| 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 | 43.9 | Very low | 54.3 | Low | 198 Ų | 198 | 98.3 Ų | 98.3 | 98% | 0.975 | 54% | 0.544 | S | S | * | . | 0 | 106.4 | 0 | 177.8 | 169.5 | 171.5 | 0 | 0 | 106.3 | |||||
| 2 | T | 41.6 | Very low | 54.8 | Low | 103 Ų | 103 | 100.1 Ų | 100.1 | 63% | 0.632 | 54% | 0.542 | S | S | * | . | trans | -86 | 130.1 | -174.4 | -41.8 | 0 | 0 | 0 | 0 | 109.4 | D14 | T2-D14 HydrophobicContact CG2-CB 3.77Š| ||
| 3 | I | 51.9 | Low | 55.3 | Low | 39 Ų | 39 | 97.2 Ų | 97.2 | 20% | 0.2 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.9 | -177.7 | -60.8 | 164.8 | 0 | 0 | 0 | 108.9 | F15 | I3-F15 PolarHBondContact N-O 3.21Å; I3-F15 VanDerWaalsContact N-O 3.15Å; I3-F15 PolarHBondContact O-N 2.87Å |
| 4 | R | 48.2 | Very low | 55.6 | Low | 187 Ų | 187 | 96.7 Ų | 96.7 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 119.4 | 172.2 | -74.4 | -178.8 | -166.5 | -178.8 | 7.6 | 110.5 | F12 D13 D14 | R4-F12 HydrophobicContact CB-CB 4.29Å; R4-D13 CarbonylContact C-O 3.59Å; R4-D13 WeakPolarHBondContact CA-O 3.4Å; R4-D14 WeakPolarHBondContact CG-OD1 3.18Å; R4-D14 IonicContact NE-OD1 2.68Å |
| 5 | V | 55.1 | Low | 55.7 | Low | 19 Ų | 19 | 96.3 Ų | 96.3 | 12% | 0.115 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.6 | 178 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | V7 F12 D13 F15 F58 | V5-V7 PolarHBondContact O-N 3.24Å; V5-F12 CarbonylContact O-C 3.46Å; V5-F12 WeakPolarHBondContact O-CA 2.94Å; V5-D13 PolarHBondContact N-O 3.35Å; V5-D13 PolarHBondContact O-N 2.74Å; V5-F15 HydrophobicContact CB-CD2 4.1Å; V5-F15 HydrophobicContact CG2-CB 3.94Å; V5-F15 HydrophobicContact CG2-CD2 3.88Å; V5-F15 HydrophobicContact CG2-CG 4.18Å; V5-F58 HydrophobicContact CG1-CD2 4.25Å; V5-F58 HydrophobicContact CG1-CG 4.37Å; V5-F58 HydrophobicContact CG2-CE2 4.48Å; V5-F58 HydrophobicContact CG2-CZ 4.49Å |
| 6 | G | 50.9 | Low | 55.9 | Low | 42 Ų | 42 | 97.3 Ų | 97.3 | 43% | 0.433 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 109.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y11 | G6-Y11 CarbonylContact C-O 3.59Å |
| 7 | V | 56 | Low | 56.1 | Low | 53 Ų | 53 | 99.1 Ų | 99.1 | 32% | 0.321 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -30.6 | 176.6 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | V5 Y11 D13 Q60 | V5-V7 PolarHBondContact O-N 3.24Å; V7-Y11 HydrophobicContact CB-CD1 3.7Å; V7-Y11 HydrophobicContact CB-CE1 4.11Å; V7-Y11 HydrophobicContact CG1-CD1 4.1Å; V7-Y11 HydrophobicContact CG1-CE1 4.41Å; V7-Y11 HydrophobicContact CG2-CD1 4.14Å; V7-Y11 HydrophobicContact CG2-CE1 4.08Å; V7-Y11 PolarHBondContact N-O 2.83Å; V7-D13 HydrophobicContact CG2-CB 3.91Å; V7-Q60 PolarHBondContact O-NE2 3.11Å; V7-Q60 VanDerWaalsContact O-NE2 3.15Å |
| 8 | T | 57.5 | Low | 56 | Low | 84 Ų | 84 | 95.3 Ų | 95.3 | 52% | 0.515 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 175 | 167.1 | 70.2 | 0 | 0 | 0 | 0 | 109.5 | N10 Y11 | T8-N10 PolarHBondContact O-N 2.94Å; T8-N10 PolarHBondContact OG1-N 3.29Å; T8-Y11 PolarHBondContact N-O 3.15Å; T8-Y11 PolarHBondContact O-N 3.15Å; T8-Y11 WeakPolarHBondContact OG1-CB 3.49Å; T8-Y11 PolarHBondContact OG1-N 3.48Å; T8-Y11 VanDerWaalsContact OG1-N 3.16Å |
| 9 | G | 59.8 | Low | 55.9 | Low | 72 Ų | 72 | 92.2 Ų | 92.2 | 74% | 0.742 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -21.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 10 | N | 70.9 | Confident | 55.8 | Low | 161 Ų | 161 | 95.4 Ų | 95.4 | 86% | 0.861 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | 0.2 | -175.8 | -61.3 | -24.1 | 0 | 0 | 0 | 114.4 | T8 | T8-N10 PolarHBondContact O-N 2.94Å; T8-N10 PolarHBondContact OG1-N 3.29Å |
