| 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 | 56.8 | Low | 64.4 | Low | 165 Ų | 165 | 112.9 Ų | 112.9 | 81% | 0.813 | 59% | 0.589 | S | S | * | * | 0 | -24.7 | 0 | -55.4 | -130.3 | -66.7 | 0 | 0 | 114.5 | R126 | M1-R126 HydrophobicContact CE-CB 4.48Å; M1-R126 WeakPolarHBondContact CE-O 3.21Å | |||
| 2 | R | 60.4 | Low | 64.4 | Low | 216 Ų | 216 | 111.7 Ų | 111.7 | 82% | 0.815 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.6 | -38 | 178.4 | -154.9 | 170.1 | -178.7 | 159.6 | -1.6 | 113.7 | R5 L6 | R2-R5 PolarHBondContact O-N 3.47Å; R2-L6 WeakPolarHBondContact O-CG 3.47Å; R2-L6 PolarHBondContact O-N 3.33Å; R2-L6 VanDerWaalsContact O-N 3.17Å |
| 3 | G | 64.8 | Low | 64.2 | Low | 52 Ų | 52 | 113.4 Ų | 113.4 | 54% | 0.536 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65 | -36.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L6 A7 | G3-L6 PolarHBondContact O-N 3.49Å; G3-A7 WeakPolarHBondContact O-CB 3.47Å; G3-A7 PolarHBondContact O-N 2.93Å |
| 4 | M | 64.1 | Low | 64 | Low | 134 Ų | 134 | 110.9 Ų | 110.9 | 66% | 0.66 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.5 | -38.8 | 176.6 | -175.2 | 66.8 | 82.5 | 0 | 0 | 111.9 | A7 L8 | M4-A7 PolarHBondContact O-N 3.45Å; M4-L8 HydrophobicContact CG-CD1 4.17Å; M4-L8 WeakPolarHBondContact O-CD1 3.43Å; M4-L8 WeakPolarHBondContact O-CG 3.49Å; M4-L8 PolarHBondContact O-N 3.17Å |
| 5 | R | 62.8 | Low | 63.6 | Low | 130 Ų | 130 | 109.6 Ų | 109.6 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.9 | -40.5 | 176.4 | -68.9 | -177.6 | 175.6 | -173 | -5.2 | 112.1 | R2 L8 L9 L123 | R2-R5 PolarHBondContact O-N 3.47Å; R5-L8 PolarHBondContact O-N 3Å; R5-L9 WeakPolarHBondContact O-CB 3.42Å; R5-L9 WeakPolarHBondContact O-CG 3.49Å; R5-L9 PolarHBondContact O-N 2.94Å; R5-L123 HydrophobicContact CG-CD1 4.09Å |
| 6 | L | 69.9 | Low | 63.2 | Low | 112 Ų | 112 | 107.2 Ų | 107.2 | 59% | 0.586 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.1 | -38.7 | 175.7 | -69.5 | 167.5 | 0 | 0 | 0 | 111.6 | R2 G3 L9 A10 | R2-L6 WeakPolarHBondContact O-CG 3.47Å; R2-L6 PolarHBondContact O-N 3.33Å; R2-L6 VanDerWaalsContact O-N 3.17Å; G3-L6 PolarHBondContact O-N 3.49Å; L6-L9 PolarHBondContact O-N 3.38Å; L6-A10 WeakPolarHBondContact O-CB 3.42Å; L6-A10 PolarHBondContact O-N 3.25Å |
| 7 | A | 68.9 | Low | 62.7 | Low | 45 Ų | 45 | 103.8 Ų | 103.8 | 37% | 0.372 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.4 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G3 M4 A10 L11 | G3-A7 WeakPolarHBondContact O-CB 3.47Å; G3-A7 PolarHBondContact O-N 2.93Å; M4-A7 PolarHBondContact O-N 3.45Å; A7-A10 PolarHBondContact O-N 3.38Å; A7-L11 VanDerWaalsContact O-CD1 3.22Å; A7-L11 WeakPolarHBondContact O-CD1 3.42Å; A7-L11 PolarHBondContact O-N 3.01Å |
| 8 | L | 65.6 | Low | 62.1 | Low | 95 Ų | 95 | 107.9 Ų | 107.9 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.3 | -43.8 | 175.7 | -82.9 | 156.4 | 0 | 0 | 0 | 112.5 | M4 R5 A10 L11 V12 | M4-L8 HydrophobicContact CG-CD1 4.17Å; M4-L8 WeakPolarHBondContact O-CD1 3.43Å; M4-L8 WeakPolarHBondContact O-CG 3.49Å; M4-L8 PolarHBondContact O-N 3.17Å; R5-L8 PolarHBondContact O-N 3Å; L8-A10 VanDerWaalsContact C-N 3.32Å; L8-A10 PolarHBondContact O-N 3.42Å; L8-L11 PolarHBondContact O-N 3.45Å; L8-V12 WeakPolarHBondContact O-CG2 3.22Å; L8-V12 PolarHBondContact O-N 3.07Å; L8-V12 VanDerWaalsContact O-N 3.07Å |
| 9 | L | 65.3 | Low | 61.7 | Low | 110 Ų | 110 | 110.8 Ų | 110.8 | 58% | 0.576 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.4 | -40.8 | 175.6 | -76.1 | 163.3 | 0 | 0 | 0 | 111.7 | R5 L6 V12 L13 | R5-L9 WeakPolarHBondContact O-CB 3.42Å; R5-L9 WeakPolarHBondContact O-CG 3.49Å; R5-L9 PolarHBondContact O-N 2.94Å; L6-L9 PolarHBondContact O-N 3.38Å; L9-V12 PolarHBondContact O-N 3.46Å; L9-L13 WeakPolarHBondContact O-CG 3.34Å; L9-L13 PolarHBondContact O-N 2.97Å; L9-L13 VanDerWaalsContact O-N 3.15Å |
| 10 | A | 65.5 | Low | 61.7 | Low | 57 Ų | 57 | 109.1 Ų | 109.1 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.9 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L6 A7 L8 L13 A14 | L6-A10 WeakPolarHBondContact O-CB 3.42Å; L6-A10 PolarHBondContact O-N 3.25Å; A7-A10 PolarHBondContact O-N 3.38Å; L8-A10 VanDerWaalsContact C-N 3.32Å; L8-A10 PolarHBondContact O-N 3.42Å; A10-L13 PolarHBondContact O-N 3.48Å; A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3.46Å |
| 11 | L | 63.6 | Low | 61.9 | Low | 126 Ų | 126 | 108.9 Ų | 108.9 | 66% | 0.66 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.6 | -39.9 | 176 | -97.7 | 107.3 | 0 | 0 | 0 | 112.7 | A7 L8 A14 A15 | A7-L11 VanDerWaalsContact O-CD1 3.22Å; A7-L11 WeakPolarHBondContact O-CD1 3.42Å; A7-L11 PolarHBondContact O-N 3.01Å; L8-L11 PolarHBondContact O-N 3.45Å; L11-A14 PolarHBondContact O-N 3.26Å; L11-A15 WeakPolarHBondContact O-CB 3.39Å; L11-A15 PolarHBondContact O-N 2.96Å |
| 12 | V | 64.5 | Low | 63.1 | Low | 98 Ų | 98 | 103.4 Ų | 103.4 | 59% | 0.594 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.2 | -41.6 | 177.5 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | L8 L9 A14 A15 C16 | L8-V12 WeakPolarHBondContact O-CG2 3.22Å; L8-V12 PolarHBondContact O-N 3.07Å; L8-V12 VanDerWaalsContact O-N 3.07Å; L9-V12 PolarHBondContact O-N 3.46Å; V12-A14 VanDerWaalsContact C-N 3.35Å; V12-A15 PolarHBondContact O-N 3.3Å; V12-C16 PolarHBondContact O-N 3.15Å |
| 13 | L | 62.4 | Low | 64.6 | Low | 134 Ų | 134 | 94 Ų | 94 | 70% | 0.702 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.3 | -37 | 175.6 | -72.4 | 164.5 | 0 | 0 | 0 | 112.2 | L9 A10 C16 | L9-L13 WeakPolarHBondContact O-CG 3.34Å; L9-L13 PolarHBondContact O-N 2.97Å; L9-L13 VanDerWaalsContact O-N 3.15Å; A10-L13 PolarHBondContact O-N 3.48Å; L13-C16 PolarHBondContact O-N 3.28Å |
| 14 | A | 61.2 | Low | 66.1 | Low | 78 Ų | 78 | 94.3 Ų | 94.3 | 65% | 0.645 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.7 | -35 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A10 L11 V12 C16 G17 | A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3.46Å; L11-A14 PolarHBondContact O-N 3.26Å; V12-A14 VanDerWaalsContact C-N 3.35Å; A14-C16 PolarHBondContact O-N 3.39Å; A14-G17 PolarHBondContact O-N 3.37Å |
| 15 | A | 58.3 | Low | 67.6 | Low | 92 Ų | 92 | 88 Ų | 88 | 76% | 0.76 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.1 | -15.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L11 V12 G17 | L11-A15 WeakPolarHBondContact O-CB 3.39Å; L11-A15 PolarHBondContact O-N 2.96Å; V12-A15 PolarHBondContact O-N 3.3Å; A15-G17 VanDerWaalsContact C-N 3.35Å |
| 16 | C | 57 | Low | 69.2 | Low | 71 Ų | 71 | 84.3 Ų | 84.3 | 48% | 0.48 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 6.4 | 174 | -157.8 | 0 | 0 | 0 | 0 | 112.8 | V12 L13 A14 E18 | V12-C16 PolarHBondContact O-N 3.15Å; L13-C16 PolarHBondContact O-N 3.28Å; A14-C16 PolarHBondContact O-N 3.39Å; C16-E18 PolarHBondContact O-N 3Å |
