| 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 | Low | 89.8 | Confident | 246 Ų | 246 | 169.3 Ų | 169.3 | 100% | 1.212 | 83% | 0.826 | S | S | * | * | 0 | 134 | 0 | -145.6 | -179.1 | -70 | 0 | 0 | 107.9 | |||||
| 2 | K | 78.9 | Confident | 90.1 | Very high | 198 Ų | 198 | 163.5 Ų | 163.5 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -120.7 | 110.4 | -170.3 | -147 | 176.3 | -170 | 177.7 | 0 | 109.9 | ||||
| 3 | V | 90.6 | Very high | 90 | Very high | 137 Ų | 137 | 159.7 Ų | 159.7 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | trans | -89.1 | 138.4 | 178.8 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | K | 93 | Very high | 89.7 | Confident | 179 Ų | 179 | 160.9 Ų | 160.9 | 78% | 0.778 | 81% | 0.813 | S | S | * | * | trans | -119.6 | 124.8 | 175.9 | -64.8 | -174.5 | -178.8 | -178 | 0 | 109.7 | ||||
| 5 | I | 93.6 | Very high | 89.5 | Confident | 146 Ų | 146 | 155.1 Ų | 155.1 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -74.3 | 126.7 | 170 | -59.5 | -179.8 | 0 | 0 | 0 | 107.7 | ||||
| 6 | R | 95.2 | Very high | 89.2 | Confident | 250 Ų | 250 | 151.8 Ų | 151.8 | 94% | 0.943 | 77% | 0.768 | S | S | * | * | trans | -91.1 | -35.6 | -179.6 | -68.7 | -171.7 | 176.5 | -151.8 | 0.4 | 112.9 | ||||
| 7 | Q | 94.4 | Very high | 88.9 | Confident | 143 Ų | 143 | 150.9 Ų | 150.9 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | trans | -154.5 | 142.1 | -178.1 | -175.5 | 174.3 | -17 | 0 | 0 | 109 | N9 | Q7-N9 PolarHBondContact NE2-OD1 2.84Å; Q7-N9 VanDerWaalsContact NE2-OD1 3.1Å | ||
| 8 | W | 95.9 | Very high | 88.7 | Confident | 225 Ų | 225 | 144.1 Ų | 144.1 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | trans | -130.9 | 122.3 | 173 | -177.2 | 28.2 | 0 | 0 | 0 | 109.2 | ||||
| 9 | N | 95.2 | Very high | 88.3 | Confident | 131 Ų | 131 | 142.5 Ų | 142.5 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | -103.8 | 102.6 | 171.5 | -57.5 | -44.7 | 0 | 0 | 0 | 107.2 | Q7 | Q7-N9 PolarHBondContact NE2-OD1 2.84Å; Q7-N9 VanDerWaalsContact NE2-OD1 3.1Å | ||
| 10 | G | 95.3 | Very high | 88.2 | Confident | 57 Ų | 57 | 140.2 Ų | 140.2 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | trans | -82.7 | 146.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 11 | V | 95.9 | Very high | 88.1 | Confident | 150 Ų | 150 | 141.4 Ų | 141.4 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | trans | -123.6 | 140.7 | 164.6 | 145.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 12 | A | 93.3 | Very high | 89.7 | Confident | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 69% | 0.686 | S | S | * | * | trans | -135.8 | 148.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 13 | S | 89.2 | Confident | 90.4 | Very high | 114 Ų | 114 | 123.5 Ų | 123.5 | 80% | 0.797 | 65% | 0.645 | S | S | * | * | trans | -113.4 | 153.9 | 161.3 | 54.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 14 | W | 86.1 | Confident | 90.4 | Very high | 176 Ų | 176 | 118.1 Ų | 118.1 | 67% | 0.667 | 62% | 0.617 | S | S | * | * | trans | -109.8 | 157.9 | 172.1 | 66.8 | -91.7 | 0 | 0 | 0 | 109.3 | W16 | W14-W16 AromaticContact CH2-CE2 3.81Å; W14-W16 HydrophobicContact CH2-CZ2 4.02Å; W14-W16 AromaticContact CH2-NE1 3.6Å; W14-W16 AromaticContact CZ3-CD1 3.67Å; W14-W16 AromaticContact CZ3-CD2 3.85Å; W14-W16 HydrophobicContact CZ3-CD2 3.85Å; W14-W16 AromaticContact CZ3-CE2 3.49Å; W14-W16 VanDerWaalsContact CZ3-CE2 3.49Å; W14-W16 AromaticContact CZ3-CG 3.99Å; W14-W16 HydrophobicContact CZ3-CG 3.99Å; W14-W16 AromaticContact CZ3-CZ2 3.98Å; W14-W16 HydrophobicContact CZ3-CZ2 3.98Å; W14-W16 AromaticContact CZ3-NE1 3.4Å | ||
| 15 | S | 85.5 | Confident | 90.5 | Very high | 74 Ų | 74 | 112.2 Ų | 112.2 | 52% | 0.517 | 59% | 0.593 | S | S | . | * | trans | -148.2 | 150.2 | 172.4 | -68.7 | 0 | 0 | 0 | 0 | 108.9 | N31 | S15-N31 WeakPolarHBondContact CA-OD1 3.03Å; S15-N31 PolarHBondContact OG-ND2 3.2Å | ||
| 16 | W | 84.8 | Confident | 90.5 | Very high | 102 Ų | 102 | 106.6 Ų | 106.6 | 39% | 0.386 | 57% | 0.567 | S | S | . | * | trans | -66.3 | 137.6 | 175.8 | -66.5 | 107.3 | 0 | 0 | 0 | 111.5 | W14 A18 F30 N31 L46 | W14-W16 AromaticContact CH2-CE2 3.81Å; W14-W16 HydrophobicContact CH2-CZ2 4.02Å; W14-W16 AromaticContact CH2-NE1 3.6Å; W14-W16 AromaticContact CZ3-CD1 3.67Å; W14-W16 AromaticContact CZ3-CD2 3.85Å; W14-W16 HydrophobicContact CZ3-CD2 3.85Å; W14-W16 AromaticContact CZ3-CE2 3.49Å; W14-W16 VanDerWaalsContact CZ3-CE2 3.49Å; W14-W16 AromaticContact CZ3-CG 3.99Å; W14-W16 HydrophobicContact CZ3-CG 3.99Å; W14-W16 AromaticContact CZ3-CZ2 3.98Å; W14-W16 HydrophobicContact CZ3-CZ2 3.98Å; W14-W16 AromaticContact CZ3-NE1 3.4Å; W16-A18 PolarHBondContact O-N 2.98Å; W16-F30 HydrophobicContact CB-CB 4.26Å; W16-F30 VanDerWaalsContact CD1-C 3.41Å; W16-F30 HydrophobicContact CG-CB 4.29Å; W16-F30 PolarHBondContact NE1-O 2.82Å; W16-N31 PolarHBondContact N-OD1 3.41Å; W16-L46 HydrophobicContact CB-CD1 3.55Å; W16-L46 HydrophobicContact CD2-CD1 3.39Å; W16-L46 HydrophobicContact CD2-CG 3.84Å; W16-L46 HydrophobicContact CE3-CD1 3.85Å; W16-L46 HydrophobicContact CE3-CG 4.24Å; W16-L46 HydrophobicContact CG-CD1 3.27Å; W16-L46 HydrophobicContact CG-CG 4.12Å; W16-L46 HydrophobicContact CZ2-CG 4.32Å | ||