| 11 | Y | 61.6 | Low | 55.6 | Low | 123 Ų | 123 | 94.6 Ų | 94.6 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126.2 | -177 | 177.6 | -113.2 | 0 | 0 | 0 | 110.5 | G6 V7 T8 D13 | G6-Y11 CarbonylContact C-O 3.59Å; V7-Y11 HydrophobicContact CB-CD1 3.7Å; V7-Y11 HydrophobicContact CB-CE1 4.11Å; V7-Y11 HydrophobicContact CG1-CD1 4.1Å; V7-Y11 HydrophobicContact CG1-CE1 4.41Å; V7-Y11 HydrophobicContact CG2-CD1 4.14Å; V7-Y11 HydrophobicContact CG2-CE1 4.08Å; V7-Y11 PolarHBondContact N-O 2.83Å; T8-Y11 PolarHBondContact N-O 3.15Å; T8-Y11 PolarHBondContact O-N 3.15Å; T8-Y11 WeakPolarHBondContact OG1-CB 3.49Å; T8-Y11 PolarHBondContact OG1-N 3.48Å; T8-Y11 VanDerWaalsContact OG1-N 3.16Å; Y11-D13 HydrophobicContact CE1-CB 4.39Å |
| 12 | F | 60.6 | Low | 56.2 | Low | 120 Ų | 120 | 86.9 Ų | 86.9 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.4 | -179.6 | -64.6 | -98.5 | 0 | 0 | 0 | 109.8 | R4 V5 | R4-F12 HydrophobicContact CB-CB 4.29Å; V5-F12 CarbonylContact O-C 3.46Å; V5-F12 WeakPolarHBondContact O-CA 2.94Å |
| 13 | D | 60.9 | Low | 56.9 | Low | 62 Ų | 62 | 86.1 Ų | 86.1 | 33% | 0.332 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 144.9 | 178.9 | -155 | -8.2 | 0 | 0 | 0 | 110.9 | R4 V5 V7 Y11 F15 | R4-D13 CarbonylContact C-O 3.59Å; R4-D13 WeakPolarHBondContact CA-O 3.4Å; V5-D13 PolarHBondContact N-O 3.35Å; V5-D13 PolarHBondContact O-N 2.74Å; V7-D13 HydrophobicContact CG2-CB 3.91Å; Y11-D13 HydrophobicContact CE1-CB 4.39Å; D13-F15 HydrophobicContact CB-CD2 4.2Å; D13-F15 HydrophobicContact CB-CE2 3.98Å; D13-F15 PolarHBondContact O-N 3.44Å |
| 14 | D | 59.3 | Low | 57.8 | Low | 91 Ų | 91 | 92 Ų | 92 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 102.5 | -177.3 | -85.2 | -39.3 | 0 | 0 | 0 | 109.8 | T2 R4 | T2-D14 HydrophobicContact CG2-CB 3.77Å; R4-D14 WeakPolarHBondContact CG-OD1 3.18Å; R4-D14 IonicContact NE-OD1 2.68Å |
| 15 | F | 57.1 | Low | 59.2 | Low | 91 Ų | 91 | 87.6 Ų | 87.6 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 133.9 | 176.5 | -86.8 | -98.8 | 0 | 0 | 0 | 111.7 | I3 V5 D13 P18 | I3-F15 PolarHBondContact N-O 3.21Å; I3-F15 VanDerWaalsContact N-O 3.15Å; I3-F15 PolarHBondContact O-N 2.87Å; V5-F15 HydrophobicContact CB-CD2 4.1Å; V5-F15 HydrophobicContact CG2-CB 3.94Å; V5-F15 HydrophobicContact CG2-CD2 3.88Å; V5-F15 HydrophobicContact CG2-CG 4.18Å; D13-F15 HydrophobicContact CB-CD2 4.2Å; D13-F15 HydrophobicContact CB-CE2 3.98Å; D13-F15 PolarHBondContact O-N 3.44Å; F15-P18 HydrophobicContact CB-CG 4.37Å |
| 16 | S | 58.8 | Low | 60.5 | Low | 111 Ų | 111 | 89.2 Ų | 89.2 | 78% | 0.776 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -86.7 | -26.9 | 178.9 | 47.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 17 | D | 60.1 | Low | 62.1 | Low | 128 Ų | 128 | 91 Ų | 91 | 68% | 0.684 | 52% | 0.518 | S | S | * | . | trans | -163.6 | 100.6 | 175.6 | -168.8 | -3.4 | 0 | 0 | 0 | 112 | G19 | D17-G19 PolarHBondContact O-N 2.81Å; D17-G19 PolarHBondContact OD1-N 2.75Å | ||
