| 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 | 60.9 | Low | 74.7 | Confident | 89 Ų | 89 | 89.8 Ų | 89.8 | 44% | 0.438 | 46% | 0.464 | S | S | . | . | 0 | 121.8 | 0 | -168.2 | -132.8 | -98.6 | 0 | 0 | 108.1 | N10 K24 | M1-N10 PolarHBondContact N-O 3.11Å; M1-N10 PolarHBondContact O-N 2.72Å; M1-K24 HydrophobicContact CE-CB 3.64Å; M1-K24 HydrophobicContact CE-CD 3.53Å; M1-K24 HydrophobicContact CE-CG 3.37Å; M1-K24 HydrophobicContact SD-CG 4.17Å | |||
| 2 | L | 69.5 | Low | 74.4 | Confident | 101 Ų | 101 | 88.4 Ų | 88.4 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | B | Isolated β-bridge | trans | -80 | 121.2 | 177.8 | -174.6 | 125.2 | 0 | 0 | 0 | 109.2 | Q4 V9 | L2-Q4 HydrophobicContact CD2-CG 4.47Å; L2-Q4 PolarHBondContact O-N 2.91Å; L2-V9 HydrophobicContact CD1-CG2 4.41Å |
| 3 | V | 71.9 | Confident | 74.3 | Confident | 25 Ų | 25 | 88.8 Ų | 88.8 | 15% | 0.152 | 50% | 0.501 | C | S | . | . | trans | -82.5 | 107.4 | 174.7 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | Q5 C6 Q7 Q8 C17 | V3-Q5 PolarHBondContact O-N 3.33Å; V3-C6 VanDerWaalsContact CB-SG 3.55Å; V3-C6 VanDerWaalsContact CG1-SG 3.55Å; V3-C6 PolarHBondContact O-N 2.73Å; V3-Q7 VanDerWaalsContact O-CA 3.31Å; V3-Q7 WeakPolarHBondContact O-CA 3Å; V3-Q7 PolarHBondContact O-N 2.89Å; V3-Q8 PolarHBondContact N-O 2.96Å; V3-Q8 VanDerWaalsContact N-O 3.1Å; V3-C17 HydrophobicContact CG2-CB 4.04Å | ||
| 4 | Q | 72.9 | Confident | 73.7 | Confident | 175 Ų | 175 | 85.3 Ų | 85.3 | 82% | 0.818 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -27.8 | -171.4 | -68.9 | -179.3 | -13.9 | 0 | 0 | 114.4 | L2 | L2-Q4 HydrophobicContact CD2-CG 4.47Å; L2-Q4 PolarHBondContact O-N 2.91Å |
| 5 | Q | 76.2 | Confident | 73.6 | Confident | 149 Ų | 149 | 85.7 Ų | 85.7 | 70% | 0.696 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -42 | -179.4 | -161.2 | 73.8 | 20.1 | 0 | 0 | 114.4 | V3 R22 | V3-Q5 PolarHBondContact O-N 3.33Å; Q5-R22 VanDerWaalsContact CG-NH1 3.27Å |
| 6 | C | 80.4 | Confident | 74 | Confident | 37 Ų | 37 | 83.9 Ų | 83.9 | 25% | 0.25 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 0.8 | -176.6 | 64.2 | 0 | 0 | 0 | 0 | 113 | V3 Q8 C17 F19 C20 | V3-C6 VanDerWaalsContact CB-SG 3.55Å; V3-C6 VanDerWaalsContact CG1-SG 3.55Å; V3-C6 PolarHBondContact O-N 2.73Å; C6-Q8 PolarHBondContact O-N 3.44Å; C6-C17 PolarHBondContact SG-SG 3.35Å; C6-F19 HydrophobicContact CB-CD1 4.19Å; C6-C20 HydrophobicContact CB-CB 4.15Å; C6-C20 PolarHBondContact SG-SG 3.48Å |
| 7 | Q | 78.5 | Confident | 74.4 | Confident | 154 Ų | 154 | 79.2 Ų | 79.2 | 72% | 0.72 | 46% | 0.458 | S | S | * | . | trans | 52.1 | 14.8 | -178 | -57.9 | -176.1 | 23.5 | 0 | 0 | 114.8 | V3 | V3-Q7 VanDerWaalsContact O-CA 3.31Å; V3-Q7 WeakPolarHBondContact O-CA 3Å; V3-Q7 PolarHBondContact O-N 2.89Å | ||
| 8 | Q | 80.6 | Confident | 74.7 | Confident | 83 Ų | 83 | 82.7 Ų | 82.7 | 39% | 0.388 | 47% | 0.469 | S | S | . | . | trans | -75.8 | 130 | 176.5 | -173.4 | 62.1 | 31.6 | 0 | 0 | 109.9 | V3 C6 N10 F19 | V3-Q8 PolarHBondContact N-O 2.96Å; V3-Q8 VanDerWaalsContact N-O 3.1Å; C6-Q8 PolarHBondContact O-N 3.44Å; Q8-N10 PolarHBondContact O-N 3.41Å; Q8-F19 HydrophobicContact CB-CB 4.47Å; Q8-F19 HydrophobicContact CG-CB 4.46Å | ||
| 9 | V | 80.1 | Confident | 74.9 | Confident | 101 Ų | 101 | 87 Ų | 87 | 61% | 0.612 | 48% | 0.482 | S | S | * | . | B | Isolated β-bridge | trans | -80.8 | 114.3 | 169.3 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | L2 | L2-V9 HydrophobicContact CD1-CG2 4.41Å |
| 10 | N | 72.2 | Confident | 75.4 | Confident | 7 Ų | 7 | 85.1 Ų | 85.1 | 4% | 0.037 | 48% | 0.475 | C | S | . | . | trans | -107 | 155.5 | 178 | -159.4 | 8.1 | 0 | 0 | 0 | 111.3 | M1 Q8 N14 C16 | M1-N10 PolarHBondContact N-O 3.11Å; M1-N10 PolarHBondContact O-N 2.72Å; Q8-N10 PolarHBondContact O-N 3.41Å; N10-N14 VanDerWaalsContact ND2-CB 3.31Å; N10-N14 WeakPolarHBondContact ND2-CB 3.28Å; N10-N14 WeakPolarHBondContact OD1-CB 3.26Å; N10-N14 PolarHBondContact OD1-ND2 3.26Å; N10-C16 PolarHBondContact ND2-O 3.08Å | ||
| 11 | S | 78.2 | Confident | 75.5 | Confident | 67 Ų | 67 | 83.5 Ų | 83.5 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | trans | -59.1 | 146.2 | 175.8 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | S13 N14 K24 | S11-S13 PolarHBondContact O-N 2.71Å; S11-S13 VanDerWaalsContact O-N 3.09Å; S11-N14 PolarHBondContact O-N 2.96Å; S11-K24 PolarHBondContact O-NZ 3.43Å | ||
| 12 | G | 71.6 | Confident | 76.2 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 75% | 0.753 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | K24 | G12-K24 PolarHBondContact O-NZ 2.92Š|
| 13 | S | 73.4 | Confident | 76.5 | Confident | 93 Ų | 93 | 86 Ų | 86 | 65% | 0.65 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -27.1 | 179.4 | 51.7 | 0 | 0 | 0 | 0 | 115.8 | S11 S15 | S11-S13 PolarHBondContact O-N 2.71Å; S11-S13 VanDerWaalsContact O-N 3.09Å; S13-S15 PolarHBondContact O-N 3.19Å |
| 14 | N | 65.9 | Low | 76.4 | Confident | 40 Ų | 40 | 86.9 Ų | 86.9 | 21% | 0.214 | 49% | 0.491 | C | S | . | . | trans | -72.2 | 114 | -167.6 | -71.5 | -0.3 | 0 | 0 | 0 | 112.2 | N10 S11 C16 E18 K24 | N10-N14 VanDerWaalsContact ND2-CB 3.31Å; N10-N14 WeakPolarHBondContact ND2-CB 3.28Å; N10-N14 WeakPolarHBondContact OD1-CB 3.26Å; N10-N14 PolarHBondContact OD1-ND2 3.26Å; S11-N14 PolarHBondContact O-N 2.96Å; N14-C16 PolarHBondContact O-N 3.15Å; N14-E18 PolarHBondContact ND2-OE1 2.72Å; N14-K24 WeakPolarHBondContact O-CD 3.48Å; N14-K24 WeakPolarHBondContact O-CE 3.28Å; N14-K24 WeakPolarHBondContact O-CG 3.47Å; N14-K24 PolarHBondContact O-NZ 3.27Å | ||
| 15 | S | 72.4 | Confident | 76.3 | Confident | 91 Ų | 91 | 83.8 Ų | 83.8 | 64% | 0.636 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -66.9 | -18 | -176.8 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | S13 S23 K24 | S13-S15 PolarHBondContact O-N 3.19Å; S15-S23 CarbonylContact O-C 3.58Å; S15-S23 VanDerWaalsContact O-CA 3.31Å; S15-S23 WeakPolarHBondContact O-CA 3.2Å; S15-K24 PolarHBondContact O-N 3.06Å |
| 16 | C | 80 | Confident | 75.7 | Confident | 58 Ų | 58 | 86.6 Ų | 86.6 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -130.3 | 150.7 | 177.5 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | N10 N14 R22 | N10-C16 PolarHBondContact ND2-O 3.08Å; N14-C16 PolarHBondContact O-N 3.15Å; C16-R22 CarbonylContact C-O 3.51Å; C16-R22 WeakPolarHBondContact CA-O 3.31Å |
| 17 | C | 80.4 | Confident | 74.7 | Confident | 4 Ų | 4 | 88.3 Ų | 88.3 | 3% | 0.027 | 51% | 0.514 | C | S | . | . | trans | -64.2 | 123.5 | 169.8 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | V3 C6 F19 C20 G21 R22 | V3-C17 HydrophobicContact CG2-CB 4.04Å; C6-C17 PolarHBondContact SG-SG 3.35Å; C17-F19 VanDerWaalsContact C-N 3.29Å; C17-F19 PolarHBondContact O-N 2.86Å; C17-C20 HydrophobicContact CB-CB 4.28Å; C17-C20 WeakPolarHBondContact CB-SG 3.46Å; C17-C20 WeakPolarHBondContact SG-CB 3.4Å; C17-C20 PolarHBondContact SG-N 3.21Å; C17-C20 CovalentContact SG-SG 2.07Å; C17-C20 PolarHBondContact SG-SG 2.96Å; C17-G21 VanDerWaalsContact O-CA 3.26Å; C17-G21 WeakPolarHBondContact O-CA 2.96Å; C17-G21 PolarHBondContact O-N 3.5Å; C17-R22 HydrophobicContact CB-CB 4.38Å; C17-R22 VanDerWaalsContact CB-O 3.28Å; C17-R22 WeakPolarHBondContact CB-O 3.33Å; C17-R22 PolarHBondContact N-O 2.86Å | ||
| 18 | E | 79.7 | Confident | 73.5 | Confident | 141 Ų | 141 | 91.1 Ų | 91.1 | 66% | 0.659 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -32.1 | -179.5 | -68.4 | 179.3 | 166.7 | 0 | 0 | 113.1 | N14 | N14-E18 PolarHBondContact ND2-OE1 2.72Š|
| 19 | F | 78.8 | Confident | 72.3 | Confident | 165 Ų | 165 | 89.4 Ų | 89.4 | 72% | 0.724 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -31.4 | -177 | -168 | -99.8 | 0 | 0 | 0 | 113.7 | C6 Q8 C17 | C6-F19 HydrophobicContact CB-CD1 4.19Å; Q8-F19 HydrophobicContact CB-CB 4.47Å; Q8-F19 HydrophobicContact CG-CB 4.46Å; C17-F19 VanDerWaalsContact C-N 3.29Å; C17-F19 PolarHBondContact O-N 2.86Å |
| 20 | C | 84.7 | Confident | 71.2 | Confident | 49 Ų | 49 | 91.6 Ų | 91.6 | 33% | 0.331 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -1.5 | -167 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | C6 C17 R22 | C6-C20 HydrophobicContact CB-CB 4.15Å; C6-C20 PolarHBondContact SG-SG 3.48Å; C17-C20 HydrophobicContact CB-CB 4.28Å; C17-C20 WeakPolarHBondContact CB-SG 3.46Å; C17-C20 WeakPolarHBondContact SG-CB 3.4Å; C17-C20 PolarHBondContact SG-N 3.21Å; C17-C20 CovalentContact SG-SG 2.07Å; C17-C20 PolarHBondContact SG-SG 2.96Å; C20-R22 PolarHBondContact O-N 3.22Å |
| 21 | G | 77.4 | Confident | 70.9 | Confident | 52 Ų | 52 | 92.1 Ų | 92.1 | 54% | 0.536 | 54% | 0.535 | S | S | . | . | trans | 66.3 | -10.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | C17 S23 | C17-G21 VanDerWaalsContact O-CA 3.26Å; C17-G21 WeakPolarHBondContact O-CA 2.96Å; C17-G21 PolarHBondContact O-N 3.5Å; G21-S23 PolarHBondContact O-N 3.43Å | ||
