| 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 | 56.1 | Low | 57.4 | Low | 175 Ų | 175 | 99.1 Ų | 99.1 | 86% | 0.862 | 51% | 0.511 | S | S | * | . | 0 | 129.1 | 0 | -61.4 | 178 | -175 | 0 | 0 | 108.1 | |||||
| 2 | I | 57.6 | Low | 56.8 | Low | 60 Ų | 60 | 97.1 Ų | 97.1 | 31% | 0.308 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.8 | 179.8 | -59.8 | 174.4 | 0 | 0 | 0 | 107.9 | R4 T54 R56 | I2-R4 HydrophobicContact CG2-CG 4.01Å; I2-T54 PolarHBondContact N-O 2.95Å; I2-T54 VanDerWaalsContact N-O 3.11Å; I2-T54 PolarHBondContact O-N 3.04Å; I2-T54 PolarHBondContact O-OG1 3.35Å; I2-T54 VanDerWaalsContact O-OG1 3.07Å; I2-R56 HydrophobicContact CD1-CG 4.22Å |
| 3 | L | 56.6 | Low | 56.3 | Low | 82 Ų | 82 | 95.6 Ų | 95.6 | 43% | 0.429 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.3 | 170.7 | -173.3 | 71.1 | 0 | 0 | 0 | 107.9 | C51 K53 | L3-C51 HydrophobicContact CD1-CB 4.26Å; L3-K53 HydrophobicContact CD1-CG 4.08Å |
| 4 | R | 62.6 | Low | 56.3 | Low | 130 Ų | 130 | 92.9 Ų | 92.9 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.2 | 175 | -65.8 | -176 | -179.2 | -107.6 | 3.5 | 107.9 | I2 C51 W52 T54 | I2-R4 HydrophobicContact CG2-CG 4.01Å; R4-C51 CarbonylContact O-C 3.57Å; R4-C51 WeakPolarHBondContact O-CA 3.18Å; R4-W52 PolarHBondContact N-O 3.31Å; R4-W52 PolarHBondContact O-N 3.4Å; R4-T54 HydrophobicContact CG-CG2 4.42Å; R4-T54 PolarHBondContact NE-OG1 3.07Å |
| 5 | C | 60.3 | Low | 55.9 | Low | 49 Ų | 49 | 95.7 Ų | 95.7 | 33% | 0.331 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.7 | 177.2 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | L27 L49 H50 C51 | C5-L27 HydrophobicContact CB-CD1 4.16Å; C5-L27 WeakPolarHBondContact SG-CD1 2.91Å; C5-L49 HydrophobicContact CB-CD1 4.47Å; C5-H50 CarbonylContact C-O 3.57Å; C5-H50 WeakPolarHBondContact CA-O 3.2Å; C5-C51 HydrophobicContact CB-CB 4.13Å; C5-C51 WeakPolarHBondContact CB-SG 3.27Å; C5-C51 WeakPolarHBondContact SG-CB 3.45Å; C5-C51 CovalentContact SG-SG 2.04Å; C5-C51 PolarHBondContact SG-SG 3.05Å |
| 6 | W | 62.8 | Low | 56.1 | Low | 165 Ų | 165 | 95.6 Ų | 95.6 | 63% | 0.625 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 146.5 | 172.4 | -71.1 | 58.6 | 0 | 0 | 0 | 108.2 | G8 L49 H50 W52 | W6-G8 PolarHBondContact O-N 3.38Å; W6-L49 CarbonylContact O-C 3.58Å; W6-L49 WeakPolarHBondContact O-CA 3.01Å; W6-H50 PolarHBondContact N-O 2.96Å; W6-H50 PolarHBondContact O-N 3.11Å; W6-W52 HydrophobicContact CB-CZ3 4.17Å; W6-W52 AromaticContact CD1-CH2 3.1Å; W6-W52 AromaticContact CD1-CZ2 3.69Å; W6-W52 AromaticContact CD1-CZ3 3.36Å; W6-W52 AromaticContact CD2-CH2 3.96Å; W6-W52 HydrophobicContact CD2-CH2 3.96Å; W6-W52 HydrophobicContact CD2-CZ3 4.47Å; W6-W52 AromaticContact CE2-CH2 3.66Å; W6-W52 AromaticContact CG-CH2 3.66Å; W6-W52 HydrophobicContact CG-CH2 3.66Å; W6-W52 AromaticContact CG-CZ3 3.76Å; W6-W52 HydrophobicContact CG-CZ3 3.76Å; W6-W52 HydrophobicContact CZ2-CH2 4.47Å; W6-W52 AromaticContact NE1-CH2 3.11Å; W6-W52 AromaticContact NE1-CZ2 3.37Å; W6-W52 AromaticContact NE1-CZ3 3.89Å |