| 17 | G | 54 | Low | 70.4 | Confident | 50 Ų | 50 | 80.4 Ų | 80.4 | 52% | 0.515 | 50% | 0.497 | S | S | . | . | trans | -65.2 | 100.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | A14 A15 L19 | A14-G17 PolarHBondContact O-N 3.37Å; A15-G17 VanDerWaalsContact C-N 3.35Å; G17-L19 PolarHBondContact O-N 3.46Å | ||
| 18 | E | 53.2 | Low | 71.7 | Confident | 178 Ų | 178 | 79 Ų | 79 | 83% | 0.832 | 49% | 0.485 | S | S | * | . | trans | -57.2 | 98 | 178.2 | -82.4 | 142.9 | 109.3 | 0 | 0 | 110.4 | C16 A20 | C16-E18 PolarHBondContact O-N 3Å; E18-A20 VanDerWaalsContact C-N 3.3Å; E18-A20 PolarHBondContact O-N 3.37Å; E18-A20 VanDerWaalsContact O-N 3.08Å | ||
| 19 | L | 54.4 | Low | 73 | Confident | 163 Ų | 163 | 82.2 Ų | 82.2 | 85% | 0.853 | 50% | 0.502 | S | S | * | . | trans | -61.6 | 106.2 | 145.2 | -82.3 | 89.1 | 0 | 0 | 0 | 104.3 | G17 P21 | G17-L19 PolarHBondContact O-N 3.46Å; L19-P21 WeakPolarHBondContact O-CD 3.47Å | ||
| 20 | A | 60.5 | Low | 74.3 | Confident | 76 Ų | 76 | 84.4 Ų | 84.4 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | trans | -57.4 | 107.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | E18 A22 | E18-A20 VanDerWaalsContact C-N 3.3Å; E18-A20 PolarHBondContact O-N 3.37Å; E18-A20 VanDerWaalsContact O-N 3.08Å; A20-A22 PolarHBondContact O-N 3.48Å | ||
| 21 | P | 66.3 | Low | 75.5 | Confident | 104 Ų | 104 | 85.2 Ų | 85.2 | 68% | 0.675 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 138.6 | 176.8 | 27.3 | -31.5 | 0 | 0 | 0 | 107.4 | L19 L23 | L19-P21 WeakPolarHBondContact O-CD 3.47Å; P21-L23 PolarHBondContact O-N 2.99Å |
| 22 | A | 81.8 | Confident | 76.8 | Confident | 51 Ų | 51 | 81.2 Ų | 81.2 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 121.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | A20 H24 T42 | A20-A22 PolarHBondContact O-N 3.48Å; A22-H24 PolarHBondContact O-CE1 3Å; A22-H24 PolarHBondContact O-ND1 2.99Å; A22-H24 VanDerWaalsContact O-ND1 3.09Å; A22-T42 HydrophobicContact CB-CG2 3.58Å |
| 23 | L | 92.3 | Very high | 78 | Confident | 19 Ų | 19 | 77.7 Ų | 77.7 | 10% | 0.099 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 132.5 | -177 | 179.3 | 67.7 | 0 | 0 | 0 | 110.6 | P21 C43 T48 T96 E97 | P21-L23 PolarHBondContact O-N 2.99Å; L23-C43 HydrophobicContact CB-CB 4.28Å; L23-C43 VanDerWaalsContact O-CB 3.24Å; L23-C43 WeakPolarHBondContact O-CB 3.38Å; L23-C43 PolarHBondContact O-N 3.13Å; L23-C43 PolarHBondContact O-SG 3.3Å; L23-C43 VanDerWaalsContact O-SG 3.4Å; L23-T48 VanDerWaalsContact CD2-C 3.45Å; L23-T96 VanDerWaalsContact CD1-C 3.48Å; L23-E97 WeakPolarHBondContact CA-OE1 3.42Å |
| 24 | H | 95.4 | Very high | 79.1 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 27% | 0.269 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 139.1 | 168.6 | -58.1 | 76.9 | 0 | 0 | 0 | 111.4 | A22 I40 A41 T42 E97 L98 | A22-H24 PolarHBondContact O-CE1 3Å; A22-H24 PolarHBondContact O-ND1 2.99Å; A22-H24 VanDerWaalsContact O-ND1 3.09Å; H24-I40 HydrophobicContact CB-CG2 4.16Å; H24-A41 WeakPolarHBondContact CA-O 3.24Å; H24-T42 PolarHBondContact CD2-OG1 2.79Å; H24-T42 PolarHBondContact NE2-OG1 3.4Å; H24-E97 VanDerWaalsContact CB-OE2 3.29Å; H24-E97 WeakPolarHBondContact CB-OE2 3.48Å; H24-E97 IonicContact CG-OE2 3.41Å; H24-E97 PolarHBondContact N-OE1 2.94Å; H24-E97 PolarHBondContact N-OE2 2.81Å; H24-E97 VanDerWaalsContact N-OE2 3.08Å; H24-E97 IonicContact ND1-OE2 2.83Å; H24-E97 PolarHBondContact ND1-OE2 3.46Å; H24-L98 HydrophobicContact CB-CD2 3.86Å; H24-L98 HydrophobicContact CB-CG 4.4Å; H24-L98 PolarHBondContact O-N 2.98Å |
| 25 | C | 96.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 157.4 | 175.8 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | A41 C43 C50 | C25-A41 PolarHBondContact N-O 2.9Å; C25-A41 PolarHBondContact O-N 3.09Å; C25-C43 PolarHBondContact SG-SG 3.24Å; C25-C50 HydrophobicContact CB-CB 3.8Å; C25-C50 WeakPolarHBondContact CB-SG 3.38Å; C25-C50 WeakPolarHBondContact SG-CA 3.45Å; C25-C50 WeakPolarHBondContact SG-CB 3.14Å; C25-C50 CovalentContact SG-SG 2.02Å; C25-C50 PolarHBondContact SG-SG 3.15Å |
| 26 | Y | 96 | Very high | 81.8 | Confident | 53 Ų | 53 | 74.4 Ų | 74.4 | 21% | 0.208 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 141.4 | 161.6 | -67.7 | -71.6 | 0 | 0 | 0 | 110.2 | N38 T39 I40 K71 L98 N100 V101 | Y26-N38 WeakPolarHBondContact CD1-O 3.17Å; Y26-T39 CarbonylContact C-O 3.43Å; Y26-T39 VanDerWaalsContact CA-O 3.24Å; Y26-T39 WeakPolarHBondContact CA-O 3.07Å; Y26-I40 HydrophobicContact CD1-CG1 3.92Å; Y26-I40 HydrophobicContact CE1-CD1 4.21Å; Y26-I40 HydrophobicContact CE1-CG1 3.65Å; Y26-K71 WeakPolarHBondContact O-CB 3.5Å; Y26-L98 HydrophobicContact CD2-CB 4.46Å; Y26-L98 HydrophobicContact CE2-CB 3.91Å; Y26-L98 HydrophobicContact CE2-CD2 4.37Å; Y26-N100 PolarHBondContact N-OD1 3.08Å; Y26-N100 PolarHBondContact O-ND2 2.97Å; Y26-V101 HydrophobicContact CE2-CB 4.06Å; Y26-V101 HydrophobicContact CE2-CG2 4.43Å |
| 27 | V | 95.9 | Very high | 83.5 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138 | -178 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | T39 A41 K71 | V27-T39 HydrophobicContact CG2-CG2 4Å; V27-T39 PolarHBondContact N-O 3.14Å; V27-T39 WeakPolarHBondContact O-CB 2.95Å; V27-A41 HydrophobicContact CB-CB 4.35Å; V27-A41 HydrophobicContact CG1-CB 3.77Å; V27-A41 HydrophobicContact CG2-CB 3.59Å; V27-K71 CarbonylContact C-O 3.58Å; V27-K71 VanDerWaalsContact CA-O 3.27Å; V27-K71 WeakPolarHBondContact CA-O 3.4Å |
| 28 | C | 96.3 | Very high | 85.3 | Confident | 17 Ų | 17 | 74 Ų | 74 | 12% | 0.115 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 118 | 167.3 | 49 | 0 | 0 | 0 | 0 | 107.6 | C37 V69 T70 K71 | C28-C37 HydrophobicContact CB-CB 3.9Å; C28-C37 WeakPolarHBondContact CB-SG 3.05Å; C28-C37 WeakPolarHBondContact SG-CB 3.24Å; C28-C37 CovalentContact SG-SG 2.02Å; C28-C37 PolarHBondContact SG-SG 2.8Å; C28-V69 PolarHBondContact SG-O 3.22Å; C28-T70 WeakPolarHBondContact O-CA 3.01Å; C28-T70 WeakPolarHBondContact O-CB 3.29Å; C28-K71 PolarHBondContact N-O 3.04Å; C28-K71 PolarHBondContact O-N 3.04Å; C28-K71 VanDerWaalsContact O-N 3.13Å; C28-K71 PolarHBondContact SG-N 2.83Å; C28-K71 VanDerWaalsContact SG-N 3.39Å |
| 29 | L | 92.4 | Very high | 87.3 | Confident | 162 Ų | 162 | 69.6 Ų | 69.6 | 85% | 0.848 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -30.6 | -175.4 | -61.7 | 178.5 | 0 | 0 | 0 | 112.2 | ||
| 30 | E | 93.5 | Very high | 89.3 | Confident | 155 Ų | 155 | 66.3 Ų | 66.3 | 72% | 0.724 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 148.7 | 175.4 | -64.4 | -179.7 | 132.2 | 0 | 0 | 109.9 | T32 | E30-T32 PolarHBondContact O-N 3.08Å; E30-T32 PolarHBondContact O-OG1 3Å; E30-T32 VanDerWaalsContact O-OG1 3.12Å |
| 31 | P | 91.2 | Very high | 91 | Very high | 74 Ų | 74 | 64.1 Ų | 64.1 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 107.8 | 175.8 | -21.6 | 33.1 | 0 | 0 | 0 | 110.6 | Y55 T70 | P31-Y55 HydrophobicContact CG-CE1 4.46Å; P31-T70 HydrophobicContact CG-CG2 4.21Å |
