| 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 | 53.7 | Low | 62.6 | Low | 211 Ų | 211 | 113.2 Ų | 113.2 | 100% | 1.039 | 64% | 0.639 | S | S | * | * | 0 | 125.3 | 0 | -63.5 | 174.3 | 86.7 | 0 | 0 | 107.9 | L3 | M1-L3 PolarHBondContact O-N 3.3Š| |||
| 2 | R | 67.8 | Low | 62.6 | Low | 209 Ų | 209 | 118.3 Ų | 118.3 | 79% | 0.789 | 65% | 0.649 | S | S | * | * | trans | -73.5 | 126.9 | -178.1 | -70.6 | -176.9 | 169.6 | 175.1 | -3.1 | 109 | S4 A5 L6 | R2-S4 PolarHBondContact O-N 3.21Å; R2-S4 VanDerWaalsContact O-N 3.13Å; R2-A5 WeakPolarHBondContact O-CB 3.28Å; R2-A5 PolarHBondContact O-N 2.72Å; R2-L6 PolarHBondContact O-N 3.07Å | ||
| 3 | L | 72.6 | Confident | 63 | Low | 126 Ų | 126 | 114.7 Ų | 114.7 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -54 | -32.1 | 179.4 | -134.2 | 159.4 | 0 | 0 | 0 | 111.8 | M1 A5 L6 L7 | M1-L3 PolarHBondContact O-N 3.3Å; L3-A5 PolarHBondContact O-N 3.22Å; L3-L6 PolarHBondContact O-N 3.07Å; L3-L7 HydrophobicContact CD2-CD1 3.98Å; L3-L7 HydrophobicContact CD2-CG 4.15Å; L3-L7 WeakPolarHBondContact O-CG 3.19Å; L3-L7 PolarHBondContact O-N 2.88Å |
| 4 | S | 64.9 | Low | 63.9 | Low | 80 Ų | 80 | 116.6 Ų | 116.6 | 56% | 0.559 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -61.7 | -35.7 | 173.2 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | R2 A8 | R2-S4 PolarHBondContact O-N 3.21Å; R2-S4 VanDerWaalsContact O-N 3.13Å; S4-A8 VanDerWaalsContact O-CB 3.26Å; S4-A8 WeakPolarHBondContact O-CB 3.07Å; S4-A8 PolarHBondContact O-N 3.31Å |
| 5 | A | 64.3 | Low | 64.8 | Low | 60 Ų | 60 | 111.7 Ų | 111.7 | 50% | 0.496 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.1 | -37.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R2 L3 A8 L9 | R2-A5 WeakPolarHBondContact O-CB 3.28Å; R2-A5 PolarHBondContact O-N 2.72Å; L3-A5 PolarHBondContact O-N 3.22Å; A5-A8 PolarHBondContact O-N 2.87Å; A5-L9 WeakPolarHBondContact O-CB 3.46Å; A5-L9 PolarHBondContact O-N 3.08Å |
| 6 | L | 60.9 | Low | 65.7 | Low | 95 Ų | 95 | 110 Ų | 110 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.3 | -40.8 | 174.3 | -72.2 | 173.3 | 0 | 0 | 0 | 111.7 | R2 L3 L9 A10 | R2-L6 PolarHBondContact O-N 3.07Å; L3-L6 PolarHBondContact O-N 3.07Å; L6-L9 PolarHBondContact O-N 3.04Å; L6-A10 WeakPolarHBondContact O-CB 3.43Å; L6-A10 PolarHBondContact O-N 3.22Å |
| 7 | L | 64.6 | Low | 66.3 | Low | 113 Ų | 113 | 110.9 Ų | 110.9 | 59% | 0.592 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67 | -39.4 | 174.2 | -75.3 | 170.7 | 0 | 0 | 0 | 112.3 | L3 L9 A10 S11 | L3-L7 HydrophobicContact CD2-CD1 3.98Å; L3-L7 HydrophobicContact CD2-CG 4.15Å; L3-L7 WeakPolarHBondContact O-CG 3.19Å; L3-L7 PolarHBondContact O-N 2.88Å; L7-L9 VanDerWaalsContact C-N 3.3Å; L7-L9 PolarHBondContact O-N 3.39Å; L7-A10 PolarHBondContact O-N 2.89Å; L7-S11 WeakPolarHBondContact O-CB 3.27Å; L7-S11 PolarHBondContact O-N 2.84Å; L7-S11 PolarHBondContact O-OG 3.3Å |
| 8 | A | 60.6 | Low | 66.8 | Low | 57 Ų | 57 | 111.3 Ų | 111.3 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.1 | -36.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S4 A5 S11 K12 | S4-A8 VanDerWaalsContact O-CB 3.26Å; S4-A8 WeakPolarHBondContact O-CB 3.07Å; S4-A8 PolarHBondContact O-N 3.31Å; A5-A8 PolarHBondContact O-N 2.87Å; A8-S11 VanDerWaalsContact C-OG 3.31Å; A8-S11 WeakPolarHBondContact CA-OG 3.45Å; A8-S11 PolarHBondContact O-N 3.45Å; A8-S11 PolarHBondContact O-OG 3.02Å; A8-K12 PolarHBondContact O-N 3.26Å |
