| 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 | 81.6 | Confident | 94 | Very high | 165 Ų | 165 | 95.1 Ų | 95.1 | 81% | 0.813 | 48% | 0.481 | S | S | * | . | 0 | 138.7 | 0 | -71.3 | -158.1 | 78.1 | 0 | 0 | 109.5 | H31 | M1-H31 WeakPolarHBondContact CB-CD2 3.46Å; M1-H31 WeakPolarHBondContact CE-CE1 3.08Å; M1-H31 WeakPolarHBondContact CE-NE2 3.24Å; M1-H31 HydrophobicContact SD-CB 3.84Å; M1-H31 PolarHBondContact SD-CD2 3.11Å; M1-H31 PolarHBondContact SD-CE1 3.25Å; M1-H31 PolarHBondContact SD-ND1 3.23Å; M1-H31 PolarHBondContact SD-NE2 3.33Å | |||
| 2 | F | 92.5 | Very high | 94.2 | Very high | 169 Ų | 169 | 95 Ų | 95 | 74% | 0.741 | 48% | 0.483 | S | S | * | . | trans | -84.6 | -30.5 | -174 | -65.5 | -69.6 | 0 | 0 | 0 | 113.3 | Q4 L17 | F2-Q4 WeakPolarHBondContact O-CG 3.44Å; F2-Q4 PolarHBondContact O-N 3.2Å; F2-Q4 PolarHBondContact O-NE2 3.4Å; F2-Q4 VanDerWaalsContact O-NE2 3.15Å; F2-L17 HydrophobicContact CB-CD2 4.09Å | ||
| 3 | L | 97 | Very high | 94.3 | Very high | 64 Ų | 64 | 98.1 Ų | 98.1 | 34% | 0.335 | 49% | 0.485 | S | S | . | . | trans | -62.6 | 121.7 | -176.9 | -165.6 | 67.5 | 0 | 0 | 0 | 111.3 | Y15 L17 A30 H31 | L3-Y15 HydrophobicContact CD1-CD1 4.31Å; L3-Y15 HydrophobicContact CD2-CD1 3.99Å; L3-Y15 HydrophobicContact CD2-CE1 4.31Å; L3-Y15 HydrophobicContact CG-CD1 4.03Å; L3-L17 HydrophobicContact CD1-CD2 4.38Å; L3-A30 HydrophobicContact CB-CB 4.06Å; L3-A30 HydrophobicContact CD2-CB 3.8Å; L3-A30 HydrophobicContact CG-CB 3.72Å; L3-A30 WeakPolarHBondContact O-CB 3.42Å; L3-A30 PolarHBondContact O-N 3.26Å; L3-H31 WeakPolarHBondContact CB-NE2 3.45Å | ||
| 4 | Q | 97.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 94.6 Ų | 94.6 | 5% | 0.047 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 167.6 | 174.3 | -50.6 | -60.7 | -50.6 | 0 | 0 | 109.8 | F2 Y15 T16 K19 T27 S28 | F2-Q4 WeakPolarHBondContact O-CG 3.44Å; F2-Q4 PolarHBondContact O-N 3.2Å; F2-Q4 PolarHBondContact O-NE2 3.4Å; F2-Q4 VanDerWaalsContact O-NE2 3.15Å; Q4-Y15 WeakPolarHBondContact O-CA 3.41Å; Q4-T16 CarbonylContact C-O 3.46Å; Q4-T16 WeakPolarHBondContact CA-O 3.03Å; Q4-T16 HydrophobicContact CB-CG2 4.12Å; Q4-T16 WeakPolarHBondContact CB-O 3.41Å; Q4-T16 PolarHBondContact N-O 2.9Å; Q4-T16 PolarHBondContact O-N 3.06Å; Q4-T16 VanDerWaalsContact O-O 3.08Å; Q4-K19 HydrophobicContact CG-CD 4.36Å; Q4-T27 HydrophobicContact CB-CG2 4.47Å; Q4-T27 WeakPolarHBondContact CB-OG1 3.21Å; Q4-T27 WeakPolarHBondContact CG-OG1 3.34Å; Q4-S28 CarbonylContact C-O 3.54Å; Q4-S28 WeakPolarHBondContact CA-O 3.17Å; Q4-S28 WeakPolarHBondContact CB-O 3.43Å; Q4-S28 VanDerWaalsContact OE1-C 3.22Å; Q4-S28 PolarHBondContact OE1-O 3.01Å |
| 5 | Y | 97.1 | Very high | 94.7 | Very high | 46 Ų | 46 | 96.9 Ų | 96.9 | 18% | 0.18 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 162.8 | 169.4 | 79.9 | -74.8 | 0 | 0 | 0 | 111.4 | L7 R13 V14 S28 P29 A30 | Y5-L7 HydrophobicContact CD2-CD2 4.35Å; Y5-L7 HydrophobicContact CE2-CD2 3.97Å; Y5-L7 HydrophobicContact CE2-CG 4.39Å; Y5-R13 HydrophobicContact CD2-CB 3.87Å; Y5-R13 HydrophobicContact CD2-CG 3.58Å; Y5-R13 HydrophobicContact CE2-CG 3.84Å; Y5-R13 HydrophobicContact CG-CB 4.45Å; Y5-R13 HydrophobicContact CG-CG 4.43Å; Y5-V14 WeakPolarHBondContact CA-O 3.43Å; Y5-S28 WeakPolarHBondContact CD1-O 3.4Å; Y5-S28 PolarHBondContact N-O 3.21Å; Y5-S28 PolarHBondContact O-N 3.45Å; Y5-P29 WeakPolarHBondContact CE1-O 3.48Å; Y5-A30 HydrophobicContact CD1-CB 4.3Å |