| 17 | V | 84.6 | Confident | 90.5 | Very high | 137 Ų | 137 | 103.6 Ų | 103.6 | 83% | 0.83 | 56% | 0.556 | S | S | * | * | trans | -89.4 | 94.4 | 170.8 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 18 | A | 84.4 | Confident | 90.4 | Very high | 28 Ų | 28 | 100.8 Ų | 100.8 | 23% | 0.231 | 54% | 0.543 | C | S | . | . | trans | -130.4 | 164.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | W16 D20 F30 C54 | W16-A18 PolarHBondContact O-N 2.98Å; A18-D20 WeakPolarHBondContact CB-O 3.43Å; A18-D20 PolarHBondContact O-N 2.98Å; A18-F30 HydrophobicContact CB-CD2 3.86Å; A18-F30 HydrophobicContact CB-CE2 3.78Å; A18-C54 HydrophobicContact CB-CB 4.18Å | ||
| 19 | N | 81.6 | Confident | 90.2 | Very high | 114 Ų | 114 | 92.9 Ų | 92.9 | 61% | 0.61 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -65 | -30.4 | 178.3 | -72 | -4.9 | 0 | 0 | 0 | 112.5 | S52 | N19-S52 PolarHBondContact ND2-O 3.08Š|
| 20 | D | 85.6 | Confident | 89.9 | Confident | 97 Ų | 97 | 87 Ų | 87 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -125 | 165.3 | 177.9 | -71.9 | -48.9 | 0 | 0 | 0 | 110 | A18 F30 | A18-D20 WeakPolarHBondContact CB-O 3.43Å; A18-D20 PolarHBondContact O-N 2.98Å; D20-F30 HydrophobicContact CB-CE2 4.44Å; D20-F30 WeakPolarHBondContact O-CD2 3.32Å; D20-F30 WeakPolarHBondContact O-CE2 3.28Å |
| 21 | E | 86.9 | Confident | 89.4 | Confident | 165 Ų | 165 | 88.3 Ų | 88.3 | 77% | 0.771 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -87.8 | -18.2 | 175.7 | -62.6 | -172.9 | 166.9 | 0 | 0 | 113.1 | P29 F30 | E21-P29 WeakPolarHBondContact O-CA 3.34Å; E21-F30 WeakPolarHBondContact O-CD2 3.46Å; E21-F30 PolarHBondContact O-N 3.28Å |
| 22 | N | 92.8 | Very high | 89 | Confident | 68 Ų | 68 | 82.7 Ų | 82.7 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | B | Isolated β-bridge | trans | -125.5 | 147.7 | -173.2 | -63.7 | 72.6 | 0 | 0 | 0 | 111.7 | G24 R27 M28 F30 | N22-G24 PolarHBondContact O-N 3.46Å; N22-R27 PolarHBondContact ND2-O 2.83Å; N22-M28 WeakPolarHBondContact CA-O 3.31Å; N22-F30 WeakPolarHBondContact O-CZ 3.43Å |
| 23 | C | 93.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 42% | 0.423 | C | S | . | . | trans | -67.9 | 123.2 | 171.3 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | I25 R27 M28 F30 H56 | C23-I25 PolarHBondContact O-N 2.86Å; C23-I25 VanDerWaalsContact O-N 3.1Å; C23-R27 WeakPolarHBondContact O-CA 3.45Å; C23-R27 PolarHBondContact O-N 3.11Å; C23-M28 PolarHBondContact N-O 2.89Å; C23-F30 VanDerWaalsContact CA-CE1 3.47Å; C23-F30 HydrophobicContact CB-CD1 4.21Å; C23-F30 HydrophobicContact CB-CE1 3.66Å; C23-F30 HydrophobicContact CB-CZ 4.37Å; C23-H56 VanDerWaalsContact CB-ND1 3.34Å; C23-H56 WeakPolarHBondContact CB-ND1 3.31Å | ||
| 24 | G | 92.6 | Very high | 88.6 | Confident | 25 Ų | 25 | 73.7 Ų | 73.7 | 26% | 0.258 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N22 R27 | N22-G24 PolarHBondContact O-N 3.46Å; G24-R27 PolarHBondContact O-NE 3.28Å |
| 25 | I | 94.6 | Very high | 88.7 | Confident | 54 Ų | 54 | 69.7 Ų | 69.7 | 28% | 0.277 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -60.3 | 179.3 | -59.3 | 168.3 | 0 | 0 | 0 | 110.8 | C23 F55 C59 I60 W63 P74 | C23-I25 PolarHBondContact O-N 2.86Å; C23-I25 VanDerWaalsContact O-N 3.1Å; I25-F55 HydrophobicContact CD1-CB 4.27Å; I25-F55 HydrophobicContact CD1-CD1 3.74Å; I25-F55 HydrophobicContact CD1-CE1 4.23Å; I25-F55 HydrophobicContact CD1-CG 3.93Å; I25-F55 HydrophobicContact CG1-CD1 3.69Å; I25-F55 HydrophobicContact CG1-CE1 3.89Å; I25-F55 HydrophobicContact CG1-CG 4.4Å; I25-C59 HydrophobicContact CB-CB 3.91Å; I25-C59 HydrophobicContact CD1-CB 3.87Å; I25-C59 HydrophobicContact CG1-CB 4.49Å; I25-C59 HydrophobicContact CG2-CB 3.93Å; I25-I60 HydrophobicContact CD1-CB 4.33Å; I25-I60 HydrophobicContact CD1-CD1 4.19Å; I25-W63 HydrophobicContact CD1-CB 4.19Å; I25-P74 HydrophobicContact CD1-CG 3.89Å; I25-P74 HydrophobicContact CG1-CB 4.43Å; I25-P74 HydrophobicContact CG1-CG 3.9Å |
| 26 | C | 94 | Very high | 88.7 | Confident | 28 Ų | 28 | 71.1 Ų | 71.1 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -5.2 | -174.8 | 71.8 | 0 | 0 | 0 | 0 | 114.5 | M28 P35 H56 C59 | C26-M28 PolarHBondContact O-N 3.36Å; C26-P35 HydrophobicContact CB-CG 4.01Å; C26-H56 PolarHBondContact SG-ND1 2.94Å; C26-C59 VanDerWaalsContact CB-SG 3.59Å |
| 27 | R | 93.4 | Very high | 88.8 | Confident | 188 Ų | 188 | 67.2 Ų | 67.2 | 71% | 0.709 | 37% | 0.373 | S | S | * | . | trans | 61.2 | 2.6 | -179.8 | -52.2 | -59.1 | -177.9 | 126.7 | -0.7 | 115.8 | N22 C23 G24 | N22-R27 PolarHBondContact ND2-O 2.83Å; C23-R27 WeakPolarHBondContact O-CA 3.45Å; C23-R27 PolarHBondContact O-N 3.11Å; G24-R27 PolarHBondContact O-NE 3.28Å | ||
| 28 | M | 92.3 | Very high | 88.3 | Confident | 83 Ų | 83 | 70.6 Ų | 70.6 | 41% | 0.409 | 38% | 0.376 | S | S | . | . | trans | -74.4 | 147.9 | 173.7 | -61.9 | -57 | -67.9 | 0 | 0 | 111.4 | N22 C23 C26 P35 | N22-M28 WeakPolarHBondContact CA-O 3.31Å; C23-M28 PolarHBondContact N-O 2.89Å; C26-M28 PolarHBondContact O-N 3.36Å; M28-P35 HydrophobicContact CG-CG 4.3Å | ||
| 29 | P | 91.4 | Very high | 87.6 | Confident | 60 Ų | 60 | 74 Ų | 74 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -59.8 | 146.4 | 172.9 | -20.5 | 32.1 | 0 | 0 | 0 | 111.5 | E21 N31 G32 | E21-P29 WeakPolarHBondContact O-CA 3.34Å; P29-N31 VanDerWaalsContact C-N 3.27Å; P29-N31 PolarHBondContact O-N 3.15Å; P29-G32 PolarHBondContact O-N 2.91Å |
