| 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 | 60.6 | Low | 62.9 | Low | 204 Ų | 204 | 83.5 Ų | 83.5 | 100% | 1.005 | 45% | 0.449 | S | S | * | . | 0 | 140.5 | 0 | -78.3 | 167.7 | 171.1 | 0 | 0 | 107 | S25 | M1-S25 VanDerWaalsContact O-CB 3.24Å; M1-S25 WeakPolarHBondContact O-CB 3.44Å; M1-S25 PolarHBondContact O-N 2.84Å; M1-S25 PolarHBondContact O-OG 3.34Å | |||
| 2 | S | 67.5 | Low | 62.7 | Low | 94 Ų | 94 | 94.1 Ų | 94.1 | 66% | 0.657 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 138.4 | 175.7 | -56.1 | 0 | 0 | 0 | 0 | 108.8 | G23 | S2-G23 WeakPolarHBondContact CA-O 3.29Å; S2-G23 WeakPolarHBondContact CB-O 3.43Å |
| 3 | E | 63.3 | Low | 62.3 | Low | 81 Ų | 81 | 89.2 Ų | 89.2 | 38% | 0.379 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134.8 | 172.2 | -71.3 | -173.3 | 160.5 | 0 | 0 | 108.7 | G23 I29 | E3-G23 PolarHBondContact N-O 2.87Å; E3-G23 PolarHBondContact O-N 3.38Å; E3-G23 VanDerWaalsContact O-O 3.09Å; E3-I29 HydrophobicContact CB-CD1 4.43Å; E3-I29 VanDerWaalsContact OE2-CD1 3.25Å; E3-I29 WeakPolarHBondContact OE2-CD1 3.46Å |
| 4 | V | 67.4 | Low | 62.2 | Low | 94 Ų | 94 | 88.9 Ų | 88.9 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.8 | -178 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | T20 | V4-T20 HydrophobicContact CG1-CG2 4.17Å |
| 5 | C | 62.1 | Low | 62.5 | Low | 22 Ų | 22 | 87.3 Ų | 87.3 | 15% | 0.149 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.2 | 170.3 | -67 | 0 | 0 | 0 | 0 | 108.6 | F7 V21 I29 | C5-F7 HydrophobicContact CB-CE2 4.1Å; C5-V21 PolarHBondContact N-O 3.15Å; C5-V21 PolarHBondContact O-N 3.23Å; C5-I29 VanDerWaalsContact SG-CG2 3.53Å |
| 6 | Q | 65 | Low | 62.9 | Low | 104 Ų | 104 | 85.9 Ų | 85.9 | 49% | 0.486 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.5 | 178.1 | -167.7 | 176.8 | -1.1 | 0 | 0 | 109.8 | H8 | Q6-H8 PolarHBondContact NE2-NE2 2.69Å |
| 7 | F | 62.3 | Low | 63.4 | Low | 37 Ų | 37 | 83.1 Ų | 83.1 | 16% | 0.162 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122 | 172.2 | -60.8 | -87.4 | 0 | 0 | 0 | 108.7 | C5 L19 V21 I32 I33 E36 | C5-F7 HydrophobicContact CB-CE2 4.1Å; F7-L19 HydrophobicContact CB-CB 4.41Å; F7-L19 PolarHBondContact N-O 2.89Å; F7-L19 PolarHBondContact O-N 3.24Å; F7-L19 VanDerWaalsContact O-O 3.08Å; F7-V21 HydrophobicContact CD2-CG2 4.18Å; F7-V21 HydrophobicContact CE2-CG2 4.15Å; F7-I32 HydrophobicContact CE2-CG2 3.46Å; F7-I32 VanDerWaalsContact CE2-CG2 3.46Å; F7-I32 HydrophobicContact CZ-CG2 3.83Å; F7-I33 HydrophobicContact CE1-CB 4.26Å; F7-I33 HydrophobicContact CE1-CG1 3.82Å; F7-I33 HydrophobicContact CZ-CB 4.24Å; F7-I33 HydrophobicContact CZ-CG1 3.63Å; F7-E36 HydrophobicContact CD1-CB 4.19Å; F7-E36 HydrophobicContact CD1-CG 3.86Å; F7-E36 HydrophobicContact CE1-CB 4.22Å; F7-E36 HydrophobicContact CE1-CG 4.37Å; F7-E36 HydrophobicContact CG-CG 4.45Å |
| 8 | H | 63.5 | Low | 64.1 | Low | 123 Ų | 123 | 85.2 Ų | 85.2 | 57% | 0.569 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 113.2 | 176.5 | -75 | -130.5 | 0 | 0 | 0 | 108.1 | Q6 F18 | Q6-H8 PolarHBondContact NE2-NE2 2.69Å; H8-F18 AromaticContact ND1-CD1 3.98Å; H8-F18 AromaticContact ND1-CE1 3.77Å |
| 9 | F | 59.3 | Low | 64.7 | Low | 18 Ų | 18 | 83.3 Ų | 83.3 | 8% | 0.079 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 99.8 | 179.4 | -173.5 | -107 | 0 | 0 | 0 | 111.3 | C11 L17 R40 L43 N44 | F9-C11 HydrophobicContact CD1-CB 4.28Å; F9-C11 HydrophobicContact CE1-CB 3.67Å; F9-C11 HydrophobicContact CZ-CB 4.34Å; F9-C11 PolarHBondContact O-N 3.06Å; F9-L17 CarbonylContact C-O 3.57Å; F9-L17 WeakPolarHBondContact CA-O 3.34Å; F9-L17 WeakPolarHBondContact CB-O 3.17Å; F9-L17 HydrophobicContact CD1-CB 4.35Å; F9-L17 PolarHBondContact N-O 3.47Å; F9-L17 PolarHBondContact O-N 2.72Å; F9-R40 HydrophobicContact CD2-CG 4.1Å; F9-R40 HydrophobicContact CE2-CG 3.33Å; F9-R40 HydrophobicContact CZ-CG 3.9Å; F9-L43 HydrophobicContact CB-CD1 3.93Å; F9-L43 HydrophobicContact CD1-CB 3.52Å; F9-L43 HydrophobicContact CD1-CD1 4.12Å; F9-L43 HydrophobicContact CD1-CG 4.44Å; F9-L43 HydrophobicContact CD2-CD1 4.31Å; F9-L43 HydrophobicContact CE1-CB 3.61Å; F9-L43 HydrophobicContact CG-CB 4.06Å; F9-L43 HydrophobicContact CG-CD1 3.82Å; F9-L43 HydrophobicContact CZ-CB 4.29Å; F9-N44 HydrophobicContact CZ-CB 4.46Å; F9-N44 WeakPolarHBondContact CZ-OD1 3.34Å |