| 18 | P | 54.4 | Low | 63.7 | Low | 31 Ų | 31 | 91.1 Ų | 91.1 | 20% | 0.201 | 52% | 0.518 | C | S | . | . | trans | -79.1 | 5.9 | -175.4 | -11.3 | 26.6 | 0 | 0 | 0 | 115.5 | F15 I22 F58 | F15-P18 HydrophobicContact CB-CG 4.37Å; P18-I22 HydrophobicContact CB-CD1 4.07Å; P18-I22 HydrophobicContact CB-CG1 4.35Å; P18-I22 HydrophobicContact CG-CD1 4.15Å; P18-F58 HydrophobicContact CB-CD1 3.88Å; P18-F58 HydrophobicContact CB-CE1 3.44Å; P18-F58 VanDerWaalsContact CB-CE1 3.44Å; P18-F58 HydrophobicContact CG-CD1 4.44Å; P18-F58 HydrophobicContact CG-CE1 3.58Å; P18-F58 HydrophobicContact CG-CZ 4.24Å | ||
| 19 | G | 53.3 | Low | 65.2 | Low | 36 Ų | 36 | 92.2 Ų | 92.2 | 37% | 0.371 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.9 | 101.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | D17 S21 | D17-G19 PolarHBondContact O-N 2.81Å; D17-G19 PolarHBondContact OD1-N 2.75Å; G19-S21 PolarHBondContact O-N 2.76Å |
| 20 | V | 53.4 | Low | 66.7 | Low | 156 Ų | 156 | 89.9 Ų | 89.9 | 95% | 0.945 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | -27.7 | 158.8 | -150 | 0 | 0 | 0 | 0 | 118.1 | I22 | V20-I22 PolarHBondContact O-N 2.88Š|
| 21 | S | 51.6 | Low | 67.4 | Low | 79 Ų | 79 | 89 Ų | 89 | 55% | 0.552 | 48% | 0.481 | S | S | * | . | trans | -98 | 52.6 | -176.1 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | G19 | G19-S21 PolarHBondContact O-N 2.76Š| ||
| 22 | I | 57.5 | Low | 68.5 | Low | 36 Ų | 36 | 87.8 Ų | 87.8 | 19% | 0.185 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 108.2 | 176.1 | -48.3 | -178.3 | 0 | 0 | 0 | 109.1 | P18 V20 K24 R56 V57 F58 | P18-I22 HydrophobicContact CB-CD1 4.07Å; P18-I22 HydrophobicContact CB-CG1 4.35Å; P18-I22 HydrophobicContact CG-CD1 4.15Å; V20-I22 PolarHBondContact O-N 2.88Å; I22-K24 HydrophobicContact CG2-CG 4.1Å; I22-K24 PolarHBondContact O-N 3.2Å; I22-R56 HydrophobicContact CG2-CB 3.59Å; I22-R56 HydrophobicContact CG2-CG 3.82Å; I22-V57 WeakPolarHBondContact CA-O 3.5Å; I22-F58 HydrophobicContact CB-CE1 4.33Å; I22-F58 HydrophobicContact CD1-CD1 4.36Å; I22-F58 HydrophobicContact CD1-CE1 3.44Å; I22-F58 VanDerWaalsContact CD1-CE1 3.44Å; I22-F58 HydrophobicContact CD1-CZ 3.98Å; I22-F58 HydrophobicContact CG1-CD1 3.86Å; I22-F58 HydrophobicContact CG1-CE1 3.42Å; I22-F58 VanDerWaalsContact CG1-CE1 3.42Å; I22-F58 HydrophobicContact CG1-CZ 4.24Å; I22-F58 HydrophobicContact CG2-CE1 4.13Å; I22-F58 HydrophobicContact CG2-CZ 4.21Å |
| 23 | D | 56.5 | Low | 69.4 | Low | 87 Ų | 87 | 86.9 Ų | 86.9 | 47% | 0.465 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 127.1 | 163.6 | -95 | 7 | 0 | 0 | 0 | 108.7 | R56 V57 Y59 | D23-R56 CarbonylContact O-C 3.6Å; D23-R56 WeakPolarHBondContact O-CA 3.18Å; D23-V57 HydrophobicContact CB-CB 3.88Å; D23-V57 PolarHBondContact N-O 3.37Å; D23-V57 PolarHBondContact O-N 3.24Å; D23-Y59 HydrophobicContact CB-CE2 4.11Å; D23-Y59 PolarHBondContact OD2-OH 3.4Å |
| 24 | K | 69.8 | Low | 70.2 | Confident | 164 Ų | 164 | 86.4 Ų | 86.4 | 71% | 0.713 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 105.7 | -178.2 | -65 | 176 | -171.7 | 169.1 | 0 | 108.1 | I22 I55 | I22-K24 HydrophobicContact CG2-CG 4.1Å; I22-K24 PolarHBondContact O-N 3.2Å; K24-I55 WeakPolarHBondContact CA-O 3.37Å |
| 25 | L | 77.9 | Confident | 70.9 | Confident | 94 Ų | 94 | 94.1 Ų | 94.1 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 125.4 | 167.8 | 178.4 | 65.2 | 0 | 0 | 0 | 108.4 | I27 I55 | L25-I27 HydrophobicContact CG-CG1 4.46Å; L25-I55 HydrophobicContact CB-CB 4.21Å; L25-I55 HydrophobicContact CD2-CD1 4.15Å; L25-I55 PolarHBondContact N-O 2.84Å; L25-I55 PolarHBondContact O-N 2.97Å |
