| 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 | 37.1 | Very low | 29 | Very low | 248 Ų | 248 | 123.7 Ų | 123.7 | 100% | 1.222 | 81% | 0.814 | S | S | * | * | 0 | 105.5 | 0 | -80.6 | 150.3 | 92.2 | 0 | 0 | 107.3 | |||||
| 2 | A | 36.5 | Very low | 28.8 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -84.1 | 139.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 3 | P | 31.8 | Very low | 28.9 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -66.6 | 135 | -179.7 | 27.1 | -32.5 | 0 | 0 | 0 | 110.4 | S5 | P3-S5 PolarHBondContact O-N 3.07Å; P3-S5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | L | 26.4 | Very low | 28.9 | Very low | 175 Ų | 175 | 116.3 Ų | 116.3 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -60.2 | 107.1 | 170 | -68.5 | 162.4 | 0 | 0 | 0 | 108.2 | ||||
| 5 | S | 26.3 | Very low | 28.8 | Very low | 105 Ų | 105 | 115.1 Ų | 115.1 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -60.2 | 134.5 | 168.7 | -69.8 | 0 | 0 | 0 | 0 | 109 | P3 S7 | P3-S5 PolarHBondContact O-N 3.07Å; P3-S5 VanDerWaalsContact O-N 3.07Å; S5-S7 PolarHBondContact O-N 3.11Å; S5-S7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | P | 27 | Very low | 28.6 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | -59.2 | 119.5 | 176.8 | 23.4 | -31.3 | 0 | 0 | 0 | 108.9 | A8 | P6-A8 PolarHBondContact O-N 2.96Š| ||
| 7 | S | 24.4 | Very low | 28.7 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | trans | -57.4 | 107.4 | 168.1 | -66.1 | 0 | 0 | 0 | 0 | 107.8 | S5 | S5-S7 PolarHBondContact O-N 3.11Å; S5-S7 VanDerWaalsContact O-N 3.11Å | ||
| 8 | A | 26.6 | Very low | 28.9 | Very low | 86 Ų | 86 | 115.4 Ų | 115.4 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -56.1 | 131.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | P6 A10 | P6-A8 PolarHBondContact O-N 2.96Å; A8-A10 PolarHBondContact O-N 3.28Å | ||
| 9 | P | 26.4 | Very low | 29.1 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 79% | 0.792 | 71% | 0.712 | S | S | * | * | trans | -57.6 | 131.6 | 174.5 | 22.1 | -28.9 | 0 | 0 | 0 | 108.3 | A11 | P9-A11 PolarHBondContact O-N 3.02Š| ||
| 10 | A | 26.3 | Very low | 29.3 | Very low | 100 Ų | 100 | 113.7 Ų | 113.7 | 83% | 0.826 | 69% | 0.694 | S | S | * | * | trans | -53 | 115.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | A8 | A8-A10 PolarHBondContact O-N 3.28Š| ||
| 11 | A | 30.1 | Very low | 29.5 | Very low | 65 Ų | 65 | 110.3 Ų | 110.3 | 54% | 0.537 | 67% | 0.672 | S | S | . | * | trans | -56.8 | 135.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P9 T13 | P9-A11 PolarHBondContact O-N 3.02Å; A11-T13 PolarHBondContact O-N 2.84Å | ||
| 12 | P | 26.8 | Very low | 29.5 | Very low | 84 Ų | 84 | 99.1 Ų | 99.1 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | trans | -64.2 | 99.3 | 176.1 | 25.4 | -31.5 | 0 | 0 | 0 | 108.4 | G14 L15 | P12-G14 PolarHBondContact O-N 3.12Å; P12-L15 HydrophobicContact CB-CD1 4.26Å; P12-L15 HydrophobicContact CG-CD1 4.05Å; P12-L15 PolarHBondContact O-N 2.68Å | ||
| 13 | T | 30.5 | Very low | 29.4 | Very low | 136 Ų | 136 | 96.1 Ų | 96.1 | 83% | 0.834 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -6.6 | -176 | 42.8 | 0 | 0 | 0 | 0 | 113.8 | A11 | A11-T13 PolarHBondContact O-N 2.84Š|
| 14 | G | 28.7 | Very low | 29.4 | Very low | 47 Ų | 47 | 92 Ų | 92 | 49% | 0.485 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.6 | -30.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P12 | P12-G14 PolarHBondContact O-N 3.12Š|
| 15 | L | 26.6 | Very low | 29.7 | Very low | 98 Ų | 98 | 86.1 Ų | 86.1 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -81.2 | -34.8 | -171.6 | -67.8 | 170.7 | 0 | 0 | 0 | 112.5 | P12 Q17 D18 Y19 | P12-L15 HydrophobicContact CB-CD1 4.26Å; P12-L15 HydrophobicContact CG-CD1 4.05Å; P12-L15 PolarHBondContact O-N 2.68Å; L15-Q17 VanDerWaalsContact C-N 3.26Å; L15-Q17 PolarHBondContact O-N 3Å; L15-D18 PolarHBondContact O-N 3.02Å; L15-Y19 WeakPolarHBondContact O-CD2 3.24Å; L15-Y19 PolarHBondContact O-N 3.32Å; L15-Y19 VanDerWaalsContact O-N 3.07Å |
| 16 | Y | 26.8 | Very low | 30 | Very low | 153 Ų | 153 | 81.6 Ų | 81.6 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -30.9 | -179.9 | -99.8 | -91.1 | 0 | 0 | 0 | 113.5 | A20 | Y16-A20 PolarHBondContact O-N 3.41Å |
| 17 | Q | 30.1 | Very low | 30.2 | Very low | 94 Ų | 94 | 76.2 Ų | 76.2 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -75.7 | -38 | -179.4 | -162.2 | 63.5 | 53.2 | 0 | 0 | 111.5 | L15 Y19 A20 N21 | L15-Q17 VanDerWaalsContact C-N 3.26Å; L15-Q17 PolarHBondContact O-N 3Å; Q17-Y19 VanDerWaalsContact C-N 3.34Å; Q17-A20 PolarHBondContact O-N 3.11Å; Q17-N21 WeakPolarHBondContact O-CB 3.37Å; Q17-N21 PolarHBondContact O-N 2.99Å; Q17-N21 PolarHBondContact O-ND2 2.89Å |
| 18 | D | 32 | Very low | 30.5 | Very low | 105 Ų | 105 | 71 Ų | 71 | 56% | 0.561 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.7 | -37.4 | 172.2 | -72.1 | -33.7 | 0 | 0 | 0 | 111.4 | L15 N21 A22 | L15-D18 PolarHBondContact O-N 3.02Å; D18-N21 PolarHBondContact O-N 3.39Å; D18-A22 WeakPolarHBondContact O-CB 3.39Å; D18-A22 PolarHBondContact O-N 3.4Å |
| 19 | Y | 32.7 | Very low | 30.6 | Very low | 153 Ų | 153 | 69.6 Ų | 69.6 | 60% | 0.6 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.2 | -35.5 | 173.7 | -86 | -74.4 | 0 | 0 | 0 | 113.5 | L15 Q17 A22 A23 | L15-Y19 WeakPolarHBondContact O-CD2 3.24Å; L15-Y19 PolarHBondContact O-N 3.32Å; L15-Y19 VanDerWaalsContact O-N 3.07Å; Q17-Y19 VanDerWaalsContact C-N 3.34Å; Y19-A22 WeakPolarHBondContact O-CB 3.41Å; Y19-A23 WeakPolarHBondContact O-CB 3.38Å; Y19-A23 PolarHBondContact O-N 3.3Å |
| 20 | A | 33.2 | Very low | 30.6 | Very low | 42 Ų | 42 | 64.7 Ų | 64.7 | 35% | 0.347 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71.7 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y16 Q17 A22 A23 A24 | Y16-A20 PolarHBondContact O-N 3.41Å; Q17-A20 PolarHBondContact O-N 3.11Å; A20-A22 VanDerWaalsContact C-N 3.29Å; A20-A23 PolarHBondContact O-N 3.1Å; A20-A24 WeakPolarHBondContact O-CB 3.31Å; A20-A24 PolarHBondContact O-N 3.24Å |
| 21 | N | 34 | Very low | 30.6 | Very low | 44 Ų | 44 | 60.8 Ų | 60.8 | 24% | 0.235 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 174.2 | -68.9 | -15 | 0 | 0 | 0 | 111.2 | Q17 D18 A24 A25 M118 | Q17-N21 WeakPolarHBondContact O-CB 3.37Å; Q17-N21 PolarHBondContact O-N 2.99Å; Q17-N21 PolarHBondContact O-ND2 2.89Å; D18-N21 PolarHBondContact O-N 3.39Å; N21-A24 PolarHBondContact O-N 3.41Å; N21-A25 PolarHBondContact O-N 2.96Å; N21-M118 HydrophobicContact CB-CE 4.05Å; N21-M118 HydrophobicContact CB-SD 3.9Å; N21-M118 WeakPolarHBondContact OD1-CE 3.39Å |
| 22 | A | 35.4 | Very low | 30.3 | Very low | 12 Ų | 12 | 66.3 Ų | 66.3 | 10% | 0.099 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D18 Y19 A20 A24 A25 A26 Y55 | D18-A22 WeakPolarHBondContact O-CB 3.39Å; D18-A22 PolarHBondContact O-N 3.4Å; Y19-A22 WeakPolarHBondContact O-CB 3.41Å; A20-A22 VanDerWaalsContact C-N 3.29Å; A22-A24 VanDerWaalsContact C-N 3.29Å; A22-A24 PolarHBondContact O-N 2.98Å; A22-A25 PolarHBondContact O-N 3.37Å; A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 3.37Å; A22-Y55 HydrophobicContact CB-CD1 4.25Å; A22-Y55 HydrophobicContact CB-CE1 3.2Å; A22-Y55 VanDerWaalsContact CB-CZ 3.41Å; A22-Y55 WeakPolarHBondContact CB-OH 3.46Å; A22-Y55 VanDerWaalsContact O-CD1 3.25Å; A22-Y55 WeakPolarHBondContact O-CD1 3.07Å; A22-Y55 VanDerWaalsContact O-CE1 3.29Å; A22-Y55 WeakPolarHBondContact O-CE1 3.05Å |
| 23 | A | 34.8 | Very low | 30.2 | Very low | 31 Ų | 31 | 66.5 Ų | 66.5 | 26% | 0.256 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.7 | -35.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y19 A20 A26 A27 A99 | Y19-A23 WeakPolarHBondContact O-CB 3.38Å; Y19-A23 PolarHBondContact O-N 3.3Å; A20-A23 PolarHBondContact O-N 3.1Å; A23-A26 PolarHBondContact O-N 3.49Å; A23-A27 WeakPolarHBondContact O-CB 3.22Å; A23-A27 PolarHBondContact O-N 3.46Å; A23-A99 HydrophobicContact CB-CB 4.35Å |
| 24 | A | 32.4 | Very low | 29.9 | Very low | 33 Ų | 33 | 63.3 Ų | 63.3 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A20 N21 A22 A28 A102 | A20-A24 WeakPolarHBondContact O-CB 3.31Å; A20-A24 PolarHBondContact O-N 3.24Å; N21-A24 PolarHBondContact O-N 3.41Å; A22-A24 VanDerWaalsContact C-N 3.29Å; A22-A24 PolarHBondContact O-N 2.98Å; A24-A28 WeakPolarHBondContact O-CB 3.15Å; A24-A28 PolarHBondContact O-N 3.41Å; A24-A102 HydrophobicContact CB-CB 4.04Å |
| 25 | A | 33.3 | Very low | 29.6 | Very low | 53 Ų | 53 | 67.4 Ų | 67.4 | 44% | 0.438 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N21 A22 A28 A29 | N21-A25 PolarHBondContact O-N 2.96Å; A22-A25 PolarHBondContact O-N 3.37Å; A25-A28 PolarHBondContact O-N 2.98Å; A25-A29 PolarHBondContact O-N 3.1Å; A25-A29 VanDerWaalsContact O-N 3.1Å |
| 26 | A | 32.3 | Very low | 29.4 | Very low | 9 Ų | 9 | 68 Ų | 68 | 7% | 0.074 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66 | -52.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | A22 A23 A28 A29 A30 Y55 V59 | A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 3.37Å; A23-A26 PolarHBondContact O-N 3.49Å; A26-A28 PolarHBondContact O-N 2.97Å; A26-A29 PolarHBondContact O-N 3.15Å; A26-A30 PolarHBondContact O-N 3.11Å; A26-Y55 HydrophobicContact CB-CD1 3.9Å; A26-Y55 HydrophobicContact CB-CG 4.35Å; A26-V59 HydrophobicContact CB-CG2 3.59Å; A26-V59 WeakPolarHBondContact O-CG2 3.38Å |
| 27 | A | 30.9 | Very low | 29.2 | Very low | 12 Ų | 12 | 66.3 Ų | 66.3 | 10% | 0.099 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -50.3 | -40.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A23 A30 A99 A102 A103 | A23-A27 WeakPolarHBondContact O-CB 3.22Å; A23-A27 PolarHBondContact O-N 3.46Å; A27-A30 VanDerWaalsContact O-CB 3.3Å; A27-A30 WeakPolarHBondContact O-CB 3.48Å; A27-A30 PolarHBondContact O-N 3.29Å; A27-A99 HydrophobicContact CB-CB 4.47Å; A27-A99 WeakPolarHBondContact CB-O 3.37Å; A27-A102 HydrophobicContact CB-CB 4.48Å; A27-A103 HydrophobicContact CB-CB 3.7Å; A27-A103 VanDerWaalsContact O-CA 3.27Å; A27-A103 WeakPolarHBondContact O-CA 3.3Å; A27-A103 WeakPolarHBondContact O-CB 3.4Å |
| 28 | A | 29.9 | Very low | 29 | Very low | 13 Ų | 13 | 65.1 Ų | 65.1 | 11% | 0.107 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.9 | -46.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A24 A25 A26 A30 S31 A106 F113 | A24-A28 WeakPolarHBondContact O-CB 3.15Å; A24-A28 PolarHBondContact O-N 3.41Å; A25-A28 PolarHBondContact O-N 2.98Å; A26-A28 PolarHBondContact O-N 2.97Å; A28-A30 PolarHBondContact O-N 3.43Å; A28-S31 PolarHBondContact O-N 3.31Å; A28-S31 VanDerWaalsContact O-N 3.09Å; A28-A106 HydrophobicContact CB-CB 3.66Å; A28-F113 VanDerWaalsContact CA-CZ 3.47Å; A28-F113 HydrophobicContact CB-CE1 3.22Å; A28-F113 HydrophobicContact CB-CZ 3.31Å; A28-F113 WeakPolarHBondContact O-CE2 3.21Å; A28-F113 WeakPolarHBondContact O-CZ 3.48Å |
| 29 | A | 28.5 | Very low | 28.7 | Very low | 55 Ų | 55 | 65.7 Ų | 65.7 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.5 | -27 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A25 A26 S31 | A25-A29 PolarHBondContact O-N 3.1Å; A25-A29 VanDerWaalsContact O-N 3.1Å; A26-A29 PolarHBondContact O-N 3.15Å; A29-S31 PolarHBondContact O-N 3.07Å |
| 30 | A | 27.8 | Very low | 28.4 | Very low | 20 Ų | 20 | 61.9 Ų | 61.9 | 17% | 0.165 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A26 A27 A28 V59 A63 | A26-A30 PolarHBondContact O-N 3.11Å; A27-A30 VanDerWaalsContact O-CB 3.3Å; A27-A30 WeakPolarHBondContact O-CB 3.48Å; A27-A30 PolarHBondContact O-N 3.29Å; A28-A30 PolarHBondContact O-N 3.43Å; A30-V59 HydrophobicContact CB-CB 4.16Å; A30-V59 HydrophobicContact CB-CG1 3.3Å; A30-V59 HydrophobicContact CB-CG2 4.05Å; A30-A63 HydrophobicContact CB-CB 4.42Å |
| 31 | S | 25.7 | Very low | 28 | Very low | 18 Ų | 18 | 65.8 Ų | 65.8 | 13% | 0.126 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 9.2 | -167 | -146 | 0 | 0 | 0 | 0 | 114.7 | A28 A29 V33 A103 N107 | A28-S31 PolarHBondContact O-N 3.31Å; A28-S31 VanDerWaalsContact O-N 3.09Å; A29-S31 PolarHBondContact O-N 3.07Å; S31-V33 VanDerWaalsContact C-N 3.26Å; S31-V33 PolarHBondContact O-N 3.08Å; S31-A103 WeakPolarHBondContact CB-O 3.27Å; S31-A103 PolarHBondContact OG-O 3.43Å; S31-N107 PolarHBondContact O-ND2 2.66Å; S31-N107 PolarHBondContact O-OD1 3.07Å; S31-N107 WeakPolarHBondContact OG-CB 3.23Å; S31-N107 PolarHBondContact OG-ND2 3.18Å |
| 32 | Y | 23.7 | Very low | 27.8 | Very low | 181 Ų | 181 | 69.4 Ų | 69.4 | 71% | 0.71 | 45% | 0.445 | S | S | * | . | trans | -74.5 | 82.6 | 164.4 | -165.5 | -97 | 0 | 0 | 0 | 109.5 | P34 | Y32-P34 WeakPolarHBondContact O-CD 3.46Š| ||
| 33 | V | 25.4 | Very low | 27.4 | Very low | 87 Ų | 87 | 71.1 Ų | 71.1 | 53% | 0.527 | 46% | 0.464 | S | S | . | . | trans | -90.4 | 104.2 | 169.7 | 180 | 0 | 0 | 0 | 0 | 107.4 | S31 T35 | S31-V33 VanDerWaalsContact C-N 3.26Å; S31-V33 PolarHBondContact O-N 3.08Å; V33-T35 PolarHBondContact O-N 3.09Å | ||
| 34 | P | 23.6 | Very low | 27 | Very low | 70 Ų | 70 | 75.8 Ų | 75.8 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | trans | -61.9 | 112.3 | 165.5 | 22.7 | -28.1 | 0 | 0 | 0 | 107.9 | Y32 T36 | Y32-P34 WeakPolarHBondContact O-CD 3.46Å; P34-T36 PolarHBondContact O-N 3.19Å | ||
| 35 | T | 23 | Very low | 26.9 | Very low | 132 Ų | 132 | 80.2 Ų | 80.2 | 81% | 0.81 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -69 | 65 | 177 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | V33 | V33-T35 PolarHBondContact O-N 3.09Š|
| 36 | T | 21.9 | Very low | 26.6 | Very low | 110 Ų | 110 | 81 Ų | 81 | 68% | 0.675 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -170.4 | 89.8 | 171.1 | 34.4 | 0 | 0 | 0 | 0 | 109.5 | P34 A38 | P34-T36 PolarHBondContact O-N 3.19Å; T36-A38 VanDerWaalsContact C-N 3.32Å; T36-A38 PolarHBondContact O-N 2.98Å |
| 37 | A | 23 | Very low | 26.2 | Very low | 119 Ų | 119 | 86 Ų | 86 | 98% | 0.983 | 55% | 0.55 | S | S | * | * | S | Bend | trans | 40.1 | 42 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 38 | A | 25.2 | Very low | 26 | Very low | 69 Ų | 69 | 88.8 Ų | 88.8 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | trans | -138.9 | 120.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T36 | T36-A38 VanDerWaalsContact C-N 3.32Å; T36-A38 PolarHBondContact O-N 2.98Å | ||
| 39 | T | 26.2 | Very low | 25.8 | Very low | 116 Ų | 116 | 92 Ų | 92 | 71% | 0.712 | 60% | 0.602 | S | S | * | * | trans | -48 | 140 | 162.7 | 41.7 | 0 | 0 | 0 | 0 | 109.3 | V41 | T39-V41 PolarHBondContact O-N 3.05Š| ||
| 40 | P | 26.2 | Very low | 25.9 | Very low | 74 Ų | 74 | 95.4 Ų | 95.4 | 48% | 0.481 | 62% | 0.617 | S | S | . | * | trans | -63.6 | 104.8 | 173.1 | -0.4 | 13.2 | 0 | 0 | 0 | 107.5 | M42 Y64 | P40-M42 PolarHBondContact O-N 3.1Å; P40-Y64 HydrophobicContact CB-CE1 4.23Å; P40-Y64 HydrophobicContact CB-CE2 4.17Å; P40-Y64 HydrophobicContact CG-CD1 3.56Å; P40-Y64 HydrophobicContact CG-CD2 4.19Å; P40-Y64 HydrophobicContact CG-CE1 3.02Å; P40-Y64 HydrophobicContact CG-CE2 3.71Å; P40-Y64 HydrophobicContact CG-CG 4.12Å; P40-Y64 WeakPolarHBondContact CG-OH 3.1Å | ||
| 41 | V | 25.3 | Very low | 25.8 | Very low | 123 Ų | 123 | 102.3 Ų | 102.3 | 75% | 0.745 | 65% | 0.648 | S | S | * | * | trans | -84.1 | 104.5 | 170.5 | -180 | 0 | 0 | 0 | 0 | 106 | T39 G43 | T39-V41 PolarHBondContact O-N 3.05Å; V41-G43 PolarHBondContact O-N 3.15Å; V41-G43 VanDerWaalsContact O-N 3.1Å | ||
| 42 | M | 29.5 | Very low | 26 | Very low | 120 Ų | 120 | 104.5 Ų | 104.5 | 59% | 0.591 | 66% | 0.663 | S | S | * | * | trans | -64.7 | 108.4 | 161.5 | -89.2 | -168.1 | 44.7 | 0 | 0 | 108.3 | P40 Y45 | P40-M42 PolarHBondContact O-N 3.1Å; M42-Y45 HydrophobicContact CE-CