| 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 | 48.3 | Very low | 83.4 | Confident | 197 Ų | 197 | 100.3 Ų | 100.3 | 97% | 0.97 | 52% | 0.515 | S | S | * | . | 0 | 105.4 | 0 | -165.8 | 168 | 177.7 | 0 | 0 | 108.2 | F3 | M1-F3 HydrophobicContact CB-CD2 4.5Å; M1-F3 HydrophobicContact CB-CE2 3.89Å; M1-F3 HydrophobicContact CB-CZ 4.12Å; M1-F3 HydrophobicContact CE-CD1 4.29Å; M1-F3 HydrophobicContact CE-CE1 3.37Å; M1-F3 HydrophobicContact CE-CZ 3.65Å; M1-F3 HydrophobicContact CG-CD1 4.47Å; M1-F3 HydrophobicContact CG-CD2 4.34Å; M1-F3 HydrophobicContact CG-CE1 3.94Å; M1-F3 HydrophobicContact CG-CE2 3.78Å; M1-F3 HydrophobicContact CG-CZ 3.57Å; M1-F3 WeakPolarHBondContact O-CD2 3.49Å; M1-F3 HydrophobicContact SD-CE1 3.69Å; M1-F3 HydrophobicContact SD-CE2 4.01Å; M1-F3 HydrophobicContact SD-CZ 3.27Å; M1-F3 WeakPolarHBondContact SD-CZ 3.42Å | |||
| 2 | R | 58.5 | Low | 84.4 | Confident | 217 Ų | 217 | 100.7 Ų | 100.7 | 82% | 0.819 | 51% | 0.513 | S | S | * | . | trans | -82.1 | 116 | 173.6 | -77.6 | -176.8 | -177 | 173 | 1.1 | 107.5 | I4 | R2-I4 VanDerWaalsContact C-N 3.32Š| ||
| 3 | F | 74.6 | Confident | 85.4 | Confident | 156 Ų | 156 | 97.3 Ų | 97.3 | 68% | 0.684 | 50% | 0.504 | S | S | * | . | trans | -93.2 | 10.1 | 177.7 | -66.1 | -84.6 | 0 | 0 | 0 | 113 | M1 L5 | M1-F3 HydrophobicContact CB-CD2 4.5Å; M1-F3 HydrophobicContact CB-CE2 3.89Å; M1-F3 HydrophobicContact CB-CZ 4.12Å; M1-F3 HydrophobicContact CE-CD1 4.29Å; M1-F3 HydrophobicContact CE-CE1 3.37Å; M1-F3 HydrophobicContact CE-CZ 3.65Å; M1-F3 HydrophobicContact CG-CD1 4.47Å; M1-F3 HydrophobicContact CG-CD2 4.34Å; M1-F3 HydrophobicContact CG-CE1 3.94Å; M1-F3 HydrophobicContact CG-CE2 3.78Å; M1-F3 HydrophobicContact CG-CZ 3.57Å; M1-F3 WeakPolarHBondContact O-CD2 3.49Å; M1-F3 HydrophobicContact SD-CE1 3.69Å; M1-F3 HydrophobicContact SD-CE2 4.01Å; M1-F3 HydrophobicContact SD-CZ 3.27Å; M1-F3 WeakPolarHBondContact SD-CZ 3.42Å; F3-L5 PolarHBondContact O-N 2.89Å | ||
| 4 | I | 81.7 | Confident | 86.2 | Confident | 61 Ų | 61 | 95.9 Ų | 95.9 | 31% | 0.313 | 50% | 0.502 | S | S | . | . | trans | -80.9 | 121.9 | -176.1 | -52.8 | 168.7 | 0 | 0 | 0 | 107.6 | R2 R50 | R2-I4 VanDerWaalsContact C-N 3.32Å; I4-R50 VanDerWaalsContact CD1-NH1 3.25Å | ||
| 5 | L | 90.4 | Very high | 86.9 | Confident | 74 Ų | 74 | 93.7 Ų | 93.7 | 39% | 0.387 | 49% | 0.491 | S | S | . | . | trans | -74.2 | 124.9 | 166.4 | 170.4 | 66.6 | 0 | 0 | 0 | 108.8 | F3 V7 V27 F33 L36 | F3-L5 PolarHBondContact O-N 2.89Å; L5-V7 HydrophobicContact CD1-CG1 4.09Å; L5-V7 HydrophobicContact CD2-CG1 4.2Å; L5-V7 HydrophobicContact CG-CG1 4.01Å; L5-V27 HydrophobicContact CD1-CG1 3.95Å; L5-F33 HydrophobicContact CB-CE2 4.44Å; L5-F33 HydrophobicContact CB-CZ 4.48Å; L5-F33 HydrophobicContact CD1-CD2 3.68Å; L5-F33 HydrophobicContact CD1-CE2 4.01Å; L5-F33 HydrophobicContact CD1-CG 4.07Å; L5-L36 HydrophobicContact CD1-CD1 3.6Å; L5-L36 HydrophobicContact CD2-CD1 3.39Å; L5-L36 HydrophobicContact CG-CD1 4.14Å | ||
| 6 | S | 92.4 | Very high | 87.5 | Confident | 60 Ų | 60 | 98.1 Ų | 98.1 | 42% | 0.42 | 51% | 0.508 | S | S | . | . | trans | -107.7 | 125.7 | 171.2 | -63.9 | 0 | 0 | 0 | 0 | 109.9 | Q28 | S6-Q28 PolarHBondContact O-N 2.96Å; S6-Q28 VanDerWaalsContact O-N 3.11Å | ||
| 7 | V | 92.9 | Very high | 88 | Confident | 49 Ų | 49 | 101.9 Ų | 101.9 | 30% | 0.297 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 142.7 | 175.5 | -65.6 | 0 | 0 | 0 | 0 | 109.5 | L5 L22 V25 C26 V27 I44 | L5-V7 HydrophobicContact CD1-CG1 4.09Å; L5-V7 HydrophobicContact CD2-CG1 4.2Å; L5-V7 HydrophobicContact CG-CG1 4.01Å; V7-L22 HydrophobicContact CG2-CD1 4.17Å; V7-V25 HydrophobicContact CB-CG1 3.9Å; V7-V25 HydrophobicContact CG1-CG1 4.11Å; V7-C26 WeakPolarHBondContact CA-O 3.19Å; V7-V27 HydrophobicContact CG1-CG2 4.33Å; V7-I44 HydrophobicContact CG2-CD1 3.96Å |
| 8 | S | 93.6 | Very high | 88.5 | Confident | 47 Ų | 47 | 102.9 Ų | 102.9 | 33% | 0.329 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 147.7 | 169.9 | 51.5 | 0 | 0 | 0 | 0 | 109 | V25 C26 Q28 | S8-V25 CarbonylContact O-C 3.49Å; S8-V25 VanDerWaalsContact O-CA 3.31Å; S8-V25 WeakPolarHBondContact O-CA 3.13Å; S8-C26 PolarHBondContact N-O 3.01Å; S8-C26 PolarHBondContact O-N 3.46Å; S8-C26 PolarHBondContact OG-O 3.04Å; S8-Q28 PolarHBondContact OG-NE2 3.28Å |
| 9 | G | 93.7 | Very high | 89 | Confident | 33 Ų | 33 | 98.5 Ų | 98.5 | 34% | 0.34 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L23 | G9-L23 CarbonylContact C-O 3.57Å; G9-L23 WeakPolarHBondContact CA-O 3.4Å |
| 10 | N | 95 | Very high | 89.4 | Confident | 100 Ų | 100 | 94.1 Ų | 94.1 | 54% | 0.535 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 125.3 | 179.7 | -65.5 | -39.1 | 0 | 0 | 0 | 110.2 | H12 L22 L23 D24 | N10-H12 PolarHBondContact O-N 3.29Å; N10-L22 CarbonylContact O-C 3.52Å; N10-L22 VanDerWaalsContact O-CA 3.31Å; N10-L22 WeakPolarHBondContact O-CA 3.49Å; N10-L23 HydrophobicContact CB-CB 4.49Å; N10-L23 PolarHBondContact N-O 2.91Å; N10-L23 PolarHBondContact O-N 3.01Å; N10-D24 PolarHBondContact ND2-OD2 3.45Å |