| 10 | T | 62 | Low | 65.6 | Low | 118 Ų | 118 | 82.8 Ų | 82.8 | 72% | 0.724 | 45% | 0.452 | S | S | * | . | trans | -87.9 | 97.6 | 172.8 | 49.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 11 | C | 58.8 | Low | 66.3 | Low | 24 Ų | 24 | 80.7 Ų | 80.7 | 16% | 0.162 | 44% | 0.442 | C | S | . | . | trans | -78.4 | 150 | 162.9 | -166.8 | 0 | 0 | 0 | 0 | 108.8 | F9 S13 N44 A47 | F9-C11 HydrophobicContact CD1-CB 4.28Å; F9-C11 HydrophobicContact CE1-CB 3.67Å; F9-C11 HydrophobicContact CZ-CB 4.34Å; F9-C11 PolarHBondContact O-N 3.06Å; C11-S13 PolarHBondContact O-N 3.34Å; C11-N44 PolarHBondContact SG-OD1 3.41Å; C11-A47 HydrophobicContact CB-CB 3.56Å | ||
| 12 | Q | 60.3 | Low | 67.4 | Low | 210 Ų | 210 | 75.8 Ų | 75.8 | 98% | 0.981 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -65.2 | -2.1 | 171.7 | -69.5 | 179.8 | -8.2 | 0 | 0 | 113.3 | ||
| 13 | S | 57.8 | Low | 67.9 | Low | 30 Ų | 30 | 72 Ų | 72 | 21% | 0.21 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -65.7 | 146.9 | 169.3 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | C11 L15 A47 | C11-S13 PolarHBondContact O-N 3.34Å; S13-L15 PolarHBondContact O-N 2.89Å; S13-A47 PolarHBondContact OG-O 3.02Å |
| 14 | A | 60.8 | Low | 68.9 | Low | 86 Ų | 86 | 71.3 Ų | 71.3 | 71% | 0.711 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -57.2 | -9.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 15 | L | 66.1 | Low | 69.5 | Low | 65 Ų | 65 | 70 Ų | 70 | 34% | 0.34 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -127.9 | 122.2 | 178.9 | -71.2 | 162.2 | 0 | 0 | 0 | 110 | S13 I54 | S13-L15 PolarHBondContact O-N 2.89Å; L15-I54 HydrophobicContact CD1-CB 4.16Å; L15-I54 HydrophobicContact CD1-CD1 3.76Å; L15-I54 HydrophobicContact CD1-CG2 4.08Å |
| 16 | P | 68.9 | Low | 70.4 | Confident | 65 Ų | 65 | 77.3 Ų | 77.3 | 42% | 0.422 | 43% | 0.43 | S | S | . | . | trans | -66.8 | 137.8 | 174.9 | 27.4 | -32.7 | 0 | 0 | 0 | 110.3 | F18 | P16-F18 HydrophobicContact CB-CE2 3.95Å; P16-F18 HydrophobicContact CB-CZ 3.87Å; P16-F18 HydrophobicContact CG-CE2 3.76Å; P16-F18 HydrophobicContact CG-CZ 3.82Å | ||
| 17 | L | 72.3 | Confident | 71.2 | Confident | 37 Ų | 37 | 74.4 Ų | 74.4 | 19% | 0.194 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135.6 | 170.4 | -69.3 | -174.9 | 0 | 0 | 0 | 109.2 | F9 L43 L46 A47 A50 | F9-L17 CarbonylContact C-O 3.57Å; F9-L17 WeakPolarHBondContact CA-O 3.34Å; F9-L17 WeakPolarHBondContact CB-O 3.17Å; F9-L17 HydrophobicContact CD1-CB 4.35Å; F9-L17 PolarHBondContact N-O 3.47Å; F9-L17 PolarHBondContact O-N 2.72Å; L17-L43 WeakPolarHBondContact CD1-O 3.04Å; L17-L46 HydrophobicContact CD1-CB 4.14Å; L17-A47 HydrophobicContact CD1-CB 3.71Å; L17-A47 HydrophobicContact CG-CB 4.05Å; L17-A50 HydrophobicContact CD2-CB 4.26Å |
| 18 | F | 75.1 | Confident | 72.3 | Confident | 122 Ų | 122 | 77.8 Ų | 77.8 | 54% | 0.535 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129 | 176.5 | -58.2 | -86 | 0 | 0 | 0 | 108.8 | H8 P16 | H8-F18 AromaticContact ND1-CD1 3.98Å; H8-F18 AromaticContact ND1-CE1 3.77Å; P16-F18 HydrophobicContact CB-CE2 3.95Å; P16-F18 HydrophobicContact CB-CZ 3.87Å; P16-F18 HydrophobicContact CG-CE2 3.76Å; P16-F18 HydrophobicContact CG-CZ 3.82Å |
| 19 | L | 77.1 | Confident | 73.2 | Confident | 48 Ų | 48 | 74.7 Ų | 74.7 | 25% | 0.251 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 111.7 | 172.9 | 178.3 | 68.7 | 0 | 0 | 0 | 108.7 | F7 V21 I39 L43 | F7-L19 HydrophobicContact CB-CB 4.41Å; F7-L19 PolarHBondContact N-O 2.89Å; F7-L19 PolarHBondContact O-N 3.24Å; F7-L19 VanDerWaalsContact O-O 3.08Å; L19-V21 HydrophobicContact CG-CG2 4.33Å; L19-I39 HydrophobicContact CD2-CD1 3.17Å; L19-I39 HydrophobicContact CD2-CG1 4.44Å; L19-L43 HydrophobicContact CB-CD1 4.47Å; L19-L43 HydrophobicContact CD2-CD1 4.38Å |
| 20 | T | 81.7 | Confident | 74.5 | Confident | 73 Ų | 73 | 75.9 Ų | 75.9 | 45% | 0.448 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.2 | 175.9 | -54.7 | 0 | 0 | 0 | 0 | 109 | V4 V22 | V4-T20 HydrophobicContact CG1-CG2 4.17Å; T20-V22 HydrophobicContact CG2-CG2 4.1Å |
| 21 | V | 80.3 | Confident | 75.7 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 24% | 0.242 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 119.1 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | C5 F7 L19 I32 | C5-V21 PolarHBondContact N-O 3.15Å; C5-V21 PolarHBondContact O-N 3.23Å; F7-V21 HydrophobicContact CD2-CG2 4.18Å; F7-V21 HydrophobicContact CE2-CG2 4.15Å; L19-V21 HydrophobicContact CG-CG2 4.33Å; V21-I32 HydrophobicContact CB-CG2 4.02Å; V21-I32 HydrophobicContact CG1-CD1 3.66Å; V21-I32 HydrophobicContact CG1-CG1 4.28Å; V21-I32 HydrophobicContact CG1-CG2 3.88Å; V21-I32 HydrophobicContact CG2-CG2 3.82Å |
