | 0 | 0 | 0 | 0 | 110.9 | K264 K265 | T217-K264 WeakPolarHBondContact CG2-O 3.29Å; T217-K265 HydrophobicContact CG2-CD 4.12Å |
| 218 | G | 75.4 | Confident | 93.4 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | -130.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | N220 V221 | G218-N220 VanDerWaalsContact C-N 3.32Å; G218-N220 PolarHBondContact O-N 2.88Å; G218-V221 WeakPolarHBondContact O-CG2 2.94Å |
| 219 | P | 79.2 | Confident | 93.3 | Very high | 125 Ų | 125 | 54.1 Ų | 54.1 | 81% | 0.812 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -18.9 | -173.5 | 30 | -34.7 | 0 | 0 | 0 | 114.1 | ||
| 220 | N | 86.6 | Confident | 93.2 | Very high | 94 Ų | 94 | 60 Ų | 60 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 80.5 | -175.6 | -62.4 | -27.5 | 0 | 0 | 0 | 110 | G216 G218 Y222 | G216-N220 WeakPolarHBondContact CA-O 3.07Å; G218-N220 VanDerWaalsContact C-N 3.32Å; G218-N220 PolarHBondContact O-N 2.88Å; N220-Y222 HydrophobicContact CB-CE2 4.17Å |
| 221 | V | 93.7 | Very high | 93 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 39% | 0.394 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.4 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | T214 G218 | T214-V221 HydrophobicContact CG2-CG1 3.57Å; G218-V221 WeakPolarHBondContact O-CG2 2.94Å |
| 222 | Y | 94.5 | Very high | 92.8 | Very high | 93 Ų | 93 | 68.3 Ų | 68.3 | 37% | 0.365 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 141.3 | 178.9 | -56.6 | -88.3 | 0 | 0 | 0 | 109.6 | Y78 T214 T215 N220 | Y78-Y222 AromaticContact CD1-CD2 3.74Å; Y78-Y222 HydrophobicContact CD1-CD2 3.74Å; Y78-Y222 AromaticContact CD1-CE2 3.55Å; Y78-Y222 HydrophobicContact CD1-CE2 3.55Å; Y78-Y222 HydrophobicContact CD2-CE2 4.15Å; Y78-Y222 HydrophobicContact CE1-CD2 4.03Å; Y78-Y222 AromaticContact CE1-CE2 3.95Å; Y78-Y222 HydrophobicContact CE1-CE2 3.95Å; Y78-Y222 HydrophobicContact CG-CD2 4.3Å; Y78-Y222 AromaticContact CG-CE2 3.65Å; Y78-Y222 HydrophobicContact CG-CE2 3.65Å; T214-Y222 CarbonylContact C-O 3.48Å; T214-Y222 VanDerWaalsContact CA-O 3.32Å; T214-Y222 WeakPolarHBondContact CA-O 3.46Å; T215-Y222 PolarHBondContact N-O 3.11Å; T215-Y222 PolarHBondContact O-N 3.06Å; N220-Y222 HydrophobicContact CB-CE2 4.17Å |
| 223 | H | 95.3 | Very high | 92.4 | Very high | 102 Ų | 102 | 66.3 Ų | 66.3 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.3 | 179.6 | -61.8 | -71.5 | 0 | 0 | 0 | 110.1 | E213 T214 | E213-H223 WeakPolarHBondContact O-CA 3.19Å; T214-H223 VanDerWaalsContact CG2-CE1 3.43Å; T214-H223 WeakPolarHBondContact CG2-CE1 3.49Å; T214-H223 WeakPolarHBondContact CG2-ND1 3.47Å; T214-H223 PolarHBondContact OG1-ND1 2.77Å |
| 224 | E | 97.2 | Very high | 91.7 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.1 | 172.8 | -61.1 | -64.2 | 158.9 | 0 | 0 | 108.9 | Q122 N123 R212 E213 | Q122-E224 HydrophobicContact CB-CB 4.3Å; Q122-E224 HydrophobicContact CB-CG 3.97Å; Q122-E224 HydrophobicContact CG-CB 4.43Å; Q122-E224 HydrophobicContact CG-CG 3.8Å; N123-E224 WeakPolarHBondContact ND2-CG 3.37Å; N123-E224 PolarHBondContact ND2-OE1 3.17Å; R212-E224 CarbonylContact C-O 3.59Å; R212-E224 WeakPolarHBondContact CA-O 3.34Å; E213-E224 HydrophobicContact CB-CB 4.26Å; E213-E224 PolarHBondContact N-O 2.73Å; E213-E224 PolarHBondContact O-N 2.89Å |
| 225 | N | 96.8 | Very high | 90.6 | Very high | 90 Ų | 90 | 73.4 Ų | 73.4 | 48% | 0.481 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.2 | 174.3 | -60 | -65.1 | 0 | 0 | 0 | 108.8 | I210 K211 R212 | I210-N225 HydrophobicContact CG2-CB 4.3Å; K211-N225 CarbonylContact O-C 3.52Å; K211-N225 WeakPolarHBondContact O-CA 3.31Å; R212-N225 WeakPolarHBondContact CG-OD1 3.23Å; R212-N225 PolarHBondContact NE-OD1 2.51Å |
| 226 | D | 97.1 | Very high | 89.4 | Confident | 84 Ų | 84 | 74.7 Ų | 74.7 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 121.6 | 177.3 | -178.1 | 13.6 | 0 | 0 | 0 | 108.8 | I210 K211 I228 | I210-D226 WeakPolarHBondContact CA-O 3.36Å; K211-D226 HydrophobicContact CB-CB 4.36Å; K211-D226 PolarHBondContact N-O 3.31Å; K211-D226 PolarHBondContact O-N 3.3Å; D226-I228 HydrophobicContact CB-CD1 4.27Å; D226-I228 PolarHBondContact O-N 3.29Å; D226-I228 VanDerWaalsContact OD2-CD1 3.29Å; D226-I228 WeakPolarHBondContact OD2-CD1 3.23Å |
| 227 | T | 97.6 | Very high | 88.9 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 38% | 0.38 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 97.2 | 176.2 | -58.8 | 0 | 0 | 0 | 0 | 108.6 | D208 K230 | D208-T227 HydrophobicContact CB-CG2 4.09Å; T227-K230 HydrophobicContact CG2-CD 4.29Å; T227-K230 HydrophobicContact CG2-CG 3.59Å |
| 228 | I | 97.2 | Very high | 89.4 | Confident | 34 Ų | 34 | 74.2 Ų | 74.2 | 17% | 0.174 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | -38.2 | -174.8 | -55.5 | -58.3 | 0 | 0 | 0 | 112 | I209 K211 D226 Y253 L255 Y270 | I209-I228 HydrophobicContact CB-CB 4.41Å; I209-I228 HydrophobicContact CG2-CB 4.28Å; I209-I228 WeakPolarHBondContact O-CB 3.07Å; I209-I228 PolarHBondContact O-N 3.24Å; K211-I228 HydrophobicContact CB-CD1 3.78Å; K211-I228 HydrophobicContact CB-CG1 3.67Å; K211-I228 HydrophobicContact CD-CD1 4.08Å; D226-I228 HydrophobicContact CB-CD1 4.27Å; D226-I228 PolarHBondContact O-N 3.29Å; D226-I228 VanDerWaalsContact OD2-CD1 3.29Å; D226-I228 WeakPolarHBondContact OD2-CD1 3.23Å; I228-Y253 HydrophobicContact CG2-CD1 4.31Å; I228-Y253 HydrophobicContact CG2-CG 4.21Å; I228-L255 HydrophobicContact CG2-CD2 3.85Å; I228-Y270 HydrophobicContact CG1-CE1 4.47Å |
| 229 | A | 96.3 | Very high | 90.1 | Very high | 7 Ų | 7 | 75.3 Ų | 75.3 | 6% | 0.058 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 143.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | D208 I209 Y253 | D208-A229 CarbonylContact C-O 3.53Å; D208-A229 WeakPolarHBondContact CA-O 3.16Å; I209-A229 HydrophobicContact CB-CB 4Å; I209-A229 HydrophobicContact CD1-CB 4.02Å; I209-A229 HydrophobicContact CG1-CB 4.06Å; I209-A229 PolarHBondContact N-O 3.39Å; I209-A229 PolarHBondContact O-N 2.96Å; A229-Y253 HydrophobicContact CB-CD1 3.88Å; A229-Y253 HydrophobicContact CB-CD2 4.27Å; A229-Y253 HydrophobicContact CB-CE1 3.37Å; A229-Y253 HydrophobicContact CB-CE2 3.8Å; A229-Y253 HydrophobicContact CB-CG 4.31Å |
| 230 | K | 96.2 | Very high | 90.7 | Very high | 129 Ų | 129 | 78.6 Ų | 78.6 | 56% | 0.561 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.4 | 166.7 | -60 | -168.8 | 175.7 | -173.7 | 0 | 107.9 | D208 T227 | D208-K230 WeakPolarHBondContact OD1-CG 3.14Å; T227-K230 HydrophobicContact CG2-CD 4.29Å; T227-K230 HydrophobicContact CG2-CG 3.59Å |
| 231 | Y | 94.3 | Very high | 90.9 | Very high | 84 Ų | 84 | 77.3 Ų | 77.3 | 33% | 0.329 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 96.5 | 176.9 | -170.8 | -94.9 | 0 | 0 | 0 | 108.7 | E206 I207 I233 I246 L248 | E206-Y231 CarbonylContact C-O 3.48Å; E206-Y231 VanDerWaalsContact CA-O 3.23Å; E206-Y231 WeakPolarHBondContact CA-O 3.21Å; E206-Y231 WeakPolarHBondContact CB-O 3.45Å; I207-Y231 PolarHBondContact N-O 3.37Å; I207-Y231 WeakPolarHBondContact O-CB 2.99Å; I207-Y231 PolarHBondContact O-N 3.39Å; Y231-I233 HydrophobicContact CD1-CG1 3.81Å; Y231-I233 HydrophobicContact CE1-CG1 4.15Å; Y231-I233 PolarHBondContact O-N 3.48Å; Y231-I246 HydrophobicContact CD1-CD1 4.49Å; Y231-I246 HydrophobicContact CE1-CD1 3.96Å; Y231-L248 HydrophobicContact CD1-CD2 3.68Å; Y231-L248 HydrophobicContact CD2-CD2 3.24Å; Y231-L248 HydrophobicContact CE1-CD2 4.13Å; Y231-L248 HydrophobicContact CE2-CD2 3.74Å; Y231-L248 HydrophobicContact CG-CD2 3.2Å |
| 232 | E | 93.4 | Very high | 90.9 | Very high | 140 Ų | 140 | 78.5 Ų | 78.5 | 65% | 0.654 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 124.9 | 175 | -61.1 | 179.9 | -175.7 | 0 | 0 | 109.1 | ||