| 9 | L | 60.3 | Low | 67.6 | Low | 134 Ų | 134 | 107.1 Ų | 107.1 | 70% | 0.702 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.7 | -38.3 | 176.4 | -146.1 | 118.1 | 0 | 0 | 0 | 112 | A5 L6 L7 S11 K12 | A5-L9 WeakPolarHBondContact O-CB 3.46Å; A5-L9 PolarHBondContact O-N 3.08Å; L6-L9 PolarHBondContact O-N 3.04Å; L7-L9 VanDerWaalsContact C-N 3.3Å; L7-L9 PolarHBondContact O-N 3.39Å; L9-S11 VanDerWaalsContact C-N 3.26Å; L9-S11 PolarHBondContact O-N 2.9Å; L9-K12 WeakPolarHBondContact O-CB 3.46Å; L9-K12 PolarHBondContact O-N 2.91Å; L9-K12 VanDerWaalsContact O-N 3.1Å |
| 10 | A | 59.4 | Low | 68.2 | Low | 81 Ų | 81 | 106.6 Ų | 106.6 | 67% | 0.669 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.4 | -28.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L6 L7 K12 | L6-A10 WeakPolarHBondContact O-CB 3.43Å; L6-A10 PolarHBondContact O-N 3.22Å; L7-A10 PolarHBondContact O-N 2.89Å; A10-K12 PolarHBondContact O-N 3.07Å |
| 11 | S | 59.7 | Low | 68.7 | Low | 79 Ų | 79 | 109.4 Ų | 109.4 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -3.5 | 171.8 | 75.4 | 0 | 0 | 0 | 0 | 114 | L7 A8 L9 V13 | L7-S11 WeakPolarHBondContact O-CB 3.27Å; L7-S11 PolarHBondContact O-N 2.84Å; L7-S11 PolarHBondContact O-OG 3.3Å; A8-S11 VanDerWaalsContact C-OG 3.31Å; A8-S11 WeakPolarHBondContact CA-OG 3.45Å; A8-S11 PolarHBondContact O-N 3.45Å; A8-S11 PolarHBondContact O-OG 3.02Å; L9-S11 VanDerWaalsContact C-N 3.26Å; L9-S11 PolarHBondContact O-N 2.9Å; S11-V13 PolarHBondContact O-N 3.15Å |
| 12 | K | 62.2 | Low | 70 | Confident | 174 Ų | 174 | 101.8 Ų | 101.8 | 76% | 0.757 | 56% | 0.564 | S | S | * | * | trans | -74.8 | 75.7 | 172.8 | -155.4 | 177.7 | -174.8 | -176.9 | 0 | 108.1 | A8 L9 A10 T14 | A8-K12 PolarHBondContact O-N 3.26Å; L9-K12 WeakPolarHBondContact O-CB 3.46Å; L9-K12 PolarHBondContact O-N 2.91Å; L9-K12 VanDerWaalsContact O-N 3.1Å; A10-K12 PolarHBondContact O-N 3.07Å; K12-T14 PolarHBondContact O-N 3Å | ||
| 13 | V | 68.2 | Low | 70.8 | Confident | 72 Ų | 72 | 100.8 Ų | 100.8 | 44% | 0.436 | 57% | 0.571 | S | S | . | * | trans | -62.4 | 124.1 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | S11 L15 P26 | S11-V13 PolarHBondContact O-N 3.15Å; V13-L15 HydrophobicContact CB-CD1 4.47Å; V13-L15 HydrophobicContact CB-CD2 4.22Å; V13-L15 HydrophobicContact CB-CG 4.07Å; V13-L15 HydrophobicContact CG1-CD2 3.47Å; V13-L15 VanDerWaalsContact CG1-CD2 3.47Å; V13-L15 HydrophobicContact CG1-CG 3.77Å; V13-L15 PolarHBondContact O-N 2.89Å; V13-L15 VanDerWaalsContact O-N 3.1Å; V13-P26 HydrophobicContact CG1-CB 4.41Å; V13-P26 HydrophobicContact CG2-CB 4.24Å | ||
| 14 | T | 75.5 | Confident | 71.3 | Confident | 141 Ų | 141 | 96.1 Ų | 96.1 | 87% | 0.865 | 55% | 0.548 | S | S | * | . | trans | -72.3 | 99.9 | 170.2 | 42.1 | 0 | 0 | 0 | 0 | 108.2 | K12 | K12-T14 PolarHBondContact O-N 3Š| ||
| 15 | L | 77.2 | Confident | 72.1 | Confident | 44 Ų | 44 | 96.7 Ų | 96.7 | 23% | 0.23 | 55% | 0.55 | C | S | . | * | trans | -97.9 | 149.4 | -175.1 | -67.1 | 165.3 | 0 | 0 | 0 | 111.2 | V13 Y19 Y21 P26 | V13-L15 HydrophobicContact CB-CD1 4.47Å; V13-L15 HydrophobicContact CB-CD2 4.22Å; V13-L15 HydrophobicContact CB-CG 4.07Å; V13-L15 HydrophobicContact CG1-CD2 3.47Å; V13-L15 VanDerWaalsContact CG1-CD2 3.47Å; V13-L15 HydrophobicContact CG1-CG 3.77Å; V13-L15 PolarHBondContact O-N 2.89Å; V13-L15 VanDerWaalsContact O-N 3.1Å; L15-Y19 HydrophobicContact CB-CD1 4.17Å; L15-Y19 HydrophobicContact CB-CD2 4.42Å; L15-Y19 HydrophobicContact CB-CG 