| 22 | V | 83.2 | Confident | 76.9 | Confident | 101 Ų | 101 | 72.6 Ų | 72.6 | 61% | 0.612 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 118.3 | 177.8 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | T20 | T20-V22 HydrophobicContact CG2-CG2 4.1Å |
| 23 | G | 78.8 | Confident | 78 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 16% | 0.155 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 166.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2 E3 | S2-G23 WeakPolarHBondContact CA-O 3.29Å; S2-G23 WeakPolarHBondContact CB-O 3.43Å; E3-G23 PolarHBondContact N-O 2.87Å; E3-G23 PolarHBondContact O-N 3.38Å; E3-G23 VanDerWaalsContact O-O 3.09Å |
| 24 | S | 83.4 | Confident | 79.4 | Confident | 66 Ų | 66 | 68.8 Ų | 68.8 | 46% | 0.462 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 169.2 | 163.4 | 64.5 | 0 | 0 | 0 | 0 | 110.3 | E26 C27 | S24-E26 PolarHBondContact O-N 3.32Å; S24-E26 VanDerWaalsContact O-N 3.07Å; S24-E26 PolarHBondContact OG-N 3.47Å; S24-C27 WeakPolarHBondContact O-CB 3.28Å; S24-C27 PolarHBondContact O-N 2.82Å |
| 25 | S | 79.9 | Confident | 80.6 | Confident | 65 Ų | 65 | 69.3 Ų | 69.3 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -6.9 | 171.5 | 51 | 0 | 0 | 0 | 0 | 114.9 | M1 | M1-S25 VanDerWaalsContact O-CB 3.24Å; M1-S25 WeakPolarHBondContact O-CB 3.44Å; M1-S25 PolarHBondContact O-N 2.84Å; M1-S25 PolarHBondContact O-OG 3.34Å |
| 26 | E | 82.2 | Confident | 81.4 | Confident | 177 Ų | 177 | 68 Ų | 68 | 83% | 0.827 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 4.2 | 176 | -61.3 | 178.7 | 175.4 | 0 | 0 | 111.8 | S24 N28 | S24-E26 PolarHBondContact O-N 3.32Å; S24-E26 VanDerWaalsContact O-N 3.07Å; S24-E26 PolarHBondContact OG-N 3.47Å; E26-N28 PolarHBondContact O-N 2.85Å |
| 27 | C | 82 | Confident | 82.2 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 28% | 0.284 | 41% | 0.407 | S | S | . | . | trans | -71 | 132.8 | -174.8 | -159.3 | 0 | 0 | 0 | 0 | 111.1 | S24 I29 I32 | S24-C27 WeakPolarHBondContact O-CB 3.28Å; S24-C27 PolarHBondContact O-N 2.82Å; C27-I29 VanDerWaalsContact C-N 3.33Å; C27-I29 PolarHBondContact O-N 2.83Å; C27-I32 WeakPolarHBondContact SG-CD1 3.5Å | ||
| 28 | N | 85.5 | Confident | 83 | Confident | 108 Ų | 108 | 71.1 Ų | 71.1 | 58% | 0.578 | 43% | 0.427 | S | S | * | . | trans | -77 | 87.3 | 174.1 | -172.3 | -22.6 | 0 | 0 | 0 | 109.9 | E26 G30 A31 I32 | E26-N28 PolarHBondContact O-N 2.85Å; N28-G30 PolarHBondContact O-N 3.32Å; N28-G30 PolarHBondContact OD1-N 3.45Å; N28-G30 VanDerWaalsContact OD1-N 3.16Å; N28-A31 HydrophobicContact CB-CB 3.92Å; N28-A31 WeakPolarHBondContact O-CB 3.48Å; N28-A31 PolarHBondContact O-N 3.27Å; N28-A31 PolarHBondContact OD1-N 3.21Å; N28-I32 PolarHBondContact O-N 3.45Å; N28-I32 VanDerWaalsContact O-N 3.12Å | ||
| 29 | I | 82.7 | Confident | 83.6 | Confident | 59 Ų | 59 | 67.6 Ų | 67.6 | 30% | 0.303 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -52.6 | -40.8 | 176.9 | -65.6 | 178.6 | 0 | 0 | 0 | 111.1 | E3 C5 C27 A31 I32 I33 | E3-I29 HydrophobicContact CB-CD1 4.43Å; E3-I29 VanDerWaalsContact OE2-CD1 3.25Å; E3-I29 WeakPolarHBondContact OE2-CD1 3.46Å; C5-I29 VanDerWaalsContact SG-CG2 3.53Å; C27-I29 VanDerWaalsContact C-N 3.33Å; C27-I29 PolarHBondContact O-N 2.83Å; I29-A31 VanDerWaalsContact C-N 3.33Å; I29-A31 PolarHBondContact O-N 3.23Å; I29-I32 PolarHBondContact O-N 3.32Å; I29-I32 VanDerWaalsContact O-N 3.17Å; I29-I33 HydrophobicContact CG2-CD1 3.68Å; I29-I33 HydrophobicContact CG2-CG1 4.22Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 3.37Å |
| 30 | G | 85.3 | Confident | 83.9 | Confident | 43 Ų | 43 | 70.9 Ų | 70.9 | 44% | 0.443 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N28 I33 A34 | N28-G30 PolarHBondContact O-N 3.32Å; N28-G30 PolarHBondContact OD1-N 3.45Å; N28-G30 VanDerWaalsContact OD1-N 3.16Å; G30-I33 PolarHBondContact O-N 2.9Å; G30-A34 WeakPolarHBondContact O-CB 3.34Å; G30-A34 PolarHBondContact O-N 2.93Å |
| 31 | A | 87.2 | Confident | 84.2 | Confident | 46 Ų | 46 | 70.9 Ų | 70.9 | 38% | 0.38 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N28 I29 A34 L35 | N28-A31 HydrophobicContact CB-CB 3.92Å; N28-A31 WeakPolarHBondContact O-CB 3.48Å; N28-A31 PolarHBondContact O-N 3.27Å; N28-A31 PolarHBondContact OD1-N 3.21Å; I29-A31 VanDerWaalsContact C-N 3.33Å; I29-A31 PolarHBondContact O-N 3.23Å; A31-A34 PolarHBondContact O-N 3.23Å; A31-L35 WeakPolarHBondContact O-CG 3.3Å; A31-L35 PolarHBondContact O-N 2.87Å; A31-L35 VanDerWaalsContact O-N 3.11Å |