| 26 | A | 81.6 | Confident | 71.6 | Confident | 52 Ų | 52 | 94.7 Ų | 94.7 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | R52 L53 | A26-R52 HydrophobicContact CB-CG 4.36Å; A26-L53 CarbonylContact C-O 3.54Å; A26-L53 WeakPolarHBondContact CA-O 3.37Å |
| 27 | I | 86.3 | Confident | 72.2 | Confident | 79 Ų | 79 | 94.3 Ų | 94.3 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 107.6 | 171.5 | -56.9 | 175.2 | 0 | 0 | 0 | 106.7 | L25 L53 I55 | L25-I27 HydrophobicContact CG-CG1 4.46Å; I27-L53 HydrophobicContact CB-CB 4.39Å; I27-L53 PolarHBondContact N-O 2.85Å; I27-L53 PolarHBondContact O-N 2.99Å; I27-I55 HydrophobicContact CD1-CD1 4.11Å |
| 28 | D | 88.9 | Confident | 73 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 31% | 0.305 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 132.2 | 170.8 | -65.9 | -36.4 | 0 | 0 | 0 | 109.1 | F45 R51 R52 | D28-F45 HydrophobicContact CB-CE1 4.08Å; D28-F45 HydrophobicContact CB-CZ 3.57Å; D28-F45 WeakPolarHBondContact O-CZ 3.15Å; D28-R51 WeakPolarHBondContact CA-O 3.42Å; D28-R52 VanDerWaalsContact OD1-CB 3.25Å; D28-R52 WeakPolarHBondContact OD1-CB 3.33Å; D28-R52 VanDerWaalsContact OD1-CG 3.29Å; D28-R52 WeakPolarHBondContact OD1-CG 3.22Å; D28-R52 IonicContact OD1-CZ 3.58Å; D28-R52 IonicContact OD1-NE 3.59Å; D28-R52 PolarHBondContact OD1-NE 3.36Å; D28-R52 IonicContact OD1-NH2 2.73Å; D28-R52 PolarHBondContact OD1-NH2 3.49Å; D28-R52 IonicContact OD2-CZ 3.78Å; D28-R52 IonicContact OD2-NE 3.37Å; D28-R52 IonicContact OD2-NH2 3.44Å; D28-R52 PolarHBondContact OD2-NH2 2.83Å |
| 29 | Y | 88.8 | Confident | 74.4 | Confident | 107 Ų | 107 | 100.8 Ų | 100.8 | 42% | 0.42 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 154.3 | -178.5 | 67.6 | -80.4 | 0 | 0 | 0 | 111.5 | R51 L53 | Y29-R51 HydrophobicContact CD1-CB 4.25Å; Y29-R51 WeakPolarHBondContact CD1-O 3.47Å; Y29-R51 HydrophobicContact CD2-CB 4.44Å; Y29-R51 HydrophobicContact CE1-CB 3.69Å; Y29-R51 HydrophobicContact CE2-CB 3.93Å; Y29-R51 PolarHBondContact N-O 3.47Å; Y29-R51 PolarHBondContact O-N 3.17Å; Y29-L53 HydrophobicContact CE1-CB 4.34Å |
| 30 | A | 90.4 | Very high | 76 | Confident | 22 Ų | 22 | 106.7 Ų | 106.7 | 18% | 0.182 | 56% | 0.559 | C | S | . | * | trans | -138.1 | 147.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109 | F45 Q48 R50 | A30-F45 HydrophobicContact CB-CD2 4.09Å; A30-F45 HydrophobicContact CB-CE2 4.12Å; A30-Q48 HydrophobicContact CB-CB 3.77Å; A30-Q48 HydrophobicContact CB-CG 4.19Å; A30-R50 HydrophobicContact CB-CG 4.25Å | ||
| 31 | L | 86.5 | Confident | 77.7 | Confident | 143 Ų | 143 | 101.2 Ų | 101.2 | 75% | 0.749 | 53% | 0.527 | S | S | * | . | trans | -71.8 | 131.1 | 174.2 | -74.1 | 167.6 | 0 | 0 | 0 | 109.3 | ||||
| 32 | I | 85.4 | Confident | 79.5 | Confident | 97 Ų | 97 | 100.2 Ų | 100.2 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | trans | -89.4 | 117.4 | 172.3 | -57.6 | -179 | 0 | 0 | 0 | 107.3 | S34 Y37 F44 | I32-S34 VanDerWaalsContact C-N 3.31Å; I32-S34 WeakPolarHBondContact CG2-O 3.39Å; I32-S34 PolarHBondContact O-N 3.16Å; I32-Y37 HydrophobicContact CG2-CD2 3.42Å; I32-Y37 VanDerWaalsContact CG2-CD2 3.42Å; I32-Y37 HydrophobicContact CG2-CE2 4.32Å; I32-Y37 HydrophobicContact CG2-CG 3.88Å; I32-F44 HydrophobicContact CG1-CE1 4.35Å | ||
| 33 | P | 79.6 | Confident | 81 | Confident | 101 Ų | 101 | 106 Ų | 106 | 66% | 0.656 | 55% | 0.546 | S | S | * | . | trans | -75.7 | -16.8 | -172.2 | 29 | -34.4 | 0 | 0 | 0 | 113.7 | ||||