3.93Å; L15-Y19 HydrophobicContact CD1-CD1 3.57Å; L15-Y19 HydrophobicContact CD1-CE1 3.52Å; L15-Y19 HydrophobicContact CD1-CG 4.13Å; L15-Y19 HydrophobicContact CD2-CD1 4.16Å; L15-Y19 HydrophobicContact CD2-CD2 3.78Å; L15-Y19 HydrophobicContact CD2-CE1 4.03Å; L15-Y19 HydrophobicContact CD2-CE2 3.65Å; L15-Y19 HydrophobicContact CD2-CG 3.99Å; L15-Y19 HydrophobicContact CG-CD1 4.16Å; L15-Y19 HydrophobicContact CG-CD2 4.5Å; L15-Y19 HydrophobicContact CG-CE1 4.28Å; L15-Y19 HydrophobicContact CG-CG 4.22Å; L15-Y21 HydrophobicContact CD1-CD1 4.37Å; L15-Y21 HydrophobicContact CD1-CE1 3.42Å; L15-Y21 VanDerWaalsContact CD1-CE1 3.42Å; L15-P26 HydrophobicContact CD2-CB 4.26Å | ||
| 16 | P | 79.4 | Confident | 72.9 | Confident | 84 Ų | 84 | 97 Ų | 97 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | trans | -58.4 | 153.4 | 176.4 | -23 | 31.8 | 0 | 0 | 0 | 112.6 | H18 Y19 | P16-H18 PolarHBondContact O-N 2.96Å; P16-Y19 VanDerWaalsContact O-CB 3.27Å; P16-Y19 WeakPolarHBondContact O-CB 3.48Å; P16-Y19 PolarHBondContact O-N 2.8Å | ||
| 17 | P | 75.6 | Confident | 73.8 | Confident | 126 Ų | 126 | 94.6 Ų | 94.6 | 82% | 0.818 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -13.2 | -176.8 | -26.1 | 34 | 0 | 0 | 0 | 116.6 | ||
| 18 | H | 75.2 | Confident | 74.8 | Confident | 118 Ų | 118 | 90.8 Ų | 90.8 | 55% | 0.546 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 20.2 | -178.4 | -53.1 | -48.7 | 0 | 0 | 0 | 112.6 | P16 R20 | P16-H18 PolarHBondContact O-N 2.96Å; H18-R20 PolarHBondContact O-N 3.4Å |
| 19 | Y | 82.1 | Confident | 76.1 | Confident | 31 Ų | 31 | 94.2 Ų | 94.2 | 12% | 0.122 | 54% | 0.543 | C | S | . | . | trans | -66.4 | 128.7 | 179.5 | -177.3 | -92.5 | 0 | 0 | 0 | 111.3 | L15 P16 Y21 P26 D31 N35 | L15-Y19 HydrophobicContact CB-CD1 4.17Å; L15-Y19 HydrophobicContact CB-CD2 4.42Å; L15-Y19 HydrophobicContact CB-CG 3.93Å; L15-Y19 HydrophobicContact CD1-CD1 3.57Å; L15-Y19 HydrophobicContact CD1-CE1 3.52Å; L15-Y19 HydrophobicContact CD1-CG 4.13Å; L15-Y19 HydrophobicContact CD2-CD1 4.16Å; L15-Y19 HydrophobicContact CD2-CD2 3.78Å; L15-Y19 HydrophobicContact CD2-CE1 4.03Å; L15-Y19 HydrophobicContact CD2-CE2 3.65Å; L15-Y19 HydrophobicContact CD2-CG 3.99Å; L15-Y19 HydrophobicContact CG-CD1 4.16Å; L15-Y19 HydrophobicContact CG-CD2 4.5Å; L15-Y19 HydrophobicContact CG-CE1 4.28Å; L15-Y19 HydrophobicContact CG-CG 4.22Å; P16-Y19 VanDerWaalsContact O-CB 3.27Å; P16-Y19 WeakPolarHBondContact O-CB 3.48Å; P16-Y19 PolarHBondContact O-N 2.8Å; Y19-Y21 HydrophobicContact CD1-CD1 4.09Å; Y19-Y21 HydrophobicContact CD1-CD2 4.36Å; Y19-Y21 HydrophobicContact CD1-CE1 4.04Å; Y19-Y21 HydrophobicContact CD1-CE2 4.32Å; Y19-Y21 HydrophobicContact CD1-CG 4.26Å; Y19-Y21 HydrophobicContact CE1-CD1 4Å; Y19-Y21 HydrophobicContact CE1-CE1 4.16Å; Y19-Y21 HydrophobicContact CE1-CG 4.44Å; Y19-Y21 PolarHBondContact O-N 2.87Å; Y19-P26 VanDerWaalsContact OH-CA 3.29Å; Y19-P26 WeakPolarHBondContact OH-CA 3.45Å; Y19-P26 WeakPolarHBondContact OH-CB 3.2Å; Y19-D31 WeakPolarHBondContact CE2-OD1 3.43Å; Y19-D31 WeakPolarHBondContact CE2-OD2 3.43Å; Y19-D31 PolarHBondContact OH-OD1 3.14Å; Y19-D31 PolarHBondContact OH-OD2 3.43Å; Y19-N35 HydrophobicContact CD2-CB 4.32Å; Y19-N35 WeakPolarHBondContact CD2-ND2 3.36Å; Y19-N35 HydrophobicContact CE2-CB 4.33Å; Y19-N35 WeakPolarHBondContact CE2-ND2 3.35Å | ||