| 233 | I | 89.5 | Confident | 90.9 | Very high | 28 Ų | 28 | 76.2 Ų | 76.2 | 14% | 0.144 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -48.4 | -172.5 | -64.1 | 155 | 0 | 0 | 0 | 110.7 | I193 M205 I207 Y231 I244 I246 | I193-I233 HydrophobicContact CD1-CD1 3.35Å; I193-I233 HydrophobicContact CD1-CG1 4.3Å; I193-I233 HydrophobicContact CD1-CG2 4.25Å; M205-I233 HydrophobicContact CE-CB 3.84Å; M205-I233 HydrophobicContact CE-CD1 3.98Å; M205-I233 HydrophobicContact CE-CG2 3.46Å; M205-I233 VanDerWaalsContact CE-CG2 3.46Å; M205-I233 HydrophobicContact CG-CD1 4.02Å; M205-I233 PolarHBondContact O-N 2.87Å; M205-I233 HydrophobicContact SD-CD1 4.46Å; I207-I233 HydrophobicContact CB-CD1 4.39Å; I207-I233 HydrophobicContact CD1-CD1 3.77Å; I207-I233 HydrophobicContact CG1-CD1 3.67Å; Y231-I233 HydrophobicContact CD1-CG1 3.81Å; Y231-I233 HydrophobicContact CE1-CG1 4.15Å; Y231-I233 PolarHBondContact O-N 3.48Å; I233-I244 HydrophobicContact CG2-CB 4.43Å; I233-I244 HydrophobicContact CG2-CD1 3.75Å; I233-I244 HydrophobicContact CG2-CG2 3.89Å; I233-I246 HydrophobicContact CD1-CD1 4.33Å; I233-I246 HydrophobicContact CG1-CD1 4Å; I233-I246 HydrophobicContact CG2-CD1 4.25Å |
| 234 | M | 83.6 | Confident | 90.9 | Very high | 37 Ų | 37 | 73.4 Ų | 73.4 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 151 | -177.5 | 80.6 | -169.5 | -61.6 | 0 | 0 | 113.1 | F195 M205 G236 P238 I244 | F195-M234 HydrophobicContact CE1-SD 4.32Å; F195-M234 HydrophobicContact CZ-SD 3.75Å; M205-M234 HydrophobicContact CB-CG 4.19Å; M205-M234 HydrophobicContact CE-CG 4.19Å; M205-M234 HydrophobicContact CE-SD 3.85Å; M205-M234 PolarHBondContact N-O 3.27Å; M234-G236 WeakPolarHBondContact CE-O 3.14Å; M234-P238 HydrophobicContact CE-CB 3.69Å; M234-P238 HydrophobicContact CE-CG 3.91Å; M234-P238 HydrophobicContact SD-CB 4.04Å; M234-P238 HydrophobicContact SD-CG 3.81Å; M234-I244 HydrophobicContact SD-CD1 4.13Å |
| 235 | D | 75 | Confident | 90.9 | Very high | 150 Ų | 150 | 74.5 Ų | 74.5 | 80% | 0.802 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.3 | 161.7 | -172.7 | -2.3 | 0 | 0 | 0 | 106.7 | ||
| 236 | G | 72.2 | Confident | 90.9 | Very high | 28 Ų | 28 | 70.3 Ų | 70.3 | 29% | 0.289 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 127.6 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | I202 M234 P238 | I202-G236 CarbonylContact O-C 3.59Å; M234-G236 WeakPolarHBondContact CE-O 3.14Å; G236-P238 VanDerWaalsContact O-CD 3.3Å; G236-P238 WeakPolarHBondContact O-CD 3.31Å |
| 237 | A | 78.6 | Confident | 90.9 | Very high | 64 Ų | 64 | 74.5 Ų | 74.5 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | trans | -94 | 107.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 238 | P | 89 | Confident | 90.8 | Very high | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.032 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 153.7 | 175.1 | 25.8 | -28.1 | 0 | 0 | 0 | 110.8 | F195 V198 I202 M234 G236 E242 | F195-P238 HydrophobicContact CD1-CB 3.63Å; F195-P238 HydrophobicContact CD1-CG 3.45Å; F195-P238 VanDerWaalsContact CD1-CG 3.45Å; F195-P238 HydrophobicContact CD2-CB 3.78Å; F195-P238 HydrophobicContact CD2-CG 4.49Å; F195-P238 HydrophobicContact CE1-CB 3.63Å; F195-P238 HydrophobicContact CE1-CG 3.29Å; F195-P238 HydrophobicContact CE2-CB 3.74Å; F195-P238 HydrophobicContact CE2-CG 4.34Å; F195-P238 HydrophobicContact CG-CB 3.72Å; F195-P238 HydrophobicContact CG-CG 4.08Å; F195-P238 HydrophobicContact CZ-CB 3.65Å; F195-P238 HydrophobicContact CZ-CG 3.75Å; V198-P238 HydrophobicContact CG1-CG 4.37Å; V198-P238 HydrophobicContact CG2-CG 4.39Å; I202-P238 HydrophobicContact CD1-CG 3.79Å; M234-P238 HydrophobicContact CE-CB 3.69Å; M234-P238 HydrophobicContact CE-CG 3.91Å; M234-P238 HydrophobicContact SD-CB 4.04Å; M234-P238 HydrophobicContact SD-CG 3.81Å; G236-P238 VanDerWaalsContact O-CD 3.3Å; G236-P238 WeakPolarHBondContact O-CD 3.31Å; P238-E242 WeakPolarHBondContact CA-OE2 3.27Å |
| 239 | V | 89.3 | Confident | 90.8 | Very high | 86 Ų | 86 | 76.4 Ų | 76.4 | 52% | 0.521 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -103.7 | 155.1 | 172.7 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | G241 E242 | V239-G241 PolarHBondContact O-N 2.91Å; V239-E242 VanDerWaalsContact CG2-CD 3.46Å; V239-E242 HydrophobicContact CG2-CG 3.64Å; V239-E242 PolarHBondContact N-OE2 3.03Å; V239-E242 WeakPolarHBondContact O-CB 3.23Å; V239-E242 PolarHBondContact O-N 2.93Å; V239-E242 VanDerWaalsContact O-N 3.12Å |
| 240 | R | 91.7 | Very high | 90.8 | Very high | 193 Ų | 193 | 76.1 Ų | 76.1 | 73% | 0.728 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 131.5 | 176.7 | 176.1 | 174.1 | -177.3 | -160.6 | -1.9 | 111 | F195 L196 | F195-R240 WeakPolarHBondContact O-CA 3.42Å; L196-R240 WeakPolarHBondContact O-CD 3.45Å; L196-R240 WeakPolarHBondContact O-CG 3.38Å; L196-R240 PolarHBondContact O-NE 2.82Å; L196-R240 VanDerWaalsContact O-NE 3.14Å |
| 241 | G | 90.8 | Very high | 90.8 | Very high | 68 Ų | 68 | 73.3 Ų | 73.3 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | -10.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | F195 V239 | F195-G241 PolarHBondContact O-N 3.47Å; V239-G241 PolarHBondContact O-N 2.91Å |
| 242 | E | 93.6 | Very high | 90.7 | Very high | 89 Ų | 89 | 72.7 Ų | 72.7 | 42% | 0.416 | 42% | 0.417 | S | S | . | . | trans | -67.9 | 158.3 | 171.6 | -74.6 | -177.5 | 156.4 | 0 | 0 | 111.8 | F195 P238 V239 | F195-E242 HydrophobicContact CD2-CB 3.9Å; F195-E242 WeakPolarHBondContact CD2-O 3.45Å; F195-E242 PolarHBondContact N-O 3Å; F195-E242 VanDerWaalsContact N-O 3.1Å; P238-E242 WeakPolarHBondContact CA-OE2 3.27Å; V239-E242 VanDerWaalsContact CG2-CD 3.46Å; V239-E242 HydrophobicContact CG2-CG 3.64Å; V239-E242 PolarHBondContact N-OE2 3.03Å; V239-E242 WeakPolarHBondContact O-CB 3.23Å; V239-E242 PolarHBondContact O-N 2.93Å; V239-E242 VanDerWaalsContact O-N 3.12Å | ||
| 243 | S | 94.8 | Very high | 90.9 | Very high | 46 Ų | 46 | 69.8 Ų | 69.8 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 143.2 | 174.2 | 67.9 | 0 | 0 | 0 | 0 | 112 | K192 I193 | K192-S243 WeakPolarHBondContact CE-OG 3.29Å; K192-S243 PolarHBondContact NZ-OG 2.79Å; I193-S243 CarbonylContact O-C 3.45Å; I193-S243 WeakPolarHBondContact O-CA 3.43Å; I193-S243 VanDerWaalsContact O-CB 3.22Å; I193-S243 WeakPolarHBondContact O-CB 3.34Å |
| 244 | I | 95.3 | Very high | 91.1 | Very high | 43 Ų | 43 | 73.5 Ų | 73.5 | 22% | 0.221 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 119.8 | -176.9 | -61 | 171 | 0 | 0 | 0 | 109 | K192 I193 F195 M205 I233 M234 I246 | K192-I244 WeakPolarHBondContact CA-O 3.49Å; I193-I244 PolarHBondContact N-O 3.29Å; I193-I244 PolarHBondContact O-N 2.86Å; F195-I244 HydrophobicContact CE2-CD1 3.73Å; F195-I244 HydrophobicContact CE2-CG1 3.99Å; F195-I244 HydrophobicContact CZ-CD1 3.93Å; M205-I244 HydrophobicContact CE-CD1 4.39Å; I233-I244 HydrophobicContact CG2-CB 4.43Å; I233-I244 HydrophobicContact CG2-CD1 3.75Å; I233-I244 HydrophobicContact CG2-CG2 3.89Å; M234-I244 HydrophobicContact SD-CD1 4.13Å; I244-I246 HydrophobicContact CG2-CD1 4.1Å |
| 245 | P | 96.8 | Very high | 91.7 | Very high | 98 Ų | 98 | 72.6 Ų | 72.6 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 138.8 | 174.3 | 30.7 | -33.1 | 0 | 0 | 0 | 110.9 | ||
| 246 | I | 96.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.1 | -177.7 | -57.3 | -61.1 | 0 | 0 | 0 | 110 | F176 V190 G191 I193 I207 Y231 I233 I244 L248 | F176-I246 HydrophobicContact CE2-CB 4.31Å; F176-I246 HydrophobicContact CE2-CG1 4.22Å; F176-I246 HydrophobicContact CE2-CG2 4.49Å; V190-I246 WeakPolarHBondContact CA-O 3.08Å; G191-I246 PolarHBondContact N-O 2.92Å; G191-I246 PolarHBondContact O-N 2.91Å; I193-I246 HydrophobicContact CD1-CD1 4.03Å; I193-I246 HydrophobicContact CD1-CG1 4.1Å; I193-I246 HydrophobicContact CG1-CD1 4.45Å; I193-I246 HydrophobicContact CG1-CG1 4.03Å; I207-I246 HydrophobicContact CD1-CG1 4.27Å; I207-I246 HydrophobicContact CD1-CG2 4.23Å; Y231-I246 HydrophobicContact CD1-CD1 4.49Å; Y231-I246 HydrophobicContact CE1-CD1 3.96Å; I233-I246 HydrophobicContact CD1-CD1 4.33Å; I233-I246 HydrophobicContact CG1-CD1 4Å; I233-I246 HydrophobicContact CG2-CD1 4.25Å; I244-I246 HydrophobicContact CG2-CD1 4.1Å; I246-L248 HydrophobicContact CG2-CD1 4.29Å; I246-L248 HydrophobicContact CG2-CD2 4.01Å; I246-L248 HydrophobicContact CG2-CG 3.81Å |