| 32 | T | 90.8 | Very high | 92.4 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 26% | 0.264 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 152.7 | -174.5 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | E30 V34 D36 C37 T68 V69 | E30-T32 PolarHBondContact O-N 3.08Å; E30-T32 PolarHBondContact O-OG1 3Å; E30-T32 VanDerWaalsContact O-OG1 3.12Å; T32-V34 PolarHBondContact O-N 3.22Å; T32-D36 HydrophobicContact CG2-CB 3.5Å; T32-C37 HydrophobicContact CG2-CB 4.39Å; T32-T68 CarbonylContact O-C 3.58Å; T32-T68 WeakPolarHBondContact O-CA 3.35Å; T32-T68 WeakPolarHBondContact O-CB 3.38Å; T32-V69 PolarHBondContact N-O 3.5Å; T32-V69 PolarHBondContact O-N 3.4Å |
| 33 | G | 88.4 | Confident | 93.1 | Very high | 23 Ų | 23 | 61.3 Ų | 61.3 | 24% | 0.237 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 142.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S35 D36 C37 | G33-S35 VanDerWaalsContact C-N 3.26Å; G33-S35 PolarHBondContact O-N 3.35Å; G33-D36 PolarHBondContact O-N 2.85Å; G33-C37 PolarHBondContact O-N 3.43Å; G33-C37 VanDerWaalsContact O-N 3.16Å |
| 34 | V | 86.1 | Confident | 93.2 | Very high | 42 Ų | 42 | 64.3 Ų | 64.3 | 26% | 0.255 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -50.1 | -48.7 | -177 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | T32 D36 C37 S67 V69 D102 | T32-V34 PolarHBondContact O-N 3.22Å; V34-D36 PolarHBondContact O-N 2.93Å; V34-C37 PolarHBondContact O-N 3.25Å; V34-S67 WeakPolarHBondContact CG2-O 3.37Å; V34-V69 HydrophobicContact CG2-CG1 3.87Å; V34-D102 HydrophobicContact CG1-CB 3.82Å; V34-D102 WeakPolarHBondContact CG1-OD1 3.17Å; V34-D102 VanDerWaalsContact CG1-OD2 3.29Å; V34-D102 WeakPolarHBondContact CG1-OD2 3.44Å |
| 35 | S | 85.8 | Confident | 92.9 | Very high | 92 Ų | 92 | 69.3 Ų | 69.3 | 64% | 0.643 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -65.4 | -23.8 | 178.1 | 53.1 | 0 | 0 | 0 | 0 | 114.9 | G33 | G33-S35 VanDerWaalsContact C-N 3.26Å; G33-S35 PolarHBondContact O-N 3.35Å |
| 36 | D | 90.3 | Very high | 92.7 | Very high | 102 Ų | 102 | 75.7 Ų | 75.7 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -94.7 | -14.6 | -170.8 | -56.1 | -19.3 | 0 | 0 | 0 | 111.4 | T32 G33 V34 N38 | T32-D36 HydrophobicContact CG2-CB 3.5Å; G33-D36 PolarHBondContact O-N 2.85Å; V34-D36 PolarHBondContact O-N 2.93Å; D36-N38 VanDerWaalsContact C-N 3.32Å; D36-N38 PolarHBondContact O-N 3.18Å; D36-N38 VanDerWaalsContact O-N 3.07Å |
| 37 | C | 92.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 75.7 Ų | 75.7 | 4% | 0.041 | 43% | 0.43 | C | S | . | . | trans | -84.8 | 71.3 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | C28 T32 G33 V34 V69 K71 | C28-C37 HydrophobicContact CB-CB 3.9Å; C28-C37 WeakPolarHBondContact CB-SG 3.05Å; C28-C37 WeakPolarHBondContact SG-CB 3.24Å; C28-C37 CovalentContact SG-SG 2.02Å; C28-C37 PolarHBondContact SG-SG 2.8Å; T32-C37 HydrophobicContact CG2-CB 4.39Å; G33-C37 PolarHBondContact O-N 3.43Å; G33-C37 VanDerWaalsContact O-N 3.16Å; V34-C37 PolarHBondContact O-N 3.25Å; C37-V69 HydrophobicContact CB-CG2 3.73Å; C37-K71 HydrophobicContact CB-CD 4.4Å; C37-K71 WeakPolarHBondContact SG-CD 3.45Å; C37-K71 VanDerWaalsContact SG-CG 3.52Å | ||
| 38 | N | 92.4 | Very high | 92.5 | Very high | 106 Ų | 106 | 78.2 Ų | 78.2 | 57% | 0.567 | 45% | 0.445 | S | S | * | . | trans | -117.6 | 9 | -174 | 64.4 | 8.7 | 0 | 0 | 0 | 114.4 | Y26 D36 I40 | Y26-N38 WeakPolarHBondContact CD1-O 3.17Å; D36-N38 VanDerWaalsContact C-N 3.32Å; D36-N38 PolarHBondContact O-N 3.18Å; D36-N38 VanDerWaalsContact O-N 3.07Å; N38-I40 PolarHBondContact O-N 3.2Å | ||
| 39 | T | 95.7 | Very high | 92.4 | Very high | 85 Ų | 85 | 79.7 Ų | 79.7 | 52% | 0.521 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 123.6 | 177.5 | -55.2 | 0 | 0 | 0 | 0 | 110.1 | Y26 V27 | Y26-T39 CarbonylContact C-O 3.43Å; Y26-T39 VanDerWaalsContact CA-O 3.24Å; Y26-T39 WeakPolarHBondContact CA-O 3.07Å; V27-T39 HydrophobicContact CG2-CG2 4Å; V27-T39 PolarHBondContact N-O 3.14Å; V27-T39 WeakPolarHBondContact O-CB 2.95Å |
| 40 | I | 96.2 | Very high | 92.6 | Very high | 94 Ų | 94 | 72 Ų | 72 | 48% | 0.482 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 135 | 175.6 | -62.3 | 172.3 | 0 | 0 | 0 | 109.3 | H24 Y26 N38 L98 | H24-I40 HydrophobicContact CB-CG2 4.16Å; Y26-I40 HydrophobicContact CD1-CG1 3.92Å; Y26-I40 HydrophobicContact CE1-CD1 4.21Å; Y26-I40 HydrophobicContact CE1-CG1 3.65Å; N38-I40 PolarHBondContact O-N 3.2Å; I40-L98 HydrophobicContact CB-CD2 4.41Å; I40-L98 HydrophobicContact CD1-CD1 4.08Å; I40-L98 HydrophobicContact CD1-CD2 4.15Å; I40-L98 HydrophobicContact CG1-CD2 3.91Å; I40-L98 HydrophobicContact CG2-CD2 3.79Å |
| 41 | A | 95.8 | Very high | 92.7 | Very high | 31 Ų | 31 | 67.9 Ų | 67.9 | 26% | 0.256 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 144.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | H24 C25 V27 | H24-A41 WeakPolarHBondContact CA-O 3.24Å; C25-A41 PolarHBondContact N-O 2.9Å; C25-A41 PolarHBondContact O-N 3.09Å; V27-A41 HydrophobicContact CB-CB 4.35Å; V27-A41 HydrophobicContact CG1-CB 3.77Å; V27-A41 HydrophobicContact CG2-CB 3.59Å |
| 42 | T | 96.3 | Very high | 92.8 | Very high | 88 Ų | 88 | 65 Ų | 65 | 54% | 0.54 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.4 | 167.8 | -50.4 | 0 | 0 | 0 | 0 | 108.7 | A22 H24 | A22-T42 HydrophobicContact CB-CG2 3.58Å; H24-T42 PolarHBondContact CD2-OG1 2.79Å; H24-T42 PolarHBondContact NE2-OG1 3.4Å |
| 43 | C | 95.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 63.8 Ų | 63.8 | 5% | 0.047 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -72 | 155.1 | 177.3 | -59 | 0 | 0 | 0 | 0 | 111.5 | L23 C25 E47 C73 | L23-C43 HydrophobicContact CB-CB 4.28Å; L23-C43 VanDerWaalsContact O-CB 3.24Å; L23-C43 WeakPolarHBondContact O-CB 3.38Å; L23-C43 PolarHBondContact O-N 3.13Å; L23-C43 PolarHBondContact O-SG 3.3Å; L23-C43 VanDerWaalsContact O-SG 3.4Å; C25-C43 PolarHBondContact SG-SG 3.24Å; C43-E47 HydrophobicContact CB-CB 3.89Å; C43-C73 WeakPolarHBondContact CA-SG 3.35Å; C43-C73 HydrophobicContact CB-CB 3.69Å; C43-C73 WeakPolarHBondContact CB-SG 3.19Å; C43-C73 WeakPolarHBondContact SG-CB 3.41Å; C43-C73 CovalentContact SG-SG 2.04Å; C43-C73 PolarHBondContact SG-SG 3.31Å |
| 44 | T | 93.9 | Very high | 92.9 | Very high | 83 Ų | 83 | 64.6 Ų | 64.6 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 161.9 | 173.9 | 64.6 | 0 | 0 | 0 | 0 | 111.1 | N46 E47 | T44-N46 PolarHBondContact O-N 3.39Å; T44-E47 WeakPolarHBondContact CB-OE2 3.27Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.29Å; T44-E47 PolarHBondContact N-OE2 3.25Å; T44-E47 PolarHBondContact O-N 3.37Å; T44-E47 VanDerWaalsContact OG1-CG 3.25Å; T44-E47 WeakPolarHBondContact OG1-CG 3.24Å; T44-E47 PolarHBondContact OG1-OE2 3.03Å |