| 6 | Y | 97 | Very high | 94.8 | Very high | 62 Ų | 62 | 92.7 Ų | 92.7 | 24% | 0.243 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 167.2 | 163.1 | 63.4 | -82.8 | 0 | 0 | 0 | 109.2 | R13 V14 T16 T21 | Y6-R13 WeakPolarHBondContact O-CA 3.44Å; Y6-V14 HydrophobicContact CD1-CB 4.25Å; Y6-V14 HydrophobicContact CD2-CB 4.47Å; Y6-V14 HydrophobicContact CE1-CB 3.75Å; Y6-V14 HydrophobicContact CE1-CG1 3.71Å; Y6-V14 HydrophobicContact CE2-CB 4Å; Y6-V14 HydrophobicContact CE2-CG1 4.46Å; Y6-V14 HydrophobicContact CE2-CG2 4.24Å; Y6-V14 PolarHBondContact N-O 3.12Å; Y6-V14 VanDerWaalsContact N-O 3.12Å; Y6-V14 PolarHBondContact O-N 3.16Å; Y6-V14 WeakPolarHBondContact OH-CG1 3.47Å; Y6-T16 HydrophobicContact CD1-CG2 4.32Å; Y6-T21 VanDerWaalsContact CB-CG2 3.49Å; Y6-T21 HydrophobicContact CD1-CG2 3.99Å; Y6-T21 HydrophobicContact CD2-CG2 4.1Å; Y6-T21 HydrophobicContact CG-CG2 3.6Å |
| 7 | L | 96.3 | Very high | 94.9 | Very high | 104 Ų | 104 | 94.5 Ų | 94.5 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.1 | 176.3 | -61.7 | 177.6 | 0 | 0 | 0 | 109.1 | Y5 D12 R13 | Y5-L7 HydrophobicContact CD2-CD2 4.35Å; Y5-L7 HydrophobicContact CE2-CD2 3.97Å; Y5-L7 HydrophobicContact CE2-CG 4.39Å; L7-D12 WeakPolarHBondContact CA-O 3.49Å; L7-R13 HydrophobicContact CD2-CG 4.01Å |
| 8 | N | 93.1 | Very high | 94.9 | Very high | 52 Ų | 52 | 97.7 Ų | 97.7 | 28% | 0.278 | 48% | 0.478 | S | S | . | . | trans | -77.3 | 179 | 169.2 | 70.4 | 2.9 | 0 | 0 | 0 | 110.4 | N10 G11 D12 V14 | N8-N10 PolarHBondContact O-N 3.4Å; N8-N10 WeakPolarHBondContact OD1-CA 3.43Å; N8-N10 WeakPolarHBondContact OD1-CB 3.36Å; N8-N10 PolarHBondContact OD1-N 3.25Å; N8-G11 PolarHBondContact O-N 3.47Å; N8-G11 PolarHBondContact OD1-N 2.98Å; N8-D12 PolarHBondContact N-O 2.99Å; N8-D12 PolarHBondContact ND2-OD2 3.42Å; N8-D12 WeakPolarHBondContact OD1-CA 3.21Å; N8-D12 PolarHBondContact OD1-N 2.95Å; N8-D12 PolarHBondContact OD1-O 2.75Å; N8-V14 HydrophobicContact CB-CG2 4.06Å | ||
| 9 | E | 93.9 | Very high | 94.9 | Very high | 194 Ų | 194 | 99.7 Ų | 99.7 | 91% | 0.907 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.7 | 177.7 | -61.8 | 178.1 | 176.4 | 0 | 0 | 113.2 | G11 | E9-G11 VanDerWaalsContact C-N 3.3Š|
| 10 | N | 94.6 | Very high | 95 | Very high | 132 Ų | 132 | 97 Ų | 97 | 71% | 0.706 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -7.3 | 177 | -60.3 | -22.7 | 0 | 0 | 0 | 113.1 | N8 | N8-N10 PolarHBondContact O-N 3.4Å; N8-N10 WeakPolarHBondContact OD1-CA 3.43Å; N8-N10 WeakPolarHBondContact OD1-CB 3.36Å; N8-N10 PolarHBondContact OD1-N 3.25Å |
| 11 | G | 93.8 | Very high | 94.9 | Very high | 48 Ų | 48 | 93.1 Ų | 93.1 | 50% | 0.495 | 46% | 0.46 | S | S | . | . | S | Bend | trans | 82.4 | 9.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N8 E9 | N8-G11 PolarHBondContact O-N 3.47Å; N8-G11 PolarHBondContact OD1-N 2.98Å; E9-G11 VanDerWaalsContact C-N 3.3Å |
| 12 | D | 96.1 | Very high | 95.5 | Very high | 94 Ų | 94 | 90.7 Ų | 90.7 | 50% | 0.503 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 150.3 | 175 | -54.2 | -53 | 0 | 0 | 0 | 111.7 | L7 N8 V14 | L7-D12 WeakPolarHBondContact CA-O 3.49Å; N8-D12 PolarHBondContact N-O 2.99Å; N8-D12 PolarHBondContact ND2-OD2 3.42Å; N8-D12 WeakPolarHBondContact OD1-CA 3.21Å; N8-D12 PolarHBondContact OD1-N 2.95Å; N8-D12 PolarHBondContact OD1-O 2.75Å; D12-V14 PolarHBondContact O-N 3.46Å |
| 13 | R | 95.9 | Very high | 95.5 | Very high | 135 Ų | 135 | 89.8 Ų | 89.8 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 119.2 | 176.5 | -61.2 | -173.9 | 179.3 | 178.3 | -0.7 | 110.7 | Y5 Y6 L7 Y15 | Y5-R13 HydrophobicContact CD2-CB 3.87Å; Y5-R13 HydrophobicContact CD2-CG 3.58Å; Y5-R13 HydrophobicContact CE2-CG 3.84Å; Y5-R13 HydrophobicContact CG-CB 4.45Å; Y5-R13 HydrophobicContact CG-CG 4.43Å; Y6-R13 WeakPolarHBondContact O-CA 3.44Å; L7-R13 HydrophobicContact CD2-CG 4.01Å; R13-Y15 HydrophobicContact CB-CE2 4.24Å |
| 14 | V | 96.6 | Very high | 95.4 | Very high | 50 Ų | 50 | 89.4 Ų | 89.4 | 30% | 0.303 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116.6 | 168.3 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | Y5 Y6 N8 D12 | Y5-V14 WeakPolarHBondContact CA-O 3.43Å; Y6-V14 HydrophobicContact CD1-CB 4.25Å; Y6-V14 HydrophobicContact CD2-CB 4.47Å; Y6-V14 HydrophobicContact CE1-CB 3.75Å; Y6-V14 HydrophobicContact CE1-CG1 3.71Å; Y6-V14 HydrophobicContact CE2-CB 4Å; Y6-V14 HydrophobicContact CE2-CG1 4.46Å; Y6-V14 HydrophobicContact CE2-CG2 4.24Å; Y6-V14 PolarHBondContact N-O 3.12Å; Y6-V14 VanDerWaalsContact N-O 3.12Å; Y6-V14 PolarHBondContact O-N 3.16Å; Y6-V14 WeakPolarHBondContact OH-CG1 3.47Å; N8-V14 HydrophobicContact CB-CG2 4.06Å; D12-V14 PolarHBondContact O-N 3.46Å |