| 7 | L | 63.1 | Low | 55.9 | Low | 100 Ų | 100 | 93.6 Ų | 93.6 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 105 | 164.7 | -79.7 | 158.9 | 0 | 0 | 0 | 107.3 | S9 L14 I47 L49 | L7-S9 PolarHBondContact O-N 3.48Å; L7-L14 HydrophobicContact CD1-CD1 3.75Å; L7-L14 HydrophobicContact CD2-CD1 3.25Å; L7-L14 HydrophobicContact CG-CD1 4.09Å; L7-I47 HydrophobicContact CD2-CG2 3.25Å; L7-L49 HydrophobicContact CD2-CD2 3.68Å; L7-L49 HydrophobicContact CG-CD2 3.99Å |
| 8 | G | 56.5 | Low | 55.5 | Low | 10 Ų | 10 | 97 Ų | 97 | 10% | 0.103 | 55% | 0.547 | C | S | . | . | trans | -65 | 132.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | W6 S10 R48 | W6-G8 PolarHBondContact O-N 3.38Å; G8-S10 PolarHBondContact O-N 2.93Å; G8-R48 PolarHBondContact N-O 2.7Å | ||
| 9 | S | 51.9 | Low | 55.7 | Low | 115 Ų | 115 | 96.1 Ų | 96.1 | 80% | 0.804 | 54% | 0.535 | S | S | * | . | trans | -46.7 | 100.8 | -175.5 | -163.2 | 0 | 0 | 0 | 0 | 110.3 | L7 | L7-S9 PolarHBondContact O-N 3.48Š| ||
| 10 | S | 50.2 | Low | 55.9 | Low | 31 Ų | 31 | 103.5 Ų | 103.5 | 22% | 0.217 | 55% | 0.554 | C | S | . | * | trans | -94.6 | 126.3 | 175.1 | -104.5 | 0 | 0 | 0 | 0 | 105.1 | G8 S12 R48 | G8-S10 PolarHBondContact O-N 2.93Å; S10-S12 PolarHBondContact O-N 2.84Å; S10-R48 WeakPolarHBondContact OG-CB 3.21Å | ||
| 11 | N | 54 | Low | 56.1 | Low | 173 Ų | 173 | 100.7 Ų | 100.7 | 93% | 0.925 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -58.4 | 11.1 | 164.1 | -77.3 | -11.2 | 0 | 0 | 0 | 113.2 | ||
| 12 | S | 49.9 | Very low | 56.5 | Low | 75 Ų | 75 | 100.7 Ų | 100.7 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -116.4 | 102.4 | -178.4 | -54.2 | 0 | 0 | 0 | 0 | 107 | S10 L14 | S10-S12 PolarHBondContact O-N 2.84Å; S12-L14 PolarHBondContact O-N 2.58Å; S12-L14 VanDerWaalsContact O-N 3.08Å |
| 13 | G | 49.9 | Very low | 56.3 | Low | 78 Ų | 78 | 100.3 Ų | 100.3 | 80% | 0.804 | 55% | 0.545 | S | S | * | . | trans | -49.8 | 116.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | N15 | G13-N15 VanDerWaalsContact C-N 3.29Å; G13-N15 PolarHBondContact O-N 2.99Å | ||
| 14 | L | 56.3 | Low | 56.2 | Low | 58 Ų | 58 | 107.1 Ų | 107.1 | 30% | 0.304 | 57% | 0.565 | S | S | . | * | trans | -74.5 | 88.4 | 173.6 | -70.6 | 169.7 | 0 | 0 | 0 | 108.3 | L7 S12 F16 I47 | L7-L14 HydrophobicContact CD1-CD1 3.75Å; L7-L14 HydrophobicContact CD2-CD1 3.25Å; L7-L14 HydrophobicContact CG-CD1 4.09Å; S12-L14 PolarHBondContact O-N 2.58Å; S12-L14 VanDerWaalsContact O-N 3.08Å; L14-F16 HydrophobicContact CB-CD2 4.27Å; L14-F16 HydrophobicContact CB-CE2 3.84Å; L14-F16 HydrophobicContact CD1-CE2 4.49Å; L14-F16 PolarHBondContact O-N 2.9Å; L14-I47 HydrophobicContact CD1-CG2 4.31Å; L14-I47 HydrophobicContact CD2-CB 4.5Å; L14-I47 HydrophobicContact CD2-CD1 3.44Å; L14-I47 VanDerWaalsContact CD2-CD1 3.44Å; L14-I47 HydrophobicContact CD2-CG1 3.62Å; L14-I47 HydrophobicContact CD2-CG2 4.28Å | ||
| 15 | N | 51.5 | Low | 56.1 | Low | 135 Ų | 135 | 103 Ų | 103 | 72% | 0.722 | 55% | 0.553 | S | S | * | * | trans | -86.7 | 97.6 | 174.2 | -161.7 | -21.5 | 0 | 0 | 0 | 109.2 | G13 G17 | G13-N15 VanDerWaalsContact C-N 3.29Å; G13-N15 PolarHBondContact O-N 2.99Å; N15-G17 PolarHBondContact O-N 2.81Å; N15-G17 WeakPolarHBondContact OD1-CA 3.37Å; N15-G17 PolarHBondContact OD1-N 3.14Å | ||