| 45 | M | 88.6 | Confident | 92.8 | Very high | 163 Ų | 163 | 65.2 Ų | 65.2 | 80% | 0.803 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.5 | 178.1 | -77.7 | -139 | 64.3 | 0 | 0 | 114.6 | ||
| 46 | N | 92.1 | Very high | 92.4 | Very high | 133 Ų | 133 | 61.5 Ų | 61.5 | 71% | 0.711 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -13.3 | 178.6 | -66.8 | -16.4 | 0 | 0 | 0 | 112.5 | T44 S75 | T44-N46 PolarHBondContact O-N 3.39Å; N46-S75 VanDerWaalsContact O-CA 3.26Å; N46-S75 WeakPolarHBondContact O-CA 3.4Å; N46-S75 WeakPolarHBondContact O-CB 3.44Å |
| 47 | E | 94.6 | Very high | 91.4 | Very high | 54 Ų | 54 | 68.3 Ų | 68.3 | 25% | 0.252 | 35% | 0.353 | S | S | . | . | trans | -97.8 | 99 | -179.2 | -71.7 | 168.5 | 140.6 | 0 | 0 | 110.1 | C43 T44 C73 A74 | C43-E47 HydrophobicContact CB-CB 3.89Å; T44-E47 WeakPolarHBondContact CB-OE2 3.27Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.29Å; T44-E47 PolarHBondContact N-OE2 3.25Å; T44-E47 PolarHBondContact O-N 3.37Å; T44-E47 VanDerWaalsContact OG1-CG 3.25Å; T44-E47 WeakPolarHBondContact OG1-CG 3.24Å; T44-E47 PolarHBondContact OG1-OE2 3.03Å; E47-C73 HydrophobicContact CB-CB 3.93Å; E47-C73 VanDerWaalsContact CD-CB 3.45Å; E47-C73 HydrophobicContact CG-CB 4.12Å; E47-C73 WeakPolarHBondContact OE2-CB 3.09Å; E47-A74 CarbonylContact C-O 3.55Å; E47-A74 WeakPolarHBondContact CA-O 3.3Å | ||
| 48 | T | 93.6 | Very high | 90.1 | Very high | 83 Ų | 83 | 72.5 Ų | 72.5 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | trans | -102.6 | 5.1 | -174 | 57 | 0 | 0 | 0 | 0 | 113.1 | L23 A74 N95 | L23-T48 VanDerWaalsContact CD2-C 3.45Å; T48-A74 PolarHBondContact N-O 3.06Å; T48-N95 WeakPolarHBondContact O-CB 3.46Å | ||
| 49 | M | 95.3 | Very high | 88.7 | Confident | 47 Ų | 47 | 73.2 Ų | 73.2 | 23% | 0.232 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 144 | -176.5 | -51.3 | -176.7 | 85.2 | 0 | 0 | 111.3 | C73 A74 C77 C93 C94 | M49-C73 CarbonylContact O-C 3.45Å; M49-A74 PolarHBondContact N-O 2.75Å; M49-A74 PolarHBondContact O-N 2.04Å; M49-C77 HydrophobicContact CB-CB 4.23Å; M49-C77 HydrophobicContact CE-CB 4.15Å; M49-C77 HydrophobicContact SD-CB 3.81Å; M49-C93 HydrophobicContact CE-CB 4.11Å; M49-C94 CarbonylContact C-O 3.47Å; M49-C94 VanDerWaalsContact CA-O 3.27Å; M49-C94 WeakPolarHBondContact CA-O 3.42Å |
| 50 | C | 95.9 | Very high | 87 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 134 | 161.9 | -50.2 | 0 | 0 | 0 | 0 | 109.3 | C25 C93 C94 N100 | C25-C50 HydrophobicContact CB-CB 3.8Å; C25-C50 WeakPolarHBondContact CB-SG 3.38Å; C25-C50 WeakPolarHBondContact SG-CA 3.45Å; C25-C50 WeakPolarHBondContact SG-CB 3.14Å; C25-C50 CovalentContact SG-SG 2.02Å; C25-C50 PolarHBondContact SG-SG 3.15Å; C50-C93 WeakPolarHBondContact O-CA 3.38Å; C50-C94 PolarHBondContact N-O 2.91Å; C50-C94 PolarHBondContact O-N 3.39Å; C50-N100 HydrophobicContact CB-CB 3.71Å |
| 51 | K | 95.4 | Very high | 85.1 | Confident | 69 Ų | 69 | 78.6 Ų | 78.6 | 30% | 0.3 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138 | 175.7 | 178.7 | 176 | 178.1 | -178.8 | 0 | 109.8 | K71 S72 A74 V91 | K51-K71 VanDerWaalsContact O-CA 3.32Å; K51-K71 WeakPolarHBondContact O-CA 3.32Å; K51-S72 PolarHBondContact N-O 2.71Å; K51-S72 PolarHBondContact O-N 3.09Å; K51-A74 HydrophobicContact CB-CB 4.17Å; K51-V91 HydrophobicContact CD-CG1 4.36Å; K51-V91 HydrophobicContact CG-CG1 4.04Å |
| 52 | T | 93.4 | Very high | 83.4 | Confident | 13 Ų | 13 | 81.5 Ų | 81.5 | 8% | 0.08 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.1 | 167.4 | -54.2 | 0 | 0 | 0 | 0 | 109.1 | V69 T70 K71 V91 S92 N100 | T52-V69 HydrophobicContact CG2-CB 4.32Å; T52-V69 HydrophobicContact CG2-CG1 4.18Å; T52-T70 CarbonylContact C-O 3.57Å; T52-T70 WeakPolarHBondContact CA-O 3Å; T52-K71 HydrophobicContact CG2-CG 4.03Å; T52-V91 CarbonylContact O-C 3.56Å; T52-V91 VanDerWaalsContact O-CA 3.3Å; T52-V91 WeakPolarHBondContact O-CA 3.04Å; T52-S92 WeakPolarHBondContact CB-OG 3.48Å; T52-S92 PolarHBondContact N-O 3.46Å; T52-S92 PolarHBondContact O-N 2.02Å; T52-N100 WeakPolarHBondContact OG1-CB 3.05Å |
| 53 | T | 91.6 | Very high | 81.8 | Confident | 18 Ų | 18 | 79.6 Ų | 79.6 | 11% | 0.11 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.1 | 169 | -47.7 | 0 | 0 | 0 | 0 | 107.8 | Y55 V69 T70 R89 V91 | T53-Y55 HydrophobicContact CG2-CD2 4.49Å; T53-Y55 HydrophobicContact CG2-CE2 3.87Å; T53-Y55 WeakPolarHBondContact O-CD2 3.08Å; T53-Y55 WeakPolarHBondContact O-CE2 3.41Å; T53-V69 CarbonylContact O-C 3.58Å; T53-V69 VanDerWaalsContact O-CA 3.27Å; T53-V69 WeakPolarHBondContact O-CA 3.15Å; T53-T70 WeakPolarHBondContact CB-OG1 3.04Å; T53-T70 PolarHBondContact N-O 2.84Å; T53-T70 PolarHBondContact O-N 2.02Å; T53-R89 HydrophobicContact CG2-CB 4.31Å; T53-V91 HydrophobicContact CG2-CG2 4.28Å |
| 54 | L | 88.6 | Confident | 80.2 | Confident | 41 Ų | 41 | 88.1 Ų | 88.1 | 22% | 0.215 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 147.3 | 172.8 | -169.1 | 69.7 | 0 | 0 | 0 | 109.4 | F63 V69 R89 P90 | L54-F63 HydrophobicContact CD2-CD2 3.96Å; L54-F63 HydrophobicContact CD2-CE2 3.96Å; L54-V69 HydrophobicContact CD1-CG1 3.57Å; L54-R89 WeakPolarHBondContact O-CA 3.04Å; L54-P90 HydrophobicContact CB-CG 3.91Å; L54-P90 HydrophobicContact CD2-CG 4.05Å; L54-P90 PolarHBondContact N-O 2.9Å |
| 55 | Y | 85.8 | Confident | 78.7 | Confident | 54 Ų | 54 | 86 Ų | 86 | 21% | 0.212 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 101 | 174.3 | -65.7 | -108.3 | 0 | 0 | 0 | 107.8 | P31 T53 T68 T70 R89 | P31-Y55 HydrophobicContact CG-CE1 4.46Å; T53-Y55 HydrophobicContact CG2-CD2 4.49Å; T53-Y55 HydrophobicContact CG2-CE2 3.87Å; T53-Y55 WeakPolarHBondContact O-CD2 3.08Å; T53-Y55 WeakPolarHBondContact O-CE2 3.41Å; Y55-T68 WeakPolarHBondContact CB-OG1 3.11Å; Y55-T68 PolarHBondContact N-O 2.75Å; Y55-T68 PolarHBondContact O-N 2.92Å; Y55-T70 HydrophobicContact CE2-CG2 3.66Å; Y55-T70 WeakPolarHBondContact CE2-OG1 3.27Å; Y55-T70 PolarHBondContact OH-OG1 2.91Å; Y55-R89 HydrophobicContact CD1-CG 4.4Å; Y55-R89 VanDerWaalsContact CE1-NH1 3.34Å |
| 56 | S | 76.3 | Confident | 77.6 | Confident | 15 Ų | 15 | 85.9 Ų | 85.9 | 11% | 0.105 | 43% | 0.428 | C | S | . | . | trans | -91.5 | 136.1 | 176.6 | -57.4 | 0 | 0 | 0 | 0 | 109.8 | E58 F63 T88 | S56-E58 VanDerWaalsContact C-N 3.28Å; S56-E58 WeakPolarHBondContact CB-O 3.04Å; S56-F63 VanDerWaalsContact CB-CE1 3.41Å; S56-F63 WeakPolarHBondContact OG-CD1 3.25Å; S56-F63 WeakPolarHBondContact OG-CD2 3.42Å; S56-F63 WeakPolarHBondContact OG-CE1 3.01Å; S56-F63 WeakPolarHBondContact OG-CE2 3.04Å; S56-F63 WeakPolarHBondContact OG-CG 3.49Å; S56-F63 WeakPolarHBondContact OG-CZ 3.01Å; S56-T88 PolarHBondContact N-O 3.29Å; S56-T88 VanDerWaalsContact N-O 3.07Å | ||
| 57 | R | 69.1 | Low | 76.8 | Confident | 245 Ų | 245 | 80.6 Ų | 80.6 | 93% | 0.925 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -74.9 | -22.2 | 169.2 | -74.5 | -170.3 | -179.2 | -98.1 | 1.7 | 112.7 | ||