| 30 | F | 89.6 | Confident | 86.8 | Confident | 7 Ų | 7 | 73 Ų | 73 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27.8 | 178.2 | -74.1 | -45.8 | 0 | 0 | 0 | 113.9 | W16 A18 D20 E21 N22 C23 G32 L46 C54 H56 | W16-F30 HydrophobicContact CB-CB 4.26Å; W16-F30 VanDerWaalsContact CD1-C 3.41Å; W16-F30 HydrophobicContact CG-CB 4.29Å; W16-F30 PolarHBondContact NE1-O 2.82Å; A18-F30 HydrophobicContact CB-CD2 3.86Å; A18-F30 HydrophobicContact CB-CE2 3.78Å; D20-F30 HydrophobicContact CB-CE2 4.44Å; D20-F30 WeakPolarHBondContact O-CD2 3.32Å; D20-F30 WeakPolarHBondContact O-CE2 3.28Å; E21-F30 WeakPolarHBondContact O-CD2 3.46Å; E21-F30 PolarHBondContact O-N 3.28Å; N22-F30 WeakPolarHBondContact O-CZ 3.43Å; C23-F30 VanDerWaalsContact CA-CE1 3.47Å; C23-F30 HydrophobicContact CB-CD1 4.21Å; C23-F30 HydrophobicContact CB-CE1 3.66Å; C23-F30 HydrophobicContact CB-CZ 4.37Å; F30-G32 PolarHBondContact O-N 2.85Å; F30-L46 HydrophobicContact CB-CD1 3.89Å; F30-L46 HydrophobicContact CB-CD2 4.23Å; F30-L46 HydrophobicContact CD1-CD1 3.96Å; F30-L46 HydrophobicContact CD1-CD2 3.35Å; F30-L46 HydrophobicContact CD1-CG 4.31Å; F30-L46 HydrophobicContact CD2-CD1 4.48Å; F30-L46 HydrophobicContact CE1-CD2 3.98Å; F30-L46 HydrophobicContact CG-CD1 3.88Å; F30-L46 HydrophobicContact CG-CD2 4.06Å; F30-C54 HydrophobicContact CE2-CB 4.43Å; F30-C54 HydrophobicContact CZ-CB 4.02Å; F30-C54 WeakPolarHBondContact CZ-O 3.48Å; F30-H56 AromaticContact CD1-NE2 3.86Å |
| 31 | N | 86.1 | Confident | 85.8 | Confident | 85 Ų | 85 | 70.9 Ų | 70.9 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -3.4 | 174.8 | -65.9 | -19.6 | 0 | 0 | 0 | 112.8 | S15 W16 P29 | S15-N31 WeakPolarHBondContact CA-OD1 3.03Å; S15-N31 PolarHBondContact OG-ND2 3.2Å; W16-N31 PolarHBondContact N-OD1 3.41Å; P29-N31 VanDerWaalsContact C-N 3.27Å; P29-N31 PolarHBondContact O-N 3.15Å |
| 32 | G | 85.6 | Confident | 84.9 | Confident | 31 Ų | 31 | 70.9 Ų | 70.9 | 32% | 0.32 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -111.4 | -170 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P29 F30 | P29-G32 PolarHBondContact O-N 2.91Å; F30-G32 PolarHBondContact O-N 2.85Å |
| 33 | C | 85.8 | Confident | 83.9 | Confident | 24 Ų | 24 | 73.4 Ų | 73.4 | 16% | 0.162 | 41% | 0.413 | C | S | . | . | trans | -90 | 151.4 | 173.4 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | C37 V39 P40 | C33-C37 HydrophobicContact CB-CB 3.94Å; C33-C37 WeakPolarHBondContact CB-O 3.41Å; C33-V39 PolarHBondContact SG-O 3.04Å; C33-V39 VanDerWaalsContact SG-O 3.37Å; C33-P40 WeakPolarHBondContact SG-CA 3.2Å | ||
| 34 | C | 89.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.007 | 42% | 0.418 | C | S | . | . | trans | -67.7 | 160.5 | 158.3 | 74.7 | 0 | 0 | 0 | 0 | 110.9 | D36 C37 C44 H56 | C34-D36 PolarHBondContact O-N 3.15Å; C34-D36 VanDerWaalsContact O-N 3.07Å; C34-C37 PolarHBondContact O-N 3.01Å; C34-C37 PolarHBondContact SG-SG 2.75Å; C34-C44 PolarHBondContact SG-SG 3.4Å; C34-H56 HydrophobicContact CB-CB 4.13Å | ||
| 35 | P | 88.6 | Confident | 83.2 | Confident | 93 Ų | 93 | 75.5 Ų | 75.5 | 60% | 0.604 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -25.9 | -177.5 | -26.6 | 35.4 | 0 | 0 | 0 | 115.4 | C26 M28 C37 | C26-P35 HydrophobicContact CB-CG 4.01Å; M28-P35 HydrophobicContact CG-CG 4.3Å; P35-C37 VanDerWaalsContact C-N 3.3Å |
| 36 | D | 85.3 | Confident | 82.9 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 55% | 0.551 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -6.9 | 180 | -65.1 | -26.3 | 0 | 0 | 0 | 112.2 | C34 K62 | C34-D36 PolarHBondContact O-N 3.15Å; C34-D36 VanDerWaalsContact O-N 3.07Å; D36-K62 IonicContact OD1-NZ 3.69Å; D36-K62 IonicContact OD2-NZ 2.94Å; D36-K62 PolarHBondContact OD2-NZ 3.3Å |
| 37 | C | 86.5 | Confident | 82.9 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 14% | 0.142 | 41% | 0.407 | C | S | . | . | trans | -111.3 | 133 | 179.6 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | C33 C34 P35 C44 H58 | C33-C37 HydrophobicContact CB-CB 3.94Å; C33-C37 WeakPolarHBondContact CB-O 3.41Å; C34-C37 PolarHBondContact O-N 3.01Å; C34-C37 PolarHBondContact SG-SG 2.75Å; P35-C37 VanDerWaalsContact C-N 3.3Å; C37-C44 HydrophobicContact CB-CB 4.44Å; C37-H58 VanDerWaalsContact SG-CE1 3.52Å; C37-H58 PolarHBondContact SG-ND1 3.37Å | ||
| 38 | K | 74.4 | Confident | 83 | Confident | 208 Ų | 208 | 67.9 Ų | 67.9 | 90% | 0.904 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -88.8 | -30.7 | -179.6 | -92.1 | -175.5 | 174.8 | -179.4 | 0 | 114.5 | ||
| 39 | V | 69.7 | Low | 83.1 | Confident | 100 Ų | 100 | 64 Ų | 64 | 61% | 0.606 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -127.1 | 129.3 | -171.8 | -172 | 0 | 0 | 0 | 0 | 109 | C33 | C33-V39 PolarHBondContact SG-O 3.04Å; C33-V39 VanDerWaalsContact SG-O 3.37Å |
| 40 | P | 63.8 | Low | 83.3 | Confident | 93 Ų | 93 | 67.6 Ų | 67.6 | 60% | 0.604 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -68 | 133 | 175.6 | 25.7 | -31.4 | 0 | 0 | 0 | 109.5 | C33 | C33-P40 WeakPolarHBondContact SG-CA 3.2Š|
| 41 | G | 64.8 | Low | 83.5 | Confident | 52 Ų | 52 | 68.3 Ų | 68.3 | 54% | 0.536 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 161 | -161.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D43 C44 | G41-D43 PolarHBondContact O-N 3.23Å; G41-C44 PolarHBondContact O-N 2.92Å |