| 15 | Y | 97.1 | Very high | 95.2 | Very high | 128 Ų | 128 | 94.2 Ų | 94.2 | 50% | 0.502 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 143.5 | -176.7 | -67.1 | -77.9 | 0 | 0 | 0 | 112.4 | L3 Q4 R13 A30 | L3-Y15 HydrophobicContact CD1-CD1 4.31Å; L3-Y15 HydrophobicContact CD2-CD1 3.99Å; L3-Y15 HydrophobicContact CD2-CE1 4.31Å; L3-Y15 HydrophobicContact CG-CD1 4.03Å; Q4-Y15 WeakPolarHBondContact O-CA 3.41Å; R13-Y15 HydrophobicContact CB-CE2 4.24Å; Y15-A30 HydrophobicContact CD1-CB 4.08Å; Y15-A30 HydrophobicContact CE1-CB 3.83Å |
| 16 | T | 96.5 | Very high | 95.2 | Very high | 30 Ų | 30 | 97.5 Ų | 97.5 | 18% | 0.184 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 162.3 | -179.6 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | Q4 Y6 K18 T27 | Q4-T16 CarbonylContact C-O 3.46Å; Q4-T16 WeakPolarHBondContact CA-O 3.03Å; Q4-T16 HydrophobicContact CB-CG2 4.12Å; Q4-T16 WeakPolarHBondContact CB-O 3.41Å; Q4-T16 PolarHBondContact N-O 2.9Å; Q4-T16 PolarHBondContact O-N 3.06Å; Q4-T16 VanDerWaalsContact O-O 3.08Å; Y6-T16 HydrophobicContact CD1-CG2 4.32Å; T16-K18 PolarHBondContact OG1-N 2.92Å; T16-K18 VanDerWaalsContact OG1-N 3.1Å; T16-T27 HydrophobicContact CG2-CG2 3.87Å |
| 17 | L | 96.3 | Very high | 95.1 | Very high | 124 Ų | 124 | 95.3 Ų | 95.3 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -99.7 | -10.6 | 168.9 | -61.3 | 177.5 | 0 | 0 | 0 | 112.2 | F2 L3 | F2-L17 HydrophobicContact CB-CD2 4.09Å; L3-L17 HydrophobicContact CD1-CD2 4.38Å |
| 18 | K | 95.9 | Very high | 95.1 | Very high | 152 Ų | 152 | 93.1 Ų | 93.1 | 66% | 0.661 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -71.6 | 152.1 | 177.8 | -61.4 | -176.6 | 179.9 | -179.8 | 0 | 110.1 | T16 T27 | T16-K18 PolarHBondContact OG1-N 2.92Å; T16-K18 VanDerWaalsContact OG1-N 3.1Å; K18-T27 PolarHBondContact O-OG1 3Å; K18-T27 VanDerWaalsContact O-OG1 3.11Å |
| 19 | K | 94.8 | Very high | 95.3 | Very high | 135 Ų | 135 | 94.5 Ų | 94.5 | 59% | 0.587 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -87.4 | -11.3 | 176.8 | -63.5 | -58.8 | -174.2 | 177.1 | 0 | 114 | Q4 T27 | Q4-K19 HydrophobicContact CG-CD 4.36Å; K19-T27 WeakPolarHBondContact CA-OG1 3.49Å; K19-T27 PolarHBondContact O-N 2.89Å; K19-T27 PolarHBondContact O-OG1 2.77Å |
| 20 | A | 96.1 | Very high | 95.4 | Very high | 45 Ų | 45 | 86 Ų | 86 | 37% | 0.372 | 48% | 0.477 | S | S | . | . | B | Isolated β-bridge | trans | -126.3 | 146.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q25 | A20-Q25 CarbonylContact C-O 3.41Å; A20-Q25 WeakPolarHBondContact CA-O 3.46Å |
| 21 | T | 93.9 | Very high | 95.4 | Very high | 16 Ų | 16 | 82.7 Ų | 82.7 | 10% | 0.098 | 46% | 0.458 | C | S | . | . | trans | -70.6 | 168.3 | 170.1 | 67 | 0 | 0 | 0 | 0 | 110.3 | Y6 E23 G24 Q25 T27 | Y6-T21 VanDerWaalsContact CB-CG2 3.49Å; Y6-T21 HydrophobicContact CD1-CG2 3.99Å; Y6-T21 HydrophobicContact CD2-CG2 4.1Å; Y6-T21 HydrophobicContact CG-CG2 3.6Å; T21-E23 PolarHBondContact O-N 3.1Å; T21-E23 VanDerWaalsContact O-N 3.16Å; T21-E23 PolarHBondContact OG1-N 3.39Å; T21-G24 PolarHBondContact O-N 3.04Å; T21-G24 PolarHBondContact OG1-N 3.03Å; T21-Q25 HydrophobicContact CG2-CB 4.24Å; T21-Q25 WeakPolarHBondContact CG2-O 3.45Å; T21-Q25 PolarHBondContact N-O 2.92Å; T21-Q25 WeakPolarHBondContact OG1-CB 3.35Å; T21-Q25 PolarHBondContact OG1-N 3.47Å; T21-Q25 PolarHBondContact OG1-O 2.81Å; T21-T27 HydrophobicContact CG2-CG2 4.06Å | ||