| 58 | E | 65.8 | Low | 76.6 | Confident | 94 Ų | 94 | 80.2 Ų | 80.2 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | trans | -106.3 | 152.8 | -176 | -64.3 | 174.6 | -174.7 | 0 | 0 | 110.9 | S56 F63 | S56-E58 VanDerWaalsContact C-N 3.28Å; S56-E58 WeakPolarHBondContact CB-O 3.04Å; E58-F63 HydrophobicContact CB-CD1 4.44Å; E58-F63 VanDerWaalsContact O-CE1 3.26Å; E58-F63 WeakPolarHBondContact O-CE1 3.26Å | ||
| 59 | I | 62.2 | Low | 76.5 | Confident | 121 Ų | 121 | 76.4 Ų | 76.4 | 62% | 0.621 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -95.5 | 6.9 | 176.7 | 51.8 | 171 | 0 | 0 | 0 | 112.6 | T88 | I59-T88 HydrophobicContact CG2-CG2 3.7Š|
| 60 | V | 60.4 | Low | 76.4 | Confident | 96 Ų | 96 | 75.1 Ų | 75.1 | 58% | 0.582 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -113 | 134.9 | -172.7 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | F63 | V60-F63 WeakPolarHBondContact O-CD1 3.4Å; V60-F63 VanDerWaalsContact O-CE1 3.32Å; V60-F63 WeakPolarHBondContact O-CE1 3.44Å |
| 61 | Y | 56.9 | Low | 76.4 | Confident | 195 Ų | 195 | 75.3 Ų | 75.3 | 77% | 0.765 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -106.2 | 142.7 | 177.3 | -170.6 | -86.9 | 0 | 0 | 0 | 111.2 | F63 | Y61-F63 HydrophobicContact CD2-CD2 4.33Å; Y61-F63 AromaticContact CD2-CE2 3.99Å; Y61-F63 HydrophobicContact CD2-CE2 3.99Å; Y61-F63 HydrophobicContact CD2-CZ 4.4Å |
| 62 | P | 59.9 | Low | 76.5 | Confident | 92 Ų | 92 | 74 Ų | 74 | 60% | 0.597 | 38% | 0.375 | S | S | * | . | S | Bend | cis | -74.3 | 146 | -6.9 | 30.9 | -33.8 | 0 | 0 | 0 | 111.8 | Q64 | P62-Q64 PolarHBondContact O-N 2.02Š|
| 63 | F | 62.7 | Low | 76.6 | Confident | 49 Ų | 49 | 74.2 Ų | 74.2 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | trans | -68.6 | 128.9 | 179.7 | -52.2 | -64.9 | 0 | 0 | 0 | 110.1 | L54 S56 E58 V60 Y61 | L54-F63 HydrophobicContact CD2-CD2 3.96Å; L54-F63 HydrophobicContact CD2-CE2 3.96Å; S56-F63 VanDerWaalsContact CB-CE1 3.41Å; S56-F63 WeakPolarHBondContact OG-CD1 3.25Å; S56-F63 WeakPolarHBondContact OG-CD2 3.42Å; S56-F63 WeakPolarHBondContact OG-CE1 3.01Å; S56-F63 WeakPolarHBondContact OG-CE2 3.04Å; S56-F63 WeakPolarHBondContact OG-CG 3.49Å; S56-F63 WeakPolarHBondContact OG-CZ 3.01Å; E58-F63 HydrophobicContact CB-CD1 4.44Å; E58-F63 VanDerWaalsContact O-CE1 3.26Å; E58-F63 WeakPolarHBondContact O-CE1 3.26Å; V60-F63 WeakPolarHBondContact O-CD1 3.4Å; V60-F63 VanDerWaalsContact O-CE1 3.32Å; V60-F63 WeakPolarHBondContact O-CE1 3.44Å; Y61-F63 HydrophobicContact CD2-CD2 4.33Å; Y61-F63 AromaticContact CD2-CE2 3.99Å; Y61-F63 HydrophobicContact CD2-CE2 3.99Å; Y61-F63 HydrophobicContact CD2-CZ 4.4Å | ||
| 64 | Q | 61.2 | Low | 76.9 | Confident | 185 Ų | 185 | 74 Ų | 74 | 86% | 0.864 | 38% | 0.377 | S | S | * | . | trans | -103.4 | 1.6 | 180 | -71.1 | -167.6 | 99.6 | 0 | 0 | 113.8 | P62 | P62-Q64 PolarHBondContact O-N 2.02Š| ||
| 65 | G | 63.4 | Low | 77.2 | Confident | 39 Ų | 39 | 76 Ų | 76 | 40% | 0.402 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -110.8 | 169.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | S67 | G65-S67 PolarHBondContact O-N 2.75Å; G65-S67 PolarHBondContact O-OG 3.37Å |
| 66 | D | 64.7 | Low | 77.6 | Confident | 161 Ų | 161 | 80.2 Ų | 80.2 | 86% | 0.861 | 41% | 0.414 | S | S | * | . | trans | -56.4 | 105.1 | 173.2 | -73.3 | -23.9 | 0 | 0 | 0 | 109.9 | ||||
| 67 | S | 75.9 | Confident | 78.4 | Confident | 21 Ų | 21 | 80.2 Ų | 80.2 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | trans | -91.1 | 138.6 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 108.7 | V34 G65 | V34-S67 WeakPolarHBondContact CG2-O 3.37Å; G65-S67 PolarHBondContact O-N 2.75Å; G65-S67 PolarHBondContact O-OG 3.37Å | ||
| 68 | T | 89.6 | Confident | 79.5 | Confident | 46 Ų | 46 | 74.8 Ų | 74.8 | 28% | 0.282 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 155.7 | 169.6 | 54.5 | 0 | 0 | 0 | 0 | 109.7 | T32 Y55 | T32-T68 CarbonylContact O-C 3.58Å; T32-T68 WeakPolarHBondContact O-CA 3.35Å; T32-T68 WeakPolarHBondContact O-CB 3.38Å; Y55-T68 WeakPolarHBondContact CB-OG1 3.11Å; Y55-T68 PolarHBondContact N-O 2.75Å; Y55-T68 PolarHBondContact O-N 2.92Å |
| 69 | V | 91.7 | Very high | 80.7 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.018 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.6 | 179.3 | -68.7 | 0 | 0 | 0 | 0 | 110.1 | C28 T32 V34 C37 T52 T53 L54 K71 | C28-V69 PolarHBondContact SG-O 3.22Å; T32-V69 PolarHBondContact N-O 3.5Å; T32-V69 PolarHBondContact O-N 3.4Å; V34-V69 HydrophobicContact CG2-CG1 3.87Å; C37-V69 HydrophobicContact CB-CG2 3.73Å; T52-V69 HydrophobicContact CG2-CB 4.32Å; T52-V69 HydrophobicContact CG2-CG1 4.18Å; T53-V69 CarbonylContact O-C 3.58Å; T53-V69 VanDerWaalsContact O-CA 3.27Å; T53-V69 WeakPolarHBondContact O-CA 3.15Å; L54-V69 HydrophobicContact CD1-CG1 3.57Å; V69-K71 HydrophobicContact CG2-CG 4.45Å |
| 70 | T | 94.7 | Very high | 81.8 | Confident | 20 Ų | 20 | 70 Ų | 70 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.1 | 154.8 | 57.7 | 0 | 0 | 0 | 0 | 108.2 | C28 P31 T52 T53 Y55 | C28-T70 WeakPolarHBondContact O-CA 3.01Å; C28-T70 WeakPolarHBondContact O-CB 3.29Å; P31-T70 HydrophobicContact CG-CG2 4.21Å; T52-T70 CarbonylContact C-O 3.57Å; T52-T70 WeakPolarHBondContact CA-O 3Å; T53-T70 WeakPolarHBondContact CB-OG1 3.04Å; T53-T70 PolarHBondContact N-O 2.84Å; T53-T70 PolarHBondContact O-N 2.02Å; Y55-T70 HydrophobicContact CE2-CG2 3.66Å; Y55-T70 WeakPolarHBondContact CE2-OG1 3.27Å; Y55-T70 PolarHBondContact OH-OG1 2.91Å |
| 71 | K | 95.7 | Very high | 82.8 | Confident | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.017 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 139.4 | 176.9 | -60.6 | -177 | -161.5 | -91.3 | 0 | 109 | Y26 V27 C28 C37 K51 T52 V69 N100 D102 | Y26-K71 WeakPolarHBondContact O-CB 3.5Å; V27-K71 CarbonylContact C-O 3.58Å; V27-K71 VanDerWaalsContact CA-O 3.27Å; V27-K71 WeakPolarHBondContact CA-O 3.4Å; C28-K71 PolarHBondContact N-O 3.04Å; C28-K71 PolarHBondContact O-N 3.04Å; C28-K71 VanDerWaalsContact O-N 3.13Å; C28-K71 PolarHBondContact SG-N 2.83Å; C28-K71 VanDerWaalsContact SG-N 3.39Å; C37-K71 HydrophobicContact CB-CD 4.4Å; C37-K71 WeakPolarHBondContact SG-CD 3.45Å; C37-K71 VanDerWaalsContact SG-CG 3.52Å; K51-K71 VanDerWaalsContact O-CA 3.32Å; K51-K71 WeakPolarHBondContact O-CA 3.32Å; T52-K71 HydrophobicContact CG2-CG 4.03Å; V69-K71 HydrophobicContact CG2-CG 4.45Å; K71-N100 PolarHBondContact NZ-O 2.75Å; K71-D102 IonicContact NZ-OD1 2.75Å; K71-D102 PolarHBondContact NZ-OD1 3.02Å |
| 72 | S | 96.6 | Very high | 83.4 | Confident | 42 Ų | 42 | 69.2 Ų | 69.2 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 159.7 | -179.6 | 74.5 | 0 | 0 | 0 | 0 | 112.1 | K51 | K51-S72 PolarHBondContact N-O 2.71Å; K51-S72 PolarHBondContact O-N 3.09Å |