| 20 | R | 79 | Confident | 77.4 | Confident | 97 Ų | 97 | 90.1 Ų | 90.1 | 37% | 0.366 | 53% | 0.528 | S | S | . | . | trans | -84.2 | 109.7 | 176.7 | -59.2 | 169.6 | 173.9 | -172.7 | -8.1 | 109.4 | H18 N35 I39 | H18-R20 PolarHBondContact O-N 3.4Å; R20-N35 WeakPolarHBondContact CA-OD1 3.33Å; R20-N35 WeakPolarHBondContact CB-OD1 3.4Å; R20-N35 WeakPolarHBondContact CG-OD1 3.26Å; R20-N35 PolarHBondContact N-ND2 2.65Å; R20-N35 PolarHBondContact N-OD1 3.38Å; R20-N35 PolarHBondContact O-ND2 3.4Å; R20-I39 VanDerWaalsContact NH2-CG2 3.28Å | ||
| 21 | Y | 79.2 | Confident | 78.7 | Confident | 166 Ų | 166 | 86.7 Ų | 86.7 | 65% | 0.651 | 50% | 0.499 | S | S | * | . | trans | -67 | 137.5 | 168.7 | -66 | -81.5 | 0 | 0 | 0 | 110.2 | L15 Y19 | L15-Y21 HydrophobicContact CD1-CD1 4.37Å; L15-Y21 HydrophobicContact CD1-CE1 3.42Å; L15-Y21 VanDerWaalsContact CD1-CE1 3.42Å; Y19-Y21 HydrophobicContact CD1-CD1 4.09Å; Y19-Y21 HydrophobicContact CD1-CD2 4.36Å; Y19-Y21 HydrophobicContact CD1-CE1 4.04Å; Y19-Y21 HydrophobicContact CD1-CE2 4.32Å; Y19-Y21 HydrophobicContact CD1-CG 4.26Å; Y19-Y21 HydrophobicContact CE1-CD1 4Å; Y19-Y21 HydrophobicContact CE1-CE1 4.16Å; Y19-Y21 HydrophobicContact CE1-CG 4.44Å; Y19-Y21 PolarHBondContact O-N 2.87Å | ||
| 22 | G | 81.9 | Confident | 80 | Confident | 50 Ų | 50 | 89.6 Ų | 89.6 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | trans | -154.1 | -174.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | S24 | G22-S24 PolarHBondContact O-N 3.1Š| ||
| 23 | M | 83.8 | Confident | 81.2 | Confident | 189 Ų | 189 | 91.9 Ų | 91.9 | 93% | 0.931 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -73.6 | -5.7 | -177.9 | -58.2 | -58.4 | -71.6 | 0 | 0 | 114 | ||
| 24 | S | 83.4 | Confident | 82 | Confident | 28 Ų | 28 | 94.1 Ų | 94.1 | 20% | 0.196 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -89.5 | 136.4 | -178.6 | -58.5 | 0 | 0 | 0 | 0 | 110 | G22 | G22-S24 PolarHBondContact O-N 3.1Š|
| 25 | P | 81.4 | Confident | 82.4 | Confident | 92 Ų | 92 | 88.8 Ų | 88.8 | 60% | 0.597 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 139.3 | 176.2 | -23.8 | 32.9 | 0 | 0 | 0 | 111.5 | G27 S28 D31 | P25-G27 PolarHBondContact O-N 3.3Å; P25-S28 WeakPolarHBondContact O-CB 3.36Å; P25-S28 PolarHBondContact O-N 3.33Å; P25-S28 VanDerWaalsContact O-N 3.14Å; P25-S28 PolarHBondContact O-OG 2.71Å; P25-D31 WeakPolarHBondContact O-CB 3.39Å |
| 26 | P | 81.9 | Confident | 82.8 | Confident | 65 Ų | 65 | 87.4 Ų | 87.4 | 42% | 0.422 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 134.6 | 176.5 | -26.6 | 34.4 | 0 | 0 | 0 | 112.9 | V13 L15 Y19 S28 D31 | V13-P26 HydrophobicContact CG1-CB 4.41Å; V13-P26 HydrophobicContact CG2-CB 4.24Å; L15-P26 HydrophobicContact CD2-CB 4.26Å; Y19-P26 VanDerWaalsContact OH-CA 3.29Å; Y19-P26 WeakPolarHBondContact OH-CA 3.45Å; Y19-P26 WeakPolarHBondContact OH-CB 3.2Å; P26-S28 VanDerWaalsContact C-N 3.27Å; P26-S28 PolarHBondContact O-N 3.19Å; P26-D31 WeakPolarHBondContact CA-OD2 3.4Å |
| 27 | G | 78.4 | Confident | 82.8 | Confident | 45 Ų | 45 | 88.7 Ų | 88.7 | 46% | 0.464 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -7.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | P25 D31 K32 | P25-G27 PolarHBondContact O-N 3.3Å; G27-D31 PolarHBondContact N-OD2 2.79Å; G27-K32 VanDerWaalsContact O-CE 3.27Å; G27-K32 WeakPolarHBondContact O-CE 3.34Å |