| 22 | P | 93.3 | Very high | 95.5 | Very high | 115 Ų | 115 | 86.1 Ų | 86.1 | 75% | 0.747 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28.5 | 172 | -26.9 | 36.6 | 0 | 0 | 0 | 113.9 | G24 | P22-G24 VanDerWaalsContact C-N 3.32Š|
| 23 | E | 93 | Very high | 95.3 | Very high | 149 Ų | 149 | 86.4 Ų | 86.4 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 0 | 176.8 | -61.7 | 174.1 | -168.7 | 0 | 0 | 113.7 | T21 Q25 | T21-E23 PolarHBondContact O-N 3.1Å; T21-E23 VanDerWaalsContact O-N 3.16Å; T21-E23 PolarHBondContact OG1-N 3.39Å; E23-Q25 PolarHBondContact OE2-NE2 3.41Å |
| 24 | G | 93.8 | Very high | 95.3 | Very high | 57 Ų | 57 | 89.6 Ų | 89.6 | 59% | 0.588 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 84.7 | 2.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | T21 P22 | T21-G24 PolarHBondContact O-N 3.04Å; T21-G24 PolarHBondContact OG1-N 3.03Å; P22-G24 VanDerWaalsContact C-N 3.32Å |
| 25 | Q | 94 | Very high | 95.2 | Very high | 111 Ų | 111 | 95.3 Ų | 95.3 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 149.6 | 176.7 | -59.2 | 179.3 | 23 | 0 | 0 | 111.1 | A20 T21 E23 | A20-Q25 CarbonylContact C-O 3.41Å; A20-Q25 WeakPolarHBondContact CA-O 3.46Å; T21-Q25 HydrophobicContact CG2-CB 4.24Å; T21-Q25 WeakPolarHBondContact CG2-O 3.45Å; T21-Q25 PolarHBondContact N-O 2.92Å; T21-Q25 WeakPolarHBondContact OG1-CB 3.35Å; T21-Q25 PolarHBondContact OG1-N 3.47Å; T21-Q25 PolarHBondContact OG1-O 2.81Å; E23-Q25 PolarHBondContact OE2-NE2 3.41Å |
| 26 | P | 96.3 | Very high | 95 | Very high | 115 Ų | 115 | 91 Ų | 91 | 75% | 0.747 | 51% | 0.508 | S | S | * | . | B | Isolated β-bridge | trans | -68 | 136.2 | 179.3 | 27.7 | -34.4 | 0 | 0 | 0 | 112 | ||
| 27 | T | 96.6 | Very high | 95 | Very high | 16 Ų | 16 | 95.2 Ų | 95.2 | 10% | 0.098 | 54% | 0.536 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 154.1 | 175.4 | 58.8 | 0 | 0 | 0 | 0 | 112 | Q4 T16 K18 K19 T21 | Q4-T27 HydrophobicContact CB-CG2 4.47Å; Q4-T27 WeakPolarHBondContact CB-OG1 3.21Å; Q4-T27 WeakPolarHBondContact CG-OG1 3.34Å; T16-T27 HydrophobicContact CG2-CG2 3.87Å; K18-T27 PolarHBondContact O-OG1 3Å; K18-T27 VanDerWaalsContact O-OG1 3.11Å; K19-T27 WeakPolarHBondContact CA-OG1 3.49Å; K19-T27 PolarHBondContact O-N 2.89Å; K19-T27 PolarHBondContact O-OG1 2.77Å; T21-T27 HydrophobicContact CG2-CG2 4.06Å |
| 28 | S | 96.1 | Very high | 95 | Very high | 58 Ų | 58 | 94.9 Ų | 94.9 | 41% | 0.406 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 149.7 | 177.1 | -70.6 | 0 | 0 | 0 | 0 | 112.6 | Q4 Y5 A30 | Q4-S28 CarbonylContact C-O 3.54Å; Q4-S28 WeakPolarHBondContact CA-O 3.17Å; Q4-S28 WeakPolarHBondContact CB-O 3.43Å; Q4-S28 VanDerWaalsContact OE1-C 3.22Å; Q4-S28 PolarHBondContact OE1-O 3.01Å; Y5-S28 WeakPolarHBondContact CD1-O 3.4Å; Y5-S28 PolarHBondContact N-O 3.21Å; Y5-S28 PolarHBondContact O-N 3.45Å; S28-A30 PolarHBondContact O-N 3.19Å |
| 29 | P | 96.3 | Very high | 94.9 | Very high | 81 Ų | 81 | 89.7 Ų | 89.7 | 53% | 0.526 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 132.9 | 175.4 | 27.3 | -33.5 | 0 | 0 | 0 | 110.8 | Y5 H31 | Y5-P29 WeakPolarHBondContact CE1-O 3.48Å; P29-H31 PolarHBondContact O-N 2.78Å |
| 30 | A | 96.4 | Very high | 95 | Very high | 16 Ų | 16 | 91 Ų | 91 | 13% | 0.132 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -69.9 | -13.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L3 Y5 Y15 S28 | L3-A30 HydrophobicContact CB-CB 4.06Å; L3-A30 HydrophobicContact CD2-CB 3.8Å; L3-A30 HydrophobicContact CG-CB 3.72Å; L3-A30 WeakPolarHBondContact O-CB 3.42Å; L3-A30 PolarHBondContact O-N 3.26Å; Y5-A30 HydrophobicContact CD1-CB 4.3Å; Y15-A30 HydrophobicContact CD1-CB 4.08Å; Y15-A30 HydrophobicContact CE1-CB 3.83Å; S28-A30 PolarHBondContact O-N 3.19Å |