| 11 | L | 95.9 | Very high | 89.7 | Confident | 109 Ų | 109 | 93.3 Ų | 93.3 | 57% | 0.571 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 116.7 | 176.9 | -177.3 | 61.9 | 0 | 0 | 0 | 110.7 | V14 V20 L22 | L11-V14 HydrophobicContact CD1-CG2 3.74Å; L11-V14 HydrophobicContact CD2-CG2 4.13Å; L11-V14 HydrophobicContact CG-CG2 4.3Å; L11-V20 HydrophobicContact CD1-CG1 3.35Å; L11-L22 HydrophobicContact CB-CD2 4.4Å; L11-L22 HydrophobicContact CD1-CD2 4.12Å |
| 12 | H | 96.3 | Very high | 92 | Very high | 105 Ų | 105 | 84.9 Ų | 84.9 | 49% | 0.486 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -40.7 | -177.9 | 176 | 81.3 | 0 | 0 | 0 | 113.7 | N10 K21 L23 | N10-H12 PolarHBondContact O-N 3.29Å; H12-K21 HydrophobicContact CB-CG 4.45Å; H12-K21 WeakPolarHBondContact CB-O 3.33Å; H12-K21 PolarHBondContact N-O 3.09Å; H12-K21 PolarHBondContact NE2-NZ 3.43Å; H12-L23 HydrophobicContact CB-CD1 3.84Å; H12-L23 HydrophobicContact CB-CG 3.75Å; H12-L23 WeakPolarHBondContact ND1-CD1 3.41Å |
| 13 | S | 96.7 | Very high | 93.8 | Very high | 57 Ų | 57 | 76.6 Ų | 76.6 | 40% | 0.399 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 150 | 177.5 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | K21 | S13-K21 PolarHBondContact N-O 3.34Å; S13-K21 PolarHBondContact O-N 3.49Å; S13-K21 VanDerWaalsContact OG-CB 3.27Å; S13-K21 WeakPolarHBondContact OG-CB 3.41Å |
| 14 | V | 97.3 | Very high | 94.7 | Very high | 78 Ų | 78 | 74.4 Ų | 74.4 | 47% | 0.473 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.5 | 172.7 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | L11 L18 N19 V20 | L11-V14 HydrophobicContact CD1-CG2 3.74Å; L11-V14 HydrophobicContact CD2-CG2 4.13Å; L11-V14 HydrophobicContact CG-CG2 4.3Å; V14-L18 HydrophobicContact CG1-CD2 4.39Å; V14-N19 WeakPolarHBondContact CA-O 3.37Å; V14-V20 HydrophobicContact CG2-CG2 4.37Å |
| 15 | D | 97 | Very high | 95.2 | Very high | 63 Ų | 63 | 72.3 Ų | 72.3 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | trans | -105.4 | -179.9 | 175.6 | 73.8 | 14.9 | 0 | 0 | 0 | 113.1 | Y17 L18 N19 | D15-Y17 PolarHBondContact O-N 3.02Å; D15-Y17 VanDerWaalsContact O-N 3.17Å; D15-Y17 WeakPolarHBondContact OD1-CA 3.41Å; D15-Y17 PolarHBondContact OD1-N 2.64Å; D15-L18 PolarHBondContact O-N 3.36Å; D15-L18 PolarHBondContact OD1-N 3.07Å; D15-N19 PolarHBondContact N-O 3.25Å; D15-N19 WeakPolarHBondContact OD1-CB 3.39Å; D15-N19 PolarHBondContact OD1-N 3.46Å; D15-N19 PolarHBondContact OD1-ND2 3.4Å; D15-N19 WeakPolarHBondContact OD2-CB 3.42Å; D15-N19 PolarHBondContact OD2-ND2 3.09Å | ||
| 16 | Q | 96.2 | Very high | 95.3 | Very high | 164 Ų | 164 | 72.3 Ų | 72.3 | 77% | 0.766 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.9 | -179.4 | 68.1 | -178.3 | -13.4 | 0 | 0 | 114.8 | L18 | Q16-L18 VanDerWaalsContact C-N 3.33Š|
| 17 | Y | 96.5 | Very high | 95.3 | Very high | 163 Ų | 163 | 70 Ų | 70 | 64% | 0.639 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 10.1 | 176.2 | -59.3 | -66.5 | 0 | 0 | 0 | 112 | D15 N19 | D15-Y17 PolarHBondContact O-N 3.02Å; D15-Y17 VanDerWaalsContact O-N 3.17Å; D15-Y17 WeakPolarHBondContact OD1-CA 3.41Å; D15-Y17 PolarHBondContact OD1-N 2.64Å; Y17-N19 PolarHBondContact O-N 2.85Å |
| 18 | L | 96.4 | Very high | 95.1 | Very high | 120 Ų | 120 | 73.2 Ų | 73.2 | 63% | 0.628 | 39% | 0.388 | S | S | * | . | trans | 60 | 28.1 | -176 | -48.3 | 177.4 | 0 | 0 | 0 | 112.3 | V14 D15 Q16 G46 | V14-L18 HydrophobicContact CG1-CD2 4.39Å; D15-L18 PolarHBondContact O-N 3.36Å; D15-L18 PolarHBondContact OD1-N 3.07Å; Q16-L18 VanDerWaalsContact C-N 3.33Å; L18-G46 WeakPolarHBondContact O-CA 3.38Å | ||
| 19 | N | 97.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 74.4 Ų | 74.4 | 10% | 0.102 | 39% | 0.388 | C | S | . | . | trans | -70.9 | 138.8 | 167.1 | -55.1 | -51.3 | 0 | 0 | 0 | 108.9 | V14 D15 Y17 F43 I44 R45 G46 | V14-N19 WeakPolarHBondContact CA-O 3.37Å; D15-N19 PolarHBondContact N-O 3.25Å; D15-N19 WeakPolarHBondContact OD1-CB 3.39Å; D15-N19 PolarHBondContact OD1-N 3.46Å; D15-N19 PolarHBondContact OD1-ND2 3.4Å; D15-N19 WeakPolarHBondContact OD2-CB 3.42Å; D15-N19 PolarHBondContact OD2-ND2 3.09Å; Y17-N19 PolarHBondContact O-N 2.85Å; N19-F43 HydrophobicContact CB-CE1 4.35Å; N19-F43 HydrophobicContact CB-CE2 3.67Å; N19-F43 HydrophobicContact CB-CZ 3.45Å; N19-F43 VanDerWaalsContact CB-CZ 3.45Å; N19-I44 CarbonylContact C-O 3.57Å; N19-I44 WeakPolarHBondContact CA-O 3.4Å; N19-R45 WeakPolarHBondContact OD1-CA 3.39Å; N19-R45 WeakPolarHBondContact OD1-CG 3.42Å; N19-G46 PolarHBondContact OD1-N 3.41Å | ||
| 20 | V | 97.6 | Very high | 94.5 | Very high | 9 Ų | 9 | 75.7 Ų | 75.7 | 6% | 0.055 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.2 | -170.7 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | L11 V14 L22 F43 I44 I52 | L11-V20 HydrophobicContact CD1-CG1 3.35Å; V14-V20 HydrophobicContact CG2-CG2 4.37Å; V20-L22 HydrophobicContact CG1-CD2 3.68Å; V20-L22 HydrophobicContact CG1-CG 3.93Å; V20-F43 WeakPolarHBondContact O-CA 3.31Å; V20-I44 PolarHBondContact N-O 2.96Å; V20-I44 PolarHBondContact O-N 3.42Å; V20-I52 HydrophobicContact CG2-CD1 4.09Å |