| 28 | S | 86.5 | Confident | 83.1 | Confident | 34 Ų | 34 | 92.4 Ų | 92.4 | 24% | 0.238 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -63.4 | 158.6 | 170.3 | 68.5 | 0 | 0 | 0 | 0 | 111.9 | P25 P26 A30 D31 K32 | P25-S28 WeakPolarHBondContact O-CB 3.36Å; P25-S28 PolarHBondContact O-N 3.33Å; P25-S28 VanDerWaalsContact O-N 3.14Å; P25-S28 PolarHBondContact O-OG 2.71Å; P26-S28 VanDerWaalsContact C-N 3.27Å; P26-S28 PolarHBondContact O-N 3.19Å; S28-A30 PolarHBondContact O-N 3.19Å; S28-D31 PolarHBondContact O-N 3.21Å; S28-D31 WeakPolarHBondContact OG-CB 3.27Å; S28-D31 PolarHBondContact OG-N 3.4Å; S28-K32 WeakPolarHBondContact O-CG 3.29Å; S28-K32 PolarHBondContact O-N 3.37Å |
| 29 | V | 88.5 | Confident | 83.3 | Confident | 128 Ų | 128 | 90.3 Ų | 90.3 | 78% | 0.776 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.6 | -38.6 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | R33 | V29-R33 WeakPolarHBondContact O-CB 3.45Å; V29-R33 PolarHBondContact O-N 3.1Å; V29-R33 VanDerWaalsContact O-N 3.07Å |
| 30 | A | 87.6 | Confident | 82.9 | Confident | 48 Ų | 48 | 97.2 Ų | 97.2 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S28 K34 | S28-A30 PolarHBondContact O-N 3.19Å; A30-K34 WeakPolarHBondContact O-CG 3.21Å; A30-K34 PolarHBondContact O-N 3.46Å |
| 31 | D | 87 | Confident | 82.5 | Confident | 10 Ų | 10 | 102.2 Ų | 102.2 | 5% | 0.053 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -63.7 | -51.7 | 174.4 | 171.9 | 42.5 | 0 | 0 | 0 | 111.7 | Y19 P25 P26 G27 S28 R33 K34 N35 | Y19-D31 WeakPolarHBondContact CE2-OD1 3.43Å; Y19-D31 WeakPolarHBondContact CE2-OD2 3.43Å; Y19-D31 PolarHBondContact OH-OD1 3.14Å; Y19-D31 PolarHBondContact OH-OD2 3.43Å; P25-D31 WeakPolarHBondContact O-CB 3.39Å; P26-D31 WeakPolarHBondContact CA-OD2 3.4Å; G27-D31 PolarHBondContact N-OD2 2.79Å; S28-D31 PolarHBondContact O-N 3.21Å; S28-D31 WeakPolarHBondContact OG-CB 3.27Å; S28-D31 PolarHBondContact OG-N 3.4Å; D31-R33 PolarHBondContact O-N 3.43Å; D31-R33 VanDerWaalsContact O-N 3.15Å; D31-K34 WeakPolarHBondContact O-CA 3.21Å; D31-K34 PolarHBondContact O-N 2.66Å; D31-N35 PolarHBondContact O-N 3.43Å; D31-N35 PolarHBondContact OD1-ND2 2.81Å |
| 32 | K | 85.8 | Confident | 82.3 | Confident | 140 Ų | 140 | 105.1 Ų | 105.1 | 61% | 0.609 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -55.6 | -36.8 | 178.5 | -71.1 | 177.9 | 179.6 | 176.3 | 0 | 112.7 | G27 S28 N35 | G27-K32 VanDerWaalsContact O-CE 3.27Å; G27-K32 WeakPolarHBondContact O-CE 3.34Å; S28-K32 WeakPolarHBondContact O-CG 3.29Å; S28-K32 PolarHBondContact O-N 3.37Å; K32-N35 CarbonylContact O-C 3.41Å |
| 33 | R | 87.3 | Confident | 81.6 | Confident | 221 Ų | 221 | 108.2 Ų | 108.2 | 83% | 0.834 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69 | -32.2 | 176.7 | -170.8 | 176.3 | 179.5 | -178.1 | 0 | 112.8 | V29 D31 | V29-R33 WeakPolarHBondContact O-CB 3.45Å; V29-R33 PolarHBondContact O-N 3.1Å; V29-R33 VanDerWaalsContact O-N 3.07Å; D31-R33 PolarHBondContact O-N 3.43Å; D31-R33 VanDerWaalsContact O-N 3.15Å |
| 34 | K | 84.4 | Confident | 80.8 | Confident | 119 Ų | 119 | 103 Ų | 103 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -82.5 | -26.6 | 177.6 | -73 | 179.8 | 177.6 | 179.8 | 0 | 113.1 | A30 D31 P36 | A30-K34 WeakPolarHBondContact O-CG 3.21Å; A30-K34 PolarHBondContact O-N 3.46Å; D31-K34 WeakPolarHBondContact O-CA 3.21Å; D31-K34 PolarHBondContact O-N 2.66Å; K34-P36 VanDerWaalsContact O-CD 3.28Å; K34-P36 WeakPolarHBondContact O-CD 3.47Å |