| 22 | R | 76.5 | Confident | 70.4 | Confident | 147 Ų | 147 | 89.3 Ų | 89.3 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 128.9 | -177.1 | -85.8 | 174.1 | 176 | 175.9 | 0.1 | 112 | Q5 C16 C17 C20 | Q5-R22 VanDerWaalsContact CG-NH1 3.27Å; C16-R22 CarbonylContact C-O 3.51Å; C16-R22 WeakPolarHBondContact CA-O 3.31Å; C17-R22 HydrophobicContact CB-CB 4.38Å; C17-R22 VanDerWaalsContact CB-O 3.28Å; C17-R22 WeakPolarHBondContact CB-O 3.33Å; C17-R22 PolarHBondContact N-O 2.86Å; C20-R22 PolarHBondContact O-N 3.22Å |
| 23 | S | 74.1 | Confident | 70.7 | Confident | 94 Ų | 94 | 90.5 Ų | 90.5 | 66% | 0.657 | 50% | 0.503 | S | S | * | . | B | Isolated β-bridge | trans | -66.1 | 146.9 | 175.6 | -52.2 | 0 | 0 | 0 | 0 | 111.4 | S15 G21 | S15-S23 CarbonylContact O-C 3.58Å; S15-S23 VanDerWaalsContact O-CA 3.31Å; S15-S23 WeakPolarHBondContact O-CA 3.2Å; G21-S23 PolarHBondContact O-N 3.43Å |
| 24 | K | 71.1 | Confident | 71.1 | Confident | 45 Ų | 45 | 92 Ų | 92 | 20% | 0.196 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 131.7 | 171.8 | -73.4 | -172.9 | 161.3 | 149.6 | 0 | 110.1 | M1 S11 G12 N14 S15 R26 | M1-K24 HydrophobicContact CE-CB 3.64Å; M1-K24 HydrophobicContact CE-CD 3.53Å; M1-K24 HydrophobicContact CE-CG 3.37Å; M1-K24 HydrophobicContact SD-CG 4.17Å; S11-K24 PolarHBondContact O-NZ 3.43Å; G12-K24 PolarHBondContact O-NZ 2.92Å; N14-K24 WeakPolarHBondContact O-CD 3.48Å; N14-K24 WeakPolarHBondContact O-CE 3.28Å; N14-K24 WeakPolarHBondContact O-CG 3.47Å; N14-K24 PolarHBondContact O-NZ 3.27Å; S15-K24 PolarHBondContact O-N 3.06Å; K24-R26 PolarHBondContact O-N 2.07Å; K24-R26 VanDerWaalsContact O-N 3.08Å |
| 25 | P | 69.5 | Low | 72 | Confident | 109 Ų | 109 | 91.6 Ų | 91.6 | 71% | 0.708 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 118.1 | 173 | 25.1 | -33.2 | 0 | 0 | 0 | 108.6 | G27 | P25-G27 PolarHBondContact O-N 3.15Š|
| 26 | R | 64.6 | Low | 72.4 | Confident | 209 Ų | 209 | 88.6 Ų | 88.6 | 79% | 0.789 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 131.5 | 173.2 | -64.1 | -171.9 | -68.6 | -116.1 | 2.3 | 108 | K24 K28 | K24-R26 PolarHBondContact O-N 2.07Å; K24-R26 VanDerWaalsContact O-N 3.08Å; R26-K28 PolarHBondContact O-N 3.4Å |
| 27 | G | 59.7 | Low | 72.4 | Confident | 73 Ų | 73 | 93.4 Ų | 93.4 | 75% | 0.753 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 127 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P25 G29 | P25-G27 PolarHBondContact O-N 3.15Å; G27-G29 PolarHBondContact O-N 3.33Å |
| 28 | K | 53.6 | Low | 72.5 | Confident | 213 Ų | 213 | 101.2 Ų | 101.2 | 93% | 0.926 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 127.7 | 178.1 | -102.6 | 85.4 | 169.1 | -168.3 | 0 | 108.6 | R26 | R26-K28 PolarHBondContact O-N 3.4Š|
| 29 | G | 55.5 | Low | 72.5 | Confident | 46 Ų | 46 | 96.4 Ų | 96.4 | 47% | 0.474 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 120.2 | -3.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | G27 | G27-G29 PolarHBondContact O-N 3.33Š|
| 30 | Q | 56.1 | Low | 72.6 | Confident | 148 Ų | 148 | 89.2 Ų | 89.2 | 69% | 0.692 | 49% | 0.486 | S | S | * | . | trans | -124.2 | 114.7 | -179.8 | -64.9 | -177.6 | -43 | 0 | 0 | 111.8 | G32 S55 | Q30-G32 PolarHBondContact O-N 2.8Å; Q30-S55 PolarHBondContact O-OG 2.8Å | ||
| 31 | V | 65.4 | Low | 72.6 | Confident | 17 Ų | 17 | 94 Ų | 94 | 10% | 0.103 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -74.4 | -16.6 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | S55 K56 A73 A74 V79 | V31-S55 WeakPolarHBondContact O-CB 3.44Å; V31-S55 PolarHBondContact O-N 2.99Å; V31-S55 PolarHBondContact O-OG 3.41Å; V31-K56 HydrophobicContact CG1-CG 4.27Å; V31-A73 HydrophobicContact CG1-CB 3.97Å; V31-A74 VanDerWaalsContact CB-O 3.3Å; V31-A74 WeakPolarHBondContact CB-O 2.78Å; V31-A74 WeakPolarHBondContact CG1-O 3.02Å; V31-V79 HydrophobicContact CG2-CG2 3.27Å |
| 32 | G | 68.1 | Low | 72.8 | Confident | 8 Ų | 8 | 99.9 Ų | 99.9 | 8% | 0.082 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q30 S53 K75 | Q30-G32 PolarHBondContact O-N 2.8Å; G32-S53 WeakPolarHBondContact CA-O 3.48Å; G32-K75 PolarHBondContact N-O 2.7Å; G32-K75 VanDerWaalsContact N-O 3.14Å |
| 33 | H | 77.9 | Confident | 73.1 | Confident | 98 Ų | 98 | 93.9 Ų | 93.9 | 45% | 0.454 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 133.7 | 165.4 | 60.4 | -75 | 0 | 0 | 0 | 108.7 | W52 S53 | H33-W52 CarbonylContact O-C 3.52Å; H33-W52 VanDerWaalsContact O-CA 3.31Å; H33-W52 WeakPolarHBondContact O-CA 3.41Å; H33-S53 PolarHBondContact CD2-OG 3.48Å; H33-S53 WeakPolarHBondContact CE1-CB 3.49Å; H33-S53 PolarHBondContact CE1-OG 3.2Å; H33-S53 VanDerWaalsContact CG-OG 3.28Å; H33-S53 PolarHBondContact N-O 3.49Å; H33-S53 PolarHBondContact ND1-O 2.81Å; H33-S53 VanDerWaalsContact ND1-O 3.11Å; H33-S53 PolarHBondContact ND1-OG 2.67Å; H33-S53 WeakPolarHBondContact NE2-CB 3.43Å; H33-S53 PolarHBondContact NE2-OG 3.48Å; H33-S53 PolarHBondContact O-N 3.08Å; H33-S53 PolarHBondContact O-OG 3.48Å; H33-S53 VanDerWaalsContact O-OG 3.13Å |
| 34 | E | 83 | Confident | 73.4 | Confident | 125 Ų | 125 | 98.6 Ų | 98.6 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 131.3 | 173.5 | -64.1 | 176.9 | 171.5 | 0 | 0 | 107.7 | G36 K75 | E34-G36 PolarHBondContact O-N 3.09Å; E34-K75 IonicContact OE1-NZ 3.03Å; E34-K75 PolarHBondContact OE1-NZ 2.79Å |
| 35 | I | 82.8 | Confident | 73.9 | Confident | 31 Ų | 31 | 99.9 Ų | 99.9 | 16% | 0.159 | 53% | 0.529 | C | S | . | . | trans | -62.2 | -32.4 | -175 | -70.3 | 174.6 | 0 | 0 | 0 | 110.3 | A39 F47 D51 I60 | I35-A39 HydrophobicContact CG2-CB 3.27Å; I35-A39 WeakPolarHBondContact O-CB 3.44Å; I35-F47 HydrophobicContact CD1-CB 4.39Å; I35-F47 HydrophobicContact CD1-CG 4.41Å; I35-D51 WeakPolarHBondContact CB-O 3.41Å; I35-D51 HydrophobicContact CD1-CB 3.94Å; I35-D51 WeakPolarHBondContact CG1-O 3.26Å; I35-D51 PolarHBondContact N-O 3.18Å; I35-I60 HydrophobicContact CD1-CB 4.19Å; I35-I60 HydrophobicContact CD1-CD1 3.85Å; I35-I60 HydrophobicContact CD1-CG1 3.8Å; I35-I60 HydrophobicContact CD1-CG2 3.4Å; I35-I60 VanDerWaalsContact CD1-CG2 3.4Å | ||
| 36 | G | 81.5 | Confident | 74.4 | Confident | 28 Ų | 28 | 101 Ų | 101 | 29% | 0.289 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | 80 | 164.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E34 E38 A39 A40 A49 | E34-G36 PolarHBondContact O-N 3.09Å; G36-E38 VanDerWaalsContact C-N 3.32Å; G36-E38 PolarHBondContact O-N 2.81Å; G36-A39 PolarHBondContact O-N 3Å; G36-A40 PolarHBondContact O-N 2.89Å; G36-A40 VanDerWaalsContact O-N 3.17Å; G36-A49 PolarHBondContact N-O 2.85Å |
| 37 | K | 81 | Confident | 75.3 | Confident | 159 Ų | 159 | 94.6 Ų | 94.6 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -39.2 | -175.2 | -64.6 | -179.9 | 179.9 | -178.2 | 0 | 112.6 | A39 A40 E41 A49 | K37-A39 PolarHBondContact O-N 3.1Å; K37-A40 WeakPolarHBondContact O-CB 3.31Å; K37-A40 PolarHBondContact O-N 3.24Å; K37-E41 WeakPolarHBondContact O-CG 3.37Å; K37-E41 PolarHBondContact O-N 3.34Å; K37-A49 HydrophobicContact CB-CB 4.4Å; K37-A49 HydrophobicContact CG-CB 3.76Å |
| 38 | E | 81.3 | Confident | 76.5 | Confident | 169 Ų | 169 | 93.4 Ų | 93.4 | 79% | 0.79 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | -178 | -62 | -177.9 | 177.2 | 0 | 0 | 112.6 | G36 K42 | G36-E38 VanDerWaalsContact C-N 3.32Å; G36-E38 PolarHBondContact O-N 2.81Å; E38-K42 WeakPolarHBondContact O-CB 3.31Å; E38-K42 PolarHBondContact O-N 2.92Å |
| 39 | A | 80.1 | Confident | 78 | Confident | 40 Ų | 40 | 85 Ų | 85 | 33% | 0.331 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -77.3 | -29.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | I35 G36 K37 K42 S43 | I35-A39 HydrophobicContact CG2-CB 3.27Å; I35-A39 WeakPolarHBondContact O-CB 3.44Å; G36-A39 PolarHBondContact O-N 3Å; K37-A39 PolarHBondContact O-N 3.1Å; A39-K42 PolarHBondContact O-N 3.17Å; A39-S43 VanDerWaalsContact O-CB 3.28Å; A39-S43 WeakPolarHBondContact O-CB 3.48Å; A39-S43 PolarHBondContact O-N 3.36Å; A39-S43 PolarHBondContact O-OG 2.99Å |
| 40 | A | 81.1 | Confident | 79.4 | Confident | 13 Ų | 13 | 89.5 Ų | 89.5 | 11% | 0.107 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G36 K37 K42 S43 F47 A49 | G36-A40 PolarHBondContact O-N 2.89Å; G36-A40 VanDerWaalsContact O-N 3.17Å; K37-A40 WeakPolarHBondContact O-CB 3.31Å; K37-A40 PolarHBondContact O-N 3.24Å; A40-K42 PolarHBondContact O-N 3.38Å; A40-S43 PolarHBondContact O-N 3.42Å; A40-S43 PolarHBondContact O-OG 2.88Å; A40-F47 WeakPolarHBondContact CB-O 3.26Å; A40-A49 HydrophobicContact CB-CB 4.2Å |
| 41 | E | 83.6 | Confident | 81.1 | Confident | 151 Ų | 151 | 83.1 Ų | 83.1 | 71% | 0.706 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.1 | -44.5 | 176.3 | -72.8 | 172.4 | -169.5 | 0 | 0 | 111.9 | K37 S43 K44 | K37-E41 WeakPolarHBondContact O-CG 3.37Å; K37-E41 PolarHBondContact O-N 3.34Å; E41-S43 PolarHBondContact O-N 3.38Å; E41-K44 PolarHBondContact O-N 3.22Å; E41-K44 VanDerWaalsContact O-N 3.08Å |