| 32 | I | 84.5 | Confident | 84.5 | Confident | 26 Ų | 26 | 73.7 Ų | 73.7 | 13% | 0.133 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 175.2 | -60.9 | 167.1 | 0 | 0 | 0 | 110.6 | F7 V21 C27 N28 I29 A34 L35 | F7-I32 HydrophobicContact CE2-CG2 3.46Å; F7-I32 VanDerWaalsContact CE2-CG2 3.46Å; F7-I32 HydrophobicContact CZ-CG2 3.83Å; V21-I32 HydrophobicContact CB-CG2 4.02Å; V21-I32 HydrophobicContact CG1-CD1 3.66Å; V21-I32 HydrophobicContact CG1-CG1 4.28Å; V21-I32 HydrophobicContact CG1-CG2 3.88Å; V21-I32 HydrophobicContact CG2-CG2 3.82Å; C27-I32 WeakPolarHBondContact SG-CD1 3.5Å; N28-I32 PolarHBondContact O-N 3.45Å; N28-I32 VanDerWaalsContact O-N 3.12Å; I29-I32 PolarHBondContact O-N 3.32Å; I29-I32 VanDerWaalsContact O-N 3.17Å; I32-A34 VanDerWaalsContact C-N 3.27Å; I32-A34 PolarHBondContact O-N 3.46Å; I32-L35 WeakPolarHBondContact O-CB 3.44Å; I32-L35 PolarHBondContact O-N 2.91Å; I32-L35 VanDerWaalsContact O-N 3.07Å |
| 33 | I | 83.4 | Confident | 84.6 | Confident | 91 Ų | 91 | 70 Ų | 70 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 176.7 | -66 | 168.4 | 0 | 0 | 0 | 110.2 | F7 I29 G30 L35 E36 | F7-I33 HydrophobicContact CE1-CB 4.26Å; F7-I33 HydrophobicContact CE1-CG1 3.82Å; F7-I33 HydrophobicContact CZ-CB 4.24Å; F7-I33 HydrophobicContact CZ-CG1 3.63Å; I29-I33 HydrophobicContact CG2-CD1 3.68Å; I29-I33 HydrophobicContact CG2-CG1 4.22Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 3.37Å; G30-I33 PolarHBondContact O-N 2.9Å; I33-L35 PolarHBondContact O-N 2.92Å; I33-E36 VanDerWaalsContact O-CB 3.24Å; I33-E36 WeakPolarHBondContact O-CB 3.36Å; I33-E36 PolarHBondContact O-N 3.37Å; I33-E36 VanDerWaalsContact O-N 3.08Å |
| 34 | A | 87.5 | Confident | 84.8 | Confident | 69 Ų | 69 | 72.6 Ų | 72.6 | 57% | 0.57 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.3 | -21.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G30 A31 I32 P37 | G30-A34 WeakPolarHBondContact O-CB 3.34Å; G30-A34 PolarHBondContact O-N 2.93Å; A31-A34 PolarHBondContact O-N 3.23Å; I32-A34 VanDerWaalsContact C-N 3.27Å; I32-A34 PolarHBondContact O-N 3.46Å; A34-P37 WeakPolarHBondContact O-CD 3.33Å |
| 35 | L | 86 | Confident | 84.8 | Confident | 98 Ų | 98 | 78.5 Ų | 78.5 | 51% | 0.513 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -76 | -22.7 | 173.6 | -71.4 | 169.9 | 0 | 0 | 0 | 112.8 | A31 I32 I33 S38 I39 | A31-L35 WeakPolarHBondContact O-CG 3.3Å; A31-L35 PolarHBondContact O-N 2.87Å; A31-L35 VanDerWaalsContact O-N 3.11Å; I32-L35 WeakPolarHBondContact O-CB 3.44Å; I32-L35 PolarHBondContact O-N 2.91Å; I32-L35 VanDerWaalsContact O-N 3.07Å; I33-L35 PolarHBondContact O-N 2.92Å; L35-S38 WeakPolarHBondContact O-CB 3.39Å; L35-S38 PolarHBondContact O-N 3.2Å; L35-I39 WeakPolarHBondContact O-CG1 3.34Å; L35-I39 PolarHBondContact O-N 3.42Å; L35-I39 VanDerWaalsContact O-N 3.09Å |
| 36 | E | 82.9 | Confident | 85 | Confident | 36 Ų | 36 | 79.4 Ų | 79.4 | 17% | 0.168 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -52.7 | -47.6 | -174.2 | -171.2 | -76.6 | 141.6 | 0 | 0 | 113.3 | F7 I33 S38 I39 R40 | F7-E36 HydrophobicContact CD1-CB 4.19Å; F7-E36 HydrophobicContact CD1-CG 3.86Å; F7-E36 HydrophobicContact CE1-CB 4.22Å; F7-E36 HydrophobicContact CE1-CG 4.37Å; F7-E36 HydrophobicContact CG-CG 4.45Å; I33-E36 VanDerWaalsContact O-CB 3.24Å; I33-E36 WeakPolarHBondContact O-CB 3.36Å; I33-E36 PolarHBondContact O-N 3.37Å; I33-E36 VanDerWaalsContact O-N 3.08Å; E36-S38 VanDerWaalsContact C-N 3.26Å; E36-S38 PolarHBondContact O-N 2.88Å; E36-I39 VanDerWaalsContact O-CG1 3.24Å; E36-I39 WeakPolarHBondContact O-CG1 3.4Å; E36-I39 PolarHBondContact O-N 3.34Å; E36-R40 WeakPolarHBondContact O-CB 3.44Å; E36-R40 PolarHBondContact O-N 3.03Å; E36-R40 IonicContact OE1-CZ 3.15Å; E36-R40 IonicContact OE1-NE 2.73Å; E36-R40 PolarHBondContact OE1-NE 2.79Å; E36-R40 IonicContact OE1-NH2 2.79Å; E36-R40 PolarHBondContact OE1-NH2 3.3Å; E36-R40 IonicContact OE2-CZ 3.57Å; E36-R40 IonicContact OE2-NE 3.71Å; E36-R40 IonicContact OE2-NH2 2.74Å; E36-R40 PolarHBondContact OE2-NH2 3.45Å |
| 37 | P | 85.7 | Confident | 85 | Confident | 80 Ų | 80 | 71 Ų | 71 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.3 | -31.2 | 177.8 | -23.1 | 35 | 0 | 0 | 0 | 113.6 | A34 P41 | A34-P37 WeakPolarHBondContact O-CD 3.33Å; P37-P41 WeakPolarHBondContact O-CD 3.42Å |
| 38 | S | 89 | Confident | 85 | Confident | 88 Ų | 88 | 72.2 Ų | 72.2 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -77.5 | -33.1 | -177.4 | -61 | 0 | 0 | 0 | 0 | 112.4 | L35 E36 P41 | L35-S38 WeakPolarHBondContact O-CB 3.39Å; L35-S38 PolarHBondContact O-N 3.2Å; E36-S38 VanDerWaalsContact C-N 3.26Å; E36-S38 PolarHBondContact O-N 2.88Å; S38-P41 WeakPolarHBondContact O-CD 3.29Å |