| 16 | F | 58.5 | Low | 55.7 | Low | 93 Ų | 93 | 105.7 Ų | 105.7 | 41% | 0.408 | 57% | 0.572 | S | S | . | * | trans | -79.6 | 44.9 | 168.3 | -68 | -85 | 0 | 0 | 0 | 111.1 | L14 N18 Y19 L23 | L14-F16 HydrophobicContact CB-CD2 4.27Å; L14-F16 HydrophobicContact CB-CE2 3.84Å; L14-F16 HydrophobicContact CD1-CE2 4.49Å; L14-F16 PolarHBondContact O-N 2.9Å; F16-N18 PolarHBondContact O-N 2.73Å; F16-Y19 PolarHBondContact O-N 2.82Å; F16-Y19 VanDerWaalsContact O-N 3.09Å; F16-L23 HydrophobicContact CE1-CB 4.05Å; F16-L23 HydrophobicContact CE1-CD1 4.28Å; F16-L23 HydrophobicContact CE1-CD2 3.6Å; F16-L23 HydrophobicContact CE1-CG 4.15Å; F16-L23 HydrophobicContact CZ-CB 4.46Å; F16-L23 HydrophobicContact CZ-CD2 3.51Å; F16-L23 HydrophobicContact CZ-CG 4.47Å | ||
| 17 | G | 52.9 | Low | 55.5 | Low | 62 Ų | 62 | 99.8 Ų | 99.8 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -2.5 | -162.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | N15 | N15-G17 PolarHBondContact O-N 2.81Å; N15-G17 WeakPolarHBondContact OD1-CA 3.37Å; N15-G17 PolarHBondContact OD1-N 3.14Å |
| 18 | N | 49.1 | Very low | 55.3 | Low | 155 Ų | 155 | 98.6 Ų | 98.6 | 83% | 0.829 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.5 | 35.2 | 158.8 | -144.2 | -8.8 | 0 | 0 | 0 | 113.7 | F16 R20 | F16-N18 PolarHBondContact O-N 2.73Å; N18-R20 PolarHBondContact O-N 2.04Å |
| 19 | Y | 57.7 | Low | 55.3 | Low | 80 Ų | 80 | 103.7 Ų | 103.7 | 31% | 0.314 | 58% | 0.582 | S | S | . | * | trans | -90 | 96.5 | -177.2 | -168.6 | -106.2 | 0 | 0 | 0 | 112 | F16 G21 H43 | F16-Y19 PolarHBondContact O-N 2.82Å; F16-Y19 VanDerWaalsContact O-N 3.09Å; Y19-G21 WeakPolarHBondContact CD1-O 3.02Å; Y19-G21 VanDerWaalsContact CE1-O 3.27Å; Y19-G21 WeakPolarHBondContact CE1-O 3.38Å; Y19-G21 PolarHBondContact O-N 2.8Å; Y19-H43 AromaticContact CD2-NE2 3.98Å | ||
| 20 | R | 61.3 | Low | 55.4 | Low | 243 Ų | 243 | 102.8 Ų | 102.8 | 92% | 0.917 | 57% | 0.568 | S | S | * | * | trans | -79.7 | 94.8 | 164 | -77.4 | -176.5 | 169.5 | 179.9 | -2.8 | 109.3 | N18 | N18-R20 PolarHBondContact O-N 2.04Š| ||
| 21 | G | 60.2 | Low | 55.4 | Low | 45 Ų | 45 | 106.2 Ų | 106.2 | 46% | 0.464 | 58% | 0.584 | S | S | . | * | S | Bend | trans | 167.9 | 166.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y19 L23 | Y19-G21 WeakPolarHBondContact CD1-O 3.02Å; Y19-G21 VanDerWaalsContact CE1-O 3.27Å; Y19-G21 WeakPolarHBondContact CE1-O 3.38Å; Y19-G21 PolarHBondContact O-N 2.8Å; G21-L23 PolarHBondContact O-N 3.41Å |
| 22 | H | 63.1 | Low | 55.4 | Low | 176 Ų | 176 | 104.6 Ų | 104.6 | 82% | 0.815 | 57% | 0.569 | S | S | * | * | trans | -79.1 | 116.3 | 172.7 | -58.9 | 110.7 | 0 | 0 | 0 | 109.5 | R24 | H22-R24 PolarHBondContact O-N 2.98Å; H22-R24 VanDerWaalsContact O-N 3.08Å | ||
| 23 | L | 53.9 | Low | 55.6 | Low | 51 Ų | 51 | 106 Ų | 106 | 27% | 0.267 | 57% | 0.571 | S | S | . | * | trans | -68.1 | 107.2 | 171 | -179.5 | 71.7 | 0 | 0 | 0 | 108.9 | F16 G21 I25 V40 I47 | F16-L23 HydrophobicContact CE1-CB 4.05Å; F16-L23 HydrophobicContact CE1-CD1 4.28Å; F16-L23 HydrophobicContact CE1-CD2 3.6Å; F16-L23 HydrophobicContact CE1-CG 4.15Å; F16-L23 HydrophobicContact CZ-CB 4.46Å; F16-L23 HydrophobicContact CZ-CD2 3.51Å; F16-L23 HydrophobicContact CZ-CG 4.47Å; G21-L23 PolarHBondContact O-N 3.41Å; L23-I25 HydrophobicContact CD2-CD1 3.76Å; L23-I25 HydrophobicContact CD2-CG1 3.81Å; L23-I25 HydrophobicContact CG-CD1 4.44Å; L23-I25 HydrophobicContact CG-CG1 3.98Å; L23-V40 HydrophobicContact CD1-CG1 3.62Å; L23-V40 HydrophobicContact CD1-CG2 4.19Å; L23-V40 HydrophobicContact CD2-CG2 4.24Å; L23-I47 HydrophobicContact CD2-CD1 3.88Å | ||