| 247 | R | 96.4 | Very high | 94.1 | Very high | 172 Ų | 172 | 66.2 Ų | 66.2 | 65% | 0.649 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 104.6 | 171.9 | -71.4 | -176.4 | 178.6 | 165.5 | 0.3 | 110.2 | V188 I189 F249 | V188-R247 HydrophobicContact CG1-CB 4.31Å; I189-R247 WeakPolarHBondContact O-CA 3.38Å; R247-F249 HydrophobicContact CB-CE2 4.33Å |
| 248 | L | 95.9 | Very high | 95 | Very high | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 114.4 | 178.4 | -49 | 175.8 | 0 | 0 | 0 | 109.9 | V188 I189 I207 Y231 I246 | V188-L248 CarbonylContact C-O 3.51Å; V188-L248 WeakPolarHBondContact CA-O 3.36Å; I189-L248 HydrophobicContact CB-CB 4.13Å; I189-L248 PolarHBondContact N-O 2.9Å; I189-L248 PolarHBondContact O-N 3.47Å; I207-L248 HydrophobicContact CG2-CD1 3.94Å; Y231-L248 HydrophobicContact CD1-CD2 3.68Å; Y231-L248 HydrophobicContact CD2-CD2 3.24Å; Y231-L248 HydrophobicContact CE1-CD2 4.13Å; Y231-L248 HydrophobicContact CE2-CD2 3.74Å; Y231-L248 HydrophobicContact CG-CD2 3.2Å; I246-L248 HydrophobicContact CG2-CD1 4.29Å; I246-L248 HydrophobicContact CG2-CD2 4.01Å; I246-L248 HydrophobicContact CG2-CG 3.81Å |
| 249 | F | 97 | Very high | 95.5 | Very high | 131 Ų | 131 | 64.4 Ų | 64.4 | 58% | 0.575 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 112.7 | 179.8 | -67.4 | -94.3 | 0 | 0 | 0 | 110.5 | V188 R247 A251 Y253 | V188-F249 HydrophobicContact CG1-CD1 4.31Å; V188-F249 HydrophobicContact CG1-CE1 4.33Å; V188-F249 HydrophobicContact CG1-CG 4.47Å; V188-F249 HydrophobicContact CG2-CD1 3.44Å; V188-F249 VanDerWaalsContact CG2-CD1 3.44Å; V188-F249 HydrophobicContact CG2-CE1 3.68Å; V188-F249 HydrophobicContact CG2-CG 4.21Å; R247-F249 HydrophobicContact CB-CE2 4.33Å; F249-A251 VanDerWaalsContact C-N 3.32Å; F249-A251 PolarHBondContact O-N 2.83Å; F249-Y253 WeakPolarHBondContact O-CE2 3.19Å |
| 250 | L | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -73.1 | -25.3 | -175.8 | -61.9 | -177 | 0 | 0 | 0 | 113.5 | Y183 D187 I189 I209 G252 Y253 L255 L292 | Y183-L250 HydrophobicContact CG-CD1 4.25Å; D187-L250 HydrophobicContact CB-CD1 4.34Å; D187-L250 VanDerWaalsContact O-CB 3.29Å; D187-L250 WeakPolarHBondContact O-CB 3.4Å; D187-L250 WeakPolarHBondContact O-CG 3.29Å; D187-L250 PolarHBondContact O-N 2.88Å; I189-L250 HydrophobicContact CD1-CD2 3.93Å; I189-L250 HydrophobicContact CG1-CD1 4.31Å; I189-L250 HydrophobicContact CG1-CD2 4.15Å; I189-L250 HydrophobicContact CG1-CG 4.31Å; I209-L250 HydrophobicContact CD1-CD2 3.64Å; L250-G252 PolarHBondContact O-N 3.27Å; L250-G252 VanDerWaalsContact O-N 3.07Å; L250-Y253 PolarHBondContact O-N 3.46Å; L250-Y253 VanDerWaalsContact O-N 3.08Å; L250-L255 HydrophobicContact CB-CD1 3.77Å; L250-L255 HydrophobicContact CD2-CD1 4.03Å; L250-L255 HydrophobicContact CG-CD1 4.34Å; L250-L292 HydrophobicContact CD1-CD2 4.08Å |
| 251 | A | 95.4 | Very high | 96 | Very high | 69 Ų | 69 | 61 Ų | 61 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -61.9 | -18.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K186 F249 | K186-A251 HydrophobicContact CB-CB 4.09Å; K186-A251 HydrophobicContact CG-CB 4.19Å; F249-A251 VanDerWaalsContact C-N 3.32Å; F249-A251 PolarHBondContact O-N 2.83Å |
| 252 | G | 93.5 | Very high | 96.4 | Very high | 72 Ų | 72 | 58.6 Ų | 58.6 | 74% | 0.742 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -83.9 | -7.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L250 | L250-G252 PolarHBondContact O-N 3.27Å; L250-G252 VanDerWaalsContact O-N 3.07Å |
| 253 | Y | 95.7 | Very high | 96.5 | Very high | 78 Ų | 78 | 57.5 Ų | 57.5 | 31% | 0.306 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -110.3 | 150.9 | -174.4 | -58.7 | -65.2 | 0 | 0 | 0 | 112.4 | I209 I228 A229 F249 L250 L255 | I209-Y253 HydrophobicContact CD1-CD2 4.34Å; I209-Y253 HydrophobicContact CD1-CE2 4.34Å; I228-Y253 HydrophobicContact CG2-CD1 4.31Å; I228-Y253 HydrophobicContact CG2-CG 4.21Å; A229-Y253 HydrophobicContact CB-CD1 3.88Å; A229-Y253 HydrophobicContact CB-CD2 4.27Å; A229-Y253 HydrophobicContact CB-CE1 3.37Å; A229-Y253 HydrophobicContact CB-CE2 3.8Å; A229-Y253 HydrophobicContact CB-CG 4.31Å; F249-Y253 WeakPolarHBondContact O-CE2 3.19Å; L250-Y253 PolarHBondContact O-N 3.46Å; L250-Y253 VanDerWaalsContact O-N 3.08Å; Y253-L255 PolarHBondContact O-N 3.36Å |
| 254 | E | 93.9 | Very high | 96.5 | Very high | 106 Ų | 106 | 62.3 Ų | 62.3 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | trans | -77.3 | 85.8 | 174.2 | -67.5 | -176.8 | -175.8 | 0 | 0 | 110.4 | K28 K34 | K28-E254 IonicContact NZ-OE2 2.81Å; K34-E254 WeakPolarHBondContact CE-OE1 3.47Å; K34-E254 IonicContact NZ-OE1 2.71Å; K34-E254 PolarHBondContact NZ-OE1 2.63Å | ||
| 255 | L | 97.2 | Very high | 96.5 | Very high | 19 Ų | 19 | 62 Ų | 62 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | trans | -109.1 | 147.7 | -176.3 | -61.5 | 169.7 | 0 | 0 | 0 | 111.9 | L185 I228 L250 Y253 Y270 L292 | L185-L255 HydrophobicContact CD2-CB 4.02Å; I228-L255 HydrophobicContact CG2-CD2 3.85Å; L250-L255 HydrophobicContact CB-CD1 3.77Å; L250-L255 HydrophobicContact CD2-CD1 4.03Å; L250-L255 HydrophobicContact CG-CD1 4.34Å; Y253-L255 PolarHBondContact O-N 3.36Å; L255-Y270 HydrophobicContact CD2-CD1 4.1Å; L255-Y270 HydrophobicContact CD2-CE1 3.6Å; L255-L292 HydrophobicContact CB-CD1 4.13Å; L255-L292 HydrophobicContact CD1-CD1 4.06Å; L255-L292 HydrophobicContact CD2-CD1 3.81Å; L255-L292 HydrophobicContact CG-CD1 4.22Å | ||
| 256 | T | 98.1 | Very high | 96.6 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 18% | 0.184 | 29% | 0.292 | C | S | . | . | trans | -118.2 | 160.2 | 169.3 | 66.4 | 0 | 0 | 0 | 0 | 108.9 | Y119 L185 Y270 | Y119-T256 HydrophobicContact CD2-CG2 4.25Å; Y119-T256 HydrophobicContact CE2-CG2 4.36Å; L185-T256 WeakPolarHBondContact CD2-O 3.33Å; T256-Y270 PolarHBondContact N-OH 2.87Å; T256-Y270 WeakPolarHBondContact O-CE2 3.36Å; T256-Y270 PolarHBondContact O-OH 2.83Å; T256-Y270 PolarHBondContact OG1-OH 2.94Å | ||
| 257 | P | 98.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | trans | -57.6 | 155 | 170 | -25.5 | 37.9 | 0 | 0 | 0 | 111.2 | E117 L185 M259 L292 R294 | E117-P257 WeakPolarHBondContact OE1-CD 3.4Å; E117-P257 WeakPolarHBondContact OE1-CG 3.4Å; L185-P257 HydrophobicContact CD1-CG 4.26Å; P257-M259 PolarHBondContact O-N 3.47Å; P257-L292 CarbonylContact C-O 3.6Å; P257-L292 WeakPolarHBondContact CA-O 3.36Å; P257-R294 HydrophobicContact CG-CB 3.94Å | ||
| 258 | T | 98.6 | Very high | 96.8 | Very high | 22 Ų | 22 | 50 Ų | 50 | 14% | 0.135 | 26% | 0.264 | C | S | . | . | trans | -65.2 | 123.8 | 167.4 | -62.3 | 0 | 0 | 0 | 0 | 109.1 | R260 V268 R269 V291 L292 | T258-R260 HydrophobicContact CG2-CG 4.04Å; T258-V268 CarbonylContact C-O 3.59Å; T258-V268 WeakPolarHBondContact CA-O 3.21Å; T258-R269 HydrophobicContact CG2-CG 4.44Å; T258-V291 HydrophobicContact CG2-CG1 4.47Å; T258-L292 PolarHBondContact N-O 2.86Å; T258-L292 PolarHBondContact OG1-N 3.02Å | ||
| 259 | M | 98.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 4% | 0.044 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 115.6 | -179.7 | -61.9 | -174.4 | -172.8 | 0 | 0 | 107.7 | E117 Y119 P257 I262 F266 S267 V268 | E117-M259 HydrophobicContact CB-CE 3.98Å; E117-M259 HydrophobicContact CG-CE 3.97Å; Y119-M259 HydrophobicContact CD2-CE 4.01Å; Y119-M259 HydrophobicContact CD2-SD 4.15Å; Y119-M259 HydrophobicContact CG-CE 4.24Å; Y119-M259 HydrophobicContact CG-SD 4.02Å; P257-M259 PolarHBondContact O-N 3.47Å; M259-I262 HydrophobicContact CB-CD1 3.91Å; M259-I262 HydrophobicContact CB-CG1 3.66Å; M259-I262 HydrophobicContact CG-CG1 4.48Å; M259-F266 HydrophobicContact SD-CE2 3.94Å; M259-F266 HydrophobicContact SD-CZ 4.23Å; M259-S267 CarbonylContact O-C 3.57Å; M259-S267 WeakPolarHBondContact O-CA 3.4Å; M259-V268 HydrophobicContact CB-CB 4.06Å; M259-V268 HydrophobicContact CB-CG2 4.31Å; M259-V268 HydrophobicContact CG-CB 4.42Å; M259-V268 PolarHBondContact N-O 2.82Å; M259-V268 PolarHBondContact O-N 2.73Å; M259-V268 HydrophobicContact SD-CG2 4.36Å |