| 34 | S | 77.5 | Confident | 82.4 | Confident | 52 Ų | 52 | 103.3 Ų | 103.3 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -145.4 | 157.4 | -178.2 | 77.1 | 0 | 0 | 0 | 0 | 112.7 | I32 S36 | I32-S34 VanDerWaalsContact C-N 3.31Å; I32-S34 WeakPolarHBondContact CG2-O 3.39Å; I32-S34 PolarHBondContact O-N 3.16Å; S34-S36 PolarHBondContact O-N 3.39Å; S34-S36 VanDerWaalsContact O-N 3.11Å |
| 35 | R | 73.4 | Confident | 83.4 | Confident | 253 Ų | 253 | 96.8 Ų | 96.8 | 96% | 0.955 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -0.2 | 178.7 | -64.3 | -174.4 | 180 | -160.7 | 0.1 | 114.2 | Y37 | R35-Y37 PolarHBondContact O-N 2.73Š|
| 36 | S | 72.8 | Confident | 83.9 | Confident | 104 Ų | 104 | 99.5 Ų | 99.5 | 73% | 0.727 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -11.9 | -176.3 | -52.3 | 0 | 0 | 0 | 0 | 113.7 | S34 | S34-S36 PolarHBondContact O-N 3.39Å; S34-S36 VanDerWaalsContact O-N 3.11Å |
| 37 | Y | 70.8 | Confident | 84.4 | Confident | 102 Ų | 102 | 101.1 Ų | 101.1 | 40% | 0.4 | 52% | 0.516 | S | S | . | . | trans | -94.7 | 109.5 | 176.9 | -60.3 | -88.7 | 0 | 0 | 0 | 109.7 | I32 R35 F44 | I32-Y37 HydrophobicContact CG2-CD2 3.42Å; I32-Y37 VanDerWaalsContact CG2-CD2 3.42Å; I32-Y37 HydrophobicContact CG2-CE2 4.32Å; I32-Y37 HydrophobicContact CG2-CG 3.88Å; R35-Y37 PolarHBondContact O-N 2.73Å; Y37-F44 HydrophobicContact CE1-CB 4.5Å; Y37-F44 AromaticContact CE1-CD2 3.78Å; Y37-F44 HydrophobicContact CE1-CD2 3.78Å; Y37-F44 HydrophobicContact CE1-CE2 4.15Å; Y37-F44 HydrophobicContact CE1-CG 4.03Å; Y37-F44 HydrophobicContact CE2-CE2 4.14Å; Y37-F44 HydrophobicContact CE2-CZ 4.47Å; Y37-F44 AromaticContact CZ-CD2 3.75Å; Y37-F44 AromaticContact CZ-CE2 3.73Å | ||
| 38 | S | 75.9 | Confident | 84.5 | Confident | 115 Ų | 115 | 100.4 Ų | 100.4 | 80% | 0.804 | 51% | 0.51 | S | S | * | . | trans | -106.6 | -7.9 | 178.7 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 39 | K | 84.9 | Confident | 84.4 | Confident | 180 Ų | 180 | 105 Ų | 105 | 78% | 0.783 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -138.2 | 152.7 | 179.6 | -64.8 | -176.7 | -178.5 | 178.9 | 0 | 110.2 | ||
| 40 | F | 87.5 | Confident | 84.4 | Confident | 161 Ų | 161 | 104.8 Ų | 104.8 | 71% | 0.706 | 53% | 0.533 | S | S | * | . | trans | -64.1 | 134.8 | 173.2 | 179.6 | -99.6 | 0 | 0 | 0 | 110.5 | F45 | F40-F45 HydrophobicContact CE2-CB 3.9Å; F40-F45 HydrophobicContact CE2-CD1 4.25Å; F40-F45 HydrophobicContact CE2-CD2 4.02Å; F40-F45 AromaticContact CE2-CG 3.81Å; F40-F45 HydrophobicContact CE2-CG 3.81Å; F40-F45 HydrophobicContact CZ-CB 3.99Å; F40-F45 HydrophobicContact CZ-CD1 4.11Å; F40-F45 HydrophobicContact CZ-CG 4.02Å | ||
| 41 | S | 87.4 | Confident | 84.3 | Confident | 41 Ų | 41 | 111.5 Ų | 111.5 | 29% | 0.287 | 55% | 0.554 | S | S | . | * | trans | -127.4 | 121.4 | 171.3 | 163.3 | 0 | 0 | 0 | 0 | 108.1 | F44 F45 | S41-F44 PolarHBondContact OG-N 2.84Å; S41-F45 WeakPolarHBondContact O-CB 3.29Å; S41-F45 PolarHBondContact O-N 2.75Å | ||
| 42 | S | 89.2 | Confident | 84.3 | Confident | 57 Ų | 57 | 112.7 Ų | 112.7 | 40% | 0.399 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 176.2 | 47 | 0 | 0 | 0 | 0 | 111 | F44 F45 Y46 | S42-F44 PolarHBondContact O-N 3.37Å; S42-F45 WeakPolarHBondContact O-CB 3.39Å; S42-F45 PolarHBondContact O-N 2.68Å; S42-F45 VanDerWaalsContact O-N 3.09Å; S42-Y46 WeakPolarHBondContact O-CD2 3.25Å; S42-Y46 PolarHBondContact O-N 3.37Å |
| 43 | E | 89.6 | Confident | 84.1 | Confident | 157 Ų | 157 | 112.5 Ų | 112.5 | 73% | 0.734 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -56.6 | -50.1 | -180 | -66.8 | 158.4 | -179.6 | 0 | 0 | 111.8 | Y46 S47 | E43-Y46 PolarHBondContact O-N 3.01Å; E43-S47 PolarHBondContact O-N 2.85Å |