| 24 | R | 54.3 | Low | 55.9 | Low | 225 Ų | 225 | 107.1 Ų | 107.1 | 85% | 0.849 | 56% | 0.555 | S | S | * | * | trans | -87.9 | 110.7 | 174.4 | -63.3 | -178.4 | 72.1 | 176.5 | 2.7 | 109.4 | H22 | H22-R24 PolarHBondContact O-N 2.98Å; H22-R24 VanDerWaalsContact O-N 3.08Å | ||
| 25 | I | 60.5 | Low | 55.7 | Low | 44 Ų | 44 | 109.2 Ų | 109.2 | 23% | 0.226 | 56% | 0.564 | C | S | . | * | trans | -99.4 | 109 | 172.2 | -53.1 | 173.9 | 0 | 0 | 0 | 107.7 | L23 L27 V38 I47 L49 | L23-I25 HydrophobicContact CD2-CD1 3.76Å; L23-I25 HydrophobicContact CD2-CG1 3.81Å; L23-I25 HydrophobicContact CG-CD1 4.44Å; L23-I25 HydrophobicContact CG-CG1 3.98Å; I25-L27 PolarHBondContact O-N 3.01Å; I25-V38 HydrophobicContact CG2-CB 3.62Å; I25-V38 HydrophobicContact CG2-CG1 3.35Å; I25-V38 HydrophobicContact CG2-CG2 3.86Å; I25-I47 HydrophobicContact CD1-CD1 4.49Å; I25-L49 HydrophobicContact CB-CD1 4.01Å; I25-L49 HydrophobicContact CD1-CD1 3.66Å; I25-L49 HydrophobicContact CD1-CD2 4.11Å; I25-L49 HydrophobicContact CD1-CG 4.19Å; I25-L49 HydrophobicContact CG1-CD1 4.42Å; I25-L49 HydrophobicContact CG2-CD1 3.52Å | ||
| 26 | S | 52.9 | Low | 56.1 | Low | 105 Ų | 105 | 106.5 Ų | 106.5 | 73% | 0.734 | 54% | 0.544 | S | S | * | . | trans | -78.4 | 108.5 | 175.4 | -61.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 27 | L | 58.3 | Low | 56.1 | Low | 41 Ų | 41 | 107 Ų | 107 | 22% | 0.215 | 55% | 0.55 | C | S | . | * | trans | -96.6 | 131 | 168.4 | -70.9 | 138.6 | 0 | 0 | 0 | 108.9 | C5 I25 V38 L49 C51 | C5-L27 HydrophobicContact CB-CD1 4.16Å; C5-L27 WeakPolarHBondContact SG-CD1 2.91Å; I25-L27 PolarHBondContact O-N 3.01Å; L27-V38 HydrophobicContact CD2-CG2 3.62Å; L27-V38 HydrophobicContact CG-CG2 4.26Å; L27-L49 HydrophobicContact CD1-CD1 3.84Å; L27-L49 HydrophobicContact CD2-CD1 4.32Å; L27-L49 HydrophobicContact CG-CD1 4.32Å; L27-C51 WeakPolarHBondContact CD1-SG 3.38Å; L27-C51 VanDerWaalsContact CD2-SG 3.59Å | ||
| 28 | P | 58.2 | Low | 56.4 | Low | 75 Ų | 75 | 105 Ų | 105 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | trans | -60.1 | 145.1 | 169.6 | 26.1 | -32.8 | 0 | 0 | 0 | 109.4 | D30 | P28-D30 PolarHBondContact O-N 2.97Š| ||
| 29 | P | 56.7 | Low | 56.8 | Low | 117 Ų | 117 | 104.4 Ų | 104.4 | 76% | 0.76 | 52% | 0.516 | S | S | * | . | trans | -68.1 | 18.6 | -173.8 | 27.6 | -35.6 | 0 | 0 | 0 | 115.2 | N31 | P29-N31 PolarHBondContact O-N 2.81Å; P29-N31 PolarHBondContact O-OD1 2.92Å | ||
| 30 | D | 53.3 | Low | 56.9 | Low | 97 Ų | 97 | 101.2 Ų | 101.2 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | trans | -82.3 | 78.3 | -171.5 | -147.1 | -64.6 | 0 | 0 | 0 | 113.2 | P28 K32 R36 | P28-D30 PolarHBondContact O-N 2.97Å; D30-K32 VanDerWaalsContact C-N 3.3Å; D30-K32 PolarHBondContact O-N 3.3Å; D30-R36 PolarHBondContact O-NH2 3.27Å | ||