| 42 | K | 83.5 | Confident | 82.2 | Confident | 175 Ų | 175 | 82.3 Ų | 82.3 | 76% | 0.761 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.7 | -30.1 | 177.4 | -169.5 | 173.6 | -176.1 | 177.2 | 0 | 112.6 | E38 A39 A40 K44 | E38-K42 WeakPolarHBondContact O-CB 3.31Å; E38-K42 PolarHBondContact O-N 2.92Å; A39-K42 PolarHBondContact O-N 3.17Å; A40-K42 PolarHBondContact O-N 3.38Å; K42-K44 PolarHBondContact O-N 3.27Å |
| 43 | S | 81.2 | Confident | 83.2 | Confident | 20 Ų | 20 | 82.2 Ų | 82.2 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 4 | 178.2 | 79.3 | 0 | 0 | 0 | 0 | 114 | A39 A40 E41 G45 L46 F47 | A39-S43 VanDerWaalsContact O-CB 3.28Å; A39-S43 WeakPolarHBondContact O-CB 3.48Å; A39-S43 PolarHBondContact O-N 3.36Å; A39-S43 PolarHBondContact O-OG 2.99Å; A40-S43 PolarHBondContact O-N 3.42Å; A40-S43 PolarHBondContact O-OG 2.88Å; E41-S43 PolarHBondContact O-N 3.38Å; S43-G45 PolarHBondContact O-N 2.69Å; S43-G45 VanDerWaalsContact O-N 3.15Å; S43-L46 WeakPolarHBondContact O-CB 3.17Å; S43-L46 WeakPolarHBondContact O-CD1 3.48Å; S43-L46 PolarHBondContact O-N 2.96Å; S43-F47 VanDerWaalsContact CB-CD2 3.47Å; S43-F47 PolarHBondContact OG-N 3.11Å; S43-F47 VanDerWaalsContact OG-N 3.11Å |
| 44 | K | 81.3 | Confident | 83.8 | Confident | 194 Ų | 194 | 77.6 Ų | 77.6 | 84% | 0.843 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 36.5 | 176.9 | -60.5 | 177.1 | 177.1 | 176.4 | 0 | 113.2 | E41 K42 | E41-K44 PolarHBondContact O-N 3.22Å; E41-K44 VanDerWaalsContact O-N 3.08Å; K42-K44 PolarHBondContact O-N 3.27Å |
| 45 | G | 80.7 | Confident | 83.9 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 73% | 0.732 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 11.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S43 | S43-G45 PolarHBondContact O-N 2.69Å; S43-G45 VanDerWaalsContact O-N 3.15Å |
| 46 | L | 80.3 | Confident | 84 | Confident | 132 Ų | 132 | 79.9 Ų | 79.9 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -73.7 | -30.7 | 171.8 | -86 | 84.3 | 0 | 0 | 0 | 112.9 | S43 | S43-L46 WeakPolarHBondContact O-CB 3.17Å; S43-L46 WeakPolarHBondContact O-CD1 3.48Å; S43-L46 PolarHBondContact O-N 2.96Å |
| 47 | F | 83.4 | Confident | 84.3 | Confident | 75 Ų | 75 | 81.3 Ų | 81.3 | 33% | 0.329 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -126.1 | 144.6 | -179.7 | -54.9 | -62.4 | 0 | 0 | 0 | 111.2 | I35 A40 S43 I60 | I35-F47 HydrophobicContact CD1-CB 4.39Å; I35-F47 HydrophobicContact CD1-CG 4.41Å; A40-F47 WeakPolarHBondContact CB-O 3.26Å; S43-F47 VanDerWaalsContact CB-CD2 3.47Å; S43-F47 PolarHBondContact OG-N 3.11Å; S43-F47 VanDerWaalsContact OG-N 3.11Å; F47-I60 HydrophobicContact CD1-CB 4.43Å; F47-I60 HydrophobicContact CD1-CD1 4.09Å; F47-I60 HydrophobicContact CD1-CG2 3.59Å; F47-I60 HydrophobicContact CD2-CD1 4.2Å; F47-I60 HydrophobicContact CE1-CB 4.09Å; F47-I60 HydrophobicContact CE1-CD1 3.61Å; F47-I60 HydrophobicContact CE1-CG1 4.45Å; F47-I60 HydrophobicContact CE1-CG2 3.72Å; F47-I60 HydrophobicContact CE2-CD1 3.75Å; F47-I60 HydrophobicContact CG-CD1 4.37Å; F47-I60 HydrophobicContact CG-CG2 4.41Å; F47-I60 HydrophobicContact CZ-CD1 3.44Å; F47-I60 VanDerWaalsContact CZ-CD1 3.44Å |
| 48 | A | 85 | Confident | 84.7 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 40% | 0.397 | 42% | 0.422 | S | S | . | . | trans | -81.2 | 154 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E50 D51 | A48-E50 PolarHBondContact O-N 2.98Å; A48-D51 PolarHBondContact N-OD2 3.13Å; A48-D51 WeakPolarHBondContact O-CB 3.44Å; A48-D51 PolarHBondContact O-N 3.1Å; A48-D51 VanDerWaalsContact O-N 3.1Å | ||
| 49 | A | 84.7 | Confident | 85.2 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 30% | 0.298 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G36 K37 A40 | G36-A49 PolarHBondContact N-O 2.85Å; K37-A49 HydrophobicContact CB-CB 4.4Å; K37-A49 HydrophobicContact CG-CB 3.76Å; A40-A49 HydrophobicContact CB-CB 4.2Å |
| 50 | E | 85.3 | Confident | 85.6 | Confident | 141 Ų | 141 | 71.1 Ų | 71.1 | 66% | 0.659 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -6.8 | -179.5 | -59.6 | 178 | 177.5 | 0 | 0 | 113.3 | A48 A63 | A48-E50 PolarHBondContact O-N 2.98Å; E50-A63 HydrophobicContact CB-CB 3.53Å; E50-A63 WeakPolarHBondContact O-CA 3.2Å; E50-A63 VanDerWaalsContact O-CB 3.27Å; E50-A63 WeakPolarHBondContact O-CB 3.32Å |
| 51 | D | 91.8 | Very high | 86.1 | Confident | 14 Ų | 14 | 70.6 Ų | 70.6 | 8% | 0.075 | 39% | 0.389 | C | S | . | . | trans | -67.1 | 145.3 | 175.4 | -70.8 | -21.6 | 0 | 0 | 0 | 110.1 | I35 A48 I60 W62 A63 | I35-D51 WeakPolarHBondContact CB-O 3.41Å; I35-D51 HydrophobicContact CD1-CB 3.94Å; I35-D51 WeakPolarHBondContact CG1-O 3.26Å; I35-D51 PolarHBondContact N-O 3.18Å; A48-D51 PolarHBondContact N-OD2 3.13Å; A48-D51 WeakPolarHBondContact O-CB 3.44Å; A48-D51 PolarHBondContact O-N 3.1Å; A48-D51 VanDerWaalsContact O-N 3.1Å; D51-I60 HydrophobicContact CB-CG2 4.16Å; D51-W62 VanDerWaalsContact OD1-CA 3.26Å; D51-W62 WeakPolarHBondContact OD1-CA 3.31Å; D51-A63 PolarHBondContact OD1-N 3.41Å | ||
| 52 | W | 88.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135.6 | -173.6 | 67.1 | -87.4 | 0 | 0 | 0 | 111.6 | H33 C54 N61 R65 C68 K75 | H33-W52 CarbonylContact O-C 3.52Å; H33-W52 VanDerWaalsContact O-CA 3.31Å; H33-W52 WeakPolarHBondContact O-CA 3.41Å; W52-C54 HydrophobicContact CZ3-CB 3.93Å; W52-N61 HydrophobicContact CD2-CB 4.06Å; W52-N61 HydrophobicContact CH2-CB 4.4Å; W52-N61 WeakPolarHBondContact CH2-ND2 3.39Å; W52-N61 HydrophobicContact CZ2-CB 3.75Å; W52-N61 PolarHBondContact N-O 2.99Å; W52-N61 PolarHBondContact O-N 2.94Å; W52-R65 PolarHBondContact NE1-O 3.5Å; W52-C68 HydrophobicContact CH2-CB 3.9Å; W52-C68 HydrophobicContact CZ3-CB 4.49Å; W52-K75 VanDerWaalsContact CD1-CE 3.5Å; W52-K75 HydrophobicContact CD2-CB 4.16Å; W52-K75 HydrophobicContact CD2-CD 4.33Å; W52-K75 HydrophobicContact CD2-CG 3.82Å; W52-K75 HydrophobicContact CE3-CB 4.48Å; W52-K75 HydrophobicContact CE3-CG 4.33Å; W52-K75 HydrophobicContact CG-CD 4.06Å; W52-K75 HydrophobicContact CG-CG 3.96Å; W52-K75 HydrophobicContact CH2-CB 4.11Å; W52-K75 HydrophobicContact CZ2-CB 3.8Å; W52-K75 HydrophobicContact CZ2-CG 4.35Å; W52-K75 HydrophobicContact CZ3-CB 4.44Å |
| 53 | S | 89.1 | Confident | 86.7 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 5% | 0.049 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.8 | 178.5 | 25.2 | 0 | 0 | 0 | 0 | 110.2 | G32 H33 S55 N59 | G32-S53 WeakPolarHBondContact CA-O 3.48Å; H33-S53 PolarHBondContact CD2-OG 3.48Å; H33-S53 WeakPolarHBondContact CE1-CB 3.49Å; H33-S53 PolarHBondContact CE1-OG 3.2Å; H33-S53 VanDerWaalsContact CG-OG 3.28Å; H33-S53 PolarHBondContact N-O 3.49Å; H33-S53 PolarHBondContact ND1-O 2.81Å; H33-S53 VanDerWaalsContact ND1-O 3.11Å; H33-S53 PolarHBondContact ND1-OG 2.67Å; H33-S53 WeakPolarHBondContact NE2-CB 3.43Å; H33-S53 PolarHBondContact NE2-OG 3.48Å; H33-S53 PolarHBondContact O-N 3.08Å; H33-S53 PolarHBondContact O-OG 3.48Å; H33-S53 VanDerWaalsContact O-OG 3.13Å; S53-S55 PolarHBondContact O-N 2.92Å; S53-N59 WeakPolarHBondContact CA-O 3.39Å |
| 54 | C | 89.7 | Confident | 87 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 123.9 | -178.8 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | W52 K56 G58 N59 C68 C71 | W52-C54 HydrophobicContact CZ3-CB 3.93Å; C54-K56 PolarHBondContact O-N 3.29Å; C54-K56 PolarHBondContact SG-N 2.75Å; C54-K56 VanDerWaalsContact SG-N 3.41Å; C54-G58 WeakPolarHBondContact O-CA 3.18Å; C54-G58 PolarHBondContact O-N 2.83Å; C54-N59 PolarHBondContact N-O 2.8Å; C54-C68 HydrophobicContact CB-CB 4.04Å; C54-C71 PolarHBondContact SG-SG 3.26Å |
| 55 | S | 85.2 | Confident | 87.4 | Confident | 46 Ų | 46 | 65 Ų | 65 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19 | 177.5 | -55.7 | 0 | 0 | 0 | 0 | 113.4 | Q30 V31 S53 | Q30-S55 PolarHBondContact O-OG 2.8Å; V31-S55 WeakPolarHBondContact O-CB 3.44Å; V31-S55 PolarHBondContact O-N 2.99Å; V31-S55 PolarHBondContact O-OG 3.41Å; S53-S55 PolarHBondContact O-N 2.92Å |
| 56 | K | 84.9 | Confident | 87.7 | Confident | 157 Ų | 157 | 67.9 Ų | 67.9 | 68% | 0.683 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -50 | 178.4 | -60.3 | -160.6 | -169.6 | 177.9 | 0 | 112.8 | V31 C54 A73 | V31-K56 HydrophobicContact CG1-CG 4.27Å; C54-K56 PolarHBondContact O-N 3.29Å; C54-K56 PolarHBondContact SG-N 2.75Å; C54-K56 VanDerWaalsContact SG-N 3.41Å; K56-A73 HydrophobicContact CB-CB 4.4Å; K56-A73 HydrophobicContact CD-CB 3.68Å; K56-A73 HydrophobicContact CG-CB 3.94Å |
| 57 | C | 89.5 | Confident | 88.2 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -7.3 | -173.7 | 67.8 | 0 | 0 | 0 | 0 | 114.8 | N59 C68 C71 | C57-N59 VanDerWaalsContact C-N 3.27Å; C57-N59 PolarHBondContact O-N 3Å; C57-N59 VanDerWaalsContact SG-CB 3.57Å; C57-C68 PolarHBondContact SG-SG 3.38Å; C57-C71 HydrophobicContact CB-CB 4.19Å; C57-C71 PolarHBondContact SG-SG 3.09Å |
| 58 | G | 87.6 | Confident | 88.6 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 55% | 0.546 | 33% | 0.331 | S | S | . | . | trans | 78.5 | -0.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | C54 | C54-G58 WeakPolarHBondContact O-CA 3.18Å; C54-G58 PolarHBondContact O-N 2.83Å | ||