| 21 | K | 96.6 | Very high | 94.1 | Very high | 79 Ų | 79 | 75.7 Ų | 75.7 | 34% | 0.343 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 119.9 | 166.4 | -172.2 | 168.3 | 164.3 | -158.7 | 0 | 109.4 | H12 S13 C42 | H12-K21 HydrophobicContact CB-CG 4.45Å; H12-K21 WeakPolarHBondContact CB-O 3.33Å; H12-K21 PolarHBondContact N-O 3.09Å; H12-K21 PolarHBondContact NE2-NZ 3.43Å; S13-K21 PolarHBondContact N-O 3.34Å; S13-K21 PolarHBondContact O-N 3.49Å; S13-K21 VanDerWaalsContact OG-CB 3.27Å; S13-K21 WeakPolarHBondContact OG-CB 3.41Å; K21-C42 WeakPolarHBondContact CA-O 3.36Å |
| 22 | L | 96.2 | Very high | 93.8 | Very high | 19 Ų | 19 | 76.2 Ų | 76.2 | 10% | 0.099 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 140.7 | 173.8 | -61.6 | -178.5 | 0 | 0 | 0 | 110.4 | V7 N10 L11 V20 V25 N41 C42 I44 | V7-L22 HydrophobicContact CG2-CD1 4.17Å; N10-L22 CarbonylContact O-C 3.52Å; N10-L22 VanDerWaalsContact O-CA 3.31Å; N10-L22 WeakPolarHBondContact O-CA 3.49Å; L11-L22 HydrophobicContact CB-CD2 4.4Å; L11-L22 HydrophobicContact CD1-CD2 4.12Å; V20-L22 HydrophobicContact CG1-CD2 3.68Å; V20-L22 HydrophobicContact CG1-CG 3.93Å; L22-V25 HydrophobicContact CB-CG2 3.54Å; L22-V25 HydrophobicContact CD1-CG2 4.47Å; L22-N41 WeakPolarHBondContact O-CA 3.13Å; L22-C42 PolarHBondContact N-O 2.98Å; L22-C42 PolarHBondContact O-N 2.84Å; L22-I44 HydrophobicContact CD1-CD1 3.84Å; L22-I44 HydrophobicContact CG-CD1 4.4Å |
| 23 | L | 95.2 | Very high | 93.3 | Very high | 44 Ų | 44 | 73.5 Ų | 73.5 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 161 | 168 | -57.3 | 176.5 | 0 | 0 | 0 | 109.7 | G9 N10 H12 V25 K40 N41 | G9-L23 CarbonylContact C-O 3.57Å; G9-L23 WeakPolarHBondContact CA-O 3.4Å; N10-L23 HydrophobicContact CB-CB 4.49Å; N10-L23 PolarHBondContact N-O 2.91Å; N10-L23 PolarHBondContact O-N 3.01Å; H12-L23 HydrophobicContact CB-CD1 3.84Å; H12-L23 HydrophobicContact CB-CG 3.75Å; H12-L23 WeakPolarHBondContact ND1-CD1 3.41Å; L23-V25 VanDerWaalsContact C-N 3.28Å; L23-V25 PolarHBondContact O-N 3.39Å; L23-K40 CarbonylContact C-O 3.58Å; L23-N41 HydrophobicContact CD2-CB 4.16Å; L23-N41 WeakPolarHBondContact CD2-OD1 3.43Å |
| 24 | D | 93.4 | Very high | 92.9 | Very high | 109 Ų | 109 | 74.6 Ų | 74.6 | 58% | 0.583 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.6 | 47.9 | 179 | -54.1 | -50.2 | 0 | 0 | 0 | 113.3 | N10 C26 K40 | N10-D24 PolarHBondContact ND2-OD2 3.45Å; D24-C26 PolarHBondContact O-N 3.39Å; D24-K40 WeakPolarHBondContact CA-O 3.42Å; D24-K40 PolarHBondContact N-O 3.49Å |
| 25 | V | 93.7 | Very high | 92.4 | Very high | 18 Ų | 18 | 76.9 Ų | 76.9 | 11% | 0.109 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 131.6 | -174.6 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | V7 S8 L22 L23 K40 C42 | V7-V25 HydrophobicContact CB-CG1 3.9Å; V7-V25 HydrophobicContact CG1-CG1 4.11Å; S8-V25 CarbonylContact O-C 3.49Å; S8-V25 VanDerWaalsContact O-CA 3.31Å; S8-V25 WeakPolarHBondContact O-CA 3.13Å; L22-V25 HydrophobicContact CB-CG2 3.54Å; L22-V25 HydrophobicContact CD1-CG2 4.47Å; L23-V25 VanDerWaalsContact C-N 3.28Å; L23-V25 PolarHBondContact O-N 3.39Å; V25-K40 PolarHBondContact N-O 2.94Å; V25-C42 HydrophobicContact CG2-CB 3.97Å |
| 26 | C | 91.7 | Very high | 91.8 | Very high | 73 Ų | 73 | 76.2 Ų | 76.2 | 49% | 0.493 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.6 | 170.9 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | V7 S8 D24 | V7-C26 WeakPolarHBondContact CA-O 3.19Å; S8-C26 PolarHBondContact N-O 3.01Å; S8-C26 PolarHBondContact O-N 3.46Å; S8-C26 PolarHBondContact OG-O 3.04Å; D24-C26 PolarHBondContact O-N 3.39Å |
| 27 | V | 91.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 73.5 Ų | 73.5 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 124.5 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | L5 V7 E29 P30 F33 L36 | L5-V27 HydrophobicContact CD1-CG1 3.95Å; V7-V27 HydrophobicContact CG1-CG2 4.33Å; V27-E29 VanDerWaalsContact C-N 3.28Å; V27-E29 PolarHBondContact O-N 2.73Å; V27-P30 WeakPolarHBondContact O-CD 3.47Å; V27-F33 HydrophobicContact CG1-CB 4.46Å; V27-L36 HydrophobicContact CG2-CB 3.53Å |
| 28 | Q | 89.3 | Confident | 90.7 | Very high | 116 Ų | 116 | 70.7 Ų | 70.7 | 54% | 0.542 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -68 | -28.3 | -176.1 | -65.1 | -68.4 | -30.6 | 0 | 0 | 112.8 | S6 S8 P30 | S6-Q28 PolarHBondContact O-N 2.96Å; S6-Q28 VanDerWaalsContact O-N 3.11Å; S8-Q28 PolarHBondContact OG-NE2 3.28Å; Q28-P30 WeakPolarHBondContact O-CD 3.32Å |
| 29 | E | 88 | Confident | 90.1 | Very high | 72 Ų | 72 | 66.2 Ų | 66.2 | 34% | 0.336 | 37% | 0.371 | S | S | . | . | trans | -125.7 | 68.9 | -179.5 | -62 | -173.1 | -97.7 | 0 | 0 | 111.6 | V27 A31 K32 F33 | V27-E29 VanDerWaalsContact C-N 3.28Å; V27-E29 PolarHBondContact O-N 2.73Å; E29-A31 PolarHBondContact O-N 3.13Å; E29-K32 HydrophobicContact CB-CB 4.4Å; E29-K32 HydrophobicContact CB-CD 4.33Å; E29-K32 PolarHBondContact O-N 3.24Å; E29-K32 VanDerWaalsContact O-N 3.1Å; E29-K32 IonicContact OE1-NZ 3.76Å; E29-K32 WeakPolarHBondContact OE2-CD 3.5Å; E29-K32 WeakPolarHBondContact OE2-CE 3.27Å; E29-K32 IonicContact OE2-NZ 2.63Å; E29-K32 PolarHBondContact OE2-NZ 3.39Å; E29-F33 PolarHBondContact O-N 3.07Å | ||