| 31 | N | 50.3 | Low | 56.7 | Low | 103 Ų | 103 | 101.6 Ų | 101.6 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | trans | 31.5 | -3.6 | 138.4 | -84.3 | 31.3 | 0 | 0 | 0 | 125.9 | P29 K53 | P29-N31 PolarHBondContact O-N 2.81Å; P29-N31 PolarHBondContact O-OD1 2.92Å; N31-K53 VanDerWaalsContact CG-CE 3.46Å; N31-K53 PolarHBondContact ND2-NZ 3.33Å; N31-K53 WeakPolarHBondContact OD1-CE 3.12Å; N31-K53 PolarHBondContact OD1-NZ 3.23Å | ||
| 32 | K | 54.2 | Low | 56.8 | Low | 138 Ų | 138 | 108.9 Ų | 108.9 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -117.1 | 139.3 | 179.2 | -62.2 | -177.8 | -176.7 | 178.1 | 0 | 111.2 | D30 Q34 | D30-K32 VanDerWaalsContact C-N 3.3Å; D30-K32 PolarHBondContact O-N 3.3Å; K32-Q34 HydrophobicContact CB-CG 4.02Å; K32-Q34 PolarHBondContact O-N 3.39Å |
| 33 | N | 54.8 | Low | 56.5 | Low | 106 Ų | 106 | 104.1 Ų | 104.1 | 57% | 0.567 | 50% | 0.497 | S | S | * | . | trans | -62.2 | 73.4 | 172.4 | -68.2 | -10.9 | 0 | 0 | 0 | 110.1 | C51 W52 K53 | N33-C51 WeakPolarHBondContact CA-O 3.31Å; N33-W52 WeakPolarHBondContact OD1-CA 3.39Å; N33-W52 WeakPolarHBondContact OD1-CB 3.49Å; N33-K53 PolarHBondContact OD1-N 3.25Å | ||
| 34 | Q | 55.4 | Low | 56.5 | Low | 101 Ų | 101 | 107.3 Ų | 107.3 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.8 | -175.8 | -68.6 | -168.6 | 28.2 | 0 | 0 | 110.5 | K32 R36 | K32-Q34 HydrophobicContact CB-CG 4.02Å; K32-Q34 PolarHBondContact O-N 3.39Å; Q34-R36 PolarHBondContact O-N 2.75Å |
| 35 | M | 53.6 | Low | 56.8 | Low | 101 Ų | 101 | 100.7 Ų | 100.7 | 50% | 0.498 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 119.8 | 170.2 | -173.4 | -178.7 | -65.2 | 0 | 0 | 108.6 | R48 L49 | M35-R48 HydrophobicContact CG-CB 4.29Å; M35-R48 HydrophobicContact SD-CB 4.33Å; M35-R48 HydrophobicContact SD-CG 4.47Å; M35-L49 CarbonylContact C-O 3.6Å; M35-L49 VanDerWaalsContact CA-O 3.31Å; M35-L49 WeakPolarHBondContact CA-O 3.24Å |
| 36 | R | 59.3 | Low | 56.6 | Low | 79 Ų | 79 | 102.7 Ų | 102.7 | 30% | 0.298 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.5 | 176.4 | -65.6 | -169.5 | -177.5 | -172.8 | 4.6 | 110.2 | D30 Q34 V38 L49 | D30-R36 PolarHBondContact O-NH2 3.27Å; Q34-R36 PolarHBondContact O-N 2.75Å; R36-V38 PolarHBondContact O-N 3.08Å; R36-L49 PolarHBondContact N-O 3.03Å; R36-L49 PolarHBondContact O-N 3.09Å |
| 37 | L | 57.5 | Low | 57.1 | Low | 102 Ų | 102 | 98 Ų | 98 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 109.4 | 169.1 | -163.2 | 74.6 | 0 | 0 | 0 | 107.3 | N46 R48 | L37-N46 HydrophobicContact CD1-CB 3.7Å; L37-N46 HydrophobicContact CD2-CB 3.81Å; L37-N46 HydrophobicContact CG-CB 3.75Å; L37-R48 HydrophobicContact CD1-CG 3.52Å |
| 38 | V | 59 | Low | 57.4 | Low | 21 Ų | 21 | 102.1 Ų | 102.1 | 13% | 0.127 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.2 | 173.8 | -167.7 | 0 | 0 | 0 | 0 | 108.7 | I25 L27 R36 V40 I47 L49 | I25-V38 HydrophobicContact CG2-CB 3.62Å; I25-V38 HydrophobicContact CG2-CG1 3.35Å; I25-V38 HydrophobicContact CG2-CG2 3.86Å; L27-V38 HydrophobicContact CD2-CG2 3.62Å; L27-V38 HydrophobicContact CG-CG2 4.26Å; R36-V38 PolarHBondContact O-N 3.08Å; V38-V40 PolarHBondContact O-N 3.3Å; V38-I47 PolarHBondContact N-O 3.33Å; V38-I47 PolarHBondContact O-N 2.78Å; V38-L49 HydrophobicContact CG2-CD1 4.28Å |