| 35 | N | 85.9 | Confident | 80 | Confident | 29 Ų | 29 | 108.2 Ų | 108.2 | 16% | 0.155 | 54% | 0.542 | C | S | . | . | S | Bend | trans | -114.9 | 60.1 | 179.2 | -80.1 | -43.4 | 0 | 0 | 0 | 113.1 | Y19 R20 D31 K32 | Y19-N35 HydrophobicContact CD2-CB 4.32Å; Y19-N35 WeakPolarHBondContact CD2-ND2 3.36Å; Y19-N35 HydrophobicContact CE2-CB 4.33Å; Y19-N35 WeakPolarHBondContact CE2-ND2 3.35Å; R20-N35 WeakPolarHBondContact CA-OD1 3.33Å; R20-N35 WeakPolarHBondContact CB-OD1 3.4Å; R20-N35 WeakPolarHBondContact CG-OD1 3.26Å; R20-N35 PolarHBondContact N-ND2 2.65Å; R20-N35 PolarHBondContact N-OD1 3.38Å; R20-N35 PolarHBondContact O-ND2 3.4Å; D31-N35 PolarHBondContact O-N 3.43Å; D31-N35 PolarHBondContact OD1-ND2 2.81Å; K32-N35 CarbonylContact O-C 3.41Å |
| 36 | P | 85.6 | Confident | 79.3 | Confident | 16 Ų | 16 | 107.2 Ų | 107.2 | 10% | 0.104 | 53% | 0.534 | C | S | . | . | trans | -69.9 | 143.8 | 172.2 | 29 | -31.3 | 0 | 0 | 0 | 110.5 | K34 W38 I39 | K34-P36 VanDerWaalsContact O-CD 3.28Å; K34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-W38 HydrophobicContact CB-CD2 3.94Å; P36-W38 HydrophobicContact CB-CE3 4.21Å; P36-W38 HydrophobicContact CB-CH2 3.75Å; P36-W38 HydrophobicContact CB-CZ2 3.47Å; P36-W38 VanDerWaalsContact CB-CZ2 3.47Å; P36-W38 HydrophobicContact CB-CZ3 4.12Å; P36-W38 HydrophobicContact CG-CZ2 4.3Å; P36-W38 PolarHBondContact O-N 2.86Å; P36-W38 VanDerWaalsContact O-N 3.08Å; P36-I39 HydrophobicContact CG-CB 3.82Å; P36-I39 HydrophobicContact CG-CD1 3.39Å; P36-I39 HydrophobicContact CG-CG1 3.59Å; P36-I39 PolarHBondContact O-N 3.46Å | ||
| 37 | P | 79.1 | Confident | 78.8 | Confident | 111 Ų | 111 | 112.1 Ų | 112.1 | 72% | 0.721 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -21 | -169.6 | 21.7 | -31.4 | 0 | 0 | 0 | 114.4 | ||
| 38 | W | 80.5 | Confident | 78.5 | Confident | 203 Ų | 203 | 115.9 Ų | 115.9 | 77% | 0.769 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -11.2 | 178.5 | 57.4 | 89.4 | 0 | 0 | 0 | 114 | P36 | P36-W38 HydrophobicContact CB-CD2 3.94Å; P36-W38 HydrophobicContact CB-CE3 4.21Å; P36-W38 HydrophobicContact CB-CH2 3.75Å; P36-W38 HydrophobicContact CB-CZ2 3.47Å; P36-W38 VanDerWaalsContact CB-CZ2 3.47Å; P36-W38 HydrophobicContact CB-CZ3 4.12Å; P36-W38 HydrophobicContact CG-CZ2 4.3Å; P36-W38 PolarHBondContact O-N 2.86Å; P36-W38 VanDerWaalsContact O-N 3.08Å |
| 39 | I | 79.9 | Confident | 77.8 | Confident | 75 Ų | 75 | 119.2 Ų | 119.2 | 39% | 0.385 | 58% | 0.582 | S | S | . | * | trans | -99.4 | 111.6 | -179.9 | -61.6 | -176.5 | 0 | 0 | 0 | 109.2 | R20 P36 | R20-I39 VanDerWaalsContact NH2-CG2 3.28Å; P36-I39 HydrophobicContact CG-CB 3.82Å; P36-I39 HydrophobicContact CG-CD1 3.39Å; P36-I39 HydrophobicContact CG-CG1 3.59Å; P36-I39 PolarHBondContact O-N 3.46Å | ||
| 40 | R | 74.7 | Confident | 77.4 | Confident | 176 Ų | 176 | 115.8 Ų | 115.8 | 66% | 0.664 | 56% | 0.563 | S | S | * | * | trans | -107.2 | 151.3 | 169.2 | -60 | -176.2 | -175.5 | -177.5 | 1.7 | 109.5 | ||||
| 41 | R | 70.2 | Confident | 76.7 | Confident | 201 Ų | 201 | 120.4 Ų | 120.4 | 76% | 0.758 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 139.5 | 166.4 | -67.2 | -176.5 | 82.8 | 168.5 | 2.4 | 107.4 | ||
| 42 | R | 73.6 | Confident | 76.2 | Confident | 228 Ų | 228 | 128 Ų | 128 | 86% | 0.86 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 126.5 | 166.7 | -70.2 | -178.1 | 178 | 176.1 | -1.5 | 106.5 | V44 | R42-V44 PolarHBondContact O-N 3.36Š|
| 43 | P | 68.7 | Low | 75.5 | Confident | 115 Ų | 115 | 126.1 Ų | 126.1 | 75% | 0.747 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 129 | 170.9 | 26.2 | -31.8 | 0 | 0 | 0 | 107.3 | ||