| 42 | D | 68.5 | Low | 83.8 | Confident | 165 Ų | 165 | 67.1 Ų | 67.1 | 88% | 0.882 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -13.8 | -172.1 | -65.4 | -26.3 | 0 | 0 | 0 | 114.6 | C44 | D42-C44 VanDerWaalsContact C-N 3.27Å; D42-C44 PolarHBondContact O-N 3.39Å |
| 43 | D | 72.2 | Confident | 84.3 | Confident | 120 Ų | 120 | 67.8 Ų | 67.8 | 64% | 0.642 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -15.7 | -177.6 | -67.5 | -28.3 | 0 | 0 | 0 | 113.4 | G41 H58 | G41-D43 PolarHBondContact O-N 3.23Å; D43-H58 PolarHBondContact O-CE1 3.07Å |
| 44 | C | 81.8 | Confident | 84.7 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 11% | 0.108 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -136.8 | 68.1 | -179.4 | -159.5 | 0 | 0 | 0 | 0 | 112.5 | C34 C37 G41 D42 | C34-C44 PolarHBondContact SG-SG 3.4Å; C37-C44 HydrophobicContact CB-CB 4.44Å; G41-C44 PolarHBondContact O-N 2.92Å; D42-C44 VanDerWaalsContact C-N 3.27Å; D42-C44 PolarHBondContact O-N 3.39Å |
| 45 | P | 88.1 | Confident | 84.9 | Confident | 53 Ų | 53 | 67.3 Ų | 67.3 | 34% | 0.344 | 38% | 0.376 | S | S | . | . | trans | -67.1 | 156.6 | 179.1 | 29.4 | -34 | 0 | 0 | 0 | 110.9 | M57 | P45-M57 HydrophobicContact CG-CB 4.03Å; P45-M57 WeakPolarHBondContact O-CB 3.28Å; P45-M57 PolarHBondContact O-N 3.34Å | ||
| 46 | L | 90.4 | Very high | 85.1 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 143.8 | 166.9 | -59 | -168.3 | 0 | 0 | 0 | 110.2 | W16 F30 W48 H56 | W16-L46 HydrophobicContact CB-CD1 3.55Å; W16-L46 HydrophobicContact CD2-CD1 3.39Å; W16-L46 HydrophobicContact CD2-CG 3.84Å; W16-L46 HydrophobicContact CE3-CD1 3.85Å; W16-L46 HydrophobicContact CE3-CG 4.24Å; W16-L46 HydrophobicContact CG-CD1 3.27Å; W16-L46 HydrophobicContact CG-CG 4.12Å; W16-L46 HydrophobicContact CZ2-CG 4.32Å; F30-L46 HydrophobicContact CB-CD1 3.89Å; F30-L46 HydrophobicContact CB-CD2 4.23Å; F30-L46 HydrophobicContact CD1-CD1 3.96Å; F30-L46 HydrophobicContact CD1-CD2 3.35Å; F30-L46 HydrophobicContact CD1-CG 4.31Å; F30-L46 HydrophobicContact CD2-CD1 4.48Å; F30-L46 HydrophobicContact CE1-CD2 3.98Å; F30-L46 HydrophobicContact CG-CD1 3.88Å; F30-L46 HydrophobicContact CG-CD2 4.06Å; L46-W48 HydrophobicContact CB-CH2 3.69Å; L46-W48 HydrophobicContact CB-CZ2 4.12Å; L46-W48 HydrophobicContact CB-CZ3 4.05Å; L46-W48 HydrophobicContact CD1-CZ2 4.43Å; L46-W48 VanDerWaalsContact O-CZ3 3.24Å; L46-W48 WeakPolarHBondContact O-CZ3 3.4Å; L46-H56 VanDerWaalsContact CD2-CD2 3.48Å; L46-H56 WeakPolarHBondContact CD2-CD2 3.5Å |
| 47 | V | 92.8 | Very high | 85.5 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 143 | 175.4 | -68 | 0 | 0 | 0 | 0 | 110.3 | C54 F55 M57 I60 F82 | V47-C54 WeakPolarHBondContact O-CA 3.39Å; V47-F55 PolarHBondContact N-O 3.25Å; V47-F55 PolarHBondContact O-N 3.41Å; V47-M57 HydrophobicContact CG1-CB 4.25Å; V47-M57 HydrophobicContact CG1-CE 3.51Å; V47-M57 HydrophobicContact CG1-SD 3.69Å; V47-M57 HydrophobicContact CG2-SD 4.35Å; V47-I60 HydrophobicContact CG2-CG2 3.46Å; V47-I60 VanDerWaalsContact CG2-CG2 3.46Å; V47-F82 HydrophobicContact CB-CD1 4.24Å; V47-F82 HydrophobicContact CB-CE1 4.25Å; V47-F82 HydrophobicContact CG1-CE1 4.45Å; V47-F82 HydrophobicContact CG2-CE1 4.14Å |
| 48 | W | 94.8 | Very high | 85.8 | Confident | 85 Ų | 85 | 63 Ų | 63 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 138.5 | -179.7 | -65.5 | -98.6 | 0 | 0 | 0 | 109.9 | L46 H53 K83 | L46-W48 HydrophobicContact CB-CH2 3.69Å; L46-W48 HydrophobicContact CB-CZ2 4.12Å; L46-W48 HydrophobicContact CB-CZ3 4.05Å; L46-W48 HydrophobicContact CD1-CZ2 4.43Å; L46-W48 VanDerWaalsContact O-CZ3 3.24Å; L46-W48 WeakPolarHBondContact O-CZ3 3.4Å; W48-H53 WeakPolarHBondContact CA-O 3.48Å; W48-K83 HydrophobicContact CB-CB 4.09Å; W48-K83 HydrophobicContact CB-CD 4.27Å; W48-K83 WeakPolarHBondContact O-CB 3.41Å; W48-K83 PolarHBondContact O-N 3.37Å |
| 49 | G | 95.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -80.8 | 158.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | C51 S52 H53 W80 K81 | G49-C51 PolarHBondContact O-N 3.41Å; G49-C51 VanDerWaalsContact O-N 3.11Å; G49-S52 WeakPolarHBondContact O-CA 3.42Å; G49-S52 PolarHBondContact O-N 3.47Å; G49-H53 PolarHBondContact N-O 3.16Å; G49-W80 VanDerWaalsContact CA-CH2 3.42Å; G49-K81 CarbonylContact C-O 3.52Å; G49-K81 VanDerWaalsContact CA-O 3.31Å; G49-K81 WeakPolarHBondContact CA-O 3.34Å |
| 50 | Q | 95.2 | Very high | 87.9 | Confident | 136 Ų | 136 | 48.8 Ų | 48.8 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.3 | 166.3 | -70.1 | -176 | -6.1 | 0 | 0 | 112.2 | S52 K81 | Q50-S52 PolarHBondContact O-N 2.84Å; Q50-K81 HydrophobicContact CB-CB 4.49Å; Q50-K81 HydrophobicContact CG-CB 3.9Å; Q50-K81 PolarHBondContact N-O 2.94Å |
| 51 | C | 94.5 | Very high | 89.3 | Confident | 23 Ų | 23 | 47.4 Ų | 47.4 | 16% | 0.155 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 7.8 | 172.1 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | G49 H53 C73 | G49-C51 PolarHBondContact O-N 3.41Å; G49-C51 VanDerWaalsContact O-N 3.11Å; C51-H53 PolarHBondContact O-N 3.17Å; C51-H53 VanDerWaalsContact O-N 3.15Å; C51-H53 PolarHBondContact SG-ND1 2.65Å; C51-H53 VanDerWaalsContact SG-ND1 3.36Å; C51-C73 VanDerWaalsContact SG-SG 3.66Å |