| 39 | I | 87.1 | Confident | 84.9 | Confident | 48 Ų | 48 | 72.6 Ų | 72.6 | 25% | 0.246 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -87.1 | -19.9 | 178.4 | 64.6 | -177.5 | 0 | 0 | 0 | 112.5 | L19 L35 E36 P41 L42 L43 | L19-I39 HydrophobicContact CD2-CD1 3.17Å; L19-I39 HydrophobicContact CD2-CG1 4.44Å; L35-I39 WeakPolarHBondContact O-CG1 3.34Å; L35-I39 PolarHBondContact O-N 3.42Å; L35-I39 VanDerWaalsContact O-N 3.09Å; E36-I39 VanDerWaalsContact O-CG1 3.24Å; E36-I39 WeakPolarHBondContact O-CG1 3.4Å; E36-I39 PolarHBondContact O-N 3.34Å; I39-P41 VanDerWaalsContact C-CD 3.45Å; I39-P41 VanDerWaalsContact C-N 3.35Å; I39-L42 WeakPolarHBondContact O-CA 3.49Å; I39-L42 VanDerWaalsContact O-CB 3.32Å; I39-L42 WeakPolarHBondContact O-CB 3.26Å; I39-L42 PolarHBondContact O-N 3.32Å; I39-L43 HydrophobicContact CG1-CD1 4.44Å; I39-L43 PolarHBondContact O-N 2.9Å |
| 40 | R | 84.2 | Confident | 84.8 | Confident | 117 Ų | 117 | 71.3 Ų | 71.3 | 44% | 0.442 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -50.6 | -43.6 | 179.9 | -165.2 | 179.8 | -73.4 | -167.9 | 0 | 114.1 | F9 E36 L42 L43 N44 | F9-R40 HydrophobicContact CD2-CG 4.1Å; F9-R40 HydrophobicContact CE2-CG 3.33Å; F9-R40 HydrophobicContact CZ-CG 3.9Å; E36-R40 WeakPolarHBondContact O-CB 3.44Å; E36-R40 PolarHBondContact O-N 3.03Å; E36-R40 IonicContact OE1-CZ 3.15Å; E36-R40 IonicContact OE1-NE 2.73Å; E36-R40 PolarHBondContact OE1-NE 2.79Å; E36-R40 IonicContact OE1-NH2 2.79Å; E36-R40 PolarHBondContact OE1-NH2 3.3Å; E36-R40 IonicContact OE2-CZ 3.57Å; E36-R40 IonicContact OE2-NE 3.71Å; E36-R40 IonicContact OE2-NH2 2.74Å; E36-R40 PolarHBondContact OE2-NH2 3.45Å; R40-L42 VanDerWaalsContact C-N 3.31Å; R40-L42 PolarHBondContact O-N 3.02Å; R40-L43 PolarHBondContact O-N 2.82Å; R40-N44 PolarHBondContact O-N 2.93Å; R40-N44 PolarHBondContact O-ND2 2.93Å |
| 41 | P | 87.7 | Confident | 84.6 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.3 | -34.3 | 175.6 | -22.2 | 34.7 | 0 | 0 | 0 | 113.3 | P37 S38 I39 R45 | P37-P41 WeakPolarHBondContact O-CD 3.42Å; S38-P41 WeakPolarHBondContact O-CD 3.29Å; I39-P41 VanDerWaalsContact C-CD 3.45Å; I39-P41 VanDerWaalsContact C-N 3.35Å; P41-R45 WeakPolarHBondContact O-CG 3.37Å; P41-R45 PolarHBondContact O-N 3.28Å; P41-R45 VanDerWaalsContact O-N 3.15Å |
| 42 | L | 86.6 | Confident | 84.4 | Confident | 98 Ų | 98 | 70 Ų | 70 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68 | -45.6 | 175.9 | -62.2 | 172.7 | 0 | 0 | 0 | 110.4 | I39 R40 N44 R45 L46 | I39-L42 WeakPolarHBondContact O-CA 3.49Å; I39-L42 VanDerWaalsContact O-CB 3.32Å; I39-L42 WeakPolarHBondContact O-CB 3.26Å; I39-L42 PolarHBondContact O-N 3.32Å; R40-L42 VanDerWaalsContact C-N 3.31Å; R40-L42 PolarHBondContact O-N 3.02Å; L42-N44 VanDerWaalsContact C-N 3.31Å; L42-N44 PolarHBondContact O-N 3.11Å; L42-R45 PolarHBondContact O-N 3.41Å; L42-R45 VanDerWaalsContact O-N 3.11Å; L42-L46 WeakPolarHBondContact O-CG 3.01Å; L42-L46 PolarHBondContact O-N 3.39Å |
| 43 | L | 84.4 | Confident | 84.2 | Confident | 25 Ų | 25 | 75.8 Ų | 75.8 | 13% | 0.131 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 176.1 | -62.9 | 177.2 | 0 | 0 | 0 | 111.8 | F9 L17 L19 I39 R40 R45 L46 A47 | F9-L43 HydrophobicContact CB-CD1 3.93Å; F9-L43 HydrophobicContact CD1-CB 3.52Å; F9-L43 HydrophobicContact CD1-CD1 4.12Å; F9-L43 HydrophobicContact CD1-CG 4.44Å; F9-L43 HydrophobicContact CD2-CD1 4.31Å; F9-L43 HydrophobicContact CE1-CB 3.61Å; F9-L43 HydrophobicContact CG-CB 4.06Å; F9-L43 HydrophobicContact CG-CD1 3.82Å; F9-L43 HydrophobicContact CZ-CB 4.29Å; L17-L43 WeakPolarHBondContact CD1-O 3.04Å; L19-L43 HydrophobicContact CB-CD1 4.47Å; L19-L43 HydrophobicContact CD2-CD1 4.38Å; I39-L43 HydrophobicContact CG1-CD1 4.44Å; I39-L43 PolarHBondContact O-N 2.9Å; R40-L43 PolarHBondContact O-N 2.82Å; L43-R45 VanDerWaalsContact C-N 3.3Å; L43-R45 PolarHBondContact O-N 3.15Å; L43-L46 PolarHBondContact O-N 3.16Å; L43-A47 WeakPolarHBondContact O-CB 3.31Å; L43-A47 PolarHBondContact O-N 2.94Å |
| 44 | N | 83.4 | Confident | 84.1 | Confident | 69 Ų | 69 | 75.5 Ų | 75.5 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.7 | -34 | 173.9 | -90.2 | -39.8 | 0 | 0 | 0 | 113.6 | F9 C11 R40 L42 P48 | F9-N44 HydrophobicContact CZ-CB 4.46Å; F9-N44 WeakPolarHBondContact CZ-OD1 3.34Å; C11-N44 PolarHBondContact SG-OD1 3.41Å; R40-N44 PolarHBondContact O-N 2.93Å; R40-N44 PolarHBondContact O-ND2 2.93Å; L42-N44 VanDerWaalsContact C-N 3.31Å; L42-N44 PolarHBondContact O-N 3.11Å; N44-P48 WeakPolarHBondContact O-CD 3.32Å |