| 73 | C | 96.9 | Very high | 83.8 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 12% | 0.122 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 153.3 | 157.8 | -61 | 0 | 0 | 0 | 0 | 109.7 | C43 E47 M49 | C43-C73 WeakPolarHBondContact CA-SG 3.35Å; C43-C73 HydrophobicContact CB-CB 3.69Å; C43-C73 WeakPolarHBondContact CB-SG 3.19Å; C43-C73 WeakPolarHBondContact SG-CB 3.41Å; C43-C73 CovalentContact SG-SG 2.04Å; C43-C73 PolarHBondContact SG-SG 3.31Å; E47-C73 HydrophobicContact CB-CB 3.93Å; E47-C73 VanDerWaalsContact CD-CB 3.45Å; E47-C73 HydrophobicContact CG-CB 4.12Å; E47-C73 WeakPolarHBondContact OE2-CB 3.09Å; M49-C73 CarbonylContact O-C 3.45Å |
| 74 | A | 96.1 | Very high | 84 | Confident | 13 Ų | 13 | 71 Ų | 71 | 11% | 0.107 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 142 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E47 T48 M49 K51 C77 | E47-A74 CarbonylContact C-O 3.55Å; E47-A74 WeakPolarHBondContact CA-O 3.3Å; T48-A74 PolarHBondContact N-O 3.06Å; M49-A74 PolarHBondContact N-O 2.75Å; M49-A74 PolarHBondContact O-N 2.04Å; K51-A74 HydrophobicContact CB-CB 4.17Å; A74-C77 HydrophobicContact CB-CB 4.47Å |
| 75 | S | 95.1 | Very high | 84.1 | Confident | 82 Ų | 82 | 70.4 Ų | 70.4 | 57% | 0.573 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -78.8 | -26.3 | 169.8 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | N46 | N46-S75 VanDerWaalsContact O-CA 3.26Å; N46-S75 WeakPolarHBondContact O-CA 3.4Å; N46-S75 WeakPolarHBondContact O-CB 3.44Å |
| 76 | K | 94.3 | Very high | 84 | Confident | 144 Ų | 144 | 70.3 Ų | 70.3 | 63% | 0.626 | 41% | 0.409 | S | S | * | . | trans | -141.4 | 132.9 | 175 | -173.5 | -177.7 | 178.3 | -162.9 | 0 | 109.2 | E78 | K76-E78 WeakPolarHBondContact CE-OE1 3.38Å; K76-E78 IonicContact NZ-OE1 2.66Å; K76-E78 PolarHBondContact NZ-OE1 2.9Å | ||
| 77 | C | 94.4 | Very high | 84.3 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 10% | 0.095 | 38% | 0.383 | C | S | . | . | trans | -136.7 | 122.6 | 176.7 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | M49 A74 C93 | M49-C77 HydrophobicContact CB-CB 4.23Å; M49-C77 HydrophobicContact CE-CB 4.15Å; M49-C77 HydrophobicContact SD-CB 3.81Å; A74-C77 HydrophobicContact CB-CB 4.47Å; C77-C93 HydrophobicContact CB-CB 3.62Å; C77-C93 WeakPolarHBondContact CB-SG 3.27Å; C77-C93 VanDerWaalsContact SG-CA 3.6Å; C77-C93 WeakPolarHBondContact SG-CB 3.4Å; C77-C93 CovalentContact SG-SG 2.02Å; C77-C93 PolarHBondContact SG-SG 2.92Å | ||
| 78 | E | 92.2 | Very high | 84 | Confident | 132 Ų | 132 | 67.7 Ų | 67.7 | 62% | 0.617 | 39% | 0.394 | S | S | * | . | trans | -105.3 | 115.2 | 174.5 | -72.2 | 178.7 | 176.8 | 0 | 0 | 108 | K76 V91 | K76-E78 WeakPolarHBondContact CE-OE1 3.38Å; K76-E78 IonicContact NZ-OE1 2.66Å; K76-E78 PolarHBondContact NZ-OE1 2.9Å; E78-V91 WeakPolarHBondContact O-CG1 3.46Å | ||
| 79 | P | 90.3 | Very high | 83.8 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 149.2 | 177.2 | 29.1 | -32.8 | 0 | 0 | 0 | 109.6 | V91 | P79-V91 WeakPolarHBondContact CA-O 3.19Š|
| 80 | S | 85.9 | Confident | 83.6 | Confident | 29 Ų | 29 | 74.1 Ų | 74.1 | 20% | 0.203 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 147 | 176.4 | -78.1 | 0 | 0 | 0 | 0 | 112.4 | V82 Q87 P90 V91 | S80-V82 PolarHBondContact O-N 3.05Å; S80-Q87 PolarHBondContact OG-OE1 2.91Å; S80-P90 WeakPolarHBondContact OG-CA 3.39Å; S80-V91 PolarHBondContact N-O 3.49Å; S80-V91 PolarHBondContact OG-N 3.24Å |
| 81 | D | 80.6 | Confident | 83.4 | Confident | 131 Ų | 131 | 74.5 Ų | 74.5 | 70% | 0.701 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 122.3 | 173.5 | -64 | -43.7 | 0 | 0 | 0 | 110.9 | D83 G84 | D81-D83 PolarHBondContact O-N 2.02Å; D81-G84 PolarHBondContact O-N 3.02Å |
| 82 | V | 68.8 | Low | 83.2 | Confident | 142 Ų | 142 | 77.4 Ų | 77.4 | 86% | 0.861 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.4 | -179.7 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | S80 | S80-V82 PolarHBondContact O-N 3.05Š|
| 83 | D | 69.4 | Low | 83 | Confident | 144 Ų | 144 | 77 Ų | 77 | 77% | 0.77 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 4.1 | 176.9 | -59.6 | -42.9 | 0 | 0 | 0 | 113 | D81 I85 | D81-D83 PolarHBondContact O-N 2.02Å; D83-I85 VanDerWaalsContact C-N 3.32Å; D83-I85 PolarHBondContact O-N 3.2Å |
| 84 | G | 67.2 | Low | 82.9 | Confident | 34 Ų | 34 | 77.2 Ų | 77.2 | 35% | 0.351 | 44% | 0.438 | S | S | . | . | trans | -70.2 | 81 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D81 G86 Q87 | D81-G84 PolarHBondContact O-N 3.02Å; G84-G86 PolarHBondContact O-N 2.8Å; G84-Q87 PolarHBondContact O-N 3.5Å | ||
| 85 | I | 61.6 | Low | 82.7 | Confident | 174 Ų | 174 | 81.4 Ų | 81.4 | 89% | 0.892 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 125.8 | 176.8 | -54.4 | -178.1 | 0 | 0 | 0 | 109.5 | D83 | D83-I85 VanDerWaalsContact C-N 3.32Å; D83-I85 PolarHBondContact O-N 3.2Å |
| 86 | G | 62.9 | Low | 82.5 | Confident | 36 Ų | 36 | 79.8 Ų | 79.8 | 37% | 0.371 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 17.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G84 T88 | G84-G86 PolarHBondContact O-N 2.8Å; G86-T88 PolarHBondContact O-N 3.07Å; G86-T88 VanDerWaalsContact O-N 3.15Å |
| 87 | Q | 69.7 | Low | 82.4 | Confident | 69 Ų | 69 | 77.1 Ų | 77.1 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | trans | -68.5 | 114.8 | 176.8 | -159.5 | -178.6 | 74.8 | 0 | 0 | 111.1 | S80 G84 R89 | S80-Q87 PolarHBondContact OG-OE1 2.91Å; G84-Q87 PolarHBondContact O-N 3.5Å; Q87-R89 VanDerWaalsContact C-N 3.27Å; Q87-R89 PolarHBondContact O-N 3.16Å | ||
| 88 | T | 71.4 | Confident | 82.3 | Confident | 59 Ų | 59 | 79 Ų | 79 | 36% | 0.362 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -78.3 | -13.1 | -177.8 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | S56 I59 G86 | S56-T88 PolarHBondContact N-O 3.29Å; S56-T88 VanDerWaalsContact N-O 3.07Å; I59-T88 HydrophobicContact CG2-CG2 3.7Å; G86-T88 PolarHBondContact O-N 3.07Å; G86-T88 VanDerWaalsContact O-N 3.15Å |
| 89 | R | 83.8 | Confident | 82.4 | Confident | 146 Ų | 146 | 73.4 Ų | 73.4 | 55% | 0.551 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -139.7 | 63.2 | -173.2 | -59.6 | -176.5 | -176.1 | -150.6 | -4.5 | 114.1 | T53 L54 Y55 Q87 | T53-R89 HydrophobicContact CG2-CB 4.31Å; L54-R89 WeakPolarHBondContact O-CA 3.04Å; Y55-R89 HydrophobicContact CD1-CG 4.4Å; Y55-R89 VanDerWaalsContact CE1-NH1 3.34Å; Q87-R89 VanDerWaalsContact C-N 3.27Å; Q87-R89 PolarHBondContact O-N 3.16Å |
| 90 | P | 87.6 | Confident | 82.5 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 24% | 0.24 | 39% | 0.394 | C | S | . | . | trans | -66.9 | 138.3 | 178.9 | 27 | -31.3 | 0 | 0 | 0 | 112.4 | L54 S80 | L54-P90 HydrophobicContact CB-CG 3.91Å; L54-P90 HydrophobicContact CD2-CG 4.05Å; L54-P90 PolarHBondContact N-O 2.9Å; S80-P90 WeakPolarHBondContact OG-CA 3.39Å | ||