| 52 | S | 93.1 | Very high | 90.7 | Very high | 60 Ų | 60 | 51 Ų | 51 | 42% | 0.42 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 65.8 | 0.2 | -177.9 | 75.1 | 0 | 0 | 0 | 0 | 117 | N19 G49 Q50 | N19-S52 PolarHBondContact ND2-O 3.08Å; G49-S52 WeakPolarHBondContact O-CA 3.42Å; G49-S52 PolarHBondContact O-N 3.47Å; Q50-S52 PolarHBondContact O-N 2.84Å |
| 53 | H | 94.3 | Very high | 91.9 | Very high | 44 Ų | 44 | 47.6 Ų | 47.6 | 20% | 0.204 | 24% | 0.237 | C | C | . | . | trans | -72.8 | 139.4 | 172.6 | -66 | 103.4 | 0 | 0 | 0 | 111.5 | W48 G49 C51 F55 M75 | W48-H53 WeakPolarHBondContact CA-O 3.48Å; G49-H53 PolarHBondContact N-O 3.16Å; C51-H53 PolarHBondContact O-N 3.17Å; C51-H53 VanDerWaalsContact O-N 3.15Å; C51-H53 PolarHBondContact SG-ND1 2.65Å; C51-H53 VanDerWaalsContact SG-ND1 3.36Å; H53-F55 HydrophobicContact CB-CE2 3.77Å; H53-F55 HydrophobicContact CB-CZ 4.04Å; H53-M75 WeakPolarHBondContact NE2-CB 3.24Å | ||
| 54 | C | 94.4 | Very high | 93 | Very high | 12 Ų | 12 | 42 Ų | 42 | 8% | 0.081 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 137.4 | -177.8 | -179 | 0 | 0 | 0 | 0 | 110.6 | A18 F30 V47 | A18-C54 HydrophobicContact CB-CB 4.18Å; F30-C54 HydrophobicContact CE2-CB 4.43Å; F30-C54 HydrophobicContact CZ-CB 4.02Å; F30-C54 WeakPolarHBondContact CZ-O 3.48Å; V47-C54 WeakPolarHBondContact O-CA 3.39Å |
| 55 | F | 94.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 162.7 | 174.7 | -57 | -75.1 | 0 | 0 | 0 | 110.5 | I25 V47 H53 I60 P74 M75 W80 | I25-F55 HydrophobicContact CD1-CB 4.27Å; I25-F55 HydrophobicContact CD1-CD1 3.74Å; I25-F55 HydrophobicContact CD1-CE1 4.23Å; I25-F55 HydrophobicContact CD1-CG 3.93Å; I25-F55 HydrophobicContact CG1-CD1 3.69Å; I25-F55 HydrophobicContact CG1-CE1 3.89Å; I25-F55 HydrophobicContact CG1-CG 4.4Å; V47-F55 PolarHBondContact N-O 3.25Å; V47-F55 PolarHBondContact O-N 3.41Å; H53-F55 HydrophobicContact CB-CE2 3.77Å; H53-F55 HydrophobicContact CB-CZ 4.04Å; F55-I60 HydrophobicContact CB-CB 4.11Å; F55-I60 HydrophobicContact CD2-CB 4.47Å; F55-I60 HydrophobicContact CD2-CD1 4.03Å; F55-I60 HydrophobicContact CD2-CG1 4.41Å; F55-I60 HydrophobicContact CE2-CD1 4.36Å; F55-P74 HydrophobicContact CE1-CG 4.31Å; F55-P74 HydrophobicContact CE2-CG 4.26Å; F55-P74 HydrophobicContact CZ-CB 4.31Å; F55-P74 HydrophobicContact CZ-CG 3.91Å; F55-M75 HydrophobicContact CE1-CG 4.19Å; F55-M75 HydrophobicContact CZ-CG 3.71Å; F55-W80 AromaticContact CD2-CH2 3.6Å; F55-W80 HydrophobicContact CD2-CH2 3.6Å; F55-W80 HydrophobicContact CD2-CZ2 4.47Å; F55-W80 AromaticContact CD2-CZ3 3.9Å; F55-W80 HydrophobicContact CD2-CZ3 3.9Å; F55-W80 AromaticContact CE2-CH2 3.87Å; F55-W80 HydrophobicContact CE2-CH2 3.87Å; F55-W80 AromaticContact CE2-CZ3 3.66Å; F55-W80 HydrophobicContact CE2-CZ3 3.66Å |
| 56 | H | 93.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 137.7 | 161.8 | -64.9 | 125.5 | 0 | 0 | 0 | 110.1 | C23 C26 F30 C34 L46 H58 C59 I60 | C23-H56 VanDerWaalsContact CB-ND1 3.34Å; C23-H56 WeakPolarHBondContact CB-ND1 3.31Å; C26-H56 PolarHBondContact SG-ND1 2.94Å; F30-H56 AromaticContact CD1-NE2 3.86Å; C34-H56 HydrophobicContact CB-CB 4.13Å; L46-H56 VanDerWaalsContact CD2-CD2 3.48Å; L46-H56 WeakPolarHBondContact CD2-CD2 3.5Å; H56-H58 PolarHBondContact O-N 3.42Å; H56-C59 HydrophobicContact CB-CB 4.1Å; H56-C59 WeakPolarHBondContact O-CB 3.38Å; H56-C59 PolarHBondContact O-N 2.94Å; H56-I60 PolarHBondContact O-N 2.94Å; H56-I60 VanDerWaalsContact O-N 3.07Å |
| 57 | M | 92.7 | Very high | 93.5 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 28% | 0.276 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -49.9 | -51.3 | 178.9 | 179.5 | 65.6 | 100.1 | 0 | 0 | 112.5 | P45 V47 C59 I60 L61 F82 | P45-M57 HydrophobicContact CG-CB 4.03Å; P45-M57 WeakPolarHBondContact O-CB 3.28Å; P45-M57 PolarHBondContact O-N 3.34Å; V47-M57 HydrophobicContact CG1-CB 4.25Å; V47-M57 HydrophobicContact CG1-CE 3.51Å; V47-M57 HydrophobicContact CG1-SD 3.69Å; V47-M57 HydrophobicContact CG2-SD 4.35Å; M57-C59 VanDerWaalsContact C-N 3.3Å; M57-C59 PolarHBondContact O-N 3.33Å; M57-I60 VanDerWaalsContact O-CG2 3.28Å; M57-I60 WeakPolarHBondContact O-CG2 3.45Å; M57-I60 PolarHBondContact O-N 3.28Å; M57-L61 HydrophobicContact CG-CD1 3.77Å; M57-L61 HydrophobicContact CG-CG 4.35Å; M57-L61 WeakPolarHBondContact O-CB 3.44Å; M57-L61 VanDerWaalsContact O-CG 3.31Å; M57-L61 WeakPolarHBondContact O-CG 3.19Å; M57-L61 PolarHBondContact O-N 3.36Å; M57-L61 HydrophobicContact SD-CD1 3.75Å; M57-L61 HydrophobicContact SD-CD2 4.46Å; M57-L61 HydrophobicContact SD-CG 3.94Å; M57-F82 HydrophobicContact SD-CE1 4.29Å |
| 58 | H | 93.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 59 Ų | 59 | 33% | 0.333 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 179.8 | -69 | 133.2 | 0 | 0 | 0 | 113.4 | C37 D43 H56 K62 | C37-H58 VanDerWaalsContact SG-CE1 3.52Å; C37-H58 PolarHBondContact SG-ND1 3.37Å; D43-H58 PolarHBondContact O-CE1 3.07Å; H56-H58 PolarHBondContact O-N 3.42Å; H58-K62 WeakPolarHBondContact O-CB 3.33Å; H58-K62 PolarHBondContact O-N 3.35Å |