| 44 | V | 66.6 | Low | 74.7 | Confident | 78 Ų | 78 | 122.8 Ų | 122.8 | 47% | 0.473 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -90 | 121.5 | 170.4 | -176.5 | 0 | 0 | 0 | 0 | 104.9 | R42 V46 | R42-V44 PolarHBondContact O-N 3.36Å; V44-V46 HydrophobicContact CB-CG2 4.26Å; V44-V46 HydrophobicContact CG1-CG2 3.65Å; V44-V46 PolarHBondContact O-N 2.98Å |
| 45 | V | 65.9 | Low | 74.2 | Confident | 139 Ų | 139 | 125.2 Ų | 125.2 | 84% | 0.842 | 61% | 0.608 | S | S | * | * | trans | -84.2 | 100.3 | 175.3 | -176 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 46 | V | 66.2 | Low | 73.5 | Confident | 70 Ų | 70 | 129 Ų | 129 | 42% | 0.424 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -101.3 | 128.9 | 174.4 | -170.4 | 0 | 0 | 0 | 0 | 107.9 | V44 E63 | V44-V46 HydrophobicContact CB-CG2 4.26Å; V44-V46 HydrophobicContact CG1-CG2 3.65Å; V44-V46 PolarHBondContact O-N 2.98Å; V46-E63 HydrophobicContact CG2-CB 3.94Å |
| 47 | E | 73 | Confident | 73.2 | Confident | 168 Ų | 168 | 135.1 Ų | 135.1 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 128.2 | 170 | -68.5 | -175.2 | 169.1 | 0 | 0 | 108.9 | I49 | E47-I49 PolarHBondContact O-N 3.47Š|
| 48 | P | 71.1 | Confident | 73.1 | Confident | 125 Ų | 125 | 136.7 Ų | 136.7 | 81% | 0.812 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 120.7 | 177.5 | 25.6 | -31.3 | 0 | 0 | 0 | 109.3 | ||
| 49 | I | 73 | Confident | 73 | Confident | 103 Ų | 103 | 130.5 Ų | 130.5 | 53% | 0.528 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -75.6 | 140.7 | 176.2 | -55.3 | 173.6 | 0 | 0 | 0 | 108.1 | E47 D53 | E47-I49 PolarHBondContact O-N 3.47Å; I49-D53 HydrophobicContact CG2-CB 4.04Å |
| 50 | S | 79.2 | Confident | 73.1 | Confident | 56 Ų | 56 | 131 Ų | 131 | 39% | 0.392 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 141.6 | 170 | 30 | 0 | 0 | 0 | 0 | 111.2 | E52 D53 | S50-E52 PolarHBondContact O-N 2.9Å; S50-E52 VanDerWaalsContact O-N 3.07Å; S50-D53 PolarHBondContact O-N 2.92Å; S50-D53 VanDerWaalsContact O-N 3.07Å; S50-D53 PolarHBondContact OG-OD2 3.28Å |
| 51 | D | 74 | Confident | 73.1 | Confident | 145 Ų | 145 | 128.8 Ų | 128.8 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -57.5 | -27.2 | 179.5 | -68.1 | -26.2 | 0 | 0 | 0 | 113 | ||
| 52 | E | 75.8 | Confident | 73.4 | Confident | 171 Ų | 171 | 123.9 Ų | 123.9 | 80% | 0.799 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -74 | -24.4 | -178.7 | -66.8 | 159.6 | -176.3 | 0 | 0 | 113.2 | S50 | S50-E52 PolarHBondContact O-N 2.9Å; S50-E52 VanDerWaalsContact O-N 3.07Å |
| 53 | D | 71.3 | Confident | 73.3 | Confident | 99 Ų | 99 | 117 Ų | 117 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | G | 310 helix | trans | -106.2 | 12.4 | -176 | -64.7 | -54.8 | 0 | 0 | 0 | 112.8 | I49 S50 Y55 | I49-D53 HydrophobicContact CG2-CB 4.04Å; S50-D53 PolarHBondContact O-N 2.92Å; S50-D53 VanDerWaalsContact O-N 3.07Å; S50-D53 PolarHBondContact OG-OD2 3.28Å; D53-Y55 PolarHBondContact O-N 3.43Å |
| 54 | W | 69.3 | Low | 73.7 | Confident | 151 Ų | 151 | 118.6 Ų | 118.6 | 57% | 0.572 | 64% | 0.644 | S | S | * | * | trans | -76.1 | 83.5 | -172.6 | -160.5 | -60.5 | 0 | 0 | 0 | 112.2 | L56 | W54-L56 VanDerWaalsContact NE1-CG 3.26Š| ||
| 55 | Y | 75 | Confident | 74.1 | Confident | 171 Ų | 171 | 121.6 Ų | 121.6 | 67% | 0.671 | 66% | 0.657 | S | S | * | * | trans | -108.7 | 107.5 | 166.6 | -56.8 | -73.9 | 0 | 0 | 0 | 109.5 | D53 | D53-Y55 PolarHBondContact O-N 3.43Š| ||