| 31 | H | 94.5 | Very high | 95 | Very high | 62 Ų | 62 | 95.8 Ų | 95.8 | 29% | 0.287 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -103.3 | 143.5 | -171.4 | -55 | -75.2 | 0 | 0 | 0 | 111.2 | M1 L3 P29 | M1-H31 WeakPolarHBondContact CB-CD2 3.46Å; M1-H31 WeakPolarHBondContact CE-CE1 3.08Å; M1-H31 WeakPolarHBondContact CE-NE2 3.24Å; M1-H31 HydrophobicContact SD-CB 3.84Å; M1-H31 PolarHBondContact SD-CD2 3.11Å; M1-H31 PolarHBondContact SD-CE1 3.25Å; M1-H31 PolarHBondContact SD-ND1 3.23Å; M1-H31 PolarHBondContact SD-NE2 3.33Å; L3-H31 WeakPolarHBondContact CB-NE2 3.45Å; P29-H31 PolarHBondContact O-N 2.78Å |
| 32 | P | 95.4 | Very high | 95.1 | Very high | 120 Ų | 120 | 97.5 Ų | 97.5 | 78% | 0.779 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 157 | 177.3 | 29.2 | -35.2 | 0 | 0 | 0 | 111.2 | ||
| 33 | A | 93.4 | Very high | 95.3 | Very high | 99 Ų | 99 | 100.2 Ų | 100.2 | 82% | 0.818 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 143.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F35 | A33-F35 PolarHBondContact O-N 3.19Š|
| 34 | R | 94.3 | Very high | 95.5 | Very high | 203 Ų | 203 | 97.6 Ų | 97.6 | 77% | 0.766 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 128.9 | -179.7 | -173.6 | -179.4 | 66.3 | 72.2 | -1.7 | 110.7 | S36 | R34-S36 VanDerWaalsContact CZ-OG 3.26Å; R34-S36 PolarHBondContact NH1-OG 3.35Å; R34-S36 PolarHBondContact NH2-OG 3.3Å; R34-S36 VanDerWaalsContact NH2-OG 3.13Å |
| 35 | F | 94.8 | Very high | 95.6 | Very high | 169 Ų | 169 | 100.6 Ų | 100.6 | 74% | 0.741 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 136.8 | 170.9 | -179.2 | -106.4 | 0 | 0 | 0 | 110.8 | A33 P37 | A33-F35 PolarHBondContact O-N 3.19Å; F35-P37 HydrophobicContact CE1-CG 4.07Å |
| 36 | S | 94.1 | Very high | 95.7 | Very high | 37 Ų | 37 | 98.8 Ų | 98.8 | 26% | 0.259 | 52% | 0.518 | S | S | . | . | trans | -129 | 124.6 | 172.2 | -60.9 | 0 | 0 | 0 | 0 | 108.2 | R34 D38 D39 | R34-S36 VanDerWaalsContact CZ-OG 3.26Å; R34-S36 PolarHBondContact NH1-OG 3.35Å; R34-S36 PolarHBondContact NH2-OG 3.3Å; R34-S36 VanDerWaalsContact NH2-OG 3.13Å; S36-D38 VanDerWaalsContact C-N 3.28Å; S36-D38 PolarHBondContact O-N 3.15Å; S36-D39 PolarHBondContact O-N 3.35Å | ||
| 37 | P | 95.9 | Very high | 95.7 | Very high | 120 Ų | 120 | 97.6 Ų | 97.6 | 78% | 0.779 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -59.4 | -37.2 | 178.4 | -26.3 | 34.7 | 0 | 0 | 0 | 113.8 | F35 | F35-P37 HydrophobicContact CE1-CG 4.07Š|
| 38 | D | 96 | Very high | 95.7 | Very high | 117 Ų | 117 | 99.7 Ų | 99.7 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -71.8 | -30.7 | -178.3 | -180 | 47.4 | 0 | 0 | 0 | 113.6 | S36 K40 | S36-D38 VanDerWaalsContact C-N 3.28Å; S36-D38 PolarHBondContact O-N 3.15Å; D38-K40 PolarHBondContact O-N 3.35Å; D38-K40 VanDerWaalsContact O-N 3.08Å; D38-K40 WeakPolarHBondContact OD2-CE 3.45Å; D38-K40 WeakPolarHBondContact OD2-CG 3.38Å |
| 39 | D | 94.8 | Very high | 95.7 | Very high | 42 Ų | 42 | 101.3 Ų | 101.3 | 23% | 0.225 | 52% | 0.517 | C | S | . | . | trans | 23.5 | 68.5 | 179.7 | -174.6 | 24.8 | 0 | 0 | 0 | 116 | S36 F41 S42 R45 | S36-D39 PolarHBondContact O-N 3.35Å; D39-F41 PolarHBondContact O-N 2.84Å; D39-S42 VanDerWaalsContact O-CB 3.23Å; D39-S42 WeakPolarHBondContact O-CB 3.5Å; D39-S42 PolarHBondContact O-N 3.12Å; D39-S42 PolarHBondContact O-OG 3.34Å; D39-S42 VanDerWaalsContact O-OG 3.07Å; D39-S42 PolarHBondContact OD1-N 3.48Å; D39-S42 WeakPolarHBondContact OD2-CA 3.45Å; D39-S42 VanDerWaalsContact OD2-CB 3.25Å; D39-S42 WeakPolarHBondContact OD2-CB 3.27Å; D39-R45 VanDerWaalsContact CG-NH1 3.27Å; D39-R45 IonicContact OD1-NH1 3.18Å; D39-R45 PolarHBondContact OD1-NH1 3.44Å; D39-R45 IonicContact OD2-CZ 3.07Å; D39-R45 IonicContact OD2-NH1 2.65Å; D39-R45 PolarHBondContact OD2-NH1 2.99Å; D39-R45 IonicContact OD2-NH2 2.64Å; D39-R45 PolarHBondContact OD2-NH2 3.26Å | ||
| 40 | K | 96.3 | Very high | 95.8 | Very high | 163 Ų | 163 | 103.5 Ų | 103.5 | 71% | 0.709 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -23.1 | -178.3 | -60.4 | -175.6 | 179.7 | -177.9 | 0 | 114.3 | D38 | D38-K40 PolarHBondContact O-N 3.35Å; D38-K40 VanDerWaalsContact O-N 3.08Å; D38-K40 WeakPolarHBondContact OD2-CE 3.45Å; D38-K40 WeakPolarHBondContact OD2-CG 3.38Å |