| 59 | C | 94.4 | Very high | 91.9 | Very high | 8 Ų | 8 | 61.9 Ų | 61.9 | 5% | 0.054 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 179.7 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | I25 C26 H56 M57 W63 | I25-C59 HydrophobicContact CB-CB 3.91Å; I25-C59 HydrophobicContact CD1-CB 3.87Å; I25-C59 HydrophobicContact CG1-CB 4.49Å; I25-C59 HydrophobicContact CG2-CB 3.93Å; C26-C59 VanDerWaalsContact CB-SG 3.59Å; H56-C59 HydrophobicContact CB-CB 4.1Å; H56-C59 WeakPolarHBondContact O-CB 3.38Å; H56-C59 PolarHBondContact O-N 2.94Å; M57-C59 VanDerWaalsContact C-N 3.3Å; M57-C59 PolarHBondContact O-N 3.33Å; C59-W63 WeakPolarHBondContact O-CB 3.38Å; C59-W63 PolarHBondContact O-N 3.05Å |
| 60 | I | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.4 | -40.5 | -179.8 | -169 | 62.2 | 0 | 0 | 0 | 111.5 | I25 V47 F55 H56 M57 K62 W63 L64 P74 W80 F82 | I25-I60 HydrophobicContact CD1-CB 4.33Å; I25-I60 HydrophobicContact CD1-CD1 4.19Å; V47-I60 HydrophobicContact CG2-CG2 3.46Å; V47-I60 VanDerWaalsContact CG2-CG2 3.46Å; F55-I60 HydrophobicContact CB-CB 4.11Å; F55-I60 HydrophobicContact CD2-CB 4.47Å; F55-I60 HydrophobicContact CD2-CD1 4.03Å; F55-I60 HydrophobicContact CD2-CG1 4.41Å; F55-I60 HydrophobicContact CE2-CD1 4.36Å; H56-I60 PolarHBondContact O-N 2.94Å; H56-I60 VanDerWaalsContact O-N 3.07Å; M57-I60 VanDerWaalsContact O-CG2 3.28Å; M57-I60 WeakPolarHBondContact O-CG2 3.45Å; M57-I60 PolarHBondContact O-N 3.28Å; I60-K62 VanDerWaalsContact C-N 3.35Å; I60-K62 PolarHBondContact O-N 3.07Å; I60-W63 WeakPolarHBondContact O-CB 3.49Å; I60-W63 PolarHBondContact O-N 3.04Å; I60-W63 VanDerWaalsContact O-N 3.16Å; I60-L64 HydrophobicContact CD1-CD2 4.44Å; I60-L64 HydrophobicContact CD1-CG 4.25Å; I60-L64 HydrophobicContact CG1-CD1 3.95Å; I60-L64 HydrophobicContact CG1-CG 4.1Å; I60-L64 WeakPolarHBondContact O-CB 3.19Å; I60-L64 WeakPolarHBondContact O-CG 3.41Å; I60-L64 PolarHBondContact O-N 2.92Å; I60-P74 HydrophobicContact CD1-CG 4.18Å; I60-W80 HydrophobicContact CD1-CD2 4.04Å; I60-W80 HydrophobicContact CD1-CE3 4.19Å; I60-W80 HydrophobicContact CD1-CH2 4.39Å; I60-W80 HydrophobicContact CD1-CZ2 4.26Å; I60-W80 HydrophobicContact CD1-CZ3 4.37Å; I60-W80 HydrophobicContact CG1-CD2 4.07Å; I60-W80 HydrophobicContact CG1-CH2 4.25Å; I60-W80 HydrophobicContact CG1-CZ2 3.71Å; I60-F82 HydrophobicContact CG2-CE1 4.32Å |
| 61 | L | 92.9 | Very high | 91.2 | Very high | 65 Ų | 65 | 64.7 Ų | 64.7 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 176.8 | -71.4 | 176.4 | 0 | 0 | 0 | 111.9 | M57 W63 L64 N65 F82 | M57-L61 HydrophobicContact CG-CD1 3.77Å; M57-L61 HydrophobicContact CG-CG 4.35Å; M57-L61 WeakPolarHBondContact O-CB 3.44Å; M57-L61 VanDerWaalsContact O-CG 3.31Å; M57-L61 WeakPolarHBondContact O-CG 3.19Å; M57-L61 PolarHBondContact O-N 3.36Å; M57-L61 HydrophobicContact SD-CD1 3.75Å; M57-L61 HydrophobicContact SD-CD2 4.46Å; M57-L61 HydrophobicContact SD-CG 3.94Å; L61-W63 VanDerWaalsContact C-N 3.3Å; L61-W63 PolarHBondContact O-N 2.81Å; L61-L64 PolarHBondContact O-N 3.1Å; L61-N65 WeakPolarHBondContact O-CB 3.12Å; L61-N65 PolarHBondContact O-N 3.17Å; L61-N65 PolarHBondContact O-ND2 3.07Å; L61-F82 HydrophobicContact CD2-CZ 4.1Å |
| 62 | K | 93.9 | Very high | 91.2 | Very high | 126 Ų | 126 | 66.2 Ų | 66.2 | 55% | 0.548 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 175.6 | -171.3 | 176.5 | -167.1 | 168.1 | 0 | 111.8 | D36 H58 I60 S66 | D36-K62 IonicContact OD1-NZ 3.69Å; D36-K62 IonicContact OD2-NZ 2.94Å; D36-K62 PolarHBondContact OD2-NZ 3.3Å; H58-K62 WeakPolarHBondContact O-CB 3.33Å; H58-K62 PolarHBondContact O-N 3.35Å; I60-K62 VanDerWaalsContact C-N 3.35Å; I60-K62 PolarHBondContact O-N 3.07Å; K62-S66 PolarHBondContact O-N 3.37Å; K62-S66 VanDerWaalsContact O-N 3.17Å |
| 63 | W | 93.9 | Very high | 91.3 | Very high | 94 Ų | 94 | 63.5 Ų | 63.5 | 36% | 0.356 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.4 | -51 | 175.2 | 177.2 | -94.5 | 0 | 0 | 0 | 112 | I25 C59 I60 L61 N65 S66 Q67 Q72 P74 | I25-W63 HydrophobicContact CD1-CB 4.19Å; C59-W63 WeakPolarHBondContact O-CB 3.38Å; C59-W63 PolarHBondContact O-N 3.05Å; I60-W63 WeakPolarHBondContact O-CB 3.49Å; I60-W63 PolarHBondContact O-N 3.04Å; I60-W63 VanDerWaalsContact O-N 3.16Å; L61-W63 VanDerWaalsContact C-N 3.3Å; L61-W63 PolarHBondContact O-N 2.81Å; W63-N65 VanDerWaalsContact C-N 3.32Å; W63-N65 PolarHBondContact O-N 3.32Å; W63-S66 WeakPolarHBondContact O-CB 3.46Å; W63-S66 PolarHBondContact O-N 2.99Å; W63-S66 VanDerWaalsContact O-N 3.08Å; W63-S66 PolarHBondContact O-OG 3.24Å; W63-Q67 VanDerWaalsContact CE2-NE2 3.27Å; W63-Q67 PolarHBondContact O-N 3.17Å; W63-Q72 PolarHBondContact NE1-O 3.29Å; W63-P74 HydrophobicContact CD2-CG 4.03Å; W63-P74 HydrophobicContact CG-CG 4.02Å; W63-P74 HydrophobicContact CZ2-CB 4.17Å; W63-P74 HydrophobicContact CZ2-CG 4.42Å |
| 64 | L | 93.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -40 | -179.8 | -64.8 | 170.7 | 0 | 0 | 0 | 112 | I60 L61 S66 Q67 Q71 W80 F82 | I60-L64 HydrophobicContact CD1-CD2 4.44Å; I60-L64 HydrophobicContact CD1-CG 4.25Å; I60-L64 HydrophobicContact CG1-CD1 3.95Å; I60-L64 HydrophobicContact CG1-CG 4.1Å; I60-L64 WeakPolarHBondContact O-CB 3.19Å; I60-L64 WeakPolarHBondContact O-CG 3.41Å; I60-L64 PolarHBondContact O-N 2.92Å; L61-L64 PolarHBondContact O-N 3.1Å; L64-S66 VanDerWaalsContact C-N 3.27Å; L64-S66 PolarHBondContact O-N 3.48Å; L64-Q67 PolarHBondContact O-N 2.9Å; L64-Q71 HydrophobicContact CB-CG 4.25Å; L64-Q71 HydrophobicContact CD2-CB 3.74Å; L64-Q71 HydrophobicContact CD2-CG 4.05Å; L64-W80 VanDerWaalsContact CD1-CD1 3.49Å; L64-W80 HydrophobicContact CD1-CG 4.2Å; L64-W80 HydrophobicContact CD2-CB 3.63Å; L64-W80 HydrophobicContact CD2-CG 3.78Å; L64-F82 HydrophobicContact CD1-CE2 4.32Å; L64-F82 HydrophobicContact CD1-CZ 4.1Å |