| 56 | L | 70.6 | Confident | 74.3 | Confident | 108 Ų | 108 | 123.7 Ų | 123.7 | 57% | 0.565 | 66% | 0.657 | S | S | * | * | trans | -88.7 | 124.3 | 172.9 | -74.8 | 168.5 | 0 | 0 | 0 | 110 | W54 V62 | W54-L56 VanDerWaalsContact NE1-CG 3.26Å; L56-V62 HydrophobicContact CD2-CG1 3.79Å | ||
| 57 | F | 79.4 | Confident | 74.9 | Confident | 144 Ų | 144 | 123.9 Ų | 123.9 | 63% | 0.632 | 67% | 0.673 | S | S | * | * | trans | -109.7 | 155.2 | 173.2 | -61.6 | -80.4 | 0 | 0 | 0 | 111.4 | G59 D60 | F57-G59 PolarHBondContact O-N 3.44Å; F57-D60 PolarHBondContact N-OD2 3.13Å; F57-D60 PolarHBondContact O-N 2.88Å | ||
| 58 | C | 77.1 | Confident | 73.7 | Confident | 145 Ų | 145 | 128.3 Ų | 128.3 | 98% | 0.98 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 119.3 | 176.1 | -169.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 59 | G | 79.5 | Confident | 73.8 | Confident | 73 Ų | 73 | 128.5 Ų | 128.5 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 114 | -11.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F57 | F57-G59 PolarHBondContact O-N 3.44Š|
| 60 | D | 81.1 | Confident | 73.9 | Confident | 86 Ų | 86 | 129.8 Ų | 129.8 | 46% | 0.46 | 69% | 0.692 | S | S | . | * | trans | -66 | 140.6 | 176 | -66.2 | -22 | 0 | 0 | 0 | 111.3 | F57 V62 | F57-D60 PolarHBondContact N-OD2 3.13Å; F57-D60 PolarHBondContact O-N 2.88Å; D60-V62 HydrophobicContact CB-CG1 4.47Å | ||
| 61 | T | 74.1 | Confident | 73.6 | Confident | 128 Ų | 128 | 133.9 Ų | 133.9 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | -87.5 | 110.8 | 175 | -56.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 62 | V | 76 | Confident | 73.6 | Confident | 99 Ų | 99 | 133.2 Ų | 133.2 | 60% | 0.6 | 71% | 0.705 | S | S | * | * | trans | -116.3 | 151.7 | -178.6 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | L56 D60 | L56-V62 HydrophobicContact CD2-CG1 3.79Å; D60-V62 HydrophobicContact CB-CG1 4.47Å | ||
| 63 | E | 72.7 | Confident | 73.4 | Confident | 83 Ų | 83 | 130.9 Ų | 130.9 | 39% | 0.388 | 70% | 0.699 | S | S | . | * | trans | -110.8 | 136.1 | 169.5 | -173 | 167.4 | -150.4 | 0 | 0 | 110.3 | V46 L65 | V46-E63 HydrophobicContact CG2-CB 3.94Å; E63-L65 HydrophobicContact CG-CD2 4.4Å; E63-L65 PolarHBondContact O-N 3.46Å | ||
| 64 | I | 77.4 | Confident | 73.6 | Confident | 148 Ų | 148 | 133 Ų | 133 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | trans | -85.7 | 106.2 | 175.6 | -58.8 | 172.4 | 0 | 0 | 0 | 107.3 | E66 | I64-E66 WeakPolarHBondContact CG2-O 3.39Š| ||
| 65 | L | 73.7 | Confident | 73.9 | Confident | 141 Ų | 141 | 131.7 Ų | 131.7 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | -77.7 | -37.5 | -179.3 | -59.1 | 179.2 | 0 | 0 | 0 | 112.2 | E63 | E63-L65 HydrophobicContact CG-CD2 4.4Å; E63-L65 PolarHBondContact O-N 3.46Å | ||
| 66 | E | 71.2 | Confident | 73.8 | Confident | 183 Ų | 183 | 128.7 Ų | 128.7 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -139 | 140.2 | -179 | -62.5 | -172.1 | 168.5 | 0 | 0 | 111.1 | I64 | I64-E66 WeakPolarHBondContact CG2-O 3.39Š|
| 67 | G | 77.9 | Confident | 74.1 | Confident | 74 Ų | 74 | 130.4 Ų | 130.4 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | trans | 165.7 | 160.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 68 | K | 48.8 | Very low | 73.6 | Confident | 261 Ų | 261 | 129.2 Ų | 129.2 | 100% | 1.135 | 75% | 0.747 | S | S | * | * | trans | -94.1 | 0 | -175.6 | -172.1 | -178.7 | 179.2 | -176 | 0 | 112.9 |
Retrieved 68 of 68 residues in 36.4 ms
(Link to these results)