| 260 | R | 97.1 | Very high | 97 | Very high | 116 Ų | 116 | 47.5 Ų | 47.5 | 44% | 0.438 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.3 | -177.4 | -63.6 | -172.5 | -173.2 | -88.6 | 3.8 | 110.4 | T258 I262 E289 | T258-R260 HydrophobicContact CG2-CG 4.04Å; R260-I262 PolarHBondContact O-N 2.99Å; R260-E289 IonicContact CZ-OE1 3.72Å; R260-E289 IonicContact CZ-OE2 3.09Å; R260-E289 IonicContact NH1-OE1 3.77Å; R260-E289 PolarHBondContact NH1-OE1 2.72Å; R260-E289 IonicContact NH1-OE2 2.81Å; R260-E289 PolarHBondContact NH1-OE2 2.96Å; R260-E289 VanDerWaalsContact NH1-OE2 3.09Å; R260-E289 IonicContact NH2-OE1 3.58Å; R260-E289 PolarHBondContact NH2-OE1 3.47Å; R260-E289 IonicContact NH2-OE2 3.55Å; R260-E289 PolarHBondContact NH2-OE2 3.05Å |
| 261 | D | 96.1 | Very high | 97 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.8 | 46.4 | 173.8 | -59.3 | -30.6 | 0 | 0 | 0 | 113.7 | N263 K264 F266 S267 | D261-N263 PolarHBondContact O-N 2.63Å; D261-K264 HydrophobicContact CB-CD 3.98Å; D261-K264 PolarHBondContact O-N 2.89Å; D261-K264 IonicContact OD2-NZ 3.22Å; D261-F266 CarbonylContact C-O 3.59Å; D261-F266 WeakPolarHBondContact CA-O 3.41Å; D261-F266 PolarHBondContact N-O 3.43Å; D261-S267 PolarHBondContact N-OG 2.92Å; D261-S267 PolarHBondContact OD1-OG 3.03Å |
| 262 | I | 97.9 | Very high | 97.2 | Very high | 17 Ų | 17 | 45.2 Ų | 45.2 | 9% | 0.087 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 112.9 | -176.8 | -58.7 | -58.6 | 0 | 0 | 0 | 109.3 | I74 Y116 L126 M259 R260 K264 K265 F266 | I74-I262 HydrophobicContact CD1-CG2 4.13Å; Y116-I262 HydrophobicContact CD1-CD1 3.91Å; Y116-I262 HydrophobicContact CD1-CG2 3.77Å; Y116-I262 HydrophobicContact CD2-CG2 3.97Å; Y116-I262 HydrophobicContact CE1-CD1 4.37Å; Y116-I262 HydrophobicContact CE1-CG2 4.08Å; Y116-I262 HydrophobicContact CE2-CG2 4.28Å; Y116-I262 HydrophobicContact CG-CG2 3.71Å; L126-I262 HydrophobicContact CD1-CG2 3.58Å; M259-I262 HydrophobicContact CB-CD1 3.91Å; M259-I262 HydrophobicContact CB-CG1 3.66Å; M259-I262 HydrophobicContact CG-CG1 4.48Å; R260-I262 PolarHBondContact O-N 2.99Å; I262-K264 PolarHBondContact O-N 3.48Å; I262-K265 PolarHBondContact O-N 3.3Å; I262-F266 HydrophobicContact CB-CD1 3.93Å; I262-F266 HydrophobicContact CB-CE1 3.56Å; I262-F266 HydrophobicContact CB-CE2 4.39Å; I262-F266 HydrophobicContact CB-CZ 3.81Å; I262-F266 HydrophobicContact CG1-CE1 4.18Å; I262-F266 HydrophobicContact CG1-CE2 4.17Å; I262-F266 HydrophobicContact CG1-CZ 3.89Å; I262-F266 HydrophobicContact CG2-CD1 4.27Å; I262-F266 HydrophobicContact CG2-CE1 3.5Å; I262-F266 HydrophobicContact CG2-CZ 3.85Å; I262-F266 PolarHBondContact N-O 3.07Å |
| 263 | N | 95.9 | Very high | 97.3 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 35% | 0.348 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 31.1 | -171.2 | -157.8 | 24.5 | 0 | 0 | 0 | 114 | I74 Y116 D261 K265 | I74-N263 HydrophobicContact CD1-CB 3.76Å; Y116-N263 HydrophobicContact CE2-CB 4.13Å; D261-N263 PolarHBondContact O-N 2.63Å; N263-K265 WeakPolarHBondContact O-CG 3.45Å; N263-K265 PolarHBondContact O-N 3.2Å; N263-K265 VanDerWaalsContact O-N 3.14Å |
| 264 | K | 95.4 | Very high | 97.3 | Very high | 148 Ų | 148 | 38.7 Ų | 38.7 | 64% | 0.643 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 21.8 | -171.9 | -52.6 | -51.1 | -170.5 | -174.6 | 0 | 114.9 | T217 D261 I262 | T217-K264 WeakPolarHBondContact CG2-O 3.29Å; D261-K264 HydrophobicContact CB-CD 3.98Å; D261-K264 PolarHBondContact O-N 2.89Å; D261-K264 IonicContact OD2-NZ 3.22Å; I262-K264 PolarHBondContact O-N 3.48Å |
| 265 | K | 95.7 | Very high | 97.4 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 16% | 0.161 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -38 | -178.3 | -65.3 | -59 | -175.1 | 162.9 | 0 | 113.9 | I74 L76 H84 G216 T217 I262 N263 | I74-K265 HydrophobicContact CD1-CB 4.13Å; I74-K265 HydrophobicContact CD1-CG 4.11Å; I74-K265 HydrophobicContact CG2-CB 4.31Å; L76-K265 HydrophobicContact CD1-CD 4.18Å; H84-K265 PolarHBondContact CD2-NZ 2.85Å; H84-K265 PolarHBondContact CE1-NZ 2.92Å; H84-K265 PolarHBondContact NE2-NZ 2.9Å; G216-K265 PolarHBondContact N-O 2.89Å; T217-K265 HydrophobicContact CG2-CD 4.12Å; I262-K265 PolarHBondContact O-N 3.3Å; N263-K265 WeakPolarHBondContact O-CG 3.45Å; N263-K265 PolarHBondContact O-N 3.2Å; N263-K265 VanDerWaalsContact O-N 3.14Å |
| 266 | F | 98 | Very high | 97.1 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 2% | 0.022 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 164.8 | -179.4 | 75.7 | -80.8 | 0 | 0 | 0 | 113.1 | I74 Y119 V124 L126 T214 T215 M259 D261 I262 V268 | I74-F266 HydrophobicContact CD1-CD1 4.38Å; I74-F266 HydrophobicContact CD1-CE1 4.07Å; I74-F266 HydrophobicContact CG1-CE1 4.38Å; I74-F266 HydrophobicContact CG2-CD1 4.3Å; I74-F266 HydrophobicContact CG2-CE1 4.38Å; Y119-F266 HydrophobicContact CD1-CD2 4.39Å; Y119-F266 AromaticContact CD1-CE2 3.67Å; Y119-F266 HydrophobicContact CD1-CE2 3.67Å; Y119-F266 HydrophobicContact CD1-CZ 4.18Å; Y119-F266 HydrophobicContact CE1-CD2 4.5Å; Y119-F266 HydrophobicContact CE1-CE2 4.16Å; Y119-F266 HydrophobicContact CG-CE2 4.27Å; V124-F266 HydrophobicContact CB-CG 4.41Å; V124-F266 HydrophobicContact CG1-CB 4.06Å; V124-F266 HydrophobicContact CG1-CD1 4.33Å; V124-F266 HydrophobicContact CG1-CD2 3.76Å; V124-F266 HydrophobicContact CG1-CE2 4.27Å; V124-F266 HydrophobicContact CG1-CG 3.8Å; V124-F266 HydrophobicContact CG2-CB 4.35Å; V124-F266 HydrophobicContact CG2-CD1 3.69Å; V124-F266 HydrophobicContact CG2-CE1 4.07Å; V124-F266 HydrophobicContact CG2-CG 3.97Å; L126-F266 HydrophobicContact CB-CE1 4.3Å; L126-F266 HydrophobicContact CB-CZ 4.16Å; L126-F266 HydrophobicContact CD1-CE1 3.98Å; L126-F266 HydrophobicContact CD1-CZ 4Å; T214-F266 CarbonylContact O-C 3.59Å; T214-F266 WeakPolarHBondContact O-CA 3.39Å; T214-F266 VanDerWaalsContact O-CB 3.3Å; T214-F266 WeakPolarHBondContact O-CB 3.46Å; T215-F266 HydrophobicContact CG2-CB 4.35Å; M259-F266 HydrophobicContact SD-CE2 3.94Å; M259-F266 HydrophobicContact SD-CZ 4.23Å; D261-F266 CarbonylContact C-O 3.59Å; D261-F266 WeakPolarHBondContact CA-O 3.41Å; D261-F266 PolarHBondContact N-O 3.43Å; I262-F266 HydrophobicContact CB-CD1 3.93Å; I262-F266 HydrophobicContact CB-CE1 3.56Å; I262-F266 HydrophobicContact CB-CE2 4.39Å; I262-F266 HydrophobicContact CB-CZ 3.81Å; I262-F266 HydrophobicContact CG1-CE1 4.18Å; I262-F266 HydrophobicContact CG1-CE2 4.17Å; I262-F266 HydrophobicContact CG1-CZ 3.89Å; I262-F266 HydrophobicContact CG2-CD1 4.27Å; I262-F266 HydrophobicContact CG2-CE1 3.5Å; I262-F266 HydrophobicContact CG2-CZ 3.85Å; I262-F266 PolarHBondContact N-O 3.07Å; F266-V268 HydrophobicContact CD2-CG2 4.01Å; F266-V268 HydrophobicContact CE2-CG2 3.95Å |
| 267 | S | 98.4 | Very high | 96.9 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 146.6 | 171.7 | -75.1 | 0 | 0 | 0 | 0 | 110.6 | E213 T214 M259 D261 | E213-S267 CarbonylContact C-O 3.41Å; E213-S267 WeakPolarHBondContact CA-O 3.49Å; T214-S267 PolarHBondContact N-O 3.17Å; T214-S267 PolarHBondContact O-N 2.96Å; M259-S267 CarbonylContact O-C 3.57Å; M259-S267 WeakPolarHBondContact O-CA 3.4Å; D261-S267 PolarHBondContact N-OG 2.92Å; D261-S267 PolarHBondContact OD1-OG 3.03Å |
| 268 | V | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 112.3 | 170.4 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | Y119 K211 R212 T258 M259 F266 Y270 | Y119-V268 HydrophobicContact CD1-CG2 4.24Å; Y119-V268 HydrophobicContact CD2-CG2 4.3Å; Y119-V268 HydrophobicContact CE1-CG2 3.67Å; Y119-V268 HydrophobicContact CE2-CG1 4.28Å; Y119-V268 HydrophobicContact CE2-CG2 3.75Å; Y119-V268 VanDerWaalsContact CZ-CG2 3.42Å; K211-V268 HydrophobicContact CD-CG1 4.32Å; K211-V268 HydrophobicContact CG-CG1 3.98Å; R212-V268 WeakPolarHBondContact O-CA 3.34Å; T258-V268 CarbonylContact C-O 3.59Å; T258-V268 WeakPolarHBondContact CA-O 3.21Å; M259-V268 HydrophobicContact CB-CB 4.06Å; M259-V268 HydrophobicContact CB-CG2 4.31Å; M259-V268 HydrophobicContact CG-CB 4.42Å; M259-V268 PolarHBondContact N-O 2.82Å; M259-V268 PolarHBondContact O-N 2.73Å; M259-V268 HydrophobicContact SD-CG2 4.36Å; F266-V268 HydrophobicContact CD2-CG2 4.01Å; F266-V268 HydrophobicContact CE2-CG2 3.95Å; V268-Y270 HydrophobicContact CG1-CE2 3.96Å |