| 59 | N | 91.9 | Very high | 89 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 24% | 0.235 | 34% | 0.338 | C | S | . | . | trans | -69.5 | 137.1 | 179.9 | -172 | 53.4 | 0 | 0 | 0 | 112.7 | S53 C54 C57 N61 I70 | S53-N59 WeakPolarHBondContact CA-O 3.39Å; C54-N59 PolarHBondContact N-O 2.8Å; C57-N59 VanDerWaalsContact C-N 3.27Å; C57-N59 PolarHBondContact O-N 3Å; C57-N59 VanDerWaalsContact SG-CB 3.57Å; N59-N61 PolarHBondContact ND2-OD1 2.94Å; N59-N61 PolarHBondContact O-ND2 2.89Å; N59-N61 VanDerWaalsContact O-ND2 3.09Å; N59-I70 HydrophobicContact CB-CB 4.4Å; N59-I70 HydrophobicContact CB-CD1 3.68Å; N59-I70 HydrophobicContact CB-CG1 3.98Å | ||
| 60 | I | 90.1 | Very high | 89.2 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 30% | 0.297 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 126.6 | 172.4 | -62.7 | 170.8 | 0 | 0 | 0 | 109.3 | I35 F47 D51 | I35-I60 HydrophobicContact CD1-CB 4.19Å; I35-I60 HydrophobicContact CD1-CD1 3.85Å; I35-I60 HydrophobicContact CD1-CG1 3.8Å; I35-I60 HydrophobicContact CD1-CG2 3.4Å; I35-I60 VanDerWaalsContact CD1-CG2 3.4Å; F47-I60 HydrophobicContact CD1-CB 4.43Å; F47-I60 HydrophobicContact CD1-CD1 4.09Å; F47-I60 HydrophobicContact CD1-CG2 3.59Å; F47-I60 HydrophobicContact CD2-CD1 4.2Å; F47-I60 HydrophobicContact CE1-CB 4.09Å; F47-I60 HydrophobicContact CE1-CD1 3.61Å; F47-I60 HydrophobicContact CE1-CG1 4.45Å; F47-I60 HydrophobicContact CE1-CG2 3.72Å; F47-I60 HydrophobicContact CE2-CD1 3.75Å; F47-I60 HydrophobicContact CG-CD1 4.37Å; F47-I60 HydrophobicContact CG-CG2 4.41Å; F47-I60 HydrophobicContact CZ-CD1 3.44Å; F47-I60 VanDerWaalsContact CZ-CD1 3.44Å; D51-I60 HydrophobicContact CB-CG2 4.16Å |
| 61 | N | 91.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 144.6 | -179.1 | -53.7 | -76.5 | 0 | 0 | 0 | 110 | W52 N59 C68 N69 | W52-N61 HydrophobicContact CD2-CB 4.06Å; W52-N61 HydrophobicContact CH2-CB 4.4Å; W52-N61 WeakPolarHBondContact CH2-ND2 3.39Å; W52-N61 HydrophobicContact CZ2-CB 3.75Å; W52-N61 PolarHBondContact N-O 2.99Å; W52-N61 PolarHBondContact O-N 2.94Å; N59-N61 PolarHBondContact ND2-OD1 2.94Å; N59-N61 PolarHBondContact O-ND2 2.89Å; N59-N61 VanDerWaalsContact O-ND2 3.09Å; N61-C68 WeakPolarHBondContact OD1-CA 3.27Å; N61-C68 PolarHBondContact OD1-SG 3.47Å; N61-N69 PolarHBondContact OD1-N 2.86Å |
| 62 | W | 90.3 | Very high | 89.3 | Confident | 138 Ų | 138 | 70.2 Ų | 70.2 | 52% | 0.523 | 36% | 0.361 | S | S | . | . | trans | -58 | 139.6 | 174.7 | -57.3 | -32.5 | 0 | 0 | 0 | 111.6 | D51 R64 R65 | D51-W62 VanDerWaalsContact OD1-CA 3.26Å; D51-W62 WeakPolarHBondContact OD1-CA 3.31Å; W62-R64 HydrophobicContact CB-CG 4.25Å; W62-R64 VanDerWaalsContact CZ3-NH2 3.29Å; W62-R64 PolarHBondContact O-N 3.14Å; W62-R65 VanDerWaalsContact CZ3-NH2 3.34Å; W62-R65 PolarHBondContact O-N 3.06Å | ||
| 63 | A | 88.4 | Confident | 89.1 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43 | -41 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E50 D51 R65 | E50-A63 HydrophobicContact CB-CB 3.53Å; E50-A63 WeakPolarHBondContact O-CA 3.2Å; E50-A63 VanDerWaalsContact O-CB 3.27Å; E50-A63 WeakPolarHBondContact O-CB 3.32Å; D51-A63 PolarHBondContact OD1-N 3.41Å; A63-R65 VanDerWaalsContact C-N 3.27Å; A63-R65 PolarHBondContact O-N 3.49Å |
| 64 | R | 89 | Confident | 88.9 | Confident | 190 Ų | 190 | 72 Ų | 72 | 72% | 0.717 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14.2 | -178.8 | 70.2 | -177.2 | -176.5 | 89.6 | -6.9 | 115.7 | W62 | W62-R64 HydrophobicContact CB-CG 4.25Å; W62-R64 VanDerWaalsContact CZ3-NH2 3.29Å; W62-R64 PolarHBondContact O-N 3.14Å |
| 65 | R | 89.5 | Confident | 88.3 | Confident | 63 Ų | 63 | 74.2 Ų | 74.2 | 24% | 0.238 | 39% | 0.386 | C | S | . | . | trans | -85.7 | 131.2 | -177.7 | -75.4 | -164.5 | 170.5 | 95.5 | -0.7 | 110.8 | W52 W62 A63 | W52-R65 PolarHBondContact NE1-O 3.5Å; W62-R65 VanDerWaalsContact CZ3-NH2 3.34Å; W62-R65 PolarHBondContact O-N 3.06Å; A63-R65 VanDerWaalsContact C-N 3.27Å; A63-R65 PolarHBondContact O-N 3.49Å | ||
| 66 | L | 87.3 | Confident | 87.2 | Confident | 130 Ų | 130 | 76.9 Ų | 76.9 | 68% | 0.681 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -83.9 | -15.1 | 171.4 | -63 | 176 | 0 | 0 | 0 | 113.1 | A74 K75 | L66-A74 CarbonylContact O-C 3.55Å; L66-A74 WeakPolarHBondContact O-CA 3.35Å; L66-K75 PolarHBondContact O-N 3.03Å |
| 67 | Q | 89.8 | Confident | 85.8 | Confident | 117 Ų | 117 | 70.8 Ų | 70.8 | 55% | 0.547 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -134.7 | 149.8 | -177.2 | -68 | 174.7 | -34.5 | 0 | 0 | 110.9 | A73 | Q67-A73 CarbonylContact C-O 3.6Å; Q67-A73 VanDerWaalsContact CA-O 3.32Å; Q67-A73 WeakPolarHBondContact CA-O 3.3Å |
| 68 | C | 92.7 | Very high | 83.8 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.007 | 41% | 0.408 | C | S | . | . | trans | -70 | 136 | 179.3 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | W52 C54 C57 N61 I70 N72 A73 | W52-C68 HydrophobicContact CH2-CB 3.9Å; W52-C68 HydrophobicContact CZ3-CB 4.49Å; C54-C68 HydrophobicContact CB-CB 4.04Å; C57-C68 PolarHBondContact SG-SG 3.38Å; N61-C68 WeakPolarHBondContact OD1-CA 3.27Å; N61-C68 PolarHBondContact OD1-SG 3.47Å; C68-I70 PolarHBondContact O-N 2.95Å; C68-I70 PolarHBondContact SG-N 3.45Å; C68-N72 WeakPolarHBondContact O-CA 3.19Å; C68-N72 PolarHBondContact O-N 3.27Å; C68-N72 PolarHBondContact O-OD1 3.26Å; C68-A73 HydrophobicContact CB-CB 4.3Å; C68-A73 PolarHBondContact N-O 2.81Å | ||
| 69 | N | 91.6 | Very high | 82.4 | Confident | 102 Ų | 102 | 78.2 Ų | 78.2 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.4 | 179.8 | -167.8 | 47.7 | 0 | 0 | 0 | 114.3 | N61 | N61-N69 PolarHBondContact OD1-N 2.86Š|
| 70 | I | 90.9 | Very high | 80.8 | Confident | 111 Ų | 111 | 81.7 Ų | 81.7 | 57% | 0.569 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -51.5 | -176.2 | -60.6 | -169.5 | 0 | 0 | 0 | 111.2 | N59 C68 | N59-I70 HydrophobicContact CB-CB 4.4Å; N59-I70 HydrophobicContact CB-CD1 3.68Å; N59-I70 HydrophobicContact CB-CG1 3.98Å; C68-I70 PolarHBondContact O-N 2.95Å; C68-I70 PolarHBondContact SG-N 3.45Å |
| 71 | C | 91.2 | Very high | 79.4 | Confident | 50 Ų | 50 | 82 Ų | 82 | 34% | 0.338 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 6.3 | -172 | 69.2 | 0 | 0 | 0 | 0 | 114.4 | C54 C57 A73 | C54-C71 PolarHBondContact SG-SG 3.26Å; C57-C71 HydrophobicContact CB-CB 4.19Å; C57-C71 PolarHBondContact SG-SG 3.09Å; C71-A73 PolarHBondContact O-N 2.96Å; C71-A73 VanDerWaalsContact SG-CB 3.57Å |
| 72 | N | 88 | Confident | 78 | Confident | 115 Ų | 115 | 89.2 Ų | 89.2 | 62% | 0.615 | 46% | 0.458 | S | S | * | . | trans | 55.4 | 17.4 | -179.7 | -59.5 | -32 | 0 | 0 | 0 | 115.1 | C68 | C68-N72 WeakPolarHBondContact O-CA 3.19Å; C68-N72 PolarHBondContact O-N 3.27Å; C68-N72 PolarHBondContact O-OD1 3.26Å | ||
| 73 | A | 84.4 | Confident | 77 | Confident | 3 Ų | 3 | 86.5 Ų | 86.5 | 3% | 0.025 | 46% | 0.457 | C | S | . | . | trans | -66.7 | 135 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | V31 K56 Q67 C68 C71 | V31-A73 HydrophobicContact CG1-CB 3.97Å; K56-A73 HydrophobicContact CB-CB 4.4Å; K56-A73 HydrophobicContact CD-CB 3.68Å; K56-A73 HydrophobicContact CG-CB 3.94Å; Q67-A73 CarbonylContact C-O 3.6Å; Q67-A73 VanDerWaalsContact CA-O 3.32Å; Q67-A73 WeakPolarHBondContact CA-O 3.3Å; C68-A73 HydrophobicContact CB-CB 4.3Å; C68-A73 PolarHBondContact N-O 2.81Å; C71-A73 PolarHBondContact O-N 2.96Å; C71-A73 VanDerWaalsContact SG-CB 3.57Å | ||
| 74 | A | 83.4 | Confident | 76 | Confident | 41 Ų | 41 | 85.4 Ų | 85.4 | 34% | 0.339 | 45% | 0.449 | S | S | . | . | B | Isolated β-bridge | trans | -63.6 | 142.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V31 L66 C76 | V31-A74 VanDerWaalsContact CB-O 3.3Å; V31-A74 WeakPolarHBondContact CB-O 2.78Å; V31-A74 WeakPolarHBondContact CG1-O 3.02Å; L66-A74 CarbonylContact O-C 3.55Å; L66-A74 WeakPolarHBondContact O-CA 3.35Å; A74-C76 VanDerWaalsContact C-N 3.35Å |
| 75 | K | 77.1 | Confident | 74.8 | Confident | 48 Ų | 48 | 88 Ų | 88 | 21% | 0.209 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -49.4 | 174.2 | -179.5 | -178.8 | -167.6 | -80.5 | 0 | 110.3 | G32 E34 W52 L66 | G32-K75 PolarHBondContact N-O 2.7Å; G32-K75 VanDerWaalsContact N-O 3.14Å; E34-K75 IonicContact OE1-NZ 3.03Å; E34-K75 PolarHBondContact OE1-NZ 2.79Å; W52-K75 VanDerWaalsContact CD1-CE 3.5Å; W52-K75 HydrophobicContact CD2-CB 4.16Å; W52-K75 HydrophobicContact CD2-CD 4.33Å; W52-K75 HydrophobicContact CD2-CG 3.82Å; W52-K75 HydrophobicContact CE3-CB 4.48Å; W52-K75 HydrophobicContact CE3-CG 4.33Å; W52-K75 HydrophobicContact CG-CD 4.06Å; W52-K75 HydrophobicContact CG-CG 3.96Å; W52-K75 HydrophobicContact CH2-CB 4.11Å; W52-K75 HydrophobicContact CZ2-CB 3.8Å; W52-K75 HydrophobicContact CZ2-CG 4.35Å; W52-K75 HydrophobicContact CZ3-CB 4.44Å; L66-K75 PolarHBondContact O-N 3.03Å |
| 76 | C | 62 | Low | 73.9 | Confident | 101 Ų | 101 | 88.9 Ų | 88.9 | 68% | 0.682 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.5 | 76.7 | -179.6 | 32 | 0 | 0 | 0 | 0 | 107.8 | A74 | A74-C76 VanDerWaalsContact C-N 3.35Š|