| 44 | F | 87.1 | Confident | 84.2 | Confident | 32 Ų | 32 | 111.1 Ų | 111.1 | 14% | 0.14 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 173.5 | 170.3 | -97.4 | 0 | 0 | 0 | 110.8 | I32 Y37 S41 S42 Y46 S47 Q48 | I32-F44 HydrophobicContact CG1-CE1 4.35Å; Y37-F44 HydrophobicContact CE1-CB 4.5Å; Y37-F44 AromaticContact CE1-CD2 3.78Å; Y37-F44 HydrophobicContact CE1-CD2 3.78Å; Y37-F44 HydrophobicContact CE1-CE2 4.15Å; Y37-F44 HydrophobicContact CE1-CG 4.03Å; Y37-F44 HydrophobicContact CE2-CE2 4.14Å; Y37-F44 HydrophobicContact CE2-CZ 4.47Å; Y37-F44 AromaticContact CZ-CD2 3.75Å; Y37-F44 AromaticContact CZ-CE2 3.73Å; S41-F44 PolarHBondContact OG-N 2.84Å; S42-F44 PolarHBondContact O-N 3.37Å; F44-Y46 VanDerWaalsContact C-N 3.33Å; F44-Y46 PolarHBondContact O-N 2.88Å; F44-S47 PolarHBondContact O-N 3.09Å; F44-S47 VanDerWaalsContact O-N 3.1Å; F44-S47 PolarHBondContact O-OG 3.27Å; F44-Q48 HydrophobicContact CD1-CG 4.25Å; F44-Q48 HydrophobicContact CD2-CG 4.34Å; F44-Q48 HydrophobicContact CE1-CG 3.74Å; F44-Q48 HydrophobicContact CE2-CG 3.85Å; F44-Q48 VanDerWaalsContact CE2-NE2 3.25Å; F44-Q48 HydrophobicContact CZ-CG 3.51Å; F44-Q48 WeakPolarHBondContact O-CG 3.43Å; F44-Q48 PolarHBondContact O-N 3.4Å |
| 45 | F | 89.6 | Confident | 84.2 | Confident | 26 Ų | 26 | 111.7 Ų | 111.7 | 11% | 0.114 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -59 | -43.1 | -177.3 | -175.5 | -110.1 | 0 | 0 | 0 | 112.5 | D28 A30 F40 S41 S42 S47 Q48 R50 | D28-F45 HydrophobicContact CB-CE1 4.08Å; D28-F45 HydrophobicContact CB-CZ 3.57Å; D28-F45 WeakPolarHBondContact O-CZ 3.15Å; A30-F45 HydrophobicContact CB-CD2 4.09Å; A30-F45 HydrophobicContact CB-CE2 4.12Å; F40-F45 HydrophobicContact CE2-CB 3.9Å; F40-F45 HydrophobicContact CE2-CD1 4.25Å; F40-F45 HydrophobicContact CE2-CD2 4.02Å; F40-F45 AromaticContact CE2-CG 3.81Å; F40-F45 HydrophobicContact CE2-CG 3.81Å; F40-F45 HydrophobicContact CZ-CB 3.99Å; F40-F45 HydrophobicContact CZ-CD1 4.11Å; F40-F45 HydrophobicContact CZ-CG 4.02Å; S41-F45 WeakPolarHBondContact O-CB 3.29Å; S41-F45 PolarHBondContact O-N 2.75Å; S42-F45 WeakPolarHBondContact O-CB 3.39Å; S42-F45 PolarHBondContact O-N 2.68Å; S42-F45 VanDerWaalsContact O-N 3.09Å; F45-S47 VanDerWaalsContact C-N 3.31Å; F45-S47 PolarHBondContact O-N 3.45Å; F45-Q48 PolarHBondContact O-N 2.99Å; F45-R50 HydrophobicContact CD2-CG 4.39Å; F45-R50 HydrophobicContact CE1-CG 4.32Å; F45-R50 HydrophobicContact CE2-CG 4.1Å; F45-R50 HydrophobicContact CZ-CG 4.08Å; F45-R50 WeakPolarHBondContact O-CD 2.94Å; F45-R50 WeakPolarHBondContact O-CG 3.38Å |
| 46 | Y | 89.7 | Confident | 84.2 | Confident | 151 Ų | 151 | 105.3 Ų | 105.3 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.9 | -25.7 | 177.7 | -72.3 | -66.5 | 0 | 0 | 0 | 113.2 | S42 E43 F44 | S42-Y46 WeakPolarHBondContact O-CD2 3.25Å; S42-Y46 PolarHBondContact O-N 3.37Å; E43-Y46 PolarHBondContact O-N 3.01Å; F44-Y46 VanDerWaalsContact C-N 3.33Å; F44-Y46 PolarHBondContact O-N 2.88Å |
| 47 | S | 90.9 | Very high | 83.9 | Confident | 87 Ų | 87 | 103.1 Ų | 103.1 | 61% | 0.608 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -81.7 | -12.6 | 177.7 | 87.4 | 0 | 0 | 0 | 0 | 113.9 | E43 F44 F45 | E43-S47 PolarHBondContact O-N 2.85Å; F44-S47 PolarHBondContact O-N 3.09Å; F44-S47 VanDerWaalsContact O-N 3.1Å; F44-S47 PolarHBondContact O-OG 3.27Å; F45-S47 VanDerWaalsContact C-N 3.31Å; F45-S47 PolarHBondContact O-N 3.45Å |