| 91 | V | 90.9 | Very high | 82.5 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 17% | 0.17 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.3 | 176 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | K51 T52 T53 E78 P79 S80 | K51-V91 HydrophobicContact CD-CG1 4.36Å; K51-V91 HydrophobicContact CG-CG1 4.04Å; T52-V91 CarbonylContact O-C 3.56Å; T52-V91 VanDerWaalsContact O-CA 3.3Å; T52-V91 WeakPolarHBondContact O-CA 3.04Å; T53-V91 HydrophobicContact CG2-CG2 4.28Å; E78-V91 WeakPolarHBondContact O-CG1 3.46Å; P79-V91 WeakPolarHBondContact CA-O 3.19Å; S80-V91 PolarHBondContact N-O 3.49Å; S80-V91 PolarHBondContact OG-N 3.24Å |
| 92 | S | 90.8 | Very high | 82.2 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.7 | 168.1 | 69.1 | 0 | 0 | 0 | 0 | 111.1 | T52 | T52-S92 WeakPolarHBondContact CB-OG 3.48Å; T52-S92 PolarHBondContact N-O 3.46Å; T52-S92 PolarHBondContact O-N 2.02Å |
| 93 | C | 93.8 | Very high | 81.7 | Confident | 35 Ų | 35 | 66.3 Ų | 66.3 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.3 | -172.7 | -54.3 | 0 | 0 | 0 | 0 | 110 | M49 C50 C77 | M49-C93 HydrophobicContact CE-CB 4.11Å; C50-C93 WeakPolarHBondContact O-CA 3.38Å; C77-C93 HydrophobicContact CB-CB 3.62Å; C77-C93 WeakPolarHBondContact CB-SG 3.27Å; C77-C93 VanDerWaalsContact SG-CA 3.6Å; C77-C93 WeakPolarHBondContact SG-CB 3.4Å; C77-C93 CovalentContact SG-SG 2.02Å; C77-C93 PolarHBondContact SG-SG 2.92Å |
| 94 | C | 93.6 | Very high | 80.5 | Confident | 21 Ų | 21 | 62 Ų | 62 | 14% | 0.142 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 166.9 | 173.7 | 60.3 | 0 | 0 | 0 | 0 | 110.1 | M49 C50 C99 N100 A106 | M49-C94 CarbonylContact C-O 3.47Å; M49-C94 VanDerWaalsContact CA-O 3.27Å; M49-C94 WeakPolarHBondContact CA-O 3.42Å; C50-C94 PolarHBondContact N-O 2.91Å; C50-C94 PolarHBondContact O-N 3.39Å; C94-C99 HydrophobicContact CB-CB 3.73Å; C94-C99 WeakPolarHBondContact CB-SG 3.35Å; C94-C99 WeakPolarHBondContact SG-CB 3.26Å; C94-C99 CovalentContact SG-SG 2.02Å; C94-C99 PolarHBondContact SG-SG 3.03Å; C94-N100 PolarHBondContact SG-N 3.25Å; C94-N100 VanDerWaalsContact SG-N 3.39Å; C94-A106 HydrophobicContact CB-CB 4.45Å |
| 95 | N | 93.1 | Very high | 79.4 | Confident | 102 Ų | 102 | 66 Ų | 66 | 55% | 0.545 | 40% | 0.398 | S | S | . | . | trans | -138.8 | 27.7 | -169.3 | 66.4 | -21.9 | 0 | 0 | 0 | 113.8 | T48 | T48-N95 WeakPolarHBondContact O-CB 3.46Š| ||
| 96 | T | 90.5 | Very high | 78.7 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -120.6 | 160.6 | 175.9 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | L23 L98 C99 | L23-T96 VanDerWaalsContact CD1-C 3.48Å; T96-L98 PolarHBondContact O-N 2.91Å; T96-C99 WeakPolarHBondContact O-CB 3.32Å; T96-C99 PolarHBondContact O-N 2.98Å; T96-C99 VanDerWaalsContact O-N 3.15Å; T96-C99 PolarHBondContact O-SG 3.22Å; T96-C99 WeakPolarHBondContact OG1-CB 3.48Å |
| 97 | E | 92.2 | Very high | 77.9 | Confident | 88 Ų | 88 | 66.1 Ų | 66.1 | 41% | 0.411 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 124.5 | -179 | -65.3 | -60.4 | 129.2 | 0 | 0 | 111.9 | L23 H24 C99 | L23-E97 WeakPolarHBondContact CA-OE1 3.42Å; H24-E97 VanDerWaalsContact CB-OE2 3.29Å; H24-E97 WeakPolarHBondContact CB-OE2 3.48Å; H24-E97 IonicContact CG-OE2 3.41Å; H24-E97 PolarHBondContact N-OE1 2.94Å; H24-E97 PolarHBondContact N-OE2 2.81Å; H24-E97 VanDerWaalsContact N-OE2 3.08Å; H24-E97 IonicContact ND1-OE2 2.83Å; H24-E97 PolarHBondContact ND1-OE2 3.46Å; E97-C99 PolarHBondContact O-N 2.83Å |
| 98 | L | 92.8 | Very high | 76.9 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 28% | 0.277 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 26.5 | 176.1 | -54.2 | 177.4 | 0 | 0 | 0 | 113.8 | H24 Y26 I40 T96 N100 V101 | H24-L98 HydrophobicContact CB-CD2 3.86Å; H24-L98 HydrophobicContact CB-CG 4.4Å; H24-L98 PolarHBondContact O-N 2.98Å; Y26-L98 HydrophobicContact CD2-CB 4.46Å; Y26-L98 HydrophobicContact CE2-CB 3.91Å; Y26-L98 HydrophobicContact CE2-CD2 4.37Å; I40-L98 HydrophobicContact CB-CD2 4.41Å; I40-L98 HydrophobicContact CD1-CD1 4.08Å; I40-L98 HydrophobicContact CD1-CD2 4.15Å; I40-L98 HydrophobicContact CG1-CD2 3.91Å; I40-L98 HydrophobicContact CG2-CD2 3.79Å; T96-L98 PolarHBondContact O-N 2.91Å; L98-N100 PolarHBondContact O-N 2.89Å; L98-V101 PolarHBondContact O-N 2.66Å |
| 99 | C | 92.9 | Very high | 75.7 | Confident | 15 Ų | 15 | 69.5 Ų | 69.5 | 10% | 0.101 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -22.7 | -172.8 | 64.2 | 0 | 0 | 0 | 0 | 113.9 | C94 T96 E97 V101 | C94-C99 HydrophobicContact CB-CB 3.73Å; C94-C99 WeakPolarHBondContact CB-SG 3.35Å; C94-C99 WeakPolarHBondContact SG-CB 3.26Å; C94-C99 CovalentContact SG-SG 2.02Å; C94-C99 PolarHBondContact SG-SG 3.03Å; T96-C99 WeakPolarHBondContact O-CB 3.32Å; T96-C99 PolarHBondContact O-N 2.98Å; T96-C99 VanDerWaalsContact O-N 3.15Å; T96-C99 PolarHBondContact O-SG 3.22Å; T96-C99 WeakPolarHBondContact OG1-CB 3.48Å; E97-C99 PolarHBondContact O-N 2.83Å; C99-V101 PolarHBondContact O-N 2.66Å |
| 100 | N | 92.7 | Very high | 74.1 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 3% | 0.027 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 32.5 | 179 | 66.6 | -27.3 | 0 | 0 | 0 | 112.3 | Y26 C50 T52 K71 C94 L98 | Y26-N100 PolarHBondContact N-OD1 3.08Å; Y26-N100 PolarHBondContact O-ND2 2.97Å; C50-N100 HydrophobicContact CB-CB 3.71Å; T52-N100 WeakPolarHBondContact OG1-CB 3.05Å; K71-N100 PolarHBondContact NZ-O 2.75Å; C94-N100 PolarHBondContact SG-N 3.25Å; C94-N100 VanDerWaalsContact SG-N 3.39Å; L98-N100 PolarHBondContact O-N 2.89Å |
| 101 | V | 86.9 | Confident | 72.5 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 41% | 0.412 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -72.8 | 150 | 164.1 | 68.8 | 0 | 0 | 0 | 0 | 109.3 | Y26 L98 C99 G103 A104 | Y26-V101 HydrophobicContact CE2-CB 4.06Å; Y26-V101 HydrophobicContact CE2-CG2 4.43Å; L98-V101 PolarHBondContact O-N 2.66Å; C99-V101 PolarHBondContact O-N 2.66Å; V101-G103 PolarHBondContact O-N 3.12Å; V101-A104 HydrophobicContact CG1-CB 3.93Å |
| 102 | D | 73.3 | Confident | 70.6 | Confident | 76 Ų | 76 | 77 Ų | 77 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 131.6 | -170.9 | -50.1 | -53.2 | 0 | 0 | 0 | 112.1 | V34 K71 A104 | V34-D102 HydrophobicContact CG1-CB 3.82Å; V34-D102 WeakPolarHBondContact CG1-OD1 3.17Å; V34-D102 VanDerWaalsContact CG1-OD2 3.29Å; V34-D102 WeakPolarHBondContact CG1-OD2 3.44Å; K71-D102 IonicContact NZ-OD1 2.75Å; K71-D102 PolarHBondContact NZ-OD1 3.02Å; D102-A104 PolarHBondContact O-N 2.79Å |
| 103 | G | 59 | Low | 68.7 | Low | 89 Ų | 89 | 80.3 Ų | 80.3 | 92% | 0.918 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 5.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 118 | V101 | V101-G103 PolarHBondContact O-N 3.12Š|
| 104 | A | 44.5 | Very low | 66.7 | Low | 54 Ų | 54 | 83.3 Ų | 83.3 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | trans | -97 | 126.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V101 D102 A106 | V101-A104 HydrophobicContact CG1-CB 3.93Å; D102-A104 PolarHBondContact O-N 2.79Å; A104-A106 PolarHBondContact O-N 3.13Å | ||