| 77 | G | 56.3 | Low | 73 | Confident | 29 Ų | 29 | 84.7 Ų | 84.7 | 30% | 0.299 | 48% | 0.478 | S | S | . | . | trans | -88 | 125.6 | 155 | 0 | 0 | 0 | 0 | 0 | 106.6 | V79 | G77-V79 PolarHBondContact O-N 3.26Š| ||
| 78 | E | 48.2 | Very low | 72.2 | Confident | 186 Ų | 186 | 80 Ų | 80 | 87% | 0.869 | 46% | 0.461 | S | S | * | . | trans | -47.8 | 98.1 | 159.7 | -173.6 | 99.6 | -145.4 | 0 | 0 | 106.3 | E80 | E78-E80 PolarHBondContact O-N 2.59Š| ||
| 79 | V | 57.8 | Low | 70.7 | Confident | 82 Ų | 82 | 84.2 Ų | 84.2 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | trans | -75.7 | 84.8 | 167.7 | -177.6 | 0 | 0 | 0 | 0 | 103.1 | V31 G77 A81 | V31-V79 HydrophobicContact CG2-CG2 3.27Å; G77-V79 PolarHBondContact O-N 3.26Å; V79-A81 PolarHBondContact O-N 3.42Å | ||
| 80 | E | 58.3 | Low | 69.6 | Low | 117 Ų | 117 | 83.4 Ų | 83.4 | 55% | 0.547 | 47% | 0.471 | S | S | . | . | trans | -43.7 | 116.8 | 173.8 | -161.9 | 179 | -164.3 | 0 | 0 | 106.9 | E78 R82 Y89 | E78-E80 PolarHBondContact O-N 2.59Å; E80-R82 PolarHBondContact O-N 3.09Å; E80-Y89 HydrophobicContact CB-CE2 4.26Å; E80-Y89 HydrophobicContact CG-CE2 3.62Å; E80-Y89 WeakPolarHBondContact CG-OH 3.38Å; E80-Y89 PolarHBondContact OE1-OH 3.18Å; E80-Y89 WeakPolarHBondContact OE2-CE2 3.21Å | ||
| 81 | A | 60.2 | Low | 68.6 | Low | 64 Ų | 64 | 84.5 Ų | 84.5 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | trans | -58.4 | 114.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | V79 T83 | V79-A81 PolarHBondContact O-N 3.42Å; A81-T83 HydrophobicContact CB-CG2 3.66Å; A81-T83 WeakPolarHBondContact O-CG2 3.17Å; A81-T83 PolarHBondContact O-N 2.92Å | ||
| 82 | R | 62.7 | Low | 67.5 | Low | 152 Ų | 152 | 92.6 Ų | 92.6 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | trans | -77.4 | 74.9 | 178.2 | -159.2 | 152.5 | 173.4 | 85.1 | 3.9 | 107.9 | E80 G84 G87 G88 | E80-R82 PolarHBondContact O-N 3.09Å; R82-G84 PolarHBondContact O-N 2.85Å; R82-G87 WeakPolarHBondContact CD-O 3.44Å; R82-G87 PolarHBondContact NE-O 3.38Å; R82-G87 PolarHBondContact NH2-O 3.37Å; R82-G88 WeakPolarHBondContact CG-O 3.29Å; R82-G88 VanDerWaalsContact CZ-C 3.48Å; R82-G88 VanDerWaalsContact CZ-CA 3.49Å | ||
| 83 | T | 67.4 | Low | 66.3 | Low | 82 Ų | 82 | 93 Ų | 93 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | trans | -78.1 | -4 | -169 | 52.2 | 0 | 0 | 0 | 0 | 113 | A81 M90 | A81-T83 HydrophobicContact CB-CG2 3.66Å; A81-T83 WeakPolarHBondContact O-CG2 3.17Å; A81-T83 PolarHBondContact O-N 2.92Å; T83-M90 VanDerWaalsContact O-CE 3.29Å; T83-M90 WeakPolarHBondContact O-CE 3.07Å; T83-M90 WeakPolarHBondContact OG1-CE 3.42Å; T83-M90 VanDerWaalsContact OG1-CG 3.3Å; T83-M90 WeakPolarHBondContact OG1-CG 3.3Å; T83-M90 PolarHBondContact OG1-SD 2.9Å | ||
| 84 | G | 67.4 | Low | 65.1 | Low | 10 Ų | 10 | 101.8 Ų | 101.8 | 10% | 0.103 | 54% | 0.54 | C | S | . | . | B | Isolated β-bridge | trans | -74.7 | 145.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R82 G86 G87 G88 | R82-G84 PolarHBondContact O-N 2.85Å; G84-G86 PolarHBondContact O-N 2.99Å; G84-G87 PolarHBondContact O-N 2.79Å; G84-G87 VanDerWaalsContact O-N 3.09Å; G84-G88 WeakPolarHBondContact CA-O 3.48Å; G84-G88 PolarHBondContact N-O 2.78Å; G84-G88 PolarHBondContact O-N 3.46Å |
| 85 | Y | 64.2 | Low | 64 | Low | 243 Ų | 243 | 104.4 Ų | 104.4 | 95% | 0.953 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | 131.4 | 171.3 | -124 | -95.9 | 0 | 0 | 0 | 110.2 | ||
| 86 | G | 71.4 | Confident | 63.2 | Low | 82 Ų | 82 | 110.7 Ų | 110.7 | 85% | 0.845 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.3 | 12.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G84 | G84-G86 PolarHBondContact O-N 2.99Š|
| 87 | G | 68.9 | Low | 63 | Low | 43 Ų | 43 | 116.5 Ų | 116.5 | 44% | 0.443 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 68.9 | 51.6 | -176 | 0 | 0 | 0 | 0 | 0 | 109.9 | R82 G84 | R82-G87 WeakPolarHBondContact CD-O 3.44Å; R82-G87 PolarHBondContact NE-O 3.38Å; R82-G87 PolarHBondContact NH2-O 3.37Å; G84-G87 PolarHBondContact O-N 2.79Å; G84-G87 VanDerWaalsContact O-N 3.09Å |
| 88 | G | 71.2 | Confident | 63.1 | Low | 18 Ų | 18 | 125.3 Ų | 125.3 | 19% | 0.186 | 61% | 0.614 | C | S | . | * | B | Isolated β-bridge | trans | -106.8 | 157.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | R82 G84 | R82-G88 WeakPolarHBondContact CG-O 3.29Å; R82-G88 VanDerWaalsContact CZ-C 3.48Å; R82-G88 VanDerWaalsContact CZ-CA 3.49Å; G84-G88 WeakPolarHBondContact CA-O 3.48Å; G84-G88 PolarHBondContact N-O 2.78Å; G84-G88 PolarHBondContact O-N 3.46Å |
| 89 | Y | 62.1 | Low | 63.7 | Low | 90 Ų | 90 | 127 Ų | 127 | 35% | 0.353 | 61% | 0.612 | S | S | . | * | trans | -76.9 | 149.2 | 158.3 | -138.1 | -101.2 | 0 | 0 | 0 | 106.7 | E80 D91 | E80-Y89 HydrophobicContact CB-CE2 4.26Å; E80-Y89 HydrophobicContact CG-CE2 3.62Å; E80-Y89 WeakPolarHBondContact CG-OH 3.38Å; E80-Y89 PolarHBondContact OE1-OH 3.18Å; E80-Y89 WeakPolarHBondContact OE2-CE2 3.21Å; Y89-D91 WeakPolarHBondContact CB-OD2 3.39Å; Y89-D91 PolarHBondContact O-N 2.78Å | ||
| 90 | M | 69.5 | Low | 63.7 | Low | 84 Ų | 84 | 127.7 Ų | 127.7 | 41% | 0.414 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -67.4 | 23 | -168.3 | -65 | -159.3 | 144.7 | 0 | 0 | 115.1 | T83 R92 Q93 | T83-M90 VanDerWaalsContact O-CE 3.29Å; T83-M90 WeakPolarHBondContact O-CE 3.07Å; T83-M90 WeakPolarHBondContact OG1-CE 3.42Å; T83-M90 VanDerWaalsContact OG1-CG 3.3Å; T83-M90 WeakPolarHBondContact OG1-CG 3.3Å; T83-M90 PolarHBondContact OG1-SD 2.9Å; M90-R92 PolarHBondContact O-N 3.33Å; M90-Q93 HydrophobicContact CB-CG 4.32Å; M90-Q93 PolarHBondContact O-N 2.49Å; M90-Q93 PolarHBondContact SD-NE2 3.24Å; M90-Q93 PolarHBondContact SD-OE1 3.21Å |
| 91 | D | 69.2 | Low | 63.8 | Low | 135 Ų | 135 | 126.4 Ų | 126.4 | 72% | 0.722 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -18.3 | -168 | -52.3 | -38.3 | 0 | 0 | 0 | 114.1 | Y89 | Y89-D91 WeakPolarHBondContact CB-OD2 3.39Å; Y89-D91 PolarHBondContact O-N 2.78Å |
| 92 | R | 67.3 | Low | 63.9 | Low | 220 Ų | 220 | 127.2 Ų | 127.2 | 83% | 0.83 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 10.5 | -175.2 | -111.4 | -179.7 | -169.5 | 148.3 | 3.4 | 115.5 | M90 Q94 V95 | M90-R92 PolarHBondContact O-N 3.33Å; R92-Q94 VanDerWaalsContact C-N 3.27Å; R92-Q94 PolarHBondContact O-N 2.74Å; R92-V95 HydrophobicContact CG-CG2 3.94Å |
| 93 | Q | 63.2 | Low | 63.8 | Low | 123 Ų | 123 | 125.4 Ų | 125.4 | 58% | 0.575 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -16.1 | -172.5 | -72.7 | 175.1 | 14.6 | 0 | 0 | 114.6 | M90 | M90-Q93 HydrophobicContact CB-CG 4.32Å; M90-Q93 PolarHBondContact O-N 2.49Å; M90-Q93 PolarHBondContact SD-NE2 3.24Å; M90-Q93 PolarHBondContact SD-OE1 3.21Å |
| 94 | Q | 59.7 | Low | 63.7 | Low | 187 Ų | 187 | 127.3 Ų | 127.3 | 87% | 0.874 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | 57.6 | 175.1 | -164.1 | 174.6 | 75.8 | 0 | 0 | 110.4 | R92 | R92-Q94 VanDerWaalsContact C-N 3.27Å; R92-Q94 PolarHBondContact O-N 2.74Å |
| 95 | V | 59.7 | Low | 64 | Low | 96 Ų | 96 | 129.2 Ų | 129.2 | 58% | 0.582 | 64% | 0.639 | S | S | * | * | trans | -105 | 74.7 | 158.9 | -164.5 | 0 | 0 | 0 | 0 | 107.2 | R92 R97 | R92-V95 HydrophobicContact CG-CG2 3.94Å; V95-R97 PolarHBondContact O-N 3.34Å; V95-R97 VanDerWaalsContact O-N 3.09Å | ||
| 96 | E | 59.7 | Low | 64.7 | Low | 180 Ų | 180 | 123 Ų | 123 | 84% | 0.841 | 62% | 0.615 | S | S | * | * | trans | -63.6 | 109.3 | 153.3 | -160.3 | 176 | -152.5 | 0 | 0 | 104.6 | R98 | E96-R98 PolarHBondContact O-N 3.35Š| ||
| 97 | R | 57.9 | Low | 65.3 | Low | 224 Ų | 224 | 121.8 Ų | 121.8 | 85% | 0.845 | 59% | 0.589 | S | S | * | * | trans | -58.5 | 100.3 | 166.8 | -78.7 | -169.2 | -75.7 | 157.7 | -5.8 | 104.9 | V95 R99 | V95-R97 PolarHBondContact O-N 3.34Å; V95-R97 VanDerWaalsContact O-N 3.09Å; R97-R99 VanDerWaalsContact C-N 3.28Å; R97-R99 PolarHBondContact O-N 3.05Å | ||
| 98 | R | 59 | Low | 65.9 | Low | 213 Ų | 213 | 128.6 Ų | 128.6 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | trans | -56.7 | 103.6 | 171.2 | -154.7 | -169.7 | -163.3 | -147.2 | 6 | 104.6 | E96 N100 | E96-R98 PolarHBondContact O-N 3.35Å; R98-N100 PolarHBondContact O-N 3.09Å | ||
| 99 | R | 60.3 | Low | 66.5 | Low | 221 Ų | 221 | 135.6 Ų | 135.6 | 83% | 0.834 | 64% | 0.635 | S | S | * | * | trans | -68.8 | 88.6 | -178.4 | -158.9 | 175.6 | -165.6 | 161.5 | 1.4 | 105.3 | R97 A101 | R97-R99 VanDerWaalsContact C-N 3.28Å; R97-R99 PolarHBondContact O-N 3.05Å; R99-A101 PolarHBondContact O-N 2.99Å | ||
| 100 | N | 59.3 | Low | 67.1 | Low | 98 Ų | 98 | 133.8 Ų | 133.8 | 52% | 0.524 | 64% | 0.643 | S | S | . | * | trans | -63.1 | 126.5 | 174.4 | -78.1 | -5.3 | 0 | 0 | 0 | 105.7 | R98 S102 D103 | R98-N100 PolarHBondContact O-N 3.09Å; N100-S102 PolarHBondContact O-N 3.13Å; N100-D103 PolarHBondContact O-N 2.97Å; N100-D103 VanDerWaalsContact O-N 3.09Å | ||