| 30 | P | 86.4 | Confident | 89.7 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 38% | 0.383 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -29.1 | -173.2 | 25.8 | -33.9 | 0 | 0 | 0 | 112.7 | V27 Q28 K32 F33 P34 I37 | V27-P30 WeakPolarHBondContact O-CD 3.47Å; Q28-P30 WeakPolarHBondContact O-CD 3.32Å; P30-K32 VanDerWaalsContact C-N 3.29Å; P30-K32 PolarHBondContact O-N 3.44Å; P30-F33 CarbonylContact O-C 3.27Å; P30-F33 VanDerWaalsContact O-C 3.27Å; P30-F33 PolarHBondContact O-N 3.42Å; P30-P34 WeakPolarHBondContact O-CA 3.38Å; P30-P34 VanDerWaalsContact O-N 3.15Å; P30-I37 HydrophobicContact CB-CD1 3.73Å; P30-I37 HydrophobicContact CB-CG1 3.7Å |
| 31 | A | 87.7 | Confident | 89.4 | Confident | 101 Ų | 101 | 77 Ų | 77 | 84% | 0.835 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -29.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E29 | E29-A31 PolarHBondContact O-N 3.13Š|
| 32 | K | 88 | Confident | 89.2 | Confident | 120 Ų | 120 | 74.8 Ų | 74.8 | 52% | 0.522 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -27.5 | 177 | -70.5 | -176.7 | -178.8 | 166.6 | 0 | 112.6 | E29 P30 P34 | E29-K32 HydrophobicContact CB-CB 4.4Å; E29-K32 HydrophobicContact CB-CD 4.33Å; E29-K32 PolarHBondContact O-N 3.24Å; E29-K32 VanDerWaalsContact O-N 3.1Å; E29-K32 IonicContact OE1-NZ 3.76Å; E29-K32 WeakPolarHBondContact OE2-CD 3.5Å; E29-K32 WeakPolarHBondContact OE2-CE 3.27Å; E29-K32 IonicContact OE2-NZ 2.63Å; E29-K32 PolarHBondContact OE2-NZ 3.39Å; P30-K32 VanDerWaalsContact C-N 3.29Å; P30-K32 PolarHBondContact O-N 3.44Å; K32-P34 VanDerWaalsContact C-CD 3.48Å |
| 33 | F | 87.1 | Confident | 89.2 | Confident | 47 Ų | 47 | 80.4 Ų | 80.4 | 21% | 0.206 | 44% | 0.438 | C | S | . | . | trans | -131.6 | 62.6 | -174.6 | -53.7 | -74.8 | 0 | 0 | 0 | 111.3 | L5 V27 E29 P30 Q35 L36 | L5-F33 HydrophobicContact CB-CE2 4.44Å; L5-F33 HydrophobicContact CB-CZ 4.48Å; L5-F33 HydrophobicContact CD1-CD2 3.68Å; L5-F33 HydrophobicContact CD1-CE2 4.01Å; L5-F33 HydrophobicContact CD1-CG 4.07Å; V27-F33 HydrophobicContact CG1-CB 4.46Å; E29-F33 PolarHBondContact O-N 3.07Å; P30-F33 CarbonylContact O-C 3.27Å; P30-F33 VanDerWaalsContact O-C 3.27Å; P30-F33 PolarHBondContact O-N 3.42Å; F33-Q35 VanDerWaalsContact C-OE1 3.28Å; F33-Q35 PolarHBondContact O-N 3.29Å; F33-Q35 VanDerWaalsContact O-N 3.14Å; F33-L36 HydrophobicContact CB-CB 4.47Å; F33-L36 HydrophobicContact CB-CD1 3.9Å; F33-L36 HydrophobicContact CB-CG 4.23Å; F33-L36 HydrophobicContact CG-CD1 4.42Å; F33-L36 PolarHBondContact O-N 3.35Å | ||
| 34 | P | 87.5 | Confident | 89.2 | Confident | 80 Ų | 80 | 80.3 Ų | 80.3 | 52% | 0.519 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -59.9 | -29 | -175.6 | 24.3 | -34.9 | 0 | 0 | 0 | 113.1 | P30 K32 L36 I37 | P30-P34 WeakPolarHBondContact O-CA 3.38Å; P30-P34 VanDerWaalsContact O-N 3.15Å; K32-P34 VanDerWaalsContact C-CD 3.48Å; P34-L36 PolarHBondContact O-N 2.88Å; P34-L36 VanDerWaalsContact O-N 3.15Å; P34-I37 HydrophobicContact CB-CD1 4.31Å; P34-I37 WeakPolarHBondContact O-CG1 3.43Å; P34-I37 PolarHBondContact O-N 3.13Å |
| 35 | Q | 86.3 | Confident | 89.3 | Confident | 127 Ų | 127 | 82.9 Ų | 82.9 | 59% | 0.593 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -63.8 | -17.3 | 177.8 | 70.4 | -82 | 15.3 | 0 | 0 | 114.1 | F33 | F33-Q35 VanDerWaalsContact C-OE1 3.28Å; F33-Q35 PolarHBondContact O-N 3.29Å; F33-Q35 VanDerWaalsContact O-N 3.14Å |
| 36 | L | 85.8 | Confident | 89.4 | Confident | 49 Ų | 49 | 82.7 Ų | 82.7 | 26% | 0.257 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -97.5 | -6.7 | -178 | -61.8 | -179.9 | 0 | 0 | 0 | 113.3 | L5 V27 F33 P34 S38 A39 | L5-L36 HydrophobicContact CD1-CD1 3.6Å; L5-L36 HydrophobicContact CD2-CD1 3.39Å; L5-L36 HydrophobicContact CG-CD1 4.14Å; V27-L36 HydrophobicContact CG2-CB 3.53Å; F33-L36 HydrophobicContact CB-CB 4.47Å; F33-L36 HydrophobicContact CB-CD1 3.9Å; F33-L36 HydrophobicContact CB-CG 4.23Å; F33-L36 HydrophobicContact CG-CD1 4.42Å; F33-L36 PolarHBondContact O-N 3.35Å; P34-L36 PolarHBondContact O-N 2.88Å; P34-L36 VanDerWaalsContact O-N 3.15Å; L36-S38 VanDerWaalsContact C-N 3.27Å; L36-S38 PolarHBondContact O-N 3.4Å; L36-A39 WeakPolarHBondContact O-CB 3.31Å; L36-A39 PolarHBondContact O-N 3.41Å; L36-A39 VanDerWaalsContact O-N 3.15Å |
| 37 | I | 83 | Confident | 89.6 | Confident | 106 Ų | 106 | 83.6 Ų | 83.6 | 54% | 0.544 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -32 | -175.2 | -63.1 | 173.2 | 0 | 0 | 0 | 112.1 | P30 P34 A39 | P30-I37 HydrophobicContact CB-CD1 3.73Å; P30-I37 HydrophobicContact CB-CG1 3.7Å; P34-I37 HydrophobicContact CB-CD1 4.31Å; P34-I37 WeakPolarHBondContact O-CG1 3.43Å; P34-I37 PolarHBondContact O-N 3.13Å; I37-A39 VanDerWaalsContact C-N 3.33Å |