| 105 | P | 43.6 | Very low | 64.6 | Low | 119 Ų | 119 | 85 Ų | 85 | 77% | 0.773 | 54% | 0.536 | S | S | * | . | trans | -64.3 | 126.2 | 161.2 | 27.4 | -30.1 | 0 | 0 | 0 | 108 | L107 | P105-L107 PolarHBondContact O-N 2.98Š| ||
| 106 | A | 46 | Very low | 62.6 | Low | 50 Ų | 50 | 83.7 Ų | 83.7 | 41% | 0.413 | 54% | 0.539 | S | S | . | . | trans | -61.9 | 98.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | C94 A104 N108 | C94-A106 HydrophobicContact CB-CB 4.45Å; A104-A106 PolarHBondContact O-N 3.13Å; A106-N108 PolarHBondContact O-N 3.33Å | ||
| 107 | L | 46.4 | Very low | 60.8 | Low | 161 Ų | 161 | 87.7 Ų | 87.7 | 84% | 0.843 | 56% | 0.558 | S | S | * | * | trans | -74.8 | 108.8 | 171.8 | -169.5 | 66.8 | 0 | 0 | 0 | 107.3 | P105 S109 | P105-L107 PolarHBondContact O-N 2.98Å; L107-S109 PolarHBondContact O-N 2.95Å | ||
| 108 | N | 48.9 | Very low | 59 | Low | 125 Ų | 125 | 88.6 Ų | 88.6 | 67% | 0.668 | 57% | 0.57 | S | S | * | * | trans | -50.6 | 113.8 | 170.4 | -80.8 | -3.4 | 0 | 0 | 0 | 109.3 | A106 P110 | A106-N108 PolarHBondContact O-N 3.33Å; N108-P110 VanDerWaalsContact O-CD 3.24Å; N108-P110 WeakPolarHBondContact O-CD 3.5Å | ||
| 109 | S | 46.4 | Very low | 57.1 | Low | 74 Ų | 74 | 91 Ų | 91 | 52% | 0.517 | 58% | 0.583 | S | S | . | * | trans | -93.1 | 108.7 | 169.2 | -170.6 | 0 | 0 | 0 | 0 | 109 | L107 H111 | L107-S109 PolarHBondContact O-N 2.95Å; S109-H111 VanDerWaalsContact CB-CE1 3.5Å; S109-H111 WeakPolarHBondContact CB-CE1 3.38Å; S109-H111 PolarHBondContact O-N 2.93Å; S109-H111 PolarHBondContact OG-CE1 2.75Å; S109-H111 PolarHBondContact OG-ND1 3.31Å | ||
| 110 | P | 49.9 | Very low | 55.3 | Low | 99 Ų | 99 | 94.8 Ų | 94.8 | 64% | 0.643 | 60% | 0.601 | S | S | * | * | trans | -74.2 | 89.4 | 171.2 | 29.8 | -32.2 | 0 | 0 | 0 | 109.6 | N108 C112 | N108-P110 VanDerWaalsContact O-CD 3.24Å; N108-P110 WeakPolarHBondContact O-CD 3.5Å; P110-C112 PolarHBondContact O-N 3.44Å | ||
| 111 | H | 53.7 | Low | 53.5 | Low | 170 Ų | 170 | 98.5 Ų | 98.5 | 79% | 0.787 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 31.3 | 178.1 | -79.6 | 103.7 | 0 | 0 | 0 | 115.1 | S109 | S109-H111 VanDerWaalsContact CB-CE1 3.5Å; S109-H111 WeakPolarHBondContact CB-CE1 3.38Å; S109-H111 PolarHBondContact O-N 2.93Å; S109-H111 PolarHBondContact OG-CE1 2.75Å; S109-H111 PolarHBondContact OG-ND1 3.31Å |
| 112 | C | 51.4 | Low | 51.9 | Low | 101 Ų | 101 | 101.3 Ų | 101.3 | 68% | 0.682 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | -6.3 | 178 | -73 | 0 | 0 | 0 | 0 | 115.3 | P110 | P110-C112 PolarHBondContact O-N 3.44Š|
| 113 | L | 51.3 | Low | 50.9 | Low | 133 Ų | 133 | 101.9 Ų | 101.9 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -100.3 | -7 | -172.5 | -62.4 | 179.5 | 0 | 0 | 0 | 115.4 | ||
| 114 | A | 50.9 | Low | 50.8 | Low | 98 Ų | 98 | 103.4 Ų | 103.4 | 81% | 0.81 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -82.6 | -16.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 115 | G | 49.3 | Very low | 51.2 | Low | 57 Ų | 57 | 107.7 Ų | 107.7 | 59% | 0.588 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -96.2 | -9.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 116 | A | 51.1 | Low | 51.7 | Low | 74 Ų | 74 | 112.1 Ų | 112.1 | 61% | 0.612 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -86.2 | -14.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 117 | L | 52.7 | Low | 51.7 | Low | 133 Ų | 133 | 121 Ų | 121 | 70% | 0.696 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -91.4 | -9.3 | -169.7 | -85 | 146.5 | 0 | 0 | 0 | 115.3 | L120 | L117-L120 HydrophobicContact CD2-CD1 4.08Š|
| 118 | T | 54.3 | Low | 52 | Low | 106 Ų | 106 | 119.1 Ų | 119.1 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -95.2 | -10.8 | -175.2 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | P121 | T118-P121 WeakPolarHBondContact O-CD 3.17Š|
| 119 | L | 54.1 | Low | 52.1 | Low | 104 Ų | 104 | 118.7 Ų | 118.7 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -103.2 | -7.1 | -179.1 | -70.2 | 168.4 | 0 | 0 | 0 | 114.5 | L122 | L119-L122 HydrophobicContact CD2-CD1 3.73Å; L119-L122 PolarHBondContact O-N 3.24Å |
| 120 | L | 55.2 | Low | 52.5 | Low | 94 Ų | 94 | 121.2 Ų | 121.2 | 49% | 0.492 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -54.6 | -36.5 | 170.9 | -79 | 153.4 | 0 | 0 | 0 | 114.9 | L117 L122 L123 N124 | L117-L120 HydrophobicContact CD2-CD1 4.08Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.24Å; L120-L123 PolarHBondContact O-N 3.07Å; L120-N124 PolarHBondContact O-ND2 3.15Å |
| 121 | P | 54 | Low | 52.6 | Low | 84 Ų | 84 | 122.5 Ų | 122.5 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -73.6 | -24.2 | 179.8 | 26.8 | -31.3 | 0 | 0 | 0 | 113.1 | T118 L123 N124 | T118-P121 WeakPolarHBondContact O-CD 3.17Å; P121-L123 VanDerWaalsContact C-N 3.34Å; P121-N124 PolarHBondContact O-N 3.44Å |
| 122 | L | 53.5 | Low | 52.5 | Low | 127 Ų | 127 | 119.6 Ų | 119.6 | 67% | 0.665 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76.4 | -21.1 | 177.7 | -65.5 | 179 | 0 | 0 | 0 | 113 | L119 L120 N124 | L119-L122 HydrophobicContact CD2-CD1 3.73Å; L119-L122 PolarHBondContact O-N 3.24Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.24Å; L122-N124 VanDerWaalsContact C-N 3.3Å |
| 123 | L | 53.3 | Low | 52.6 | Low | 87 Ų | 87 | 120.8 Ų | 120.8 | 46% | 0.455 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -75.6 | -20.5 | 176.8 | -167 | 61.9 | 0 | 0 | 0 | 112.9 | R5 L120 P121 | R5-L123 HydrophobicContact CG-CD1 4.09Å; L120-L123 PolarHBondContact O-N 3.07Å; P121-L123 VanDerWaalsContact C-N 3.34Å |
| 124 | N | 55.6 | Low | 52.7 | Low | 122 Ų | 122 | 119.9 Ų | 119.9 | 65% | 0.652 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -102.6 | -8.6 | -172.9 | -69.3 | -63.6 | 0 | 0 | 0 | 114.6 | L120 P121 L122 R126 | L120-N124 PolarHBondContact O-ND2 3.15Å; P121-N124 PolarHBondContact O-N 3.44Å; L122-N124 VanDerWaalsContact C-N 3.3Å; N124-R126 VanDerWaalsContact C-N 3.33Å; N124-R126 PolarHBondContact O-N 2.86Å |
| 125 | L | 52.6 | Low | 52.9 | Low | 143 Ų | 143 | 121.6 Ų | 121.6 | 75% | 0.749 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -89.1 | 17.6 | -173.3 | -152.8 | 71.4 | 0 | 0 | 0 | 115.3 | ||
| 126 | R | 54.6 | Low | 53.2 | Low | 212 Ų | 212 | 127 Ų | 127 | 80% | 0.8 | 68% | 0.676 | S | S | * | * | trans | -140.1 | 52.3 | 173.9 | -69.9 | -75.5 | -174.6 | -171.6 | -3.4 | 110.4 | M1 N124 | M1-R126 HydrophobicContact CE-CB 4.48Å; M1-R126 WeakPolarHBondContact CE-O 3.21Å; N124-R126 VanDerWaalsContact C-N 3.33Å; N124-R126 PolarHBondContact O-N 2.86Å | ||
| 127 | L | 46.9 | Very low | 53.3 | Low | 238 Ų | 238 | 131.8 Ų | 131.8 | 100% | 1.246 | 68% | 0.681 | S | S | * | * | trans | -90 | 0 | 150.6 | -169.8 | 69.2 | 0 | 0 | 0 | 107.8 |
Retrieved 127 of 127 residues in 387.1 ms
(Link to these results)