| 101 | A | 60.5 | Low | 67.7 | Low | 90 Ų | 90 | 137.2 Ų | 137.2 | 74% | 0.744 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -57.5 | -3.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R99 | R99-A101 PolarHBondContact O-N 2.99Š|
| 102 | S | 60.4 | Low | 68.1 | Low | 80 Ų | 80 | 139.6 Ų | 139.6 | 56% | 0.559 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -77.1 | -15.3 | 174.6 | -171.5 | 0 | 0 | 0 | 0 | 114.2 | N100 D104 E105 | N100-S102 PolarHBondContact O-N 3.13Å; S102-D104 PolarHBondContact O-N 3.31Å; S102-E105 WeakPolarHBondContact O-CB 3.38Å; S102-E105 PolarHBondContact O-N 2.95Å |
| 103 | D | 61 | Low | 68.6 | Low | 115 Ų | 115 | 135.8 Ų | 135.8 | 62% | 0.615 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -74.5 | -12.8 | 178.5 | -159.8 | 29.7 | 0 | 0 | 0 | 112.3 | N100 E105 | N100-D103 PolarHBondContact O-N 2.97Å; N100-D103 VanDerWaalsContact O-N 3.09Å; D103-E105 VanDerWaalsContact C-N 3.28Å |
| 104 | D | 65.9 | Low | 69.2 | Low | 122 Ų | 122 | 139.2 Ų | 139.2 | 65% | 0.652 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -82.7 | -4.5 | 174.3 | -67.1 | -33.3 | 0 | 0 | 0 | 113.1 | S102 Y106 | S102-D104 PolarHBondContact O-N 3.31Å; D104-Y106 VanDerWaalsContact C-N 3.29Å |
| 105 | E | 72.8 | Confident | 69.6 | Low | 49 Ų | 49 | 137.2 Ų | 137.2 | 23% | 0.229 | 64% | 0.641 | C | S | . | * | G | 310 helix | trans | -79.3 | -11.6 | 176.6 | -173.1 | 79.7 | -107.6 | 0 | 0 | 111.5 | S102 D103 R112 K113 K115 | S102-E105 WeakPolarHBondContact O-CB 3.38Å; S102-E105 PolarHBondContact O-N 2.95Å; D103-E105 VanDerWaalsContact C-N 3.28Å; E105-R112 HydrophobicContact CG-CG 3.93Å; E105-R112 CarbonylContact O-C 3.49Å; E105-R112 WeakPolarHBondContact O-CA 3.37Å; E105-K113 WeakPolarHBondContact O-CB 3.01Å; E105-K113 PolarHBondContact O-N 2.79Å; E105-K115 WeakPolarHBondContact OE1-CE 3.32Å; E105-K115 IonicContact OE1-NZ 3.69Å; E105-K115 WeakPolarHBondContact OE2-CE 3.46Å; E105-K115 IonicContact OE2-NZ 3.55Å; E105-K115 PolarHBondContact OE2-NZ 3.02Å |
| 106 | Y | 79.7 | Confident | 70.1 | Confident | 113 Ų | 113 | 138.4 Ų | 138.4 | 44% | 0.443 | 65% | 0.649 | S | S | . | * | B | Isolated β-bridge | trans | -122.4 | 138.4 | -178.6 | -62.2 | -87.8 | 0 | 0 | 0 | 111.2 | D104 G110 R111 R112 | D104-Y106 VanDerWaalsContact C-N 3.29Å; Y106-G110 WeakPolarHBondContact CD1-O 3.44Å; Y106-R111 CarbonylContact C-O 3.5Å; Y106-R111 VanDerWaalsContact CA-O 3.3Å; Y106-R111 WeakPolarHBondContact CA-O 3.32Å; Y106-R112 HydrophobicContact CD1-CB 4.06Å; Y106-R112 HydrophobicContact CD1-CG 4.42Å; Y106-R112 HydrophobicContact CE1-CB 3.74Å; Y106-R112 HydrophobicContact CE1-CG 3.92Å |
| 107 | D | 83.5 | Confident | 70 | Confident | 56 Ų | 56 | 138 Ų | 138 | 30% | 0.299 | 65% | 0.653 | S | S | . | * | trans | -70.2 | 171.3 | 172.5 | 77.6 | 2.7 | 0 | 0 | 0 | 111 | F109 G110 R111 | D107-F109 PolarHBondContact O-N 2.87Å; D107-F109 WeakPolarHBondContact OD1-CA 3.3Å; D107-F109 WeakPolarHBondContact OD1-CB 3.42Å; D107-F109 PolarHBondContact OD1-N 2.79Å; D107-G110 PolarHBondContact O-N 2.78Å; D107-G110 PolarHBondContact OD1-N 3.01Å; D107-G110 VanDerWaalsContact OD1-N 3.1Å; D107-R111 PolarHBondContact N-O 3.22Å; D107-R111 WeakPolarHBondContact OD1-CB 3.27Å; D107-R111 PolarHBondContact OD1-N 2.84Å; D107-R111 IonicContact OD1-NE 2.8Å; D107-R111 IonicContact OD2-CZ 3.46Å; D107-R111 IonicContact OD2-NE 3.92Å; D107-R111 PolarHBondContact OD2-NE 3.1Å; D107-R111 IonicContact OD2-NH2 2.97Å; D107-R111 PolarHBondContact OD2-NH2 2.95Å | ||
| 108 | H | 81.8 | Confident | 69.8 | Low | 187 Ų | 187 | 130.7 Ų | 130.7 | 87% | 0.866 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -17.3 | 178.9 | -176.1 | 60.7 | 0 | 0 | 0 | 113.8 | ||
| 109 | F | 83.9 | Confident | 69.6 | Low | 164 Ų | 164 | 127.4 Ų | 127.4 | 72% | 0.719 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 3.8 | 175.9 | -65.9 | -85.8 | 0 | 0 | 0 | 112.6 | D107 | D107-F109 PolarHBondContact O-N 2.87Å; D107-F109 WeakPolarHBondContact OD1-CA 3.3Å; D107-F109 WeakPolarHBondContact OD1-CB 3.42Å; D107-F109 PolarHBondContact OD1-N 2.79Å |
| 110 | G | 75.2 | Confident | 69.2 | Low | 52 Ų | 52 | 120.2 Ų | 120.2 | 54% | 0.536 | 61% | 0.608 | S | S | . | * | S | Bend | trans | 80.2 | 13.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y106 D107 | Y106-G110 WeakPolarHBondContact CD1-O 3.44Å; D107-G110 PolarHBondContact O-N 2.78Å; D107-G110 PolarHBondContact OD1-N 3.01Å; D107-G110 VanDerWaalsContact OD1-N 3.1Å |
| 111 | R | 80.9 | Confident | 68.9 | Low | 156 Ų | 156 | 117.3 Ų | 117.3 | 59% | 0.589 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 136.7 | 178.8 | -62 | -180 | -64.4 | -154.4 | -3.2 | 110.8 | Y106 D107 K113 | Y106-R111 CarbonylContact C-O 3.5Å; Y106-R111 VanDerWaalsContact CA-O 3.3Å; Y106-R111 WeakPolarHBondContact CA-O 3.32Å; D107-R111 PolarHBondContact N-O 3.22Å; D107-R111 WeakPolarHBondContact OD1-CB 3.27Å; D107-R111 PolarHBondContact OD1-N 2.84Å; D107-R111 IonicContact OD1-NE 2.8Å; D107-R111 IonicContact OD2-CZ 3.46Å; D107-R111 IonicContact OD2-NE 3.92Å; D107-R111 PolarHBondContact OD2-NE 3.1Å; D107-R111 IonicContact OD2-NH2 2.97Å; D107-R111 PolarHBondContact OD2-NH2 2.95Å; R111-K113 PolarHBondContact O-N 3.25Å |
| 112 | R | 79.1 | Confident | 68.5 | Low | 186 Ų | 186 | 120 Ų | 120 | 70% | 0.702 | 60% | 0.598 | S | S | * | * | B | Isolated β-bridge | trans | -60.9 | 121.9 | 179.2 | -157.4 | 166.9 | 63.7 | 169.3 | -2 | 110.1 | E105 Y106 K114 | E105-R112 HydrophobicContact CG-CG 3.93Å; E105-R112 CarbonylContact O-C 3.49Å; E105-R112 WeakPolarHBondContact O-CA 3.37Å; Y106-R112 HydrophobicContact CD1-CB 4.06Å; Y106-R112 HydrophobicContact CD1-CG 4.42Å; Y106-R112 HydrophobicContact CE1-CB 3.74Å; Y106-R112 HydrophobicContact CE1-CG 3.92Å; R112-K114 PolarHBondContact O-N 3.43Å |
| 113 | K | 76.4 | Confident | 68 | Low | 140 Ų | 140 | 124.8 Ų | 124.8 | 61% | 0.609 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 123.1 | 179.4 | -172.6 | 176 | 179.4 | 179.2 | 0 | 109 | E105 R111 K115 | E105-K113 WeakPolarHBondContact O-CB 3.01Å; E105-K113 PolarHBondContact O-N 2.79Å; R111-K113 PolarHBondContact O-N 3.25Å; K113-K115 PolarHBondContact O-N 2.81Å; K113-K115 VanDerWaalsContact O-N 3.1Å |
| 114 | K | 75.7 | Confident | 67.5 | Low | 194 Ų | 194 | 127.5 Ų | 127.5 | 84% | 0.843 | 61% | 0.606 | S | S | * | * | trans | -60.1 | 115.2 | 177.6 | -173 | 169.6 | -177.5 | 170.5 | 0 | 109.9 | R112 T116 | R112-K114 PolarHBondContact O-N 3.43Å; K114-T116 PolarHBondContact O-N 3.21Å; K114-T116 VanDerWaalsContact O-N 3.11Å | ||
| 115 | K | 69.4 | Low | 66.7 | Low | 145 Ų | 145 | 128.6 Ų | 128.6 | 63% | 0.63 | 61% | 0.612 | S | S | * | * | trans | -65.8 | 108.1 | 173.2 | -65.3 | 179.3 | -175.2 | -177 | 0 | 108.3 | E105 K113 N117 | E105-K115 WeakPolarHBondContact OE1-CE 3.32Å; E105-K115 IonicContact OE1-NZ 3.69Å; E105-K115 WeakPolarHBondContact OE2-CE 3.46Å; E105-K115 IonicContact OE2-NZ 3.55Å; E105-K115 PolarHBondContact OE2-NZ 3.02Å; K113-K115 PolarHBondContact O-N 2.81Å; K113-K115 VanDerWaalsContact O-N 3.1Å; K115-N117 PolarHBondContact O-N 2.72Å; K115-N117 VanDerWaalsContact O-N 3.13Å | ||
| 116 | T | 69.5 | Low | 65.5 | Low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | trans | -71.6 | 105.4 | 169.3 | 59.2 | 0 | 0 | 0 | 0 | 107.6 | K114 N118 | K114-T116 PolarHBondContact O-N 3.21Å; K114-T116 VanDerWaalsContact O-N 3.11Å; T116-N118 PolarHBondContact O-N 3.33Å | ||
| 117 | N | 58.5 | Low | 63.5 | Low | 171 Ų | 171 | 137.1 Ų | 137.1 | 91% | 0.914 | 65% | 0.654 | S | S | * | * | trans | -68.7 | 51.5 | 170.6 | -88 | -21.9 | 0 | 0 | 0 | 111.6 | K115 | K115-N117 PolarHBondContact O-N 2.72Å; K115-N117 VanDerWaalsContact O-N 3.13Å | ||
| 118 | N | 53.1 | Low | 61.2 | Low | 71 Ų | 71 | 141.4 Ų | 141.4 | 38% | 0.38 | 68% | 0.677 | S | S | . | * | trans | -105.5 | 67.6 | 174.5 | -161.2 | -17.1 | 0 | 0 | 0 | 108.6 | T116 S120 A121 | T116-N118 PolarHBondContact O-N 3.33Å; N118-S120 PolarHBondContact O-N 2.81Å; N118-S120 VanDerWaalsContact OD1-C 3.25Å; N118-S120 WeakPolarHBondContact OD1-CA 2.83Å; N118-S120 WeakPolarHBondContact OD1-CB 3.49Å; N118-S120 PolarHBondContact OD1-N 2.76Å; N118-S120 PolarHBondContact OD1-OG 3Å; N118-A121 HydrophobicContact CB-CB 3.96Å; N118-A121 WeakPolarHBondContact ND2-CB 3.45Å; N118-A121 PolarHBondContact O-N 3.09Å; N118-A121 WeakPolarHBondContact OD1-CB 3.2Å; N118-A121 PolarHBondContact OD1-N 3.4Å | ||
| 119 | E | 55.3 | Low | 59.2 | Low | 144 Ų | 144 | 141.7 Ų | 141.7 | 67% | 0.673 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -52.4 | -20.5 | 166.8 | -159.9 | -167.8 | 117.4 | 0 | 0 | 111.1 | R123 | E119-R123 IonicContact OE1-NE 3.01Å; E119-R123 IonicContact OE1-NH2 3.5Å; E119-R123 PolarHBondContact OE1-NH2 3.28Å |
| 120 | S | 51.8 | Low | 57.1 | Low | 70 Ų | 70 | 138.3 Ų | 138.3 | 49% | 0.49 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -82.7 | -14.4 | 178.4 | -21 | 0 | 0 | 0 | 0 | 114.3 | N118 R124 | N118-S120 PolarHBondContact O-N 2.81Å; N118-S120 VanDerWaalsContact OD1-C 3.25Å; N118-S120 WeakPolarHBondContact OD1-CA 2.83Å; N118-S120 WeakPolarHBondContact OD1-CB 3.49Å; N118-S120 PolarHBondContact OD1-N 2.76Å; N118-S120 PolarHBondContact OD1-OG 3Å; S120-R124 PolarHBondContact O-NE 3.16Å; S120-R124 PolarHBondContact O-NH2 3.34Å |