| 45 | R | 84.3 | Confident | 83.7 | Confident | 189 Ų | 189 | 77.3 Ų | 77.3 | 71% | 0.713 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -76.6 | -36.7 | 175.7 | -71.4 | 175.8 | 65.7 | -176.7 | 0.5 | 112.1 | P41 L42 L43 P48 | P41-R45 WeakPolarHBondContact O-CG 3.37Å; P41-R45 PolarHBondContact O-N 3.28Å; P41-R45 VanDerWaalsContact O-N 3.15Å; L42-R45 PolarHBondContact O-N 3.41Å; L42-R45 VanDerWaalsContact O-N 3.11Å; L43-R45 VanDerWaalsContact C-N 3.3Å; L43-R45 PolarHBondContact O-N 3.15Å; R45-P48 VanDerWaalsContact O-CD 3.31Å; R45-P48 WeakPolarHBondContact O-CD 3.26Å; R45-P48 WeakPolarHBondContact O-CG 3.25Å |
| 46 | L | 83.8 | Confident | 83.5 | Confident | 85 Ų | 85 | 76.6 Ų | 76.6 | 45% | 0.445 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.4 | -33 | 178.7 | -71.1 | 170.2 | 0 | 0 | 0 | 112.5 | L17 L42 L43 E49 A50 | L17-L46 HydrophobicContact CD1-CB 4.14Å; L42-L46 WeakPolarHBondContact O-CG 3.01Å; L42-L46 PolarHBondContact O-N 3.39Å; L43-L46 PolarHBondContact O-N 3.16Å; L46-E49 PolarHBondContact O-N 3.37Å; L46-A50 VanDerWaalsContact O-CB 3.3Å; L46-A50 WeakPolarHBondContact O-CB 3.34Å; L46-A50 PolarHBondContact O-N 3.33Å |
| 47 | A | 81.5 | Confident | 83.2 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.008 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.2 | -48.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | C11 S13 L17 L43 S51 | C11-A47 HydrophobicContact CB-CB 3.56Å; S13-A47 PolarHBondContact OG-O 3.02Å; L17-A47 HydrophobicContact CD1-CB 3.71Å; L17-A47 HydrophobicContact CG-CB 4.05Å; L43-A47 WeakPolarHBondContact O-CB 3.31Å; L43-A47 PolarHBondContact O-N 2.94Å; A47-S51 VanDerWaalsContact O-CB 3.25Å; A47-S51 WeakPolarHBondContact O-CB 3.3Å; A47-S51 PolarHBondContact O-N 3.17Å |
| 48 | P | 82.3 | Confident | 82.7 | Confident | 67 Ų | 67 | 78 Ų | 78 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.9 | -34.6 | 175.1 | 26.7 | -34.7 | 0 | 0 | 0 | 112.6 | N44 R45 S51 S52 | N44-P48 WeakPolarHBondContact O-CD 3.32Å; R45-P48 VanDerWaalsContact O-CD 3.31Å; R45-P48 WeakPolarHBondContact O-CD 3.26Å; R45-P48 WeakPolarHBondContact O-CG 3.25Å; P48-S51 PolarHBondContact O-N 3.22Å; P48-S52 WeakPolarHBondContact O-CB 3.45Å; P48-S52 PolarHBondContact O-N 3.03Å |
| 49 | E | 83.6 | Confident | 81.9 | Confident | 116 Ų | 116 | 79.6 Ų | 79.6 | 54% | 0.542 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.3 | -48.6 | 177.4 | -172.2 | -176.9 | 164.5 | 0 | 0 | 111.3 | L46 S51 S52 R53 | L46-E49 PolarHBondContact O-N 3.37Å; E49-S51 VanDerWaalsContact C-N 3.32Å; E49-S51 PolarHBondContact O-N 3.09Å; E49-S52 PolarHBondContact O-N 3.45Å; E49-R53 WeakPolarHBondContact O-CG 3.19Å; E49-R53 PolarHBondContact O-N 3.06Å |
| 50 | A | 81.2 | Confident | 81.1 | Confident | 31 Ų | 31 | 82.3 Ų | 82.3 | 26% | 0.256 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L17 L46 R53 I54 | L17-A50 HydrophobicContact CD2-CB 4.26Å; L46-A50 VanDerWaalsContact O-CB 3.3Å; L46-A50 WeakPolarHBondContact O-CB 3.34Å; L46-A50 PolarHBondContact O-N 3.33Å; A50-R53 PolarHBondContact O-N 3.27Å; A50-I54 WeakPolarHBondContact O-CB 3.43Å; A50-I54 VanDerWaalsContact O-CG1 3.29Å; A50-I54 WeakPolarHBondContact O-CG1 3.44Å; A50-I54 PolarHBondContact O-N 2.74Å |
| 51 | S | 80.4 | Confident | 80.1 | Confident | 9 Ų | 9 | 81.6 Ų | 81.6 | 6% | 0.063 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 176 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | A47 P48 E49 R53 I54 Q55 | A47-S51 VanDerWaalsContact O-CB 3.25Å; A47-S51 WeakPolarHBondContact O-CB 3.3Å; A47-S51 PolarHBondContact O-N 3.17Å; P48-S51 PolarHBondContact O-N 3.22Å; E49-S51 VanDerWaalsContact C-N 3.32Å; E49-S51 PolarHBondContact O-N 3.09Å; S51-R53 PolarHBondContact O-N 2.97Å; S51-I54 PolarHBondContact O-N 2.79Å; S51-Q55 WeakPolarHBondContact O-CB 3.42Å; S51-Q55 VanDerWaalsContact O-CG 3.26Å; S51-Q55 WeakPolarHBondContact O-CG 3.42Å; S51-Q55 PolarHBondContact O-N 2.73Å |
| 52 | S | 83.3 | Confident | 78.8 | Confident | 54 Ų | 54 | 87.8 Ų | 87.8 | 38% | 0.378 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | P48 E49 Q55 N56 | P48-S52 WeakPolarHBondContact O-CB 3.45Å; P48-S52 PolarHBondContact O-N 3.03Å; E49-S52 PolarHBondContact O-N 3.45Å; S52-Q55 PolarHBondContact O-N 2.84Å; S52-N56 WeakPolarHBondContact O-CB 3.44Å; S52-N56 PolarHBondContact O-N 2.95Å; S52-N56 PolarHBondContact O-ND2 3.28Å |