| 269 | R | 98.6 | Very high | 96.3 | Very high | 84 Ų | 84 | 36.9 Ų | 36.9 | 32% | 0.317 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 148.7 | -174.7 | -64 | 174.1 | 70 | -171.8 | 0.6 | 110.3 | K211 R212 T258 Y271 E289 | K211-R269 CarbonylContact C-O 3.56Å; K211-R269 WeakPolarHBondContact CA-O 3.39Å; R212-R269 PolarHBondContact N-O 3.07Å; R212-R269 PolarHBondContact O-N 3.08Å; T258-R269 HydrophobicContact CG2-CG 4.44Å; R269-Y271 HydrophobicContact CB-CE2 3.66Å; R269-Y271 PolarHBondContact NE-OH 2.86Å; R269-Y271 VanDerWaalsContact NE-OH 3.16Å; R269-Y271 PolarHBondContact NH1-OH 3.03Å; R269-Y271 PolarHBondContact NH2-OH 3.05Å; R269-E289 WeakPolarHBondContact CG-OE1 3.47Å; R269-E289 IonicContact CZ-OE1 2.8Å; R269-E289 IonicContact CZ-OE2 2.89Å; R269-E289 VanDerWaalsContact NE-CD 3.34Å; R269-E289 IonicContact NE-OE1 3.49Å; R269-E289 PolarHBondContact NE-OE1 2.71Å; R269-E289 IonicContact NE-OE2 3.35Å; R269-E289 IonicContact NH2-OE1 3.16Å; R269-E289 PolarHBondContact NH2-OE1 3.32Å; R269-E289 IonicContact NH2-OE2 3.68Å; R269-E289 PolarHBondContact NH2-OE2 2.78Å |
| 270 | Y | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139 | -177.9 | -68.5 | -92.2 | 0 | 0 | 0 | 110.5 | I209 I210 K211 I228 L255 T256 V268 E289 V290 L292 | I209-Y270 HydrophobicContact CG2-CD1 4.32Å; I210-Y270 CarbonylContact O-C 3.51Å; I210-Y270 WeakPolarHBondContact O-CA 2.9Å; K211-Y270 HydrophobicContact CB-CD1 4.05Å; K211-Y270 HydrophobicContact CB-CE1 3.74Å; K211-Y270 HydrophobicContact CD-CE1 4.3Å; K211-Y270 HydrophobicContact CG-CE1 3.92Å; I228-Y270 HydrophobicContact CG1-CE1 4.47Å; L255-Y270 HydrophobicContact CD2-CD1 4.1Å; L255-Y270 HydrophobicContact CD2-CE1 3.6Å; T256-Y270 PolarHBondContact N-OH 2.87Å; T256-Y270 WeakPolarHBondContact O-CE2 3.36Å; T256-Y270 PolarHBondContact O-OH 2.83Å; T256-Y270 PolarHBondContact OG1-OH 2.94Å; V268-Y270 HydrophobicContact CG1-CE2 3.96Å; Y270-E289 WeakPolarHBondContact O-CA 3.39Å; Y270-E289 WeakPolarHBondContact O-CG 3.34Å; Y270-V290 PolarHBondContact O-N 2.9Å; Y270-L292 HydrophobicContact CD1-CD1 3.59Å; Y270-L292 HydrophobicContact CD1-CG 4.43Å; Y270-L292 HydrophobicContact CD2-CB 4.15Å; Y270-L292 HydrophobicContact CD2-CD1 3.65Å; Y270-L292 HydrophobicContact CD2-CG 3.85Å; Y270-L292 HydrophobicContact CE1-CD1 3.85Å; Y270-L292 HydrophobicContact CE2-CB 4.47Å; Y270-L292 HydrophobicContact CE2-CD1 3.92Å; Y270-L292 HydrophobicContact CE2-CG 4.44Å; Y270-L292 HydrophobicContact CG-CD1 3.47Å; Y270-L292 VanDerWaalsContact CG-CD1 3.47Å; Y270-L292 HydrophobicContact CG-CG 3.84Å |
| 271 | Y | 98.3 | Very high | 95.9 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 9% | 0.09 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.1 | -177.2 | -59.9 | -96.5 | 0 | 0 | 0 | 109.8 | I209 I210 R212 R269 Q288 E289 | I209-Y271 WeakPolarHBondContact CA-O 3.41Å; I210-Y271 PolarHBondContact N-O 2.83Å; I210-Y271 PolarHBondContact O-N 2.84Å; R212-Y271 HydrophobicContact CB-CD2 4.33Å; R212-Y271 HydrophobicContact CB-CE2 3.86Å; R269-Y271 HydrophobicContact CB-CE2 3.66Å; R269-Y271 PolarHBondContact NE-OH 2.86Å; R269-Y271 VanDerWaalsContact NE-OH 3.16Å; R269-Y271 PolarHBondContact NH1-OH 3.03Å; R269-Y271 PolarHBondContact NH2-OH 3.05Å; Y271-Q288 WeakPolarHBondContact CA-O 3.22Å; Y271-E289 HydrophobicContact CD1-CB 3.94Å; Y271-E289 HydrophobicContact CE1-CB 3.77Å; Y271-E289 HydrophobicContact CE1-CG 4.26Å |
| 272 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 125.2 | 157.9 | -66.2 | 176.5 | 0 | 0 | 0 | 107.4 | F176 Y178 I189 I207 D208 I209 Q287 Q288 V290 | F176-L272 HydrophobicContact CE1-CD1 4.08Å; Y178-L272 HydrophobicContact CD1-CD1 4.34Å; Y178-L272 HydrophobicContact CD2-CD1 4.17Å; Y178-L272 HydrophobicContact CE1-CD1 4.32Å; Y178-L272 HydrophobicContact CE2-CD1 4.13Å; Y178-L272 HydrophobicContact CG-CD1 4.26Å; I189-L272 HydrophobicContact CD1-CD1 4.15Å; I189-L272 HydrophobicContact CD1-CD2 3.72Å; I189-L272 HydrophobicContact CD1-CG 4.37Å; I189-L272 HydrophobicContact CG2-CD1 4.18Å; I207-L272 HydrophobicContact CG2-CD2 4.2Å; D208-L272 WeakPolarHBondContact O-CA 3.41Å; I209-L272 HydrophobicContact CG1-CD2 4.04Å; L272-Q287 CarbonylContact O-C 3.57Å; L272-Q287 VanDerWaalsContact O-CA 3.23Å; L272-Q287 WeakPolarHBondContact O-CA 3.47Å; L272-Q288 PolarHBondContact N-O 3.49Å; L272-Q288 PolarHBondContact O-N 2.8Å; L272-V290 HydrophobicContact CD1-CG1 3.7Å; L272-V290 HydrophobicContact CG-CG1 3.79Å; L272-V290 HydrophobicContact CG-CG2 4.25Å |
| 273 | N | 97.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 106.6 | -179.9 | 178.3 | 59.5 | 0 | 0 | 0 | 108.7 | I207 D208 I210 V275 K286 Q287 | I207-N273 WeakPolarHBondContact CA-O 3.17Å; D208-N273 HydrophobicContact CB-CB 4.19Å; D208-N273 PolarHBondContact N-O 3.06Å; D208-N273 PolarHBondContact O-N 2.87Å; D208-N273 PolarHBondContact OD2-ND2 3.01Å; I210-N273 HydrophobicContact CD1-CB 3.53Å; I210-N273 HydrophobicContact CG1-CB 4.06Å; N273-V275 WeakPolarHBondContact ND2-CG2 3.41Å; N273-K286 WeakPolarHBondContact CA-O 2.91Å; N273-Q287 HydrophobicContact CB-CB 4.32Å |
| 274 | L | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 123.1 | 173.6 | 174.3 | 62.8 | 0 | 0 | 0 | 108.1 | M164 V166 F176 M205 I207 L276 F285 K286 | M164-L274 HydrophobicContact CE-CB 3.6Å; V166-L274 HydrophobicContact CG2-CD2 3.82Å; V166-L274 HydrophobicContact CG2-CG 4.35Å; F176-L274 HydrophobicContact CB-CD2 4.07Å; M205-L274 HydrophobicContact CG-CD1 4.1Å; M205-L274 HydrophobicContact SD-CD1 4.23Å; I207-L274 HydrophobicContact CG1-CD1 3.91Å; L274-L276 HydrophobicContact CD2-CD1 4.4Å; L274-L276 HydrophobicContact CG-CD1 4.08Å; L274-F285 WeakPolarHBondContact O-CA 3.5Å; L274-K286 PolarHBondContact N-O 3.35Å; L274-K286 PolarHBondContact O-N 2.89Å |
| 275 | V | 94.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.1 | -178.2 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | M205 E206 N273 I277 F285 | M205-V275 WeakPolarHBondContact CA-O 3.41Å; E206-V275 HydrophobicContact CG-CB 3.73Å; E206-V275 HydrophobicContact CG-CG1 4.31Å; E206-V275 HydrophobicContact CG-CG2 4.32Å; E206-V275 PolarHBondContact N-O 2.94Å; E206-V275 PolarHBondContact O-N 3.06Å; N273-V275 WeakPolarHBondContact ND2-CG2 3.41Å; V275-I277 HydrophobicContact CG1-CG1 4.43Å; V275-F285 HydrophobicContact CG2-CB 4.44Å |
| 276 | L | 92.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.9 | 173.3 | -53.5 | 104.2 | 0 | 0 | 0 | 109.9 | V166 I174 I202 H204 M205 L274 R283 Y284 | V166-L276 HydrophobicContact CB-CD1 4Å; V166-L276 HydrophobicContact CG1-CD1 3.9Å; V166-L276 HydrophobicContact CG2-CD1 3.8Å; I174-L276 HydrophobicContact CD1-CD2 3.31Å; I202-L276 HydrophobicContact CD1-CD2 4.1Å; H204-L276 WeakPolarHBondContact O-CA 3.23Å; M205-L276 HydrophobicContact CG-CD2 4.12Å; M205-L276 HydrophobicContact CG-CG 4.13Å; M205-L276 HydrophobicContact SD-CD2 3.84Å; M205-L276 HydrophobicContact SD-CG 4.41Å; L274-L276 HydrophobicContact CD2-CD1 4.4Å; L274-L276 HydrophobicContact CG-CD1 4.08Å; L276-R283 WeakPolarHBondContact O-CA 3.48Å; L276-Y284 HydrophobicContact CB-CD2 4.45Å; L276-Y284 PolarHBondContact N-O 2.81Å; L276-Y284 PolarHBondContact O-N 3.02Å |
| 277 | I | 93.1 | Very high | 95.1 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.7 | 175 | -46.7 | -178.3 | 0 | 0 | 0 | 107.6 | K203 H204 V275 R282 R283 | K203-I277 WeakPolarHBondContact CA-O 3.48Å; K203-I277 WeakPolarHBondContact CB-O 3.48Å; K203-I277 PolarHBondContact N-O 2.89Å; H204-I277 HydrophobicContact CB-CB 4.13Å; H204-I277 HydrophobicContact CB-CD1 4.38Å; H204-I277 HydrophobicContact CB-CG1 4.37Å; H204-I277 PolarHBondContact N-O 2.79Å; H204-I277 PolarHBondContact O-N 2.78Å; V275-I277 HydrophobicContact CG1-CG1 4.43Å; I277-R282 WeakPolarHBondContact CA-O 3.38Å; I277-R283 HydrophobicContact CG1-CG 4.3Å |