| 41 | F | 96 | Very high | 95.8 | Very high | 145 Ų | 145 | 111.8 Ų | 111.8 | 64% | 0.636 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 12 | -178.4 | -57.7 | -72.8 | 0 | 0 | 0 | 113.6 | D39 R43 H44 R45 | D39-F41 PolarHBondContact O-N 2.84Å; F41-R43 VanDerWaalsContact C-N 3.31Å; F41-R43 PolarHBondContact O-N 3.32Å; F41-H44 AromaticContact CD1-ND1 3.88Å; F41-H44 PolarHBondContact O-N 2.99Å; F41-R45 PolarHBondContact O-N 3.13Å |
| 42 | S | 96 | Very high | 95.9 | Very high | 53 Ų | 53 | 115.8 Ų | 115.8 | 37% | 0.371 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -48.9 | -49.2 | 176.5 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | D39 H44 R45 V46 | D39-S42 VanDerWaalsContact O-CB 3.23Å; D39-S42 WeakPolarHBondContact O-CB 3.5Å; D39-S42 PolarHBondContact O-N 3.12Å; D39-S42 PolarHBondContact O-OG 3.34Å; D39-S42 VanDerWaalsContact O-OG 3.07Å; D39-S42 PolarHBondContact OD1-N 3.48Å; D39-S42 WeakPolarHBondContact OD2-CA 3.45Å; D39-S42 VanDerWaalsContact OD2-CB 3.25Å; D39-S42 WeakPolarHBondContact OD2-CB 3.27Å; S42-H44 VanDerWaalsContact C-N 3.34Å; S42-H44 PolarHBondContact O-N 2.64Å; S42-R45 PolarHBondContact O-N 2.83Å; S42-V46 WeakPolarHBondContact O-CG2 3.42Å; S42-V46 PolarHBondContact O-N 3.17Å |
| 43 | R | 96.6 | Very high | 95.8 | Very high | 172 Ų | 172 | 111.7 Ų | 111.7 | 65% | 0.649 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -55 | -46.9 | 177.2 | -173.6 | 178.5 | 72.7 | 170.4 | 1.3 | 112.1 | F41 V46 L47 | F41-R43 VanDerWaalsContact C-N 3.31Å; F41-R43 PolarHBondContact O-N 3.32Å; R43-V46 PolarHBondContact O-N 3.41Å; R43-L47 HydrophobicContact CG-CD1 4.03Å; R43-L47 WeakPolarHBondContact O-CB 3.28Å; R43-L47 VanDerWaalsContact O-CG 3.26Å; R43-L47 WeakPolarHBondContact O-CG 3.25Å; R43-L47 PolarHBondContact O-N 3.28Å |
| 44 | H | 97.6 | Very high | 95.9 | Very high | 93 Ų | 93 | 111.5 Ų | 111.5 | 43% | 0.431 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | -179.1 | -59.2 | 92.4 | 0 | 0 | 0 | 111.2 | F41 S42 V46 L47 V48 | F41-H44 AromaticContact CD1-ND1 3.88Å; F41-H44 PolarHBondContact O-N 2.99Å; S42-H44 VanDerWaalsContact C-N 3.34Å; S42-H44 PolarHBondContact O-N 2.64Å; H44-V46 PolarHBondContact O-N 3.37Å; H44-L47 PolarHBondContact O-N 3.21Å; H44-V48 VanDerWaalsContact O-CG2 3.28Å; H44-V48 WeakPolarHBondContact O-CG2 3.37Å; H44-V48 PolarHBondContact O-N 3.01Å |
| 45 | R | 95.9 | Very high | 95.9 | Very high | 120 Ų | 120 | 103.6 Ų | 103.6 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 177.4 | -173.8 | 176.6 | 64.7 | -109 | -1.9 | 111.8 | D39 F41 S42 K49 | D39-R45 VanDerWaalsContact CG-NH1 3.27Å; D39-R45 IonicContact OD1-NH1 3.18Å; D39-R45 PolarHBondContact OD1-NH1 3.44Å; D39-R45 IonicContact OD2-CZ 3.07Å; D39-R45 IonicContact OD2-NH1 2.65Å; D39-R45 PolarHBondContact OD2-NH1 2.99Å; D39-R45 IonicContact OD2-NH2 2.64Å; D39-R45 PolarHBondContact OD2-NH2 3.26Å; F41-R45 PolarHBondContact O-N 3.13Å; S42-R45 PolarHBondContact O-N 2.83Å; R45-K49 WeakPolarHBondContact O-CG 3.42Å; R45-K49 PolarHBondContact O-N 2.9Å; R45-K49 VanDerWaalsContact O-N 3.13Å |
| 46 | V | 95.9 | Very high | 95.7 | Very high | 73 Ų | 73 | 102.6 Ų | 102.6 | 44% | 0.442 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 178.7 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | S42 R43 H44 V48 K49 K50 | S42-V46 WeakPolarHBondContact O-CG2 3.42Å; S42-V46 PolarHBondContact O-N 3.17Å; R43-V46 PolarHBondContact O-N 3.41Å; H44-V46 PolarHBondContact O-N 3.37Å; V46-V48 PolarHBondContact O-N 3.34Å; V46-K49 PolarHBondContact O-N 3.27Å; V46-K50 WeakPolarHBondContact O-CB 3.26Å; V46-K50 PolarHBondContact O-N 3.28Å |