| 65 | N | 92.6 | Very high | 91.2 | Very high | 129 Ų | 129 | 67.4 Ų | 67.4 | 69% | 0.69 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.3 | -23.1 | 176.8 | -71.3 | -20.9 | 0 | 0 | 0 | 113.2 | L61 W63 Q67 | L61-N65 WeakPolarHBondContact O-CB 3.12Å; L61-N65 PolarHBondContact O-N 3.17Å; L61-N65 PolarHBondContact O-ND2 3.07Å; W63-N65 VanDerWaalsContact C-N 3.32Å; W63-N65 PolarHBondContact O-N 3.32Å; N65-Q67 VanDerWaalsContact C-N 3.29Å |
| 66 | S | 91.9 | Very high | 91.1 | Very high | 83 Ų | 83 | 69.3 Ų | 69.3 | 58% | 0.58 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -77.1 | -16.5 | 175 | 77.1 | 0 | 0 | 0 | 0 | 113.2 | K62 W63 L64 | K62-S66 PolarHBondContact O-N 3.37Å; K62-S66 VanDerWaalsContact O-N 3.17Å; W63-S66 WeakPolarHBondContact O-CB 3.46Å; W63-S66 PolarHBondContact O-N 2.99Å; W63-S66 VanDerWaalsContact O-N 3.08Å; W63-S66 PolarHBondContact O-OG 3.24Å; L64-S66 VanDerWaalsContact C-N 3.27Å; L64-S66 PolarHBondContact O-N 3.48Å |
| 67 | Q | 86.6 | Confident | 91.1 | Very high | 47 Ų | 47 | 78.6 Ų | 78.6 | 22% | 0.22 | 39% | 0.388 | C | S | . | . | trans | -93 | 118.6 | -179.1 | -65.2 | -175 | -15 | 0 | 0 | 110.3 | W63 L64 N65 Q70 Q71 | W63-Q67 VanDerWaalsContact CE2-NE2 3.27Å; W63-Q67 PolarHBondContact O-N 3.17Å; L64-Q67 PolarHBondContact O-N 2.9Å; N65-Q67 VanDerWaalsContact C-N 3.29Å; Q67-Q70 PolarHBondContact OE1-O 2.92Å; Q67-Q71 VanDerWaalsContact OE1-CA 3.3Å | ||
| 68 | Q | 75.6 | Confident | 91.2 | Very high | 193 Ų | 193 | 81.3 Ų | 81.3 | 90% | 0.902 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -83.5 | -23.8 | -176.8 | -67.4 | 179.6 | 0.3 | 0 | 0 | 114 | ||
| 69 | V | 78.4 | Confident | 91.2 | Very high | 145 Ų | 145 | 83.3 Ų | 83.3 | 88% | 0.879 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -114.3 | -47.3 | -166 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 70 | Q | 84.6 | Confident | 91.3 | Very high | 107 Ų | 107 | 83.5 Ų | 83.5 | 50% | 0.5 | 41% | 0.409 | S | S | . | . | trans | -147.6 | 123.7 | -177 | -161.5 | 172.4 | 25.8 | 0 | 0 | 110 | Q67 Q72 | Q67-Q70 PolarHBondContact OE1-O 2.92Å; Q70-Q72 HydrophobicContact CB-CG 4.35Å; Q70-Q72 HydrophobicContact CG-CG 4.13Å; Q70-Q72 PolarHBondContact O-N 3.06Å | ||
| 71 | Q | 91 | Very high | 91.2 | Very high | 88 Ų | 88 | 88 Ų | 88 | 41% | 0.411 | 43% | 0.429 | S | S | . | . | trans | -78.2 | 104.9 | 178.7 | -77.3 | -163.3 | -0.4 | 0 | 0 | 110.3 | L64 Q67 E79 W80 | L64-Q71 HydrophobicContact CB-CG 4.25Å; L64-Q71 HydrophobicContact CD2-CB 3.74Å; L64-Q71 HydrophobicContact CD2-CG 4.05Å; Q67-Q71 VanDerWaalsContact OE1-CA 3.3Å; Q71-E79 WeakPolarHBondContact O-CA 3.38Å; Q71-W80 PolarHBondContact O-N 3.41Å | ||
| 72 | Q | 94.9 | Very high | 91.3 | Very high | 56 Ų | 56 | 89.2 Ų | 89.2 | 26% | 0.262 | 43% | 0.431 | S | S | . | . | B | Isolated β-bridge | trans | -120.5 | 146.8 | -173.3 | -65.2 | 178.4 | 3.4 | 0 | 0 | 112 | W63 Q70 Q78 | W63-Q72 PolarHBondContact NE1-O 3.29Å; Q70-Q72 HydrophobicContact CB-CG 4.35Å; Q70-Q72 HydrophobicContact CG-CG 4.13Å; Q70-Q72 PolarHBondContact O-N 3.06Å; Q72-Q78 CarbonylContact C-O 3.55Å; Q72-Q78 VanDerWaalsContact CA-O 3.32Å; Q72-Q78 WeakPolarHBondContact CA-O 3.15Å |
| 73 | C | 94.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 89.6 Ų | 89.6 | 1% | 0.014 | 43% | 0.433 | C | S | . | . | trans | -59.7 | 131.1 | 170.4 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | C51 M75 C76 R77 Q78 W80 | C51-C73 VanDerWaalsContact SG-SG 3.66Å; C73-M75 PolarHBondContact O-N 2.94Å; C73-M75 VanDerWaalsContact O-N 3.15Å; C73-C76 VanDerWaalsContact CB-SG 3.58Å; C73-C76 VanDerWaalsContact SG-SG 3.68Å; C73-R77 VanDerWaalsContact O-CA 3.28Å; C73-R77 WeakPolarHBondContact O-CA 3.42Å; C73-R77 PolarHBondContact O-N 2.96Å; C73-Q78 PolarHBondContact N-O 3.05Å; C73-W80 HydrophobicContact CB-CE3 3.88Å; C73-W80 HydrophobicContact CB-CZ3 4.38Å | ||
| 74 | P | 93.5 | Very high | 90.2 | Very high | 39 Ų | 39 | 97.7 Ų | 97.7 | 25% | 0.253 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26 | 177.3 | -19.2 | 25.4 | 0 | 0 | 0 | 114.6 | I25 F55 I60 W63 | I25-P74 HydrophobicContact CD1-CG 3.89Å; I25-P74 HydrophobicContact CG1-CB 4.43Å; I25-P74 HydrophobicContact CG1-CG 3.9Å; F55-P74 HydrophobicContact CE1-CG 4.31Å; F55-P74 HydrophobicContact CE2-CG 4.26Å; F55-P74 HydrophobicContact CZ-CB 4.31Å; F55-P74 HydrophobicContact CZ-CG 3.91Å; I60-P74 HydrophobicContact CD1-CG 4.18Å; W63-P74 HydrophobicContact CD2-CG 4.03Å; W63-P74 HydrophobicContact CG-CG 4.02Å; W63-P74 HydrophobicContact CZ2-CB 4.17Å; W63-P74 HydrophobicContact CZ2-CG 4.42Å |
| 75 | M | 92.9 | Very high | 90 | Very high | 99 Ų | 99 | 102.4 Ų | 102.4 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -50.4 | -171.7 | -64.3 | -71 | -76.5 | 0 | 0 | 112.3 | H53 F55 C73 | H53-M75 WeakPolarHBondContact NE2-CB 3.24Å; F55-M75 HydrophobicContact CE1-CG 4.19Å; F55-M75 HydrophobicContact CZ-CG 3.71Å; C73-M75 PolarHBondContact O-N 2.94Å; C73-M75 VanDerWaalsContact O-N 3.15Å |