| 278 | D | 92.1 | Very high | 95 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 175.4 | 175.6 | 67.6 | 20.3 | 0 | 0 | 0 | 112.9 | I200 K201 E280 E281 R282 Y284 | I200-D278 HydrophobicContact CG2-CB 3.56Å; K201-D278 WeakPolarHBondContact O-CA 3.48Å; K201-D278 VanDerWaalsContact O-CB 3.3Å; K201-D278 WeakPolarHBondContact O-CB 3.49Å; D278-E280 PolarHBondContact O-N 2.81Å; D278-E280 VanDerWaalsContact O-N 3.16Å; D278-E280 WeakPolarHBondContact OD1-CA 3.37Å; D278-E280 WeakPolarHBondContact OD1-CB 3.47Å; D278-E280 PolarHBondContact OD1-N 2.93Å; D278-E281 PolarHBondContact O-N 2.95Å; D278-E281 PolarHBondContact OD1-N 3.02Å; D278-R282 PolarHBondContact N-O 2.75Å; D278-R282 VanDerWaalsContact N-O 3.16Å; D278-R282 WeakPolarHBondContact OD1-CB 3.37Å; D278-R282 PolarHBondContact OD1-N 2.9Å; D278-R282 IonicContact OD1-NE 2.71Å; D278-R282 IonicContact OD2-CZ 3.96Å; D278-R282 IonicContact OD2-NE 3.86Å; D278-R282 PolarHBondContact OD2-NE 2.79Å; D278-R282 IonicContact OD2-NH2 3.26Å; D278-R282 PolarHBondContact OD2-NH2 2.98Å; D278-Y284 HydrophobicContact CB-CE2 4.35Å; D278-Y284 WeakPolarHBondContact OD2-CE2 3.42Å; D278-Y284 PolarHBondContact OD2-OH 2.86Å |
| 279 | E | 91.9 | Very high | 95 | Very high | 116 Ų | 116 | 60.3 Ų | 60.3 | 54% | 0.542 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -17.7 | 178.2 | -72.4 | -173 | 172.8 | 0 | 0 | 113.9 | K201 E281 | K201-E279 HydrophobicContact CB-CG 3.85Å; K201-E279 HydrophobicContact CD-CG 4.48Å; K201-E279 WeakPolarHBondContact CD-OE1 3.42Å; K201-E279 WeakPolarHBondContact CD-OE2 3.3Å; K201-E279 IonicContact NZ-OE1 3.54Å; K201-E279 IonicContact NZ-OE2 3.53Å; K201-E279 PolarHBondContact O-N 3.47Å; K201-E279 VanDerWaalsContact O-N 3.14Å; E279-E281 VanDerWaalsContact C-N 3.32Å |
| 280 | E | 93.5 | Very high | 94.9 | Very high | 132 Ų | 132 | 56.4 Ų | 56.4 | 62% | 0.617 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 11 | 176.5 | -65.9 | 170.9 | -130.9 | 0 | 0 | 112.2 | D278 R282 | D278-E280 PolarHBondContact O-N 2.81Å; D278-E280 VanDerWaalsContact O-N 3.16Å; D278-E280 WeakPolarHBondContact OD1-CA 3.37Å; D278-E280 WeakPolarHBondContact OD1-CB 3.47Å; D278-E280 PolarHBondContact OD1-N 2.93Å; E280-R282 HydrophobicContact CB-CG 4.23Å; E280-R282 PolarHBondContact O-N 3.05Å; E280-R282 IonicContact OE1-CZ 3.09Å; E280-R282 IonicContact OE1-NH1 2.67Å; E280-R282 PolarHBondContact OE1-NH1 2.83Å; E280-R282 IonicContact OE1-NH2 3Å; E280-R282 PolarHBondContact OE1-NH2 2.87Å; E280-R282 IonicContact OE2-CZ 2.89Å; E280-R282 IonicContact OE2-NE 3.45Å; E280-R282 IonicContact OE2-NH1 3.03Å; E280-R282 PolarHBondContact OE2-NH1 2.9Å; E280-R282 IonicContact OE2-NH2 3.9Å; E280-R282 PolarHBondContact OE2-NH2 3.45Å |
| 281 | E | 93.3 | Very high | 94.8 | Very high | 114 Ų | 114 | 57.3 Ų | 57.3 | 53% | 0.533 | 25% | 0.253 | S | S | . | . | trans | 61.2 | 19.1 | -176 | -57.6 | -65 | 147.7 | 0 | 0 | 114.1 | K203 D278 E279 | K203-E281 IonicContact NZ-OE1 3.92Å; K203-E281 PolarHBondContact NZ-OE1 2.98Å; D278-E281 PolarHBondContact O-N 2.95Å; D278-E281 PolarHBondContact OD1-N 3.02Å; E279-E281 VanDerWaalsContact C-N 3.32Å | ||
| 282 | R | 92.8 | Very high | 94.8 | Very high | 94 Ų | 94 | 56.4 Ų | 56.4 | 36% | 0.355 | 25% | 0.25 | S | C | . | . | trans | -77.2 | 134.9 | 173.2 | -57.9 | 179.3 | -65.1 | -142.4 | -11.4 | 109.2 | I277 D278 E280 Y284 | I277-R282 WeakPolarHBondContact CA-O 3.38Å; D278-R282 PolarHBondContact N-O 2.75Å; D278-R282 VanDerWaalsContact N-O 3.16Å; D278-R282 WeakPolarHBondContact OD1-CB 3.37Å; D278-R282 PolarHBondContact OD1-N 2.9Å; D278-R282 IonicContact OD1-NE 2.71Å; D278-R282 IonicContact OD2-CZ 3.96Å; D278-R282 IonicContact OD2-NE 3.86Å; D278-R282 PolarHBondContact OD2-NE 2.79Å; D278-R282 IonicContact OD2-NH2 3.26Å; D278-R282 PolarHBondContact OD2-NH2 2.98Å; E280-R282 HydrophobicContact CB-CG 4.23Å; E280-R282 PolarHBondContact O-N 3.05Å; E280-R282 IonicContact OE1-CZ 3.09Å; E280-R282 IonicContact OE1-NH1 2.67Å; E280-R282 PolarHBondContact OE1-NH1 2.83Å; E280-R282 IonicContact OE1-NH2 3Å; E280-R282 PolarHBondContact OE1-NH2 2.87Å; E280-R282 IonicContact OE2-CZ 2.89Å; E280-R282 IonicContact OE2-NE 3.45Å; E280-R282 IonicContact OE2-NH1 3.03Å; E280-R282 PolarHBondContact OE2-NH1 2.9Å; E280-R282 IonicContact OE2-NH2 3.9Å; E280-R282 PolarHBondContact OE2-NH2 3.45Å; R282-Y284 HydrophobicContact CB-CE2 4.09Å; R282-Y284 PolarHBondContact NE-OH 2.83Å | ||
| 283 | R | 93.3 | Very high | 94.7 | Very high | 169 Ų | 169 | 57.5 Ų | 57.5 | 64% | 0.638 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.5 | -177.2 | -60.5 | -178.2 | 69.2 | -168.4 | 2.9 | 110.8 | L276 I277 | L276-R283 WeakPolarHBondContact O-CA 3.48Å; I277-R283 HydrophobicContact CG1-CG 4.3Å |
| 284 | Y | 92.1 | Very high | 94.7 | Very high | 44 Ų | 44 | 59.3 Ų | 59.3 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134 | 172.3 | -47.6 | -83.7 | 0 | 0 | 0 | 108.3 | I168 L276 D278 R282 | I168-Y284 HydrophobicContact CD1-CD1 3.63Å; I168-Y284 HydrophobicContact CD1-CE1 3.18Å; I168-Y284 HydrophobicContact CD1-CE2 4.38Å; I168-Y284 HydrophobicContact CD1-CG 4.38Å; I168-Y284 HydrophobicContact CG1-CD1 4.35Å; I168-Y284 HydrophobicContact CG1-CE1 4.23Å; L276-Y284 HydrophobicContact CB-CD2 4.45Å; L276-Y284 PolarHBondContact N-O 2.81Å; L276-Y284 PolarHBondContact O-N 3.02Å; D278-Y284 HydrophobicContact CB-CE2 4.35Å; D278-Y284 WeakPolarHBondContact OD2-CE2 3.42Å; D278-Y284 PolarHBondContact OD2-OH 2.86Å; R282-Y284 HydrophobicContact CB-CE2 4.09Å; R282-Y284 PolarHBondContact NE-OH 2.83Å |
| 285 | F | 93.3 | Very high | 94.6 | Very high | 141 Ų | 141 | 63.4 Ų | 63.4 | 62% | 0.618 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 147.2 | 179.1 | 62.3 | -84.1 | 0 | 0 | 0 | 111.6 | L274 V275 | L274-F285 WeakPolarHBondContact O-CA 3.5Å; V275-F285 HydrophobicContact CG2-CB 4.44Å |
| 286 | K | 95.3 | Very high | 94.3 | Very high | 109 Ų | 109 | 64.3 Ų | 64.3 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 133.9 | 171.1 | -171.6 | 75 | 167.6 | -167.8 | 0 | 108.1 | M164 V166 N273 L274 | M164-K286 HydrophobicContact CG-CB 4.01Å; M164-K286 HydrophobicContact CG-CG 3.41Å; M164-K286 VanDerWaalsContact CG-CG 3.41Å; M164-K286 VanDerWaalsContact SD-C 3.58Å; M164-K286 HydrophobicContact SD-CB 4Å; M164-K286 HydrophobicContact SD-CG 3.7Å; V166-K286 HydrophobicContact CG2-CB 3.65Å; N273-K286 WeakPolarHBondContact CA-O 2.91Å; L274-K286 PolarHBondContact N-O 3.35Å; L274-K286 PolarHBondContact O-N 2.89Å |
| 287 | Q | 96.3 | Very high | 93.5 | Very high | 81 Ų | 81 | 69.4 Ų | 69.4 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 143 | 179.5 | 63 | -179.4 | -5.8 | 0 | 0 | 110.8 | L272 N273 | L272-Q287 CarbonylContact O-C 3.57Å; L272-Q287 VanDerWaalsContact O-CA 3.23Å; L272-Q287 WeakPolarHBondContact O-CA 3.47Å; N273-Q287 HydrophobicContact CB-CB 4.32Å |
| 288 | Q | 96.6 | Very high | 91.6 | Very high | 66 Ų | 66 | 74.5 Ų | 74.5 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 136.4 | 173 | -165.8 | 161.6 | 10.5 | 0 | 0 | 110.1 | I162 M164 Y178 Y271 L272 | I162-Q288 VanDerWaalsContact CG2-NE2 3.25Å; M164-Q288 HydrophobicContact SD-CB 3.77Å; Y178-Q288 VanDerWaalsContact OH-CD 3.23Å; Y178-Q288 VanDerWaalsContact OH-CG 3.31Å; Y178-Q288 WeakPolarHBondContact OH-CG 3.05Å; Y178-Q288 PolarHBondContact OH-OE1 2.81Å; Y271-Q288 WeakPolarHBondContact CA-O 3.22Å; L272-Q288 PolarHBondContact N-O 3.49Å; L272-Q288 PolarHBondContact O-N 2.8Å |
| 289 | E | 97.1 | Very high | 89.4 | Confident | 43 Ų | 43 | 78.7 Ų | 78.7 | 20% | 0.201 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 137.8 | -179.2 | -173.9 | 177.9 | -155.1 | 0 | 0 | 110.9 | R260 R269 Y270 Y271 | R260-E289 IonicContact CZ-OE1 3.72Å; R260-E289 IonicContact CZ-OE2 3.09Å; R260-E289 IonicContact NH1-OE1 3.77Å; R260-E289 PolarHBondContact NH1-OE1 2.72Å; R260-E289 IonicContact NH1-OE2 2.81Å; R260-E289 PolarHBondContact NH1-OE2 2.96Å; R260-E289 VanDerWaalsContact NH1-OE2 3.09Å; R260-E289 IonicContact NH2-OE1 3.58Å; R260-E289 PolarHBondContact NH2-OE1 3.47Å; R260-E289 IonicContact NH2-OE2 3.55Å; R260-E289 PolarHBondContact NH2-OE2 3.05Å; R269-E289 WeakPolarHBondContact CG-OE1 3.47Å; R269-E289 IonicContact CZ-OE1 2.8Å; R269-E289 IonicContact CZ-OE2 2.89Å; R269-E289 VanDerWaalsContact NE-CD 3.34Å; R269-E289 IonicContact NE-OE1 3.49Å; R269-E289 PolarHBondContact NE-OE1 2.71Å; R269-E289 IonicContact NE-OE2 3.35Å; R269-E289 IonicContact NH2-OE1 3.16Å; R269-E289 PolarHBondContact NH2-OE1 3.32Å; R269-E289 IonicContact NH2-OE2 3.68Å; R269-E289 PolarHBondContact NH2-OE2 2.78Å; Y270-E289 WeakPolarHBondContact O-CA 3.39Å; Y270-E289 WeakPolarHBondContact O-CG 3.34Å; Y271-E289 HydrophobicContact CD1-CB 3.94Å; Y271-E289 HydrophobicContact CE1-CB 3.77Å; Y271-E289 HydrophobicContact CE1-CG 4.26Å |