| 47 | L | 97.1 | Very high | 95.6 | Very high | 91 Ų | 91 | 107.1 Ų | 107.1 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 177.4 | -74.6 | 173.2 | 0 | 0 | 0 | 112.4 | R43 H44 K50 R51 | R43-L47 HydrophobicContact CG-CD1 4.03Å; R43-L47 WeakPolarHBondContact O-CB 3.28Å; R43-L47 VanDerWaalsContact O-CG 3.26Å; R43-L47 WeakPolarHBondContact O-CG 3.25Å; R43-L47 PolarHBondContact O-N 3.28Å; H44-L47 PolarHBondContact O-N 3.21Å; L47-K50 PolarHBondContact O-N 3.13Å; L47-R51 WeakPolarHBondContact O-CG 3.44Å; L47-R51 PolarHBondContact O-N 2.98Å |
| 48 | V | 97.3 | Very high | 95.4 | Very high | 59 Ų | 59 | 105.5 Ų | 105.5 | 36% | 0.358 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | H44 V46 K50 R51 F52 | H44-V48 VanDerWaalsContact O-CG2 3.28Å; H44-V48 WeakPolarHBondContact O-CG2 3.37Å; H44-V48 PolarHBondContact O-N 3.01Å; V46-V48 PolarHBondContact O-N 3.34Å; V48-K50 VanDerWaalsContact C-N 3.29Å; V48-K50 PolarHBondContact O-N 3.48Å; V48-R51 PolarHBondContact O-N 3.35Å; V48-F52 HydrophobicContact CG1-CD2 3.94Å; V48-F52 HydrophobicContact CG1-CE2 3.97Å; V48-F52 VanDerWaalsContact O-CD2 3.27Å; V48-F52 WeakPolarHBondContact O-CD2 3.23Å; V48-F52 PolarHBondContact O-N 2.98Å |
| 49 | K | 96.3 | Very high | 95 | Very high | 92 Ų | 92 | 105 Ų | 105 | 40% | 0.4 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.2 | -41 | 177.2 | -72.2 | -175 | 178.1 | -166 | 0 | 112.4 | R45 V46 F52 G53 I54 L55 | R45-K49 WeakPolarHBondContact O-CG 3.42Å; R45-K49 PolarHBondContact O-N 2.9Å; R45-K49 VanDerWaalsContact O-N 3.13Å; V46-K49 PolarHBondContact O-N 3.27Å; K49-F52 PolarHBondContact O-N 3.46Å; K49-G53 PolarHBondContact O-N 2.99Å; K49-I54 PolarHBondContact O-N 3.03Å; K49-L55 HydrophobicContact CB-CD2 3.62Å; K49-L55 HydrophobicContact CB-CG 4.04Å; K49-L55 HydrophobicContact CD-CD2 4.18Å |
| 50 | K | 96.5 | Very high | 94.7 | Very high | 127 Ų | 127 | 107.5 Ų | 107.5 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.8 | -43.5 | 177.8 | -170.2 | 175.3 | 177.9 | 178.7 | 0 | 112.2 | V46 L47 V48 F52 G53 L55 Q58 | V46-K50 WeakPolarHBondContact O-CB 3.26Å; V46-K50 PolarHBondContact O-N 3.28Å; L47-K50 PolarHBondContact O-N 3.13Å; V48-K50 VanDerWaalsContact C-N 3.29Å; V48-K50 PolarHBondContact O-N 3.48Å; K50-F52 VanDerWaalsContact C-N 3.29Å; K50-F52 PolarHBondContact O-N 3.44Å; K50-G53 PolarHBondContact O-N 3.22Å; K50-L55 HydrophobicContact CB-CD1 3.71Å; K50-L55 HydrophobicContact CB-CG 4.46Å; K50-L55 HydrophobicContact CG-CD1 4.03Å; K50-Q58 PolarHBondContact O-NE2 3.05Å; K50-Q58 PolarHBondContact O-OE1 3.29Å |
| 51 | R | 97 | Very high | 94.2 | Very high | 191 Ų | 191 | 110.9 Ų | 110.9 | 72% | 0.721 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.5 | -36.3 | 179.2 | -73.7 | -170.6 | -61.5 | 175.2 | 2.7 | 112.6 | L47 V48 | L47-R51 WeakPolarHBondContact O-CG 3.44Å; L47-R51 PolarHBondContact O-N 2.98Å; V48-R51 PolarHBondContact O-N 3.35Å |
| 52 | F | 96.7 | Very high | 93.6 | Very high | 145 Ų | 145 | 109.5 Ų | 109.5 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 4.8 | -180 | -68.5 | -70.7 | 0 | 0 | 0 | 114 | V48 K49 K50 I54 | V48-F52 HydrophobicContact CG1-CD2 3.94Å; V48-F52 HydrophobicContact CG1-CE2 3.97Å; V48-F52 VanDerWaalsContact O-CD2 3.27Å; V48-F52 WeakPolarHBondContact O-CD2 3.23Å; V48-F52 PolarHBondContact O-N 2.98Å; K49-F52 PolarHBondContact O-N 3.46Å; K50-F52 VanDerWaalsContact C-N 3.29Å; K50-F52 PolarHBondContact O-N 3.44Å; F52-I54 VanDerWaalsContact C-N 3.26Å; F52-I54 HydrophobicContact CB-CD1 3.56Å; F52-I54 HydrophobicContact CB-CG1 3.76Å; F52-I54 HydrophobicContact CG-CD1 4.42Å; F52-I54 PolarHBondContact O-N 3.07Å |
| 53 | G | 94.4 | Very high | 93 | Very high | 35 Ų | 35 | 115 Ų | 115 | 36% | 0.361 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 68.9 | 20.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K49 K50 | K49-G53 PolarHBondContact O-N 2.99Å; K50-G53 PolarHBondContact O-N 3.22Å |