| 38 | S | 85.3 | Confident | 89.8 | Confident | 104 Ų | 104 | 88 Ų | 88 | 73% | 0.727 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -8.7 | 179.6 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | L36 K40 | L36-S38 VanDerWaalsContact C-N 3.27Å; L36-S38 PolarHBondContact O-N 3.4Å; S38-K40 PolarHBondContact O-N 3.16Å; S38-K40 VanDerWaalsContact O-N 3.1Å |
| 39 | A | 83.6 | Confident | 90 | Very high | 27 Ų | 27 | 84.9 Ų | 84.9 | 22% | 0.223 | 46% | 0.464 | C | S | . | . | trans | -77.3 | 99.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L36 I37 | L36-A39 WeakPolarHBondContact O-CB 3.31Å; L36-A39 PolarHBondContact O-N 3.41Å; L36-A39 VanDerWaalsContact O-N 3.15Å; I37-A39 VanDerWaalsContact C-N 3.33Å | ||
| 40 | K | 89 | Confident | 90.4 | Very high | 155 Ų | 155 | 89.4 Ų | 89.4 | 67% | 0.674 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -77.5 | -36.4 | 173.8 | -65 | -170.2 | 177.1 | -172.3 | 0 | 112.7 | L23 D24 V25 S38 | L23-K40 CarbonylContact C-O 3.58Å; D24-K40 WeakPolarHBondContact CA-O 3.42Å; D24-K40 PolarHBondContact N-O 3.49Å; V25-K40 PolarHBondContact N-O 2.94Å; S38-K40 PolarHBondContact O-N 3.16Å; S38-K40 VanDerWaalsContact O-N 3.1Å |
| 41 | N | 92.4 | Very high | 90.8 | Very high | 100 Ų | 100 | 94.5 Ų | 94.5 | 54% | 0.535 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -125.6 | 134.1 | -177.4 | -59.3 | -27 | 0 | 0 | 0 | 109.2 | L22 L23 | L22-N41 WeakPolarHBondContact O-CA 3.13Å; L23-N41 HydrophobicContact CD2-CB 4.16Å; L23-N41 WeakPolarHBondContact CD2-OD1 3.43Å |
| 42 | C | 92.6 | Very high | 91.2 | Very high | 32 Ų | 32 | 94.9 Ų | 94.9 | 22% | 0.216 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.4 | -179.1 | -68 | 0 | 0 | 0 | 0 | 111.1 | K21 L22 V25 I44 | K21-C42 WeakPolarHBondContact CA-O 3.36Å; L22-C42 PolarHBondContact N-O 2.98Å; L22-C42 PolarHBondContact O-N 2.84Å; V25-C42 HydrophobicContact CG2-CB 3.97Å; C42-I44 HydrophobicContact CB-CG1 4.41Å |
| 43 | F | 95.2 | Very high | 91.5 | Very high | 137 Ų | 137 | 97 Ų | 97 | 60% | 0.601 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 121.1 | 164.2 | 177.4 | -96.4 | 0 | 0 | 0 | 108.4 | N19 V20 | N19-F43 HydrophobicContact CB-CE1 4.35Å; N19-F43 HydrophobicContact CB-CE2 3.67Å; N19-F43 HydrophobicContact CB-CZ 3.45Å; N19-F43 VanDerWaalsContact CB-CZ 3.45Å; V20-F43 WeakPolarHBondContact O-CA 3.31Å |
| 44 | I | 95 | Very high | 91.8 | Very high | 41 Ų | 41 | 99.6 Ų | 99.6 | 21% | 0.21 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.1 | -176.1 | -53.9 | 173.5 | 0 | 0 | 0 | 107.9 | V7 N19 V20 L22 C42 G46 V48 V49 | V7-I44 HydrophobicContact CG2-CD1 3.96Å; N19-I44 CarbonylContact C-O 3.57Å; N19-I44 WeakPolarHBondContact CA-O 3.4Å; V20-I44 PolarHBondContact N-O 2.96Å; V20-I44 PolarHBondContact O-N 3.42Å; L22-I44 HydrophobicContact CD1-CD1 3.84Å; L22-I44 HydrophobicContact CG-CD1 4.4Å; C42-I44 HydrophobicContact CB-CG1 4.41Å; I44-G46 PolarHBondContact O-N 3.24Å; I44-V48 HydrophobicContact CG2-CG2 4.05Å; I44-V49 HydrophobicContact CG2-CG2 3.61Å |
| 45 | R | 96.1 | Very high | 92.2 | Very high | 163 Ų | 163 | 98 Ų | 98 | 62% | 0.615 | 49% | 0.494 | S | S | * | . | trans | -69.2 | 127.8 | 177 | -169.5 | -178.7 | 177.2 | 107.3 | 0.7 | 109.8 | N19 S47 V48 | N19-R45 WeakPolarHBondContact OD1-CA 3.39Å; N19-R45 WeakPolarHBondContact OD1-CG 3.42Å; R45-S47 VanDerWaalsContact CD-OG 3.29Å; R45-S47 WeakPolarHBondContact CD-OG 3.4Å; R45-S47 WeakPolarHBondContact CG-OG 3.38Å; R45-S47 PolarHBondContact NE-OG 3.46Å; R45-S47 PolarHBondContact O-N 3.28Å; R45-S47 VanDerWaalsContact O-N 3.09Å; R45-V48 HydrophobicContact CB-CG2 4.31Å; R45-V48 WeakPolarHBondContact O-CG2 3.47Å; R45-V48 PolarHBondContact O-N 3.45Å | ||
| 46 | G | 95.7 | Very high | 92.6 | Very high | 15 Ų | 15 | 97.2 Ų | 97.2 | 16% | 0.155 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -54.9 | -35 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L18 N19 I44 V48 V49 | L18-G46 WeakPolarHBondContact O-CA 3.38Å; N19-G46 PolarHBondContact OD1-N 3.41Å; I44-G46 PolarHBondContact O-N 3.24Å; G46-V48 PolarHBondContact O-N 3.14Å; G46-V48 VanDerWaalsContact O-N 3.17Å; G46-V49 WeakPolarHBondContact O-CB 3.21Å; G46-V49 PolarHBondContact O-N 2.92Å; G46-V49 VanDerWaalsContact O-N 3.16Å |
| 47 | S | 96.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 102.4 Ų | 102.4 | 64% | 0.643 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -66.4 | -15 | 179 | 67.6 | 0 | 0 | 0 | 0 | 115.3 | R45 | R45-S47 VanDerWaalsContact CD-OG 3.29Å; R45-S47 WeakPolarHBondContact CD-OG 3.4Å; R45-S47 WeakPolarHBondContact CG-OG 3.38Å; R45-S47 PolarHBondContact NE-OG 3.46Å; R45-S47 PolarHBondContact O-N 3.28Å; R45-S47 VanDerWaalsContact O-N 3.09Å |
| 48 | V | 95 | Very high | 93.6 | Very high | 105 Ų | 105 | 104.1 Ų | 104.1 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -101.4 | -6 | 177 | -54.9 | 0 | 0 | 0 | 0 | 112.9 | I44 R45 G46 | I44-V48 HydrophobicContact CG2-CG2 4.05Å; R45-V48 HydrophobicContact CB-CG2 4.31Å; R45-V48 WeakPolarHBondContact O-CG2 3.47Å; R45-V48 PolarHBondContact O-N 3.45Å; G46-V48 PolarHBondContact O-N 3.14Å; G46-V48 VanDerWaalsContact O-N 3.17Å |