| 290 | V | 96.6 | Very high | 86.8 | Confident | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.012 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.2 | 166.5 | -68.7 | 0 | 0 | 0 | 0 | 109.7 | Y178 S181 Y183 Y270 L272 L292 | Y178-V290 HydrophobicContact CE2-CG1 4.03Å; S181-V290 WeakPolarHBondContact O-CA 3.3Å; Y183-V290 HydrophobicContact CD2-CB 4.37Å; Y183-V290 HydrophobicContact CD2-CG1 4.44Å; Y183-V290 HydrophobicContact CE2-CG1 4.24Å; Y270-V290 PolarHBondContact O-N 2.9Å; L272-V290 HydrophobicContact CD1-CG1 3.7Å; L272-V290 HydrophobicContact CG-CG1 3.79Å; L272-V290 HydrophobicContact CG-CG2 4.25Å; V290-L292 HydrophobicContact CG2-CD2 4.45Å; V290-L292 PolarHBondContact O-N 3.22Å |
| 291 | V | 96.9 | Very high | 84.1 | Confident | 21 Ų | 21 | 86.9 Ų | 86.9 | 13% | 0.127 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 113.1 | 178.8 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | S181 K182 Y183 T258 | S181-V291 PolarHBondContact O-N 3.29Å; K182-V291 CarbonylContact C-O 3.51Å; K182-V291 WeakPolarHBondContact CA-O 3.49Å; K182-V291 HydrophobicContact CB-CB 4.22Å; K182-V291 HydrophobicContact CD-CB 4.26Å; K182-V291 HydrophobicContact CG-CB 3.93Å; K182-V291 HydrophobicContact CG-CG2 4.37Å; Y183-V291 PolarHBondContact N-O 2.98Å; T258-V291 HydrophobicContact CG2-CG1 4.47Å |
| 292 | L | 97.8 | Very high | 81.4 | Confident | 3 Ų | 3 | 86.3 Ų | 86.3 | 2% | 0.016 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 138.6 | 171.6 | -58.6 | -168.4 | 0 | 0 | 0 | 110.7 | Y183 L185 L250 L255 P257 T258 Y270 V290 | Y183-L292 CarbonylContact O-C 3.56Å; Y183-L292 VanDerWaalsContact O-CA 3.29Å; Y183-L292 WeakPolarHBondContact O-CA 3.3Å; L185-L292 HydrophobicContact CD2-CB 4Å; L185-L292 HydrophobicContact CD2-CD1 4.5Å; L250-L292 HydrophobicContact CD1-CD2 4.08Å; L255-L292 HydrophobicContact CB-CD1 4.13Å; L255-L292 HydrophobicContact CD1-CD1 4.06Å; L255-L292 HydrophobicContact CD2-CD1 3.81Å; L255-L292 HydrophobicContact CG-CD1 4.22Å; P257-L292 CarbonylContact C-O 3.6Å; P257-L292 WeakPolarHBondContact CA-O 3.36Å; T258-L292 PolarHBondContact N-O 2.86Å; T258-L292 PolarHBondContact OG1-N 3.02Å; Y270-L292 HydrophobicContact CD1-CD1 3.59Å; Y270-L292 HydrophobicContact CD1-CG 4.43Å; Y270-L292 HydrophobicContact CD2-CB 4.15Å; Y270-L292 HydrophobicContact CD2-CD1 3.65Å; Y270-L292 HydrophobicContact CD2-CG 3.85Å; Y270-L292 HydrophobicContact CE1-CD1 3.85Å; Y270-L292 HydrophobicContact CE2-CB 4.47Å; Y270-L292 HydrophobicContact CE2-CD1 3.92Å; Y270-L292 HydrophobicContact CE2-CG 4.44Å; Y270-L292 HydrophobicContact CG-CD1 3.47Å; Y270-L292 VanDerWaalsContact CG-CD1 3.47Å; Y270-L292 HydrophobicContact CG-CG 3.84Å; V290-L292 HydrophobicContact CG2-CD2 4.45Å; V290-L292 PolarHBondContact O-N 3.22Å |
| 293 | W | 97.1 | Very high | 79 | Confident | 24 Ų | 24 | 90.7 Ų | 90.7 | 9% | 0.091 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155.2 | 179.6 | 60.8 | -83.1 | 0 | 0 | 0 | 112.5 | S153 Y155 Y183 H184 L185 K295 | S153-W293 WeakPolarHBondContact O-CZ3 3.09Å; Y155-W293 HydrophobicContact CD2-CB 4.13Å; Y155-W293 AromaticContact CD2-CD1 3.73Å; Y155-W293 AromaticContact CD2-CD2 3.69Å; Y155-W293 HydrophobicContact CD2-CD2 3.69Å; Y155-W293 AromaticContact CD2-CE2 3.91Å; Y155-W293 HydrophobicContact CD2-CE3 4.27Å; Y155-W293 AromaticContact CD2-CG 3.6Å; Y155-W293 HydrophobicContact CD2-CG 3.6Å; Y155-W293 AromaticContact CD2-NE1 3.9Å; Y155-W293 HydrophobicContact CE2-CB 3.82Å; Y155-W293 HydrophobicContact CE2-CD2 4.31Å; Y155-W293 AromaticContact CE2-CG 3.81Å; Y155-W293 HydrophobicContact CE2-CG 3.81Å; Y183-W293 VanDerWaalsContact C-NE1 3.25Å; Y183-W293 PolarHBondContact O-N 3.16Å; Y183-W293 PolarHBondContact O-NE1 3.16Å; H184-W293 CarbonylContact C-O 3.54Å; H184-W293 WeakPolarHBondContact CA-O 3.36Å; H184-W293 HydrophobicContact CB-CD2 3.98Å; H184-W293 HydrophobicContact CB-CE3 4.25Å; H184-W293 HydrophobicContact CB-CH2 4.14Å; H184-W293 HydrophobicContact CB-CZ2 3.85Å; H184-W293 HydrophobicContact CB-CZ3 4.33Å; L185-W293 WeakPolarHBondContact CG-O 3.4Å; L185-W293 PolarHBondContact N-O 3.04Å; W293-K295 HydrophobicContact CE3-CB 4.15Å; W293-K295 HydrophobicContact CH2-CB 3.98Å; W293-K295 HydrophobicContact CH2-CD 4.15Å; W293-K295 HydrophobicContact CH2-CG 3.98Å; W293-K295 VanDerWaalsContact CZ3-CA 3.48Å; W293-K295 HydrophobicContact CZ3-CB 3.51Å; W293-K295 HydrophobicContact CZ3-CD 4.46Å; W293-K295 HydrophobicContact CZ3-CG 3.8Å |
| 294 | R | 96.4 | Very high | 76.9 | Confident | 51 Ų | 51 | 86.8 Ų | 86.8 | 19% | 0.192 | 43% | 0.425 | C | S | . | . | trans | -93.7 | 114.5 | 178.2 | -170.3 | 176 | -67.6 | -77.9 | 1.1 | 110 | E117 H150 T151 L152 S153 L185 P257 | E117-R294 IonicContact OE1-CZ 3.83Å; E117-R294 VanDerWaalsContact OE1-CZ 3.26Å; E117-R294 IonicContact OE1-NE 3.05Å; E117-R294 PolarHBondContact OE1-NE 2.97Å; E117-R294 IonicContact OE1-NH2 3.44Å; E117-R294 PolarHBondContact OE1-NH2 3.14Å; E117-R294 IonicContact OE2-CZ 3.71Å; E117-R294 IonicContact OE2-NE 2.83Å; E117-R294 PolarHBondContact OE2-NE 2.96Å; H150-R294 PolarHBondContact CE1-NH1 3.19Å; T151-R294 WeakPolarHBondContact O-CB 3.39Å; L152-R294 HydrophobicContact CD2-CG 3.9Å; S153-R294 PolarHBondContact N-O 2.89Å; L185-R294 HydrophobicContact CD1-CB 4.23Å; L185-R294 HydrophobicContact CD1-CG 4.33Å; P257-R294 HydrophobicContact CG-CB 3.94Å | ||
| 295 | K | 94.4 | Very high | 74.5 | Confident | 85 Ų | 85 | 92.1 Ų | 92.1 | 37% | 0.37 | 45% | 0.452 | S | S | . | . | B | Isolated β-bridge | trans | -75.2 | 131.7 | 172.2 | -170.8 | 172.7 | -176.7 | 170.9 | 0 | 109.2 | H184 W293 | H184-K295 HydrophobicContact CB-CB 3.9Å; W293-K295 HydrophobicContact CE3-CB 4.15Å; W293-K295 HydrophobicContact CH2-CB 3.98Å; W293-K295 HydrophobicContact CH2-CD 4.15Å; W293-K295 HydrophobicContact CH2-CG 3.98Å; W293-K295 VanDerWaalsContact CZ3-CA 3.48Å; W293-K295 HydrophobicContact CZ3-CB 3.51Å; W293-K295 HydrophobicContact CZ3-CD 4.46Å; W293-K295 HydrophobicContact CZ3-CG 3.8Å |
| 296 | G | 88 | Confident | 72.1 | Confident | 21 Ų | 21 | 93.8 Ų | 93.8 | 22% | 0.216 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 145 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I298 | G296-I298 PolarHBondContact O-N 3.1Å; G296-I298 VanDerWaalsContact O-N 3.12Å |
| 297 | D | 76.3 | Confident | 69.7 | Low | 109 Ų | 109 | 91.8 Ų | 91.8 | 58% | 0.583 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 116.8 | 166.1 | -66.3 | -29.3 | 0 | 0 | 0 | 107.1 | K23 V299 | K23-D297 IonicContact NZ-OD2 3.72Å; K23-D297 PolarHBondContact NZ-OD2 2.87Å; D297-V299 PolarHBondContact O-N 2.96Å |
| 298 | I | 53.3 | Low | 67.1 | Low | 136 Ų | 136 | 90.2 Ų | 90.2 | 70% | 0.697 | 47% | 0.466 | S | S | * | . | trans | -69.4 | 85.7 | 169.8 | -58 | 170.6 | 0 | 0 | 0 | 106.3 | G296 R300 | G296-I298 PolarHBondContact O-N 3.1Å; G296-I298 VanDerWaalsContact O-N 3.12Å; I298-R300 PolarHBondContact O-N 3.14Å; I298-R300 VanDerWaalsContact O-N 3.17Å | ||
| 299 | V | 45.7 | Very low | 64.8 | Low | 92 Ų | 92 | 92.2 Ų | 92.2 | 56% | 0.558 | 48% | 0.478 | S | S | * | . | trans | -69.2 | 110 | 159.4 | -173.8 | 0 | 0 | 0 | 0 | 104.3 | D297 K301 | D297-V299 PolarHBondContact O-N 2.96Å; V299-K301 HydrophobicContact CG1-CB 3.93Å; V299-K301 HydrophobicContact CG1-CD 4.22Å; V299-K301 HydrophobicContact CG1-CG 4Å; V299-K301 PolarHBondContact O-N 2.83Å | ||
| 300 | R | 37.4 | Very low | 62.2 | Low | 245 Ų | 245 | 93.8 Ų | 93.8 | 93% | 0.925 | 50% | 0.498 | S | S | * | . | trans | -63.9 | 67.6 | 164.5 | -78.5 | -175.9 | 178.4 | 173.5 | -0.8 | 109.2 | I298 | I298-R300 PolarHBondContact O-N 3.14Å; I298-R300 VanDerWaalsContact O-N 3.17Å | ||