| 48 | Q | 88.3 | Confident | 83.4 | Confident | 63 Ų | 63 | 101.1 Ų | 101.1 | 29% | 0.294 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -88.8 | 160.1 | 179.9 | -62.7 | -42.2 | -64.6 | 0 | 0 | 113.2 | A30 F44 F45 R50 | A30-Q48 HydrophobicContact CB-CB 3.77Å; A30-Q48 HydrophobicContact CB-CG 4.19Å; F44-Q48 HydrophobicContact CD1-CG 4.25Å; F44-Q48 HydrophobicContact CD2-CG 4.34Å; F44-Q48 HydrophobicContact CE1-CG 3.74Å; F44-Q48 HydrophobicContact CE2-CG 3.85Å; F44-Q48 VanDerWaalsContact CE2-NE2 3.25Å; F44-Q48 HydrophobicContact CZ-CG 3.51Å; F44-Q48 WeakPolarHBondContact O-CG 3.43Å; F44-Q48 PolarHBondContact O-N 3.4Å; F45-Q48 PolarHBondContact O-N 2.99Å; Q48-R50 PolarHBondContact O-N 3.1Å |
| 49 | N | 86.9 | Confident | 82.5 | Confident | 155 Ų | 155 | 102.9 Ų | 102.9 | 83% | 0.829 | 49% | 0.485 | S | S | * | . | trans | -73.5 | 90 | 166.3 | -164.9 | -4.3 | 0 | 0 | 0 | 110 | ||||
| 50 | R | 88.6 | Confident | 81.1 | Confident | 101 Ų | 101 | 105.1 Ų | 105.1 | 38% | 0.381 | 50% | 0.498 | S | S | . | . | trans | -75.9 | 145.1 | -176.3 | -69.6 | 169.1 | -73.6 | 170.8 | 1.2 | 111.6 | A30 F45 Q48 | A30-R50 HydrophobicContact CB-CG 4.25Å; F45-R50 HydrophobicContact CD2-CG 4.39Å; F45-R50 HydrophobicContact CE1-CG 4.32Å; F45-R50 HydrophobicContact CE2-CG 4.1Å; F45-R50 HydrophobicContact CZ-CG 4.08Å; F45-R50 WeakPolarHBondContact O-CD 2.94Å; F45-R50 WeakPolarHBondContact O-CG 3.38Å; Q48-R50 PolarHBondContact O-N 3.1Å | ||
| 51 | R | 88.2 | Confident | 80.8 | Confident | 164 Ų | 164 | 102.3 Ų | 102.3 | 62% | 0.619 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 148.8 | 169.2 | -64.7 | -175.9 | -179.2 | -172.5 | 0.8 | 109 | D28 Y29 | D28-R51 WeakPolarHBondContact CA-O 3.42Å; Y29-R51 HydrophobicContact CD1-CB 4.25Å; Y29-R51 WeakPolarHBondContact CD1-O 3.47Å; Y29-R51 HydrophobicContact CD2-CB 4.44Å; Y29-R51 HydrophobicContact CE1-CB 3.69Å; Y29-R51 HydrophobicContact CE2-CB 3.93Å; Y29-R51 PolarHBondContact N-O 3.47Å; Y29-R51 PolarHBondContact O-N 3.17Å |
| 52 | R | 86.2 | Confident | 80.5 | Confident | 168 Ų | 168 | 105.5 Ų | 105.5 | 63% | 0.634 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.2 | 178.6 | 176.9 | 167.9 | -76 | -176.2 | -5.3 | 109.5 | A26 D28 | A26-R52 HydrophobicContact CB-CG 4.36Å; D28-R52 VanDerWaalsContact OD1-CB 3.25Å; D28-R52 WeakPolarHBondContact OD1-CB 3.33Å; D28-R52 VanDerWaalsContact OD1-CG 3.29Å; D28-R52 WeakPolarHBondContact OD1-CG 3.22Å; D28-R52 IonicContact OD1-CZ 3.58Å; D28-R52 IonicContact OD1-NE 3.59Å; D28-R52 PolarHBondContact OD1-NE 3.36Å; D28-R52 IonicContact OD1-NH2 2.73Å; D28-R52 PolarHBondContact OD1-NH2 3.49Å; D28-R52 IonicContact OD2-CZ 3.78Å; D28-R52 IonicContact OD2-NE 3.37Å; D28-R52 IonicContact OD2-NH2 3.44Å; D28-R52 PolarHBondContact OD2-NH2 2.83Å |
| 53 | L | 81.2 | Confident | 80 | Confident | 92 Ų | 92 | 108.2 Ų | 108.2 | 48% | 0.482 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 115.2 | 163.5 | -179.3 | 65.3 | 0 | 0 | 0 | 108 | A26 I27 Y29 I55 | A26-L53 CarbonylContact C-O 3.54Å; A26-L53 WeakPolarHBondContact CA-O 3.37Å; I27-L53 HydrophobicContact CB-CB 4.39Å; I27-L53 PolarHBondContact N-O 2.85Å; I27-L53 PolarHBondContact O-N 2.99Å; Y29-L53 HydrophobicContact CE1-CB 4.34Å; L53-I55 HydrophobicContact CD2-CD1 4.28Å; L53-I55 HydrophobicContact CD2-CG1 4.4Å; L53-I55 HydrophobicContact CG-CG1 4.21Å |