| 76 | C | 94.5 | Very high | 89.9 | Confident | 44 Ų | 44 | 101 Ų | 101 | 30% | 0.297 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -3.4 | -175.5 | 64.1 | 0 | 0 | 0 | 0 | 114.8 | C73 Q78 | C73-C76 VanDerWaalsContact CB-SG 3.58Å; C73-C76 VanDerWaalsContact SG-SG 3.68Å; C76-Q78 HydrophobicContact CB-CG 4.32Å; C76-Q78 PolarHBondContact O-N 2.97Å |
| 77 | R | 92.9 | Very high | 89.8 | Confident | 194 Ų | 194 | 102 Ų | 102 | 73% | 0.732 | 48% | 0.483 | S | S | * | . | trans | 59.5 | 6.7 | -178.5 | -53.3 | -179.6 | -177.2 | 179.4 | -0.2 | 115.8 | C73 | C73-R77 VanDerWaalsContact O-CA 3.28Å; C73-R77 WeakPolarHBondContact O-CA 3.42Å; C73-R77 PolarHBondContact O-N 2.96Å | ||
| 78 | Q | 93.8 | Very high | 90 | Very high | 114 Ų | 114 | 105.2 Ų | 105.2 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -66.1 | 153.6 | 169.8 | -63.6 | 175 | 1.1 | 0 | 0 | 109.9 | Q72 C73 C76 W80 | Q72-Q78 CarbonylContact C-O 3.55Å; Q72-Q78 VanDerWaalsContact CA-O 3.32Å; Q72-Q78 WeakPolarHBondContact CA-O 3.15Å; C73-Q78 PolarHBondContact N-O 3.05Å; C76-Q78 HydrophobicContact CB-CG 4.32Å; C76-Q78 PolarHBondContact O-N 2.97Å; Q78-W80 PolarHBondContact O-N 3.43Å |
| 79 | E | 94.5 | Very high | 90.9 | Very high | 114 Ų | 114 | 99.8 Ų | 99.8 | 53% | 0.533 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -52.9 | 127.7 | 172.7 | -174.9 | -179.1 | -147.7 | 0 | 0 | 110.1 | Q71 K81 | Q71-E79 WeakPolarHBondContact O-CA 3.38Å; E79-K81 PolarHBondContact O-N 3.33Å; E79-K81 WeakPolarHBondContact OE2-CE 3.25Å; E79-K81 IonicContact OE2-NZ 2.84Å; E79-K81 PolarHBondContact OE2-NZ 3.07Å |
| 80 | W | 95.1 | Very high | 91.7 | Very high | 12 Ų | 12 | 96.7 Ų | 96.7 | 5% | 0.045 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 120.4 | -178.5 | -177.1 | -94.4 | 0 | 0 | 0 | 110.5 | G49 F55 I60 L64 Q71 C73 Q78 F82 | G49-W80 VanDerWaalsContact CA-CH2 3.42Å; F55-W80 AromaticContact CD2-CH2 3.6Å; F55-W80 HydrophobicContact CD2-CH2 3.6Å; F55-W80 HydrophobicContact CD2-CZ2 4.47Å; F55-W80 AromaticContact CD2-CZ3 3.9Å; F55-W80 HydrophobicContact CD2-CZ3 3.9Å; F55-W80 AromaticContact CE2-CH2 3.87Å; F55-W80 HydrophobicContact CE2-CH2 3.87Å; F55-W80 AromaticContact CE2-CZ3 3.66Å; F55-W80 HydrophobicContact CE2-CZ3 3.66Å; I60-W80 HydrophobicContact CD1-CD2 4.04Å; I60-W80 HydrophobicContact CD1-CE3 4.19Å; I60-W80 HydrophobicContact CD1-CH2 4.39Å; I60-W80 HydrophobicContact CD1-CZ2 4.26Å; I60-W80 HydrophobicContact CD1-CZ3 4.37Å; I60-W80 HydrophobicContact CG1-CD2 4.07Å; I60-W80 HydrophobicContact CG1-CH2 4.25Å; I60-W80 HydrophobicContact CG1-CZ2 3.71Å; L64-W80 VanDerWaalsContact CD1-CD1 3.49Å; L64-W80 HydrophobicContact CD1-CG 4.2Å; L64-W80 HydrophobicContact CD2-CB 3.63Å; L64-W80 HydrophobicContact CD2-CG 3.78Å; Q71-W80 PolarHBondContact O-N 3.41Å; C73-W80 HydrophobicContact CB-CE3 3.88Å; C73-W80 HydrophobicContact CB-CZ3 4.38Å; Q78-W80 PolarHBondContact O-N 3.43Å; W80-F82 HydrophobicContact CZ2-CD1 4.48Å; W80-F82 HydrophobicContact CZ2-CE1 4.45Å; W80-F82 AromaticContact NE1-CD1 3.75Å; W80-F82 AromaticContact NE1-CD2 3.9Å; W80-F82 AromaticContact NE1-CE1 3.54Å; W80-F82 AromaticContact NE1-CE2 3.68Å; W80-F82 AromaticContact NE1-CG 3.93Å; W80-F82 AromaticContact NE1-CZ 3.51Å |
| 81 | K | 94.3 | Very high | 92.2 | Very high | 95 Ų | 95 | 96 Ų | 96 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | trans | -129.3 | 128.5 | 169.9 | -66.9 | 179.1 | -176.3 | 162.8 | 0 | 108 | G49 Q50 E79 K83 | G49-K81 CarbonylContact C-O 3.52Å; G49-K81 VanDerWaalsContact CA-O 3.31Å; G49-K81 WeakPolarHBondContact CA-O 3.34Å; Q50-K81 HydrophobicContact CB-CB 4.49Å; Q50-K81 HydrophobicContact CG-CB 3.9Å; Q50-K81 PolarHBondContact N-O 2.94Å; E79-K81 PolarHBondContact O-N 3.33Å; E79-K81 WeakPolarHBondContact OE2-CE 3.25Å; E79-K81 IonicContact OE2-NZ 2.84Å; E79-K81 PolarHBondContact OE2-NZ 3.07Å; K81-K83 PolarHBondContact O-N 3.1Å | ||
| 82 | F | 93.6 | Very high | 92.3 | Very high | 89 Ų | 89 | 96.6 Ų | 96.6 | 39% | 0.39 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -60.9 | 135.5 | 173.3 | -67.2 | -83.9 | 0 | 0 | 0 | 109.1 | V47 M57 I60 L61 L64 W80 | V47-F82 HydrophobicContact CB-CD1 4.24Å; V47-F82 HydrophobicContact CB-CE1 4.25Å; V47-F82 HydrophobicContact CG1-CE1 4.45Å; V47-F82 HydrophobicContact CG2-CE1 4.14Å; M57-F82 HydrophobicContact SD-CE1 4.29Å; I60-F82 HydrophobicContact CG2-CE1 4.32Å; L61-F82 HydrophobicContact CD2-CZ 4.1Å; L64-F82 HydrophobicContact CD1-CE2 4.32Å; L64-F82 HydrophobicContact CD1-CZ 4.1Å; W80-F82 HydrophobicContact CZ2-CD1 4.48Å; W80-F82 HydrophobicContact CZ2-CE1 4.45Å; W80-F82 AromaticContact NE1-CD1 3.75Å; W80-F82 AromaticContact NE1-CD2 3.9Å; W80-F82 AromaticContact NE1-CE1 3.54Å; W80-F82 AromaticContact NE1-CE2 3.68Å; W80-F82 AromaticContact NE1-CG 3.93Å; W80-F82 AromaticContact NE1-CZ 3.51Å |
| 83 | K | 91.8 | Very high | 92.1 | Very high | 134 Ų | 134 | 100 Ų | 100 | 58% | 0.583 | 46% | 0.46 | S | S | * | . | trans | -78.5 | 123.5 | 169.1 | -168.5 | 178.1 | 178.9 | -175.3 | 0 | 107.1 | W48 K81 | W48-K83 HydrophobicContact CB-CB 4.09Å; W48-K83 HydrophobicContact CB-CD 4.27Å; W48-K83 WeakPolarHBondContact O-CB 3.41Å; W48-K83 PolarHBondContact O-N 3.37Å; K81-K83 PolarHBondContact O-N 3.1Å | ||
| 84 | E | 73.7 | Confident | 91.9 | Very high | 264 Ų | 264 | 108.9 Ų | 108.9 | 100% | 1.234 | 50% | 0.5 | S | S | * | . | trans | -60.7 | 0 | 171.5 | -70.5 | -179.2 | 167 | 0 | 0 | 111.7 |
Retrieved 84 of 84 residues in 112 ms
(Link to these results)