| 53 | R | 81 | Confident | 77.5 | Confident | 147 Ų | 147 | 88.1 Ų | 88.1 | 56% | 0.555 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 176.8 | -71.2 | -174 | 73.4 | -171.6 | 0.3 | 112.3 | E49 A50 S51 Q55 N56 E57 | E49-R53 WeakPolarHBondContact O-CG 3.19Å; E49-R53 PolarHBondContact O-N 3.06Å; A50-R53 PolarHBondContact O-N 3.27Å; S51-R53 PolarHBondContact O-N 2.97Å; R53-Q55 VanDerWaalsContact C-N 3.32Å; R53-Q55 PolarHBondContact O-N 3.08Å; R53-N56 PolarHBondContact O-N 2.97Å; R53-E57 WeakPolarHBondContact O-CB 3.41Å; R53-E57 WeakPolarHBondContact O-CG 3.44Å; R53-E57 PolarHBondContact O-N 3.12Å |
| 54 | I | 81 | Confident | 76.3 | Confident | 85 Ų | 85 | 91.5 Ų | 91.5 | 44% | 0.436 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 177.1 | -69.6 | 164.2 | 0 | 0 | 0 | 110.8 | L15 A50 S51 E57 A58 | L15-I54 HydrophobicContact CD1-CB 4.16Å; L15-I54 HydrophobicContact CD1-CD1 3.76Å; L15-I54 HydrophobicContact CD1-CG2 4.08Å; A50-I54 WeakPolarHBondContact O-CB 3.43Å; A50-I54 VanDerWaalsContact O-CG1 3.29Å; A50-I54 WeakPolarHBondContact O-CG1 3.44Å; A50-I54 PolarHBondContact O-N 2.74Å; S51-I54 PolarHBondContact O-N 2.79Å; I54-E57 PolarHBondContact O-N 3.17Å; I54-A58 VanDerWaalsContact O-CB 3.26Å; I54-A58 WeakPolarHBondContact O-CB 3.44Å; I54-A58 PolarHBondContact O-N 3.3Å |
| 55 | Q | 79.3 | Confident | 74.9 | Confident | 107 Ų | 107 | 94.3 Ų | 94.3 | 50% | 0.5 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 174.4 | -73.4 | 174.5 | -12 | 0 | 0 | 111.7 | S51 S52 R53 A58 M59 | S51-Q55 WeakPolarHBondContact O-CB 3.42Å; S51-Q55 VanDerWaalsContact O-CG 3.26Å; S51-Q55 WeakPolarHBondContact O-CG 3.42Å; S51-Q55 PolarHBondContact O-N 2.73Å; S52-Q55 PolarHBondContact O-N 2.84Å; R53-Q55 VanDerWaalsContact C-N 3.32Å; R53-Q55 PolarHBondContact O-N 3.08Å; Q55-A58 PolarHBondContact O-N 2.9Å; Q55-M59 WeakPolarHBondContact O-CG 3.24Å; Q55-M59 PolarHBondContact O-N 3.43Å |
| 56 | N | 80.9 | Confident | 73.1 | Confident | 83 Ų | 83 | 86.8 Ų | 86.8 | 44% | 0.444 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.5 | -69.7 | -22.8 | 0 | 0 | 0 | 111.7 | S52 R53 M59 L60 | S52-N56 WeakPolarHBondContact O-CB 3.44Å; S52-N56 PolarHBondContact O-N 2.95Å; S52-N56 PolarHBondContact O-ND2 3.28Å; R53-N56 PolarHBondContact O-N 2.97Å; N56-M59 PolarHBondContact O-N 2.87Å; N56-L60 WeakPolarHBondContact O-CB 3.49Å; N56-L60 VanDerWaalsContact O-CG 3.28Å; N56-L60 WeakPolarHBondContact O-CG 3.24Å; N56-L60 PolarHBondContact O-N 3.26Å |
| 57 | E | 77.2 | Confident | 71.4 | Confident | 98 Ų | 98 | 87.7 Ų | 87.7 | 46% | 0.458 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 175.1 | -74.6 | 175.2 | -174.1 | 0 | 0 | 111.7 | R53 I54 M59 L60 N61 | R53-E57 WeakPolarHBondContact O-CB 3.41Å; R53-E57 WeakPolarHBondContact O-CG 3.44Å; R53-E57 PolarHBondContact O-N 3.12Å; I54-E57 PolarHBondContact O-N 3.17Å; E57-M59 VanDerWaalsContact C-N 3.34Å; E57-L60 PolarHBondContact O-N 2.93Å; E57-N61 WeakPolarHBondContact O-CB 3.27Å; E57-N61 PolarHBondContact O-N 3.05Å; E57-N61 PolarHBondContact O-ND2 3.11Å |
| 58 | A | 75.3 | Confident | 69.8 | Low | 46 Ų | 46 | 97.5 Ų | 97.5 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | I54 Q55 R62 | I54-A58 VanDerWaalsContact O-CB 3.26Å; I54-A58 WeakPolarHBondContact O-CB 3.44Å; I54-A58 PolarHBondContact O-N 3.3Å; Q55-A58 PolarHBondContact O-N 2.9Å; A58-R62 VanDerWaalsContact O-CG 3.3Å; A58-R62 WeakPolarHBondContact O-CG 3.45Å; A58-R62 PolarHBondContact O-N 3.03Å |
| 59 | M | 72.3 | Confident | 67.9 | Low | 123 Ų | 123 | 103.1 Ų | 103.1 | 61% | 0.606 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.7 | -44.4 | 172.5 | -72.8 | -177.1 | 71 | 0 | 0 | 111.4 | Q55 N56 E57 R62 T63 | Q55-M59 WeakPolarHBondContact O-CG 3.24Å; Q55-M59 PolarHBondContact O-N 3.43Å; N56-M59 PolarHBondContact O-N 2.87Å; E57-M59 VanDerWaalsContact C-N 3.34Å; M59-R62 WeakPolarHBondContact O-CB 3.41Å; M59-R62 PolarHBondContact O-N 3.4Å; M59-T63 WeakPolarHBondContact O-CG2 3.38Å; M59-T63 PolarHBondContact O-N 3.07Å; M59-T63 VanDerWaalsContact O-N 3.15Å; M59-T63 PolarHBondContact O-OG1 3.49Å |
| 60 | L | 69.4 | Low | 66.1 | Low | 104 Ų | 104 | 109 Ų | 109 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 176.9 | -74.5 | 166.1 | 0 | 0 | 0 | 111.3 | N56 E57 R62 T63 T64 | N56-L60 WeakPolarHBondContact O-CB 3.49Å; N56-L60 VanDerWaalsContact O-CG 3.28Å; N56-L60 WeakPolarHBondContact O-CG 3.24Å; N56-L60 PolarHBondContact O-N 3.26Å; E57-L60 PolarHBondContact O-N 2.93Å; L60-R62 PolarHBondContact O-N 3.41Å; L60-T63 WeakPolarHBondContact CA-OG1 3.37Å; L60-T63 CarbonylContact O-C 3.4Å; L60-T63 WeakPolarHBondContact O-CA 3.45Å; L60-T63 PolarHBondContact O-N 3.07Å; L60-T63 PolarHBondContact O-OG1 2.93Å; L60-T64 PolarHBondContact O-N 2.94Å; L60-T64 PolarHBondContact O-OG1 3.41Å |