| 301 | K | 36.1 | Very low | 59.8 | Low | 174 Ų | 174 | 97 Ų | 97 | 76% | 0.757 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -123.7 | 104.8 | 163.9 | -89 | -174.4 | 170.3 | -178.6 | 0 | 107.1 | V299 | V299-K301 HydrophobicContact CG1-CB 3.93Å; V299-K301 HydrophobicContact CG1-CD 4.22Å; V299-K301 HydrophobicContact CG1-CG 4Å; V299-K301 PolarHBondContact O-N 2.83Å |
| 302 | S | 37.3 | Very low | 57.1 | Low | 102 Ų | 102 | 103.6 Ų | 103.6 | 71% | 0.713 | 55% | 0.55 | S | S | * | * | trans | 39.6 | 88.5 | 165.3 | 61.7 | 0 | 0 | 0 | 0 | 116 | S304 | S302-S304 VanDerWaalsContact C-N 3.29Å; S302-S304 PolarHBondContact O-N 3.33Å | ||
| 303 | M | 41.4 | Very low | 54.6 | Low | 186 Ų | 186 | 114 Ų | 114 | 92% | 0.916 | 59% | 0.589 | S | S | * | * | trans | -56.9 | 95.7 | 147.5 | -79 | -105.7 | -69.9 | 0 | 0 | 108.6 | ||||
| 304 | S | 49.3 | Very low | 52 | Low | 87 Ų | 87 | 121.9 Ų | 121.9 | 61% | 0.608 | 63% | 0.625 | S | S | * | * | trans | -156.9 | 6.2 | 165.2 | 58.7 | 0 | 0 | 0 | 0 | 116.9 | S302 | S302-S304 VanDerWaalsContact C-N 3.29Å; S302-S304 PolarHBondContact O-N 3.33Å | ||
| 305 | H | 42.3 | Very low | 49.2 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 72% | 0.722 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -134.4 | -22.1 | 177.8 | -112.2 | 41.4 | 0 | 0 | 0 | 118.6 | ||
| 306 | Q | 43.3 | Very low | 46.5 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 82% | 0.822 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -95.3 | -22.9 | -180 | -76.3 | 179.9 | -10.6 | 0 | 0 | 114.6 | A308 | Q306-A308 VanDerWaalsContact C-N 3.34Š|
| 307 | A | 43.6 | Very low | 44 | Very low | 68 Ų | 68 | 133 Ų | 133 | 56% | 0.562 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -75 | -20.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S311 | A307-S311 PolarHBondContact O-OG 3.38Å |
| 308 | A | 41.6 | Very low | 41.9 | Very low | 48 Ų | 48 | 134.3 Ų | 134.3 | 40% | 0.397 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -76.9 | -30.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q306 S311 Q312 | Q306-A308 VanDerWaalsContact C-N 3.34Å; A308-S311 PolarHBondContact O-OG 3.14Å; A308-Q312 WeakPolarHBondContact O-CG 3.34Å |
| 309 | I | 48.3 | Very low | 40.9 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 55% | 0.554 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -79.4 | -30.6 | -176.6 | -57.1 | 177.8 | 0 | 0 | 0 | 111.2 | ||
| 310 | A | 44.3 | Very low | 40.4 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -76.3 | -26.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 311 | S | 44.5 | Very low | 40.1 | Very low | 70 Ų | 70 | 129 Ų | 129 | 49% | 0.49 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -82.3 | -28.2 | 179.2 | 39.6 | 0 | 0 | 0 | 0 | 113.1 | A307 A308 R313 | A307-S311 PolarHBondContact O-OG 3.38Å; A308-S311 PolarHBondContact O-OG 3.14Å; S311-R313 VanDerWaalsContact C-N 3.3Å; S311-R313 PolarHBondContact O-N 2.59Å |
| 312 | Q | 41.3 | Very low | 40 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -9.3 | 179.6 | -73.4 | -178.4 | -9.5 | 0 | 0 | 114.9 | A308 | A308-Q312 WeakPolarHBondContact O-CG 3.34Š|
| 313 | R | 44.5 | Very low | 39.9 | Very low | 222 Ų | 222 | 130.2 Ų | 130.2 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -5.9 | 175.7 | -80.4 | -173.4 | 177.2 | 179.3 | -0 | 114.4 | S311 | S311-R313 VanDerWaalsContact C-N 3.3Å; S311-R313 PolarHBondContact O-N 2.59Å |
| 314 | F | 43.6 | Very low | 39.5 | Very low | 190 Ų | 190 | 132.9 Ų | 132.9 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -113.2 | -6.9 | -175.8 | -117.9 | -90.2 | 0 | 0 | 0 | 115 | ||
| 315 | E | 37.1 | Very low | 38.8 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -104.5 | 70.2 | 173.3 | -71.7 | -174.7 | 166.8 | 0 | 0 | 110.2 | ||
| 316 | G | 37.2 | Very low | 38.6 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | trans | -157.2 | 34.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 317 | T | 34.9 | Very low | 38.1 | Very low | 139 Ų | 139 | 130 Ų | 130 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | -136 | 81.1 | 164.9 | 38.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 318 | T | 32.4 | Very low | 37.7 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -65.8 | 132 | 166.8 | 6.7 | 0 | 0 | 0 | 0 | 109.7 | L320 | T318-L320 PolarHBondContact O-N 3.12Š| ||
| 319 | S | 33.8 | Very low | 37.4 | Very low | 119 Ų | 119 | 142 Ų | 142 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -59.1 | 121.8 | 178.8 | 39.3 | 0 | 0 | 0 | 0 | 112.5 | G321 | S319-G321 PolarHBondContact O-N 3.32Š| ||
| 320 | L | 33.9 | Very low | 36.9 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 94% | 0.942 | 80% | 0.797 | S | S | * | * | trans | -80.9 | 110.3 | 171.3 | -84.8 | 154.7 | 0 | 0 | 0 | 110.5 | T318 | T318-L320 PolarHBondContact O-N 3.12Š| ||
| 321 | G | 31.9 | Very low | 36.6 | Very low | 62 Ų | 62 | 146.3 Ų | 146.3 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | trans | 44 | 114.6 | 133.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | S319 V323 | S319-G321 PolarHBondContact O-N 3.32Å; G321-V323 PolarHBondContact O-N 2.91Å | ||
| 322 | D | 34.2 | Very low | 36.3 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -48.8 | 119.2 | 159.3 | -87 | -37.8 | 0 | 0 | 0 | 112.2 | ||||
| 323 | V | 33.9 | Very low | 36.2 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | trans | -89.8 | 106.2 | 170.8 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | G321 | G321-V323 PolarHBondContact O-N 2.91Š| ||
| 324 | R | 33.6 | Very low | 35.8 | Very low | 242 Ų | 242 | 142.6 Ų | 142.6 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 119.8 | 166.3 | -77.2 | -177.3 | 177 | -177.7 | -0.8 | 110 | ||
| 325 | T | 35.8 | Very low | 36.1 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 138.7 | 167.4 | 15 | 0 | 0 | 0 | 0 | 110.4 | ||
| 326 | P | 37.3 | Very low | 36.2 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 81% | 0.812 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 129 | 171.9 | 33.2 | -25.2 | 0 | 0 | 0 | 110.9 | ||
| 327 | S | 33.8 | Very low | 36.1 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 75% | 0.748 | 85% | 0.854 | S | S | * | * | trans | -150.1 | 121.5 | 166.5 | 63.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 328 | Q | 34.7 | Very low | 36.2 | Very low | 185 Ų | 185 | 154.1 Ų | 154.1 | 86% | 0.864 | 85% | 0.854 | S | S | * | * | trans | 87.5 | 92.8 | 147.4 | -66.6 | -176.6 | -11.6 | 0 | 0 | 118.9 | ||||
| 329 | L | 35.3 | Very low | 36.4 | Very low | 181 Ų | 181 | 155.1 Ų | 155.1 | 95% | 0.948 | 86% | 0.855 | S | S | * | * | trans | -58.5 | 132.1 | 143 | -77.3 | 149.5 | 0 | 0 | 0 | 109.2 | ||||
| 330 | S | 37.7 | Very low | 36.5 | Very low | 113 Ų | 113 | 157.2 Ų | 157.2 | 79% | 0.79 | 86% | 0.857 | S | S | * | * | trans | -127 | 142.5 | 161.4 | 49.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 331 | D | 36.8 | Very low | 36.7 | Very low | 161 Ų | 161 | 155.8 Ų | 155.8 | 86% | 0.861 | 85% | 0.851 | S | S | * | * | trans | -69.6 | 140.4 | -161.3 | -73.5 | -52.8 | 0 | 0 | 0 | 116 | ||||
| 332 | N | 38.7 | Very low | 37 | Very low | 140 Ų | 140 | 162.1 Ų | 162.1 | 75% | 0.749 | 87% | 0.865 | S | S | * | * | trans | -8 | 122 | 135.8 | -148.2 | 11.8 | 0 | 0 | 0 | 117.8 | ||||
| 333 | N | 40.1 | Very low | 37.2 | Very low | 158 Ų | 158 | 161.5 Ų | 161.5 | 85% | 0.845 | 86% | 0.862 | S | S | * | * | 172.9 | 129.8 | 120.7 | -98.6 | -28.1 | 0 | 0 | 0 | 112.8 | |||||
| 334 | G | 36.2 | Very low | 37.5 | Very low | 75 Ų | 75 | 163.8 Ų | 163.8 | 77% | 0.773 | 87% | 0.867 | S | S | * | * | trans | 169 | 75.6 | 165 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 335 | R | 48 | Very low | 37.8 | Very low | 245 Ų | 245 | 157.3 Ų | 157.3 | 93% | 0.925 | 86% | 0.863 | S | S | * | * | trans | -3.2 | 125.9 | 152.9 | -65.4 | 171.1 | 174.5 | 174 | -2.1 | 118.1 | ||||
| 336 | Q | 39.5 | Very low | 38 | Very low | 269 Ų | 269 | 159.9 Ų | 159.9 | 100% | 1.257 | 87% | 0.87 | S | S | * | * | -170.8 | 0 | 94.7 | -110.9 | -176.6 | 6.7 | 0 | 0 | 110.5 |
Retrieved 336 of 336 residues in 807.6 ms
(Link to these results)