| 121 | A | 52.6 | Low | 55.6 | Low | 37 Ų | 37 | 142.2 Ų | 142.2 | 31% | 0.306 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -94.8 | -32.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N118 R123 R124 | N118-A121 HydrophobicContact CB-CB 3.96Å; N118-A121 WeakPolarHBondContact ND2-CB 3.45Å; N118-A121 PolarHBondContact O-N 3.09Å; N118-A121 WeakPolarHBondContact OD1-CB 3.2Å; N118-A121 PolarHBondContact OD1-N 3.4Å; A121-R123 VanDerWaalsContact C-N 3.34Å; A121-R124 PolarHBondContact O-N 3.34Å |
| 122 | L | 52 | Low | 53.8 | Low | 145 Ų | 145 | 139.6 Ų | 139.6 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -73.9 | -23.5 | 177.3 | -95.2 | 149.7 | 0 | 0 | 0 | 113.4 | ||
| 123 | R | 51.1 | Low | 52.1 | Low | 182 Ų | 182 | 135.5 Ų | 135.5 | 69% | 0.687 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -18 | 175.9 | -61.7 | -178.5 | -176.6 | -93.3 | 6.1 | 113.6 | E119 A121 | E119-R123 IonicContact OE1-NE 3.01Å; E119-R123 IonicContact OE1-NH2 3.5Å; E119-R123 PolarHBondContact OE1-NH2 3.28Å; A121-R123 VanDerWaalsContact C-N 3.34Å |
| 124 | R | 49.5 | Very low | 50.6 | Low | 172 Ų | 172 | 134.7 Ų | 134.7 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -15.7 | -178.2 | -86.8 | -176.8 | -85.8 | 174.6 | -5.1 | 114 | S120 A121 | S120-R124 PolarHBondContact O-NE 3.16Å; S120-R124 PolarHBondContact O-NH2 3.34Å; A121-R124 PolarHBondContact O-N 3.34Å |
| 125 | N | 49 | Very low | 49.1 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 11.9 | -178 | -66.2 | 11.2 | 0 | 0 | 0 | 113.7 | ||
| 126 | V | 46.8 | Very low | 48.2 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -119.2 | 35.4 | -178.8 | -170.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 127 | R | 38.2 | Very low | 46.9 | Very low | 220 Ų | 220 | 136.6 Ų | 136.6 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -138.9 | 111.8 | 169.5 | -72.1 | -174.7 | 177.1 | -175.3 | -2.2 | 108.8 | ||
| 128 | D | 35.3 | Very low | 46.1 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 78% | 0.775 | 70% | 0.702 | S | S | * | * | trans | 67.3 | 121 | 168.1 | -107.8 | -76.9 | 0 | 0 | 0 | 116.4 | ||||
| 129 | E | 40.3 | Very low | 45.7 | Very low | 193 Ų | 193 | 137 Ų | 137 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | trans | -164.1 | 75.4 | 133.8 | -80.8 | -123.4 | 101.7 | 0 | 0 | 107.6 | ||||
| 130 | S | 40.5 | Very low | 45.2 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | trans | -71.8 | 142.6 | 145.1 | -64.7 | 0 | 0 | 0 | 0 | 107.6 | S132 | S130-S132 PolarHBondContact O-N 3.1Š| ||
| 131 | P | 42.2 | Very low | 44.9 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 87% | 0.87 | 73% | 0.734 | S | S | * | * | trans | -81.5 | 109.8 | -167.2 | 31.7 | -31.5 | 0 | 0 | 0 | 110.8 | ||||
| 132 | S | 43.5 | Very low | 44.7 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | -153.1 | 105.9 | 160 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | S130 | S130-S132 PolarHBondContact O-N 3.1Š| ||
| 133 | S | 44.5 | Very low | 44.6 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | 58.7 | 116 | 137.4 | 63.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 134 | D | 44.1 | Very low | 44.4 | Very low | 122 Ų | 122 | 140 Ų | 140 | 65% | 0.652 | 76% | 0.764 | S | S | * | * | 73.2 | 109.7 | 128.3 | -79.5 | -67.7 | 0 | 0 | 0 | 120.5 | |||||
| 135 | R | 44.7 | Very low | 44.5 | Very low | 216 Ų | 216 | 143.1 Ų | 143.1 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | 96.1 | 116.2 | 125.1 | -67.5 | 169.5 | -168.1 | -169.2 | -0.1 | 120.1 | |||||
| 136 | S | 50.3 | Low | 44.7 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | 98.4 | 93.8 | 128.7 | 67.5 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 137 | N | 42.8 | Very low | 45 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | 57.4 | 122.2 | 113 | -165.6 | 62.5 | 0 | 0 | 0 | 122 | |||||
| 138 | G | 41.4 | Very low | 45.7 | Very low | 66 Ų | 66 | 138.1 Ų | 138.1 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | trans | 112.1 | 144 | 150 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 139 | K | 45 | Very low | 46.8 | Very low | 184 Ų | 184 | 139 Ų | 139 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | cis | 177.5 | 134.2 | 6.4 | 146.7 | 150.8 | -177.4 | 157.5 | 0 | 106.3 | ||||
| 140 | V | 44.4 | Very low | 47.5 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 53.6 | 154.6 | 153.3 | -56.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 141 | G | 44.1 | Very low | 48.5 | Very low | 57 Ų | 57 | 139.5 Ų | 139.5 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | cis | -153 | 158.3 | 3.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 142 | L | 48.1 | Very low | 49.3 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | 58.7 | 92.9 | 79.5 | -86.2 | 165.7 | 0 | 0 | 0 | 114.5 | |||||
| 143 | D | 51.6 | Low | 49.8 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -151.1 | 125.3 | 148 | 50.1 | -71.9 | 0 | 0 | 0 | 111.8 | ||||
| 144 | D | 46.9 | Very low | 50.5 | Low | 129 Ų | 129 | 146.3 Ų | 146.3 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | trans | -78.5 | 158 | 178.5 | -54.9 | -91.9 | 0 | 0 | 0 | 113.2 | ||||
| 145 | R | 51.6 | Low | 51.1 | Low | 238 Ų | 238 | 147.4 Ų | 147.4 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | 164.5 | 105.6 | 149.9 | -88.9 | 151.7 | -168.6 | -151.5 | 3.8 | 109.1 | ||||
| 146 | D | 52.8 | Low | 51.7 | Low | 163 Ų | 163 | 144.1 Ų | 144.1 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | 70.3 | 131.7 | 77.6 | -73.2 | -43.4 | 0 | 0 | 0 | 115.3 | |||||
| 147 | G | 51.8 | Low | 52 | Low | 72 Ų | 72 | 145.7 Ų | 145.7 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 115.1 | 86.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 148 | D | 54.3 | Low | 52.8 | Low | 145 Ų | 145 | 145.2 Ų | 145.2 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | 56.2 | 105.9 | 70.4 | -127.9 | -7.1 | 0 | 0 | 0 | 111.9 | |||||
| 149 | D | 58.6 | Low | 53.4 | Low | 164 Ų | 164 | 146.9 Ų | 146.9 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -168.6 | 114.3 | 144.4 | -96.3 | -35.9 | 0 | 0 | 0 | 108.2 | ||||
| 150 | D | 54.8 | Low | 54.2 | Low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -57.2 | 140.5 | 167.8 | -64.2 | -65.4 | 0 | 0 | 0 | 110.9 | ||||
| 151 | D | 60.4 | Low | 55 | Low | 159 Ų | 159 | 143.7 Ų | 143.7 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -148.9 | 96.1 | 156.9 | -92.3 | -40.5 | 0 | 0 | 0 | 108.9 | ||||
| 152 | D | 59.3 | Low | 55.9 | Low | 150 Ų | 150 | 145.8 Ų | 145.8 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | 13.5 | 120.7 | 156.6 | -67.2 | -45.2 | 0 | 0 | 0 | 120.4 | ||||
| 153 | D | 54.6 | Low | 56.7 | Low | 151 Ų | 151 | 145 Ų | 145 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -70.6 | 119.3 | 158.1 | -65.9 | -57.8 | 0 | 0 | 0 | 110.4 | ||||
| 154 | E | 58.2 | Low | 57.4 | Low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -118.1 | 92.5 | 156.5 | -72.7 | -171.9 | 172.1 | 0 | 0 | 108.3 | D156 | E154-D156 PolarHBondContact O-N 2.8Š| ||
| 155 | D | 56.6 | Low | 58.5 | Low | 145 Ų | 145 | 143.5 Ų | 143.5 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -73.2 | 97.3 | 167.4 | -75.3 | -46.8 | 0 | 0 | 0 | 109.4 | D157 | D155-D157 PolarHBondContact O-N 3.11Š| ||
| 156 | D | 57.4 | Low | 59.4 | Low | 147 Ų | 147 | 139.7 Ų | 139.7 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -85 | 92.3 | 165.7 | -85 | -32.9 | 0 | 0 | 0 | 110 | E154 D158 | E154-D156 PolarHBondContact O-N 2.8Å; D156-D158 VanDerWaalsContact C-N 3.34Å; D156-D158 PolarHBondContact O-N 3.31Å; D156-D158 VanDerWaalsContact O-N 3.16Å | ||
| 157 | D | 58.3 | Low | 60 | Low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -80.5 | 68.8 | 177.6 | -137.8 | -3.2 | 0 | 0 | 0 | 110.6 | D155 S159 | D155-D157 PolarHBondContact O-N 3.11Å; D157-S159 PolarHBondContact O-N 3.45Å | ||
| 158 | D | 59.6 | Low | 60.6 | Low | 161 Ų | 161 | 142.7 Ų | 142.7 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -82.9 | 66 | 172.1 | -85 | -33 | 0 | 0 | 0 | 111.2 | D156 | D156-D158 VanDerWaalsContact C-N 3.34Å; D156-D158 PolarHBondContact O-N 3.31Å; D156-D158 VanDerWaalsContact O-N 3.16Å | ||
| 159 | S | 53.8 | Low | 61 | Low | 100 Ų | 100 | 141.4 Ų | 141.4 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -79 | 133.4 | 161.9 | 171.9 | 0 | 0 | 0 | 0 | 109.5 | D157 | D157-S159 PolarHBondContact O-N 3.45Š| ||
| 160 | D | 61.5 | Low | 61.1 | Low | 146 Ų | 146 | 138.7 Ų | 138.7 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | trans | 100.7 | 14.1 | 158.8 | -136.2 | 12.9 | 0 | 0 | 0 | 119.6 | ||||
| 161 | S | 60.9 | Low | 61.3 | Low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | -89.5 | 123.5 | 170.5 | -153.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 162 | D | 62.3 | Low | 61.1 | Low | 102 Ų | 102 | 138.3 Ų | 138.3 | 55% | 0.545 | 75% | 0.748 | S | S | . | * | trans | 107.3 | 21.2 | 154.5 | -57.8 | 1.5 | 0 | 0 | 0 | 119.6 | A164 | D162-A164 VanDerWaalsContact C-N 3.25Š| ||