| 39 | K | 58.5 | Low | 57.8 | Low | 142 Ų | 142 | 98.9 Ų | 98.9 | 62% | 0.617 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 111.9 | 171.6 | -172.3 | 174 | -176.8 | 175.9 | 0 | 108.2 | R41 | K39-R41 PolarHBondContact O-N 3.45Å |
| 40 | V | 59.9 | Low | 58.2 | Low | 14 Ų | 14 | 96.2 Ų | 96.2 | 9% | 0.085 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 114.4 | 169.5 | 172.8 | 0 | 0 | 0 | 0 | 106.7 | L23 V38 R42 H43 L45 I47 | L23-V40 HydrophobicContact CD1-CG1 3.62Å; L23-V40 HydrophobicContact CD1-CG2 4.19Å; L23-V40 HydrophobicContact CD2-CG2 4.24Å; V38-V40 PolarHBondContact O-N 3.3Å; V40-R42 PolarHBondContact O-N 2.82Å; V40-R42 VanDerWaalsContact O-N 3.14Å; V40-H43 CarbonylContact O-C 3.57Å; V40-L45 PolarHBondContact N-O 3.08Å; V40-I47 HydrophobicContact CG2-CD1 3.48Å; V40-I47 VanDerWaalsContact CG2-CD1 3.48Å; V40-I47 HydrophobicContact CG2-CG1 3.85Å |
| 41 | R | 57.1 | Low | 58.6 | Low | 250 Ų | 250 | 92 Ų | 92 | 94% | 0.943 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26.7 | -174.5 | -86.8 | -167.8 | 172.5 | -178.6 | -1.7 | 114.1 | K39 | K39-R41 PolarHBondContact O-N 3.45Š|
| 42 | R | 61.1 | Low | 59.3 | Low | 199 Ų | 199 | 90.7 Ų | 90.7 | 75% | 0.751 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -19.3 | -170.4 | -163.9 | 164.6 | -177.8 | 136.4 | -0.9 | 114.7 | V40 | V40-R42 PolarHBondContact O-N 2.82Å; V40-R42 VanDerWaalsContact O-N 3.14Å |
| 43 | H | 57 | Low | 59.5 | Low | 75 Ų | 75 | 87.3 Ų | 87.3 | 35% | 0.347 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | 122.5 | 173.1 | -58.4 | -78.8 | 0 | 0 | 0 | 104.4 | Y19 V40 L45 | Y19-H43 AromaticContact CD2-NE2 3.98Å; V40-H43 CarbonylContact O-C 3.57Å; H43-L45 HydrophobicContact CB-CB 4.36Å; H43-L45 HydrophobicContact CB-CD1 3.77Å; H43-L45 HydrophobicContact CB-CG 3.99Å; H43-L45 PolarHBondContact O-N 3.34Å |
| 44 | S | 54.1 | Low | 59.7 | Low | 118 Ų | 118 | 84.1 Ų | 84.1 | 83% | 0.825 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 54.5 | -179.5 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 45 | L | 61 | Low | 59.5 | Low | 87 Ų | 87 | 87 Ų | 87 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.7 | -171.2 | -66.5 | 176.1 | 0 | 0 | 0 | 106.9 | V40 H43 | V40-L45 PolarHBondContact N-O 3.08Å; H43-L45 HydrophobicContact CB-CB 4.36Å; H43-L45 HydrophobicContact CB-CD1 3.77Å; H43-L45 HydrophobicContact CB-CG 3.99Å; H43-L45 PolarHBondContact O-N 3.34Å |
| 46 | N | 57.1 | Low | 59.3 | Low | 86 Ų | 86 | 91.7 Ų | 91.7 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 110.9 | 177.8 | -68.8 | -62.7 | 0 | 0 | 0 | 108.2 | L37 | L37-N46 HydrophobicContact CD1-CB 3.7Å; L37-N46 HydrophobicContact CD2-CB 3.81Å; L37-N46 HydrophobicContact CG-CB 3.75Å |