| 61 | N | 64.1 | Low | 64.3 | Low | 103 Ų | 103 | 117.9 Ų | 117.9 | 55% | 0.551 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.5 | -30.1 | 177.3 | -77.9 | -21.4 | 0 | 0 | 0 | 113.2 | E57 T64 N65 | E57-N61 WeakPolarHBondContact O-CB 3.27Å; E57-N61 PolarHBondContact O-N 3.05Å; E57-N61 PolarHBondContact O-ND2 3.11Å; N61-T64 WeakPolarHBondContact CA-OG1 3.15Å; N61-N65 WeakPolarHBondContact O-CB 3.5Å; N61-N65 PolarHBondContact O-N 3.16Å |
| 62 | R | 59.2 | Low | 63.5 | Low | 203 Ų | 203 | 123.4 Ų | 123.4 | 77% | 0.766 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.6 | -30.7 | 171.8 | -75.6 | 174.8 | -178.6 | 179 | 2 | 112.5 | A58 M59 L60 | A58-R62 VanDerWaalsContact O-CG 3.3Å; A58-R62 WeakPolarHBondContact O-CG 3.45Å; A58-R62 PolarHBondContact O-N 3.03Å; M59-R62 WeakPolarHBondContact O-CB 3.41Å; M59-R62 PolarHBondContact O-N 3.4Å; L60-R62 PolarHBondContact O-N 3.41Å |
| 63 | T | 59.7 | Low | 62.5 | Low | 105 Ų | 105 | 127 Ų | 127 | 64% | 0.644 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -85.8 | -29.3 | 179.7 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | M59 L60 | M59-T63 WeakPolarHBondContact O-CG2 3.38Å; M59-T63 PolarHBondContact O-N 3.07Å; M59-T63 VanDerWaalsContact O-N 3.15Å; M59-T63 PolarHBondContact O-OG1 3.49Å; L60-T63 WeakPolarHBondContact CA-OG1 3.37Å; L60-T63 CarbonylContact O-C 3.4Å; L60-T63 WeakPolarHBondContact O-CA 3.45Å; L60-T63 PolarHBondContact O-N 3.07Å; L60-T63 PolarHBondContact O-OG1 2.93Å |
| 64 | T | 58.3 | Low | 61.5 | Low | 97 Ų | 97 | 125.9 Ų | 125.9 | 60% | 0.595 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -83.1 | -24.2 | 177.4 | 34 | 0 | 0 | 0 | 0 | 113.4 | L60 N61 G66 | L60-T64 PolarHBondContact O-N 2.94Å; L60-T64 PolarHBondContact O-OG1 3.41Å; N61-T64 WeakPolarHBondContact CA-OG1 3.15Å; T64-G66 VanDerWaalsContact C-N 3.25Å; T64-G66 PolarHBondContact O-N 3.05Å |
| 65 | N | 54.2 | Low | 60.3 | Low | 128 Ų | 128 | 128.3 Ų | 128.3 | 68% | 0.684 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 49.6 | 167.5 | -69.1 | -27.1 | 0 | 0 | 0 | 111.3 | N61 | N61-N65 WeakPolarHBondContact O-CB 3.5Å; N61-N65 PolarHBondContact O-N 3.16Å |
| 66 | G | 47.3 | Very low | 59.1 | Low | 31 Ų | 31 | 129.6 Ų | 129.6 | 32% | 0.32 | 66% | 0.657 | S | S | . | * | trans | -47.7 | 154.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T64 Y68 | T64-G66 VanDerWaalsContact C-N 3.25Å; T64-G66 PolarHBondContact O-N 3.05Å; G66-Y68 VanDerWaalsContact C-N 3.3Å; G66-Y68 WeakPolarHBondContact O-CD2 3.44Å; G66-Y68 PolarHBondContact O-N 3.24Å | ||
| 67 | P | 48.5 | Very low | 57.7 | Low | 103 Ų | 103 | 132.7 Ų | 132.7 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | trans | -67.9 | 85.9 | -160.9 | 30.5 | -35.3 | 0 | 0 | 0 | 110.4 | F69 | P67-F69 VanDerWaalsContact C-N 3.32Å; P67-F69 HydrophobicContact CB-CE1 4.36Å; P67-F69 HydrophobicContact CG-CE1 4.47Å; P67-F69 HydrophobicContact CG-CZ 4.29Å; P67-F69 VanDerWaalsContact O-CD2 3.29Å; P67-F69 WeakPolarHBondContact O-CD2 3.33Å; P67-F69 WeakPolarHBondContact O-CE2 3.24Å; P67-F69 WeakPolarHBondContact O-CZ 3.25Å; P67-F69 PolarHBondContact O-N 3.29Å | ||
| 68 | Y | 48.1 | Very low | 56.3 | Low | 208 Ų | 208 | 135.2 Ų | 135.2 | 82% | 0.816 | 69% | 0.686 | S | S | * | * | trans | -76.6 | 95.5 | 164.8 | -75.5 | -78 | 0 | 0 | 0 | 107.3 | G66 R70 | G66-Y68 VanDerWaalsContact C-N 3.3Å; G66-Y68 WeakPolarHBondContact O-CD2 3.44Å; G66-Y68 PolarHBondContact O-N 3.24Å; Y68-R70 PolarHBondContact O-N 3.03Å | ||
| 69 | F | 40.8 | Very low | 54.8 | Low | 184 Ų | 184 | 142.1 Ų | 142.1 | 81% | 0.807 | 71% | 0.71 | S | S | * | * | trans | -44.5 | 123.8 | 158.2 | -23.3 | -89.6 | 0 | 0 | 0 | 109.3 | P67 | P67-F69 VanDerWaalsContact C-N 3.32Å; P67-F69 HydrophobicContact CB-CE1 4.36Å; P67-F69 HydrophobicContact CG-CE1 4.47Å; P67-F69 HydrophobicContact CG-CZ 4.29Å; P67-F69 VanDerWaalsContact O-CD2 3.29Å; P67-F69 WeakPolarHBondContact O-CD2 3.33Å; P67-F69 WeakPolarHBondContact O-CE2 3.24Å; P67-F69 WeakPolarHBondContact O-CZ 3.25Å; P67-F69 PolarHBondContact O-N 3.29Å | ||
| 70 | R | 45.8 | Very low | 53.4 | Low | 241 Ų | 241 | 143.7 Ų | 143.7 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | trans | -131.6 | 126.4 | 154.4 | -114.4 | -177.6 | 177.5 | -172.9 | -0.5 | 106.2 | Y68 | Y68-R70 PolarHBondContact O-N 3.03Š| ||
| 71 | V | 45.3 | Very low | 51.9 | Low | 217 Ų | 217 | 147.3 Ų | 147.3 | 100% | 1.315 | 73% | 0.734 | S | S | * | * | trans | -21.5 | 0 | -174.4 | -154.3 | 0 | 0 | 0 | 0 | 115.6 |
Retrieved 71 of 71 residues in 30.3 ms
(Link to these results)