| 163 | L | 65.5 | Low | 61.1 | Low | 148 Ų | 148 | 138.7 Ų | 138.7 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -74.4 | -16.8 | 162.5 | -62.6 | -170.8 | 0 | 0 | 0 | 113.4 | K165 | L163-K165 VanDerWaalsContact C-N 3.27Å; L163-K165 PolarHBondContact O-N 3.28Å |
| 164 | A | 65.8 | Low | 61.1 | Low | 96 Ų | 96 | 138.5 Ų | 138.5 | 79% | 0.793 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -78.2 | -5.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D162 Y166 | D162-A164 VanDerWaalsContact C-N 3.25Å; A164-Y166 PolarHBondContact O-N 3.13Å |
| 165 | K | 70.3 | Confident | 61.1 | Low | 158 Ų | 158 | 135.8 Ų | 135.8 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -68.3 | -21.1 | 175.8 | -177.7 | 170.1 | -178.5 | 174 | 0 | 112.9 | L163 | L163-K165 VanDerWaalsContact C-N 3.27Å; L163-K165 PolarHBondContact O-N 3.28Å |
| 166 | Y | 70.3 | Confident | 61 | Low | 158 Ų | 158 | 134.9 Ų | 134.9 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -104.3 | 102.1 | 179 | -59.1 | -82.4 | 0 | 0 | 0 | 108.3 | A164 L168 | A164-Y166 PolarHBondContact O-N 3.13Å; Y166-L168 PolarHBondContact O-N 2.77Å |
| 167 | D | 65.7 | Low | 60.9 | Low | 144 Ų | 144 | 135.6 Ų | 135.6 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -64.3 | 84.3 | 163.2 | -94.4 | -32.7 | 0 | 0 | 0 | 108.7 | V169 | D167-V169 PolarHBondContact O-N 3.49Š| ||
| 168 | L | 63.8 | Low | 60.8 | Low | 153 Ų | 153 | 133.7 Ų | 133.7 | 80% | 0.801 | 74% | 0.739 | S | S | * | * | trans | -81.5 | 19.1 | 174.7 | -89.1 | 158.7 | 0 | 0 | 0 | 112.1 | Y166 | Y166-L168 PolarHBondContact O-N 2.77Š| ||
| 169 | V | 63.5 | Low | 60.4 | Low | 119 Ų | 119 | 131.2 Ų | 131.2 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | trans | -130.6 | 55.5 | -172.6 | -64 | 0 | 0 | 0 | 0 | 112.4 | D167 | D167-V169 PolarHBondContact O-N 3.49Š| ||
| 170 | D | 59.8 | Low | 60 | Low | 106 Ų | 106 | 134.6 Ų | 134.6 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | trans | -142.5 | 25.4 | 172.7 | -147.6 | 16.6 | 0 | 0 | 0 | 115.4 | ||||
| 171 | F | 60.2 | Low | 59 | Low | 215 Ų | 215 | 130.8 Ų | 130.8 | 94% | 0.943 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -104.1 | 5.6 | 173 | -68.9 | -73.4 | 0 | 0 | 0 | 114.3 | ||
| 172 | A | 55.9 | Low | 58.4 | Low | 75 Ų | 75 | 134.5 Ų | 134.5 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -103.9 | 123.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||
| 173 | D | 59 | Low | 57.9 | Low | 157 Ų | 157 | 137.1 Ų | 137.1 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | 93.8 | 23.5 | 164.9 | -54.7 | -24.3 | 0 | 0 | 0 | 120.8 | ||||
| 174 | Q | 55.2 | Low | 57.4 | Low | 147 Ų | 147 | 135.5 Ų | 135.5 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | -91.2 | 120.4 | 163.8 | -63.9 | -154.1 | 26.7 | 0 | 0 | 112.8 | V176 | Q174-V176 PolarHBondContact O-N 3Å; Q174-V176 VanDerWaalsContact O-N 3.13Å | ||
| 175 | P | 57.2 | Low | 56.9 | Low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | trans | -68.4 | 111.9 | 176.4 | 28.3 | -32.7 | 0 | 0 | 0 | 109.4 | N177 | P175-N177 PolarHBondContact O-N 3.3Š| ||
| 176 | V | 55 | Low | 55.9 | Low | 127 Ų | 127 | 136.2 Ų | 136.2 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | -61 | 106 | 172.2 | -73 | 0 | 0 | 0 | 0 | 109.6 | Q174 V178 | Q174-V176 PolarHBondContact O-N 3Å; Q174-V176 VanDerWaalsContact O-N 3.13Å; V176-V178 VanDerWaalsContact C-N 3.28Å; V176-V178 HydrophobicContact CB-CG2 4.11Å; V176-V178 HydrophobicContact CG2-CG2 3.97Å; V176-V178 PolarHBondContact O-N 2.88Å | ||
| 177 | N | 54.6 | Low | 55.1 | Low | 161 Ų | 161 | 134.4 Ų | 134.4 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -73.7 | 87.4 | 168.7 | -157.4 | -15.6 | 0 | 0 | 0 | 107 | P175 P179 | P175-N177 PolarHBondContact O-N 3.3Å; N177-P179 VanDerWaalsContact O-CD 3.27Å; N177-P179 WeakPolarHBondContact O-CD 3.37Å | ||
| 178 | V | 56.9 | Low | 54.3 | Low | 108 Ų | 108 | 136 Ų | 136 | 66% | 0.655 | 77% | 0.769 | S | S | * | * | trans | -80.7 | 113.2 | -179.8 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | V176 N180 | V176-V178 VanDerWaalsContact C-N 3.28Å; V176-V178 HydrophobicContact CB-CG2 4.11Å; V176-V178 HydrophobicContact CG2-CG2 3.97Å; V176-V178 PolarHBondContact O-N 2.88Å; V178-N180 PolarHBondContact O-N 2.96Å | ||
| 179 | P | 50.4 | Low | 53.7 | Low | 109 Ų | 109 | 136.7 Ų | 136.7 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | trans | -70.5 | 122.7 | 174.5 | 28.9 | -31 | 0 | 0 | 0 | 109.4 | N177 | N177-P179 VanDerWaalsContact O-CD 3.27Å; N177-P179 WeakPolarHBondContact O-CD 3.37Å | ||
| 180 | N | 46.5 | Very low | 53.1 | Low | 170 Ų | 170 | 138.4 Ų | 138.4 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 28.3 | 97.9 | 154.9 | -72.5 | -26.4 | 0 | 0 | 0 | 116.8 | V178 | V178-N180 PolarHBondContact O-N 2.96Š|
| 181 | G | 40.7 | Very low | 52.8 | Low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | 166.1 | 23.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 182 | H | 48.4 | Very low | 52.5 | Low | 185 Ų | 185 | 139.6 Ų | 139.6 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -158.9 | 112.9 | 161 | -121.6 | 58.3 | 0 | 0 | 0 | 111.1 | ||||
| 183 | Q | 50.3 | Low | 52.6 | Low | 156 Ų | 156 | 144 Ų | 144 | 73% | 0.729 | 80% | 0.796 | S | S | * | * | trans | -60.3 | 127.7 | 171 | -65.5 | -75.6 | -48.2 | 0 | 0 | 108.6 | F185 | Q183-F185 PolarHBondContact O-N 3.2Š| ||
| 184 | P | 57 | Low | 52.3 | Low | 114 Ų | 114 | 145 Ų | 145 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | trans | -71.3 | 112.8 | 167.1 | 29.2 | -29.3 | 0 | 0 | 0 | 106.9 | G186 | P184-G186 PolarHBondContact O-N 2.75Š| ||
| 185 | F | 54.1 | Low | 52.5 | Low | 213 Ų | 213 | 145.8 Ų | 145.8 | 93% | 0.934 | 81% | 0.808 | S | S | * | * | trans | -71.3 | 62.9 | 160.2 | -66.7 | -75.6 | 0 | 0 | 0 | 108.7 | Q183 | Q183-F185 PolarHBondContact O-N 3.2Š| ||
| 186 | G | 50.5 | Low | 52.3 | Low | 56 Ų | 56 | 143.8 Ų | 143.8 | 58% | 0.577 | 81% | 0.81 | S | S | * | * | trans | -93.4 | 131.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108 | P184 | P184-G186 PolarHBondContact O-N 2.75Š| ||
| 187 | S | 52 | Low | 52.5 | Low | 120 Ų | 120 | 145.5 Ų | 145.5 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 68.5 | 70 | 158 | -170.6 | 0 | 0 | 0 | 0 | 117.2 | ||
| 188 | L | 50.1 | Low | 52.6 | Low | 177 Ų | 177 | 143.9 Ų | 143.9 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | trans | -142.3 | 138.8 | 146.4 | -92.5 | 164.8 | 0 | 0 | 0 | 107.6 | ||||
| 189 | L | 50.7 | Low | 52.5 | Low | 169 Ų | 169 | 142.4 Ų | 142.4 | 89% | 0.885 | 82% | 0.823 | S | S | * | * | trans | 92.6 | 51 | 172.3 | -132.9 | 82.2 | 0 | 0 | 0 | 118 | ||||
| 190 | L | 50.6 | Low | 52.7 | Low | 155 Ų | 155 | 145.8 Ų | 145.8 | 81% | 0.812 | 86% | 0.86 | S | S | * | * | S | Bend | trans | -123.5 | 125.3 | 145.9 | -159.2 | 73.5 | 0 | 0 | 0 | 108.6 | ||
| 191 | K | 54.4 | Low | 53 | Low | 188 Ų | 188 | 144.6 Ų | 144.6 | 82% | 0.817 | 86% | 0.857 | S | S | * | * | trans | 90.3 | 66.2 | 171.9 | -53.9 | 165 | 179.6 | -179.2 | 0 | 116.8 | ||||
| 192 | L | 52 | Low | 53.6 | Low | 157 Ų | 157 | 148.7 Ų | 148.7 | 82% | 0.822 | 87% | 0.866 | S | S | * | * | trans | -120.5 | 69.3 | 150.1 | -146.5 | 85.7 | 0 | 0 | 0 | 109.2 | ||||
| 193 | L | 58 | Low | 53.9 | Low | 169 Ų | 169 | 146.7 Ų | 146.7 | 89% | 0.885 | 87% | 0.867 | S | S | * | * | trans | -143.5 | 23.8 | 172.9 | -96.3 | 176.4 | 0 | 0 | 0 | 113.4 | ||||
| 194 | L | 53.5 | Low | 54.1 | Low | 178 Ų | 178 | 146.1 Ų | 146.1 | 93% | 0.932 | 88% | 0.875 | S | S | * | * | trans | -133.2 | 63.7 | 171.5 | -73.6 | 166.2 | 0 | 0 | 0 | 109.4 | ||||
| 195 | L | 59.6 | Low | 54 | Low | 162 Ų | 162 | 148.1 Ų | 148.1 | 85% | 0.848 | 88% | 0.883 | S | S | * | * | trans | -94.5 | 119.8 | 157.8 | -84.5 | 160.6 | 0 | 0 | 0 | 107 | N197 | L195-N197 PolarHBondContact O-N 3.5Š| ||
| 196 | G | 53 | Low | 54 | Low | 80 Ų | 80 | 143.8 Ų | 143.8 | 83% | 0.825 | 88% | 0.88 | S | S | * | * | trans | -50.9 | 125.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 197 | N | 59.3 | Low | 54.2 | Low | 163 Ų | 163 | 150.1 Ų | 150.1 | 87% | 0.872 | 90% | 0.902 | S | S | * | * | trans | -101.9 | 91.4 | 153.3 | -166.7 | 52.5 | 0 | 0 | 0 | 106.7 | L195 | L195-N197 PolarHBondContact O-N 3.5Š| ||
| 198 | S | 56 | Low | 54.4 | Low | 127 Ų | 127 | 152.4 Ų | 152.4 | 89% | 0.888 | 91% | 0.907 | S | S | * | * | trans | -144.3 | 79.6 | 165.5 | -70.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 199 | G | 56.2 | Low | 54.7 | Low | 77 Ų | 77 | 150.3 Ų | 150.3 | 79% | 0.794 | 91% | 0.905 | S | S | * | * | trans | -122.1 | 96.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 200 | A | 53.5 | Low | 55.1 | Low | 179 Ų | 179 | 148.6 Ų | 148.6 | 100% | 1.479 | 91% | 0.907 | S | S | * | * | trans | -162 | 0 | 157.3 | 0 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 200 of 200 residues in 138.8 ms
(Link to these results)