| 47 | I | 63.6 | Low | 58.1 | Low | 5 Ų | 5 | 99.1 Ų | 99.1 | 3% | 0.026 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 127.6 | -179.7 | -53.9 | -170.2 | 0 | 0 | 0 | 108.5 | L7 L14 L23 I25 V38 V40 L49 | L7-I47 HydrophobicContact CD2-CG2 3.25Å; L14-I47 HydrophobicContact CD1-CG2 4.31Å; L14-I47 HydrophobicContact CD2-CB 4.5Å; L14-I47 HydrophobicContact CD2-CD1 3.44Å; L14-I47 VanDerWaalsContact CD2-CD1 3.44Å; L14-I47 HydrophobicContact CD2-CG1 3.62Å; L14-I47 HydrophobicContact CD2-CG2 4.28Å; L23-I47 HydrophobicContact CD2-CD1 3.88Å; I25-I47 HydrophobicContact CD1-CD1 4.49Å; V38-I47 PolarHBondContact N-O 3.33Å; V38-I47 PolarHBondContact O-N 2.78Å; V40-I47 HydrophobicContact CG2-CD1 3.48Å; V40-I47 VanDerWaalsContact CG2-CD1 3.48Å; V40-I47 HydrophobicContact CG2-CG1 3.85Å; I47-L49 HydrophobicContact CG2-CD2 4.15Å; I47-L49 HydrophobicContact CG2-CG 4.41Å |
| 48 | R | 64.4 | Low | 57.1 | Low | 128 Ų | 128 | 103.8 Ų | 103.8 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 121.1 | 169.6 | -71.4 | -178.8 | 162.9 | 173 | -3.6 | 109.1 | G8 S10 M35 L37 | G8-R48 PolarHBondContact N-O 2.7Å; S10-R48 WeakPolarHBondContact OG-CB 3.21Å; M35-R48 HydrophobicContact CG-CB 4.29Å; M35-R48 HydrophobicContact SD-CB 4.33Å; M35-R48 HydrophobicContact SD-CG 4.47Å; L37-R48 HydrophobicContact CD1-CG 3.52Å |
| 49 | L | 65.4 | Low | 57.1 | Low | 8 Ų | 8 | 108 Ų | 108 | 4% | 0.042 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135 | 170.6 | -69 | -174.3 | 0 | 0 | 0 | 109.9 | C5 W6 L7 I25 L27 M35 R36 V38 I47 | C5-L49 HydrophobicContact CB-CD1 4.47Å; W6-L49 CarbonylContact O-C 3.58Å; W6-L49 WeakPolarHBondContact O-CA 3.01Å; L7-L49 HydrophobicContact CD2-CD2 3.68Å; L7-L49 HydrophobicContact CG-CD2 3.99Å; I25-L49 HydrophobicContact CB-CD1 4.01Å; I25-L49 HydrophobicContact CD1-CD1 3.66Å; I25-L49 HydrophobicContact CD1-CD2 4.11Å; I25-L49 HydrophobicContact CD1-CG 4.19Å; I25-L49 HydrophobicContact CG1-CD1 4.42Å; I25-L49 HydrophobicContact CG2-CD1 3.52Å; L27-L49 HydrophobicContact CD1-CD1 3.84Å; L27-L49 HydrophobicContact CD2-CD1 4.32Å; L27-L49 HydrophobicContact CG-CD1 4.32Å; M35-L49 CarbonylContact C-O 3.6Å; M35-L49 VanDerWaalsContact CA-O 3.31Å; M35-L49 WeakPolarHBondContact CA-O 3.24Å; R36-L49 PolarHBondContact N-O 3.03Å; R36-L49 PolarHBondContact O-N 3.09Å; V38-L49 HydrophobicContact CG2-CD1 4.28Å; I47-L49 HydrophobicContact CG2-CD2 4.15Å; I47-L49 HydrophobicContact CG2-CG 4.41Å |
| 50 | H | 64.7 | Low | 57 | Low | 60 Ų | 60 | 106.2 Ų | 106.2 | 28% | 0.278 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 109.8 | 163.7 | -173.6 | -106.9 | 0 | 0 | 0 | 108.6 | C5 W6 W52 | C5-H50 CarbonylContact C-O 3.57Å; C5-H50 WeakPolarHBondContact CA-O 3.2Å; W6-H50 PolarHBondContact N-O 2.96Å; W6-H50 PolarHBondContact O-N 3.11Å; H50-W52 AromaticContact CE1-CE3 3.63Å; H50-W52 AromaticContact ND1-CE3 3.25Å; H50-W52 AromaticContact ND1-CZ3 3.51Å |
| 51 | C | 62.7 | Low | 56.8 | Low | 10 Ų | 10 | 111.3 Ų | 111.3 | 7% | 0.068 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 135.1 | 176.8 | -67.3 | 0 | 0 | 0 | 0 | 110.4 | L3 R4 C5 L27 N33 | L3-C51 HydrophobicContact CD1-CB 4.26Å; R4-C51 CarbonylContact O-C 3.57Å; R4-C51 WeakPolarHBondContact O-CA 3.18Å; C5-C51 HydrophobicContact CB-CB 4.13Å; C5-C51 WeakPolarHBondContact CB-SG 3.27Å; C5-C51 WeakPolarHBondContact SG-CB 3.45Å; C5-C51 CovalentContact SG-SG 2.04Å; C5-C51 PolarHBondContact SG-SG 3.05Å; L27-C51 WeakPolarHBondContact CD1-SG 3.38Å; L27-C51 VanDerWaalsContact CD2-SG 3.59Å; N33-C51 WeakPolarHBondContact CA-O 3.31Å |