| 54 | I | 94.6 | Very high | 91.8 | Very high | 94 Ų | 94 | 118 Ų | 118 | 48% | 0.482 | 60% | 0.595 | S | S | . | * | trans | -89.6 | -7.8 | -173.3 | -52.6 | 167.7 | 0 | 0 | 0 | 111.4 | K49 F52 L56 | K49-I54 PolarHBondContact O-N 3.03Å; F52-I54 VanDerWaalsContact C-N 3.26Å; F52-I54 HydrophobicContact CB-CD1 3.56Å; F52-I54 HydrophobicContact CB-CG1 3.76Å; F52-I54 HydrophobicContact CG-CD1 4.42Å; F52-I54 PolarHBondContact O-N 3.07Å; I54-L56 PolarHBondContact O-N 2.65Å | ||
| 55 | L | 93.6 | Very high | 91.5 | Very high | 37 Ų | 37 | 119.3 Ų | 119.3 | 19% | 0.194 | 60% | 0.604 | C | S | . | * | S | Bend | trans | -66.9 | 137.6 | 176.7 | -62.9 | 175.1 | 0 | 0 | 0 | 109.9 | K49 K50 T57 Q58 Q59 | K49-L55 HydrophobicContact CB-CD2 3.62Å; K49-L55 HydrophobicContact CB-CG 4.04Å; K49-L55 HydrophobicContact CD-CD2 4.18Å; K50-L55 HydrophobicContact CB-CD1 3.71Å; K50-L55 HydrophobicContact CB-CG 4.46Å; K50-L55 HydrophobicContact CG-CD1 4.03Å; L55-T57 PolarHBondContact O-N 3.37Å; L55-T57 VanDerWaalsContact O-N 3.12Å; L55-Q58 HydrophobicContact CB-CB 4.5Å; L55-Q58 HydrophobicContact CB-CG 4.07Å; L55-Q58 VanDerWaalsContact CB-OE1 3.3Å; L55-Q58 WeakPolarHBondContact O-CA 2.93Å; L55-Q58 WeakPolarHBondContact O-CB 3.15Å; L55-Q58 PolarHBondContact O-N 2.91Å; L55-Q59 PolarHBondContact O-N 3.08Å |
| 56 | L | 90.5 | Very high | 91.3 | Very high | 149 Ų | 149 | 119.2 Ų | 119.2 | 78% | 0.78 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -55.7 | -31.6 | 176.2 | -68.7 | 170.7 | 0 | 0 | 0 | 112.3 | I54 Q58 Q59 | I54-L56 PolarHBondContact O-N 2.65Å; L56-Q58 PolarHBondContact O-N 3.18Å; L56-Q59 PolarHBondContact O-N 3.36Å |
| 57 | T | 92 | Very high | 91 | Very high | 131 Ų | 131 | 121.8 Ų | 121.8 | 80% | 0.804 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -70.5 | -15.3 | 175.9 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | L55 | L55-T57 PolarHBondContact O-N 3.37Å; L55-T57 VanDerWaalsContact O-N 3.12Å |
| 58 | Q | 92.2 | Very high | 90.7 | Very high | 87 Ų | 87 | 123.6 Ų | 123.6 | 41% | 0.407 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -97 | -13.6 | 175.8 | -63.5 | 174.7 | -69 | 0 | 0 | 112.3 | K50 L55 L56 | K50-Q58 PolarHBondContact O-NE2 3.05Å; K50-Q58 PolarHBondContact O-OE1 3.29Å; L55-Q58 HydrophobicContact CB-CB 4.5Å; L55-Q58 HydrophobicContact CB-CG 4.07Å; L55-Q58 VanDerWaalsContact CB-OE1 3.3Å; L55-Q58 WeakPolarHBondContact O-CA 2.93Å; L55-Q58 WeakPolarHBondContact O-CB 3.15Å; L55-Q58 PolarHBondContact O-N 2.91Å; L56-Q58 PolarHBondContact O-N 3.18Å |
| 59 | Q | 88.8 | Confident | 90.3 | Very high | 105 Ų | 105 | 127.6 Ų | 127.6 | 49% | 0.491 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -85.4 | 149.8 | 179.6 | -66.6 | -177.4 | -13.6 | 0 | 0 | 110.8 | L55 L56 | L55-Q59 PolarHBondContact O-N 3.08Å; L56-Q59 PolarHBondContact O-N 3.36Å |
| 60 | A | 87.7 | Confident | 89.9 | Confident | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 145.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 61 | R | 85.6 | Confident | 89.4 | Confident | 234 Ų | 234 | 130.2 Ų | 130.2 | 88% | 0.883 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 133.1 | 174.7 | -70.1 | -176.3 | -176 | -176.6 | 1.9 | 108.6 | I63 | R61-I63 PolarHBondContact O-N 2.94Š|
| 62 | P | 83.4 | Confident | 88.8 | Confident | 116 Ų | 116 | 125.5 Ų | 125.5 | 75% | 0.753 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.9 | 173.2 | 24.6 | -31.5 | 0 | 0 | 0 | 108.3 | L64 | P62-L64 PolarHBondContact O-N 3.34Š|
| 63 | I | 82.8 | Confident | 88.1 | Confident | 169 Ų | 169 | 123.9 Ų | 123.9 | 87% | 0.867 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 119.6 | 170.1 | -47.3 | 174.8 | 0 | 0 | 0 | 104.9 | R61 | R61-I63 PolarHBondContact O-N 2.94Š|
| 64 | L | 72 | Confident | 87.6 | Confident | 235 Ų | 235 | 132 Ų | 132 | 100% | 1.23 | 70% | 0.698 | S | S | * | * | trans | -69.9 | 0 | 176.6 | -69.4 | 174.2 | 0 | 0 | 0 | 110.9 | P62 | P62-L64 PolarHBondContact O-N 3.34Š|
Retrieved 64 of 64 residues in 445.8 ms
(Link to these results)