| 49 | V | 95.1 | Very high | 94.1 | Very high | 51 Ų | 51 | 101.6 Ų | 101.6 | 31% | 0.309 | 51% | 0.508 | S | S | . | . | trans | -77.2 | 127 | -179.4 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | I44 G46 I52 | I44-V49 HydrophobicContact CG2-CG2 3.61Å; G46-V49 WeakPolarHBondContact O-CB 3.21Å; G46-V49 PolarHBondContact O-N 2.92Å; G46-V49 VanDerWaalsContact O-N 3.16Å; V49-I52 HydrophobicContact CG1-CD1 4.08Å; V49-I52 HydrophobicContact CG1-CG1 3.6Å | ||
| 50 | R | 95.5 | Very high | 94.7 | Very high | 166 Ų | 166 | 104.9 Ų | 104.9 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | trans | -91.1 | -48.9 | 172.9 | -171.7 | 179.1 | -64.5 | -163.6 | -2.8 | 111.9 | I4 | I4-R50 VanDerWaalsContact CD1-NH1 3.25Š| ||
| 51 | Y | 95.3 | Very high | 95.1 | Very high | 167 Ų | 167 | 101.5 Ų | 101.5 | 66% | 0.655 | 52% | 0.515 | S | S | * | . | trans | -143.3 | 145.2 | -178.6 | -58 | -56.5 | 0 | 0 | 0 | 109.7 | ||||
| 52 | I | 95 | Very high | 95.3 | Very high | 108 Ų | 108 | 100.8 Ų | 100.8 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | trans | -120.8 | 119.5 | 164.3 | -58.8 | -179.5 | 0 | 0 | 0 | 105.5 | V20 V49 L54 | V20-I52 HydrophobicContact CG2-CD1 4.09Å; V49-I52 HydrophobicContact CG1-CD1 4.08Å; V49-I52 HydrophobicContact CG1-CG1 3.6Å; I52-L54 HydrophobicContact CG2-CD2 4Å; I52-L54 HydrophobicContact CG2-CG 4.32Å | ||
| 53 | H | 94.7 | Very high | 95.5 | Very high | 165 Ų | 165 | 104.8 Ų | 104.8 | 76% | 0.764 | 53% | 0.533 | S | S | * | . | trans | -94.8 | 128.5 | 175.7 | -66.3 | -92.4 | 0 | 0 | 0 | 108.3 | ||||
| 54 | L | 94 | Very high | 95.6 | Very high | 101 Ų | 101 | 103 Ų | 103 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | trans | -117.5 | 147.2 | 176.6 | -59.4 | 174 | 0 | 0 | 0 | 108.8 | I52 V59 | I52-L54 HydrophobicContact CG2-CD2 4Å; I52-L54 HydrophobicContact CG2-CG 4.32Å; L54-V59 HydrophobicContact CB-CG2 4.11Å; L54-V59 HydrophobicContact CD1-CG2 4.11Å | ||
| 55 | P | 94.9 | Very high | 95.7 | Very high | 48 Ų | 48 | 105.9 Ų | 105.9 | 31% | 0.312 | 54% | 0.542 | S | S | . | . | trans | -61.2 | 138.1 | 169.7 | -17.3 | 30.5 | 0 | 0 | 0 | 110.6 | E57 E58 | P55-E57 HydrophobicContact CB-CG 4Å; P55-E57 WeakPolarHBondContact CB-OE1 3.43Å; P55-E57 WeakPolarHBondContact CB-OE2 3.4Å; P55-E57 PolarHBondContact O-N 3.37Å; P55-E58 HydrophobicContact CB-CG 4.32Å; P55-E58 HydrophobicContact CG-CG 4.33Å; P55-E58 PolarHBondContact O-N 3.32Å; P55-E58 VanDerWaalsContact O-N 3.13Å | ||
| 56 | P | 95.1 | Very high | 95.7 | Very high | 110 Ų | 110 | 101.1 Ų | 101.1 | 71% | 0.714 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -61.6 | -28.2 | -178.8 | 24.2 | -33.6 | 0 | 0 | 0 | 113.2 | E58 V59 | P56-E58 VanDerWaalsContact C-N 3.26Å; P56-E58 PolarHBondContact O-N 3.48Å; P56-V59 PolarHBondContact O-N 2.88Å |
| 57 | E | 95.9 | Very high | 95.8 | Very high | 157 Ų | 157 | 102.8 Ų | 102.8 | 73% | 0.734 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -67.3 | -21.8 | 177 | 59.4 | -90.5 | -150.5 | 0 | 0 | 114 | P55 V59 | P55-E57 HydrophobicContact CB-CG 4Å; P55-E57 WeakPolarHBondContact CB-OE1 3.43Å; P55-E57 WeakPolarHBondContact CB-OE2 3.4Å; P55-E57 PolarHBondContact O-N 3.37Å; E57-V59 VanDerWaalsContact C-N 3.33Å |
| 58 | E | 93.4 | Very high | 95.8 | Very high | 143 Ų | 143 | 102.1 Ų | 102.1 | 67% | 0.668 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -88.6 | -2.1 | 178 | -64.8 | -171.9 | 178 | 0 | 0 | 112.8 | P55 P56 | P55-E58 HydrophobicContact CB-CG 4.32Å; P55-E58 HydrophobicContact CG-CG 4.33Å; P55-E58 PolarHBondContact O-N 3.32Å; P55-E58 VanDerWaalsContact O-N 3.13Å; P56-E58 VanDerWaalsContact C-N 3.26Å; P56-E58 PolarHBondContact O-N 3.48Å |
| 59 | V | 95.6 | Very high | 95.9 | Very high | 50 Ų | 50 | 103.3 Ų | 103.3 | 30% | 0.303 | 53% | 0.526 | S | S | . | . | trans | -122.4 | 106.4 | -173.3 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | L54 P56 E57 T61 L64 | L54-V59 HydrophobicContact CB-CG2 4.11Å; L54-V59 HydrophobicContact CD1-CG2 4.11Å; P56-V59 PolarHBondContact O-N 2.88Å; E57-V59 VanDerWaalsContact C-N 3.33Å; V59-T61 PolarHBondContact O-N 2.99Å; V59-L64 HydrophobicContact CG1-CD2 4.24Å | ||
| 60 | D | 96.9 | Very high | 95.9 | Very high | 97 Ų | 97 | 107.5 Ų | 107.5 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | trans | -74.4 | 98.4 | 166.7 | -172.9 | -25.5 | 0 | 0 | 0 | 110 | T62 L63 L64 | D60-T62 VanDerWaalsContact C-N 3.26Å; D60-T62 PolarHBondContact O-N 3.49Å; D60-T62 WeakPolarHBondContact OD1-CA 3.41Å; D60-T62 WeakPolarHBondContact OD1-CB 3.37Å; D60-T62 PolarHBondContact OD1-N 2.92Å; D60-L63 HydrophobicContact CB-CB 3.98Å; D60-L63 PolarHBondContact O-N 3.27Å; D60-L63 PolarHBondContact OD1-N 3.23Å; D60-L64 WeakPolarHBondContact O-CB 3.35Å; D60-L64 PolarHBondContact O-N 3.29Å | ||
| 61 | T | 96.5 | Very high | 95.8 | Very high | 84 Ų | 84 | 104.6 Ų | 104.6 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -28.4 | -179.6 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | V59 Q65 | V59-T61 PolarHBondContact O-N 2.99Å; T61-Q65 WeakPolarHBondContact O-CB 3.49Å; T61-Q65 WeakPolarHBondContact O-CG 3.13Å; T61-Q65 PolarHBondContact O-N 2.82Å |