| 52 | W | 64.6 | Low | 56.8 | Low | 74 Ų | 74 | 103.1 Ų | 103.1 | 28% | 0.28 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 152.3 | 170.6 | 67.3 | 84.8 | 0 | 0 | 0 | 111.8 | R4 W6 N33 H50 | R4-W52 PolarHBondContact N-O 3.31Å; R4-W52 PolarHBondContact O-N 3.4Å; W6-W52 HydrophobicContact CB-CZ3 4.17Å; W6-W52 AromaticContact CD1-CH2 3.1Å; W6-W52 AromaticContact CD1-CZ2 3.69Å; W6-W52 AromaticContact CD1-CZ3 3.36Å; W6-W52 AromaticContact CD2-CH2 3.96Å; W6-W52 HydrophobicContact CD2-CH2 3.96Å; W6-W52 HydrophobicContact CD2-CZ3 4.47Å; W6-W52 AromaticContact CE2-CH2 3.66Å; W6-W52 AromaticContact CG-CH2 3.66Å; W6-W52 HydrophobicContact CG-CH2 3.66Å; W6-W52 AromaticContact CG-CZ3 3.76Å; W6-W52 HydrophobicContact CG-CZ3 3.76Å; W6-W52 HydrophobicContact CZ2-CH2 4.47Å; W6-W52 AromaticContact NE1-CH2 3.11Å; W6-W52 AromaticContact NE1-CZ2 3.37Å; W6-W52 AromaticContact NE1-CZ3 3.89Å; N33-W52 WeakPolarHBondContact OD1-CA 3.39Å; N33-W52 WeakPolarHBondContact OD1-CB 3.49Å; H50-W52 AromaticContact CE1-CE3 3.63Å; H50-W52 AromaticContact ND1-CE3 3.25Å; H50-W52 AromaticContact ND1-CZ3 3.51Å |
| 53 | K | 59 | Low | 56.5 | Low | 67 Ų | 67 | 97.1 Ų | 97.1 | 29% | 0.291 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 121.3 | 172.3 | -76.3 | -175.5 | 155.8 | -159.5 | 0 | 109.6 | L3 N31 N33 | L3-K53 HydrophobicContact CD1-CG 4.08Å; N31-K53 VanDerWaalsContact CG-CE 3.46Å; N31-K53 PolarHBondContact ND2-NZ 3.33Å; N31-K53 WeakPolarHBondContact OD1-CE 3.12Å; N31-K53 PolarHBondContact OD1-NZ 3.23Å; N33-K53 PolarHBondContact OD1-N 3.25Å |
| 54 | T | 57.9 | Low | 56.5 | Low | 39 Ų | 39 | 98.6 Ų | 98.6 | 24% | 0.239 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 116.7 | 158.3 | 52.3 | 0 | 0 | 0 | 0 | 108.2 | I2 R4 R56 | I2-T54 PolarHBondContact N-O 2.95Å; I2-T54 VanDerWaalsContact N-O 3.11Å; I2-T54 PolarHBondContact O-N 3.04Å; I2-T54 PolarHBondContact O-OG1 3.35Å; I2-T54 VanDerWaalsContact O-OG1 3.07Å; R4-T54 HydrophobicContact CG-CG2 4.42Å; R4-T54 PolarHBondContact NE-OG1 3.07Å; T54-R56 PolarHBondContact O-N 2.98Å |
| 55 | Q | 51.6 | Low | 56.7 | Low | 161 Ų | 161 | 97.2 Ų | 97.2 | 75% | 0.752 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 129.3 | 160.8 | -72 | -178 | -15.9 | 0 | 0 | 106.7 | Y57 | Q55-Y57 PolarHBondContact O-N 3.14Š|
| 56 | R | 49.5 | Very low | 56.3 | Low | 201 Ų | 201 | 98 Ų | 98 | 76% | 0.758 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 118.3 | 165.9 | -134.4 | 176.6 | -176.5 | 164.3 | 0.2 | 103.1 | I2 T54 C58 | I2-R56 HydrophobicContact CD1-CG 4.22Å; T54-R56 PolarHBondContact O-N 2.98Å; R56-C58 PolarHBondContact O-N 2.58Å |
| 57 | Y | 33.8 | Very low | 56.3 | Low | 234 Ų | 234 | 99 Ų | 99 | 92% | 0.918 | 46% | 0.458 | S | S | * | . | trans | -56.8 | 113 | 171.9 | -93.9 | -94.1 | 0 | 0 | 0 | 107.9 | Q55 | Q55-Y57 PolarHBondContact O-N 3.14Š| ||
| 58 | C | 38.1 | Very low | 55.6 | Low | 201 Ų | 201 | 107.5 Ų | 107.5 | 100% | 1.358 | 50% | 0.497 | S | S | * | . | trans | -161.7 | 0 | 134.2 | -136.3 | 0 | 0 | 0 | 0 | 107.5 | R56 | R56-C58 PolarHBondContact O-N 2.58Š|
Retrieved 58 of 58 residues in 11 ms
(Link to these results)