| 54 | A | 82.5 | Confident | 79.4 | Confident | 73 Ų | 73 | 105.4 Ų | 105.4 | 60% | 0.603 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 55 | I | 78.3 | Confident | 78.9 | Confident | 64 Ų | 64 | 109.9 Ų | 109.9 | 33% | 0.328 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.7 | 177.5 | -57 | 169.8 | 0 | 0 | 0 | 107.1 | K24 L25 I27 L53 V57 | K24-I55 WeakPolarHBondContact CA-O 3.37Å; L25-I55 HydrophobicContact CB-CB 4.21Å; L25-I55 HydrophobicContact CD2-CD1 4.15Å; L25-I55 PolarHBondContact N-O 2.84Å; L25-I55 PolarHBondContact O-N 2.97Å; I27-I55 HydrophobicContact CD1-CD1 4.11Å; L53-I55 HydrophobicContact CD2-CD1 4.28Å; L53-I55 HydrophobicContact CD2-CG1 4.4Å; L53-I55 HydrophobicContact CG-CG1 4.21Å; I55-V57 HydrophobicContact CG2-CG2 4.39Å |
| 56 | R | 72.8 | Confident | 78.2 | Confident | 118 Ų | 118 | 115.5 Ų | 115.5 | 45% | 0.445 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.2 | 175.2 | -68.3 | -177.9 | -174.8 | -178.4 | 2 | 107.6 | I22 D23 F58 | I22-R56 HydrophobicContact CG2-CB 3.59Å; I22-R56 HydrophobicContact CG2-CG 3.82Å; D23-R56 CarbonylContact O-C 3.6Å; D23-R56 WeakPolarHBondContact O-CA 3.18Å; R56-F58 HydrophobicContact CB-CD2 4.43Å; R56-F58 HydrophobicContact CB-CE2 3.56Å; R56-F58 HydrophobicContact CB-CZ 3.79Å |
| 57 | V | 65.8 | Low | 77.4 | Confident | 58 Ų | 58 | 113 Ų | 113 | 35% | 0.352 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.4 | 177.3 | -179.3 | 0 | 0 | 0 | 0 | 107.2 | I22 D23 I55 | I22-V57 WeakPolarHBondContact CA-O 3.5Å; D23-V57 HydrophobicContact CB-CB 3.88Å; D23-V57 PolarHBondContact N-O 3.37Å; D23-V57 PolarHBondContact O-N 3.24Å; I55-V57 HydrophobicContact CG2-CG2 4.39Å |
| 58 | F | 61.9 | Low | 76.4 | Confident | 60 Ų | 60 | 115 Ų | 115 | 26% | 0.263 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130 | 177.5 | -58.3 | -90.7 | 0 | 0 | 0 | 107.1 | V5 P18 I22 R56 | V5-F58 HydrophobicContact CG1-CD2 4.25Å; V5-F58 HydrophobicContact CG1-CG 4.37Å; V5-F58 HydrophobicContact CG2-CE2 4.48Å; V5-F58 HydrophobicContact CG2-CZ 4.49Å; P18-F58 HydrophobicContact CB-CD1 3.88Å; P18-F58 HydrophobicContact CB-CE1 3.44Å; P18-F58 VanDerWaalsContact CB-CE1 3.44Å; P18-F58 HydrophobicContact CG-CD1 4.44Å; P18-F58 HydrophobicContact CG-CE1 3.58Å; P18-F58 HydrophobicContact CG-CZ 4.24Å; I22-F58 HydrophobicContact CB-CE1 4.33Å; I22-F58 HydrophobicContact CD1-CD1 4.36Å; I22-F58 HydrophobicContact CD1-CE1 3.44Å; I22-F58 VanDerWaalsContact CD1-CE1 3.44Å; I22-F58 HydrophobicContact CD1-CZ 3.98Å; I22-F58 HydrophobicContact CG1-CD1 3.86Å; I22-F58 HydrophobicContact CG1-CE1 3.42Å; I22-F58 VanDerWaalsContact CG1-CE1 3.42Å; I22-F58 HydrophobicContact CG1-CZ 4.24Å; I22-F58 HydrophobicContact CG2-CE1 4.13Å; I22-F58 HydrophobicContact CG2-CZ 4.21Å; R56-F58 HydrophobicContact CB-CD2 4.43Å; R56-F58 HydrophobicContact CB-CE2 3.56Å; R56-F58 HydrophobicContact CB-CZ 3.79Å |
| 59 | Y | 56.8 | Low | 75.4 | Confident | 153 Ų | 153 | 119.3 Ų | 119.3 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | trans | -86.7 | 140.6 | 176.2 | -65.6 | -83 | 0 | 0 | 0 | 109.9 | D23 | D23-Y59 HydrophobicContact CB-CE2 4.11Å; D23-Y59 PolarHBondContact OD2-OH 3.4Å | ||
| 60 | Q | 55.2 | Low | 74.3 | Confident | 226 Ų | 226 | 116.1 Ų | 116.1 | 100% | 1.056 | 52% | 0.524 | S | S | * | . | trans | -94.3 | 0 | 171.7 | -76.2 | -178.8 | -16.3 | 0 | 0 | 110.4 | V7 | V7-Q60 PolarHBondContact O-NE2 3.11Å; V7-Q60 VanDerWaalsContact O-NE2 3.15Å |
Retrieved 60 of 60 residues in 43.9 ms
(Link to these results)