| 62 | T | 96.7 | Very high | 95.8 | Very high | 85 Ų | 85 | 104.5 Ų | 104.5 | 52% | 0.521 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.5 | -47.1 | -179.3 | -61.3 | 0 | 0 | 0 | 0 | 109.5 | D60 L64 Q65 D66 | D60-T62 VanDerWaalsContact C-N 3.26Å; D60-T62 PolarHBondContact O-N 3.49Å; D60-T62 WeakPolarHBondContact OD1-CA 3.41Å; D60-T62 WeakPolarHBondContact OD1-CB 3.37Å; D60-T62 PolarHBondContact OD1-N 2.92Å; T62-L64 VanDerWaalsContact C-N 3.32Å; T62-L64 PolarHBondContact O-N 3.19Å; T62-Q65 PolarHBondContact O-N 3.17Å; T62-D66 PolarHBondContact O-N 2.89Å |
| 63 | L | 97.1 | Very high | 95.7 | Very high | 116 Ų | 116 | 104.4 Ų | 104.4 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.8 | -41.9 | 174.5 | -174.6 | 64.8 | 0 | 0 | 0 | 111.7 | D60 D66 A67 | D60-L63 HydrophobicContact CB-CB 3.98Å; D60-L63 PolarHBondContact O-N 3.27Å; D60-L63 PolarHBondContact OD1-N 3.23Å; L63-D66 PolarHBondContact O-N 2.87Å; L63-A67 WeakPolarHBondContact O-CB 3.49Å; L63-A67 PolarHBondContact O-N 2.87Å |
| 64 | L | 97.1 | Very high | 95.5 | Very high | 99 Ų | 99 | 102.1 Ų | 102.1 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.5 | -179 | 62.5 | 0 | 0 | 0 | 112.1 | V59 D60 T62 A67 T68 | V59-L64 HydrophobicContact CG1-CD2 4.24Å; D60-L64 WeakPolarHBondContact O-CB 3.35Å; D60-L64 PolarHBondContact O-N 3.29Å; T62-L64 VanDerWaalsContact C-N 3.32Å; T62-L64 PolarHBondContact O-N 3.19Å; L64-A67 PolarHBondContact O-N 2.78Å; L64-T68 WeakPolarHBondContact O-CB 3.48Å; L64-T68 PolarHBondContact O-N 2.79Å; L64-T68 PolarHBondContact O-OG1 2.86Å |
| 65 | Q | 97.3 | Very high | 95.3 | Very high | 102 Ų | 102 | 101.7 Ų | 101.7 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 177.2 | -74.5 | 170.5 | 22.3 | 0 | 0 | 111.9 | T61 T62 T68 R69 | T61-Q65 WeakPolarHBondContact O-CB 3.49Å; T61-Q65 WeakPolarHBondContact O-CG 3.13Å; T61-Q65 PolarHBondContact O-N 2.82Å; T62-Q65 PolarHBondContact O-N 3.17Å; Q65-T68 PolarHBondContact O-N 2.73Å; Q65-R69 PolarHBondContact O-N 2.88Å |
| 66 | D | 97.3 | Very high | 94.7 | Very high | 63 Ų | 63 | 101.4 Ų | 101.4 | 34% | 0.337 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 176 | -83 | -27.6 | 0 | 0 | 0 | 112.4 | T62 L63 T68 R69 K70 | T62-D66 PolarHBondContact O-N 2.89Å; L63-D66 PolarHBondContact O-N 2.87Å; D66-T68 VanDerWaalsContact C-N 3.33Å; D66-T68 PolarHBondContact O-N 3.28Å; D66-R69 PolarHBondContact O-N 3.49Å; D66-R69 IonicContact OD1-CZ 3.49Å; D66-R69 IonicContact OD1-NE 3.58Å; D66-R69 IonicContact OD1-NH2 2.64Å; D66-R69 PolarHBondContact OD1-NH2 3.29Å; D66-K70 WeakPolarHBondContact O-CG 3.32Å; D66-K70 PolarHBondContact O-N 3.1Å; D66-K70 VanDerWaalsContact O-N 3.09Å |
| 67 | A | 97 | Very high | 94 | Very high | 49 Ų | 49 | 101.4 Ų | 101.4 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L63 L64 R69 K70 E71 | L63-A67 WeakPolarHBondContact O-CB 3.49Å; L63-A67 PolarHBondContact O-N 2.87Å; L64-A67 PolarHBondContact O-N 2.78Å; A67-R69 PolarHBondContact O-N 2.92Å; A67-K70 PolarHBondContact O-N 3.03Å; A67-E71 WeakPolarHBondContact O-CB 3.47Å; A67-E71 PolarHBondContact O-N 3.28Å |
| 68 | T | 96.7 | Very high | 93 | Very high | 79 Ų | 79 | 101.7 Ų | 101.7 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | L64 Q65 D66 K70 E71 Y72 | L64-T68 WeakPolarHBondContact O-CB 3.48Å; L64-T68 PolarHBondContact O-N 2.79Å; L64-T68 PolarHBondContact O-OG1 2.86Å; Q65-T68 PolarHBondContact O-N 2.73Å; D66-T68 VanDerWaalsContact C-N 3.33Å; D66-T68 PolarHBondContact O-N 3.28Å; T68-K70 PolarHBondContact O-N 2.94Å; T68-E71 PolarHBondContact O-N 2.97Å; T68-Y72 WeakPolarHBondContact O-CB 3.1Å; T68-Y72 PolarHBondContact O-N 2.9Å |
| 69 | R | 96.1 | Very high | 91.5 | Very high | 130 Ų | 130 | 103.1 Ų | 103.1 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 176.3 | -76.1 | -175 | -76.5 | -92.6 | 5.9 | 111.7 | Q65 D66 A67 L73 | Q65-R69 PolarHBondContact O-N 2.88Å; D66-R69 PolarHBondContact O-N 3.49Å; D66-R69 IonicContact OD1-CZ 3.49Å; D66-R69 IonicContact OD1-NE 3.58Å; D66-R69 IonicContact OD1-NH2 2.64Å; D66-R69 PolarHBondContact OD1-NH2 3.29Å; A67-R69 PolarHBondContact O-N 2.92Å; R69-L73 WeakPolarHBondContact O-CG 3.38Å; R69-L73 PolarHBondContact O-N 3.11Å |
| 70 | K | 95.7 | Very high | 90 | Very high | 138 Ų | 138 | 106.5 Ų | 106.5 | 60% | 0.6 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.8 | -44.4 | 178.3 | -71.5 | 174.2 | -176.9 | 173.5 | 0 | 111.6 | D66 A67 T68 L73 Q74 | D66-K70 WeakPolarHBondContact O-CG 3.32Å; D66-K70 PolarHBondContact O-N 3.1Å; D66-K70 VanDerWaalsContact O-N 3.09Å; A67-K70 PolarHBondContact O-N 3.03Å; T68-K70 PolarHBondContact O-N 2.94Å; K70-L73 PolarHBondContact O-N 2.8Å; K70-Q74 WeakPolarHBondContact O-CG 3.44Å; K70-Q74 PolarHBondContact O-N 3.44Å; K70-Q74 VanDerWaalsContact O-N 3.09Å |
| 71 | E | 94.4 | Very high | 87.7 | Confident | 106 Ų | 106 | 111.3 Ų | 111.3 | 50% | 0.495 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.3 | -43.9 | 179.1 | -166.9 | -173.4 | 161 | 0 | 0 | 111.5 | A67 T68 L73 Q74 Q75 | A67-E71 WeakPolarHBondContact O-CB 3.47Å; A67-E71 PolarHBondContact O-N 3.28Å; T68-E71 PolarHBondContact O-N 2.97Å; E71-L73 PolarHBondContact O-N 3.09Å; E71-Q74 WeakPolarHBondContact O-CB 3.43Å; E71-Q74 PolarHBondContact O-N 2.86Å; E71-Q74 VanDerWaalsContact O-N 3.13Å; E71-Q75 HydrophobicContact CG-CG 4.48Å; E71-Q75 WeakPolarHBondContact O-CG 3.29Å; E71-Q75 PolarHBondContact O-N 3.16Å; E71-Q75 PolarHBondContact OE1-NE2 3.17Å |
| 72 | Y | 94.1 | Very high | 87.3 | Confident | 165 Ų | 165 | 112.7 Ų | 112.7 | 65% | 0.647 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57.4 | -45.8 | 176.9 | -179.2 | -97.8 | 0 | 0 | 0 | 112.4 | T68 Q74 Q75 S76 | T68-Y72 WeakPolarHBondContact O-CB 3.1Å; T68-Y72 PolarHBondContact O-N 2.9Å; Y72-Q74 VanDerWaalsContact C-N 3.33Å; Y72-Q74 PolarHBondContact O-N 3.36Å; Y72-Q75 PolarHBondContact O-N 3.44Å; Y72-S76 PolarHBondContact O-N 3.18Å; Y72-S76 PolarHBondContact O-OG 3.27Å |
| 73 | L | 93.2 | Very high | 86.8 | Confident | 106 Ų | 106 | 114.1 Ų | 114.1 | 56% | 0.555 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.7 | -34.9 | 176.8 | -67.5 | 171.3 | 0 | 0 | 0 | 112.6 | R69 K70 E71 S76 N77 | R69-L73 WeakPolarHBondContact O-CG 3.38Å; R69-L73 PolarHBondContact O-N 3.11Å; K70-L73 PolarHBondContact O-N 2.8Å; E71-L73 PolarHBondContact O-N 3.09Å; L73-S76 WeakPolarHBondContact CA-OG 3.46Å; L73-S76 PolarHBondContact O-OG 3.04Å; L73-N77 VanDerWaalsContact O-CG 3.27Å; L73-N77 PolarHBondContact O-N 3.15Å; L73-N77 VanDerWaalsContact O-N 3.16Å |
| 74 | Q | 91.5 | Very high | 86.2 | Confident | 117 Ų | 117 | 114 Ų | 114 | 55% | 0.547 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.8 | -40.1 | 175.1 | -70.4 | 173.6 | 16.9 | 0 | 0 | 111.7 | K70 E71 Y72 N77 K78 | K70-Q74 WeakPolarHBondContact O-CG 3.44Å; K70-Q74 PolarHBondContact O-N 3.44Å; K70-Q74 VanDerWaalsContact O-N 3.09Å; E71-Q74 WeakPolarHBondContact O-CB 3.43Å; E71-Q74 PolarHBondContact O-N 2.86Å; E71-Q74 VanDerWaalsContact O-N 3.13Å; Y72-Q74 VanDerWaalsContact C-N 3.33Å; Y72-Q74 PolarHBondContact O-N 3.36Å; Q74-N77 PolarHBondContact O-N 3.14Å; Q74-K78 WeakPolarHBondContact O-CG 3.41Å; Q74-K78 PolarHBondContact O-N 3.37Å; Q74-K78 VanDerWaalsContact O-N 3.07Å |
| 75 | Q | 88.3 | Confident | 85.5 | Confident | 91 Ų | 91 | 114.9 Ų | 114.9 | 43% | 0.425 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.5 | -37.6 | 176.4 | -70.5 | -174.6 | 30.2 | 0 | 0 | 111.8 | E71 Y72 K78 K79 | E71-Q75 HydrophobicContact CG-CG 4.48Å; E71-Q75 WeakPolarHBondContact O-CG 3.29Å; E71-Q75 PolarHBondContact O-N 3.16Å; E71-Q75 PolarHBondContact OE1-NE2 3.17Å; Y72-Q75 PolarHBondContact O-N 3.44Å; Q75-K78 PolarHBondContact O-N 3.1Å; Q75-K79 PolarHBondContact O-N 2.63Å |
| 76 | S | 83 | Confident | 84.8 | Confident | 43 Ų | 43 | 115.7 Ų | 115.7 | 30% | 0.301 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.8 | -42.3 | 174.6 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | Y72 L73 K78 K79 V80 | Y72-S76 PolarHBondContact O-N 3.18Å; Y72-S76 PolarHBondContact O-OG 3.27Å; L73-S76 WeakPolarHBondContact CA-OG 3.46Å; L73-S76 PolarHBondContact O-OG 3.04Å; S76-K78 VanDerWaalsContact C-N 3.32Å; S76-K78 PolarHBondContact O-N 3.2Å; S76-K79 PolarHBondContact O-N 3.3Å; S76-K79 VanDerWaalsContact O-N 3.14Å; S76-V80 WeakPolarHBondContact O-CG2 3.27Å; S76-V80 PolarHBondContact O-N 3.15Å |
| 77 | N | 79.5 | Confident | 84 | Confident | 110 Ų | 110 | 119.2 Ų | 119.2 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.9 | -34.5 | 178.3 | -70.6 | -8.4 | 0 | 0 | 0 | 112.6 | L73 Q74 K79 V80 | L73-N77 VanDerWaalsContact O-CG 3.27Å; L73-N77 PolarHBondContact O-N 3.15Å; L73-N77 VanDerWaalsContact O-N 3.16Å; Q74-N77 PolarHBondContact O-N 3.14Å; N77-K79 PolarHBondContact O-N 3.3Å; N77-V80 PolarHBondContact O-N 3.38Å |
| 78 | K | 75.1 | Confident | 83 | Confident | 162 Ų | 162 | 124.2 Ų | 124.2 | 70% | 0.704 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67 | -21 | 174.4 | -76.4 | -178.5 | -178.4 | 179 | 0 | 114 | Q74 Q75 S76 | Q74-K78 WeakPolarHBondContact O-CG 3.41Å; Q74-K78 PolarHBondContact O-N 3.37Å; Q74-K78 VanDerWaalsContact O-N 3.07Å; Q75-K78 PolarHBondContact O-N 3.1Å; S76-K78 VanDerWaalsContact C-N 3.32Å; S76-K78 PolarHBondContact O-N 3.2Å |
| 79 | K | 63.3 | Low | 82 | Confident | 174 Ų | 174 | 127.7 Ų | 127.7 | 76% | 0.757 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -88.2 | -13.8 | 177.3 | -70.2 | -178.3 | -179.2 | -178.6 | 0 | 113.2 | Q75 S76 N77 | Q75-K79 PolarHBondContact O-N 2.63Å; S76-K79 PolarHBondContact O-N 3.3Å; S76-K79 VanDerWaalsContact O-N 3.14Å; N77-K79 PolarHBondContact O-N 3.3Å |
| 80 | V | 62.3 | Low | 80.8 | Confident | 120 Ų | 120 | 127.5 Ų | 127.5 | 73% | 0.727 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -94.3 | -13.7 | -176.9 | 176.7 | 0 | 0 | 0 | 0 | 112 | S76 N77 | S76-V80 WeakPolarHBondContact O-CG2 3.27Å; S76-V80 PolarHBondContact O-N 3.15Å; N77-V80 PolarHBondContact O-N 3.38Å |
| 81 | N | 49.6 | Very low | 79.5 | Confident | 198 Ų | 198 | 126.5 Ų | 126.5 | 100% | 1.059 | 62% | 0.619 | S | S | * | * | trans | -106.2 | 0 | 169.5 | -68.1 | -19.5 | 0 | 0 | 0 | 110.8 |
Retrieved 81 of 81 residues in 48.8 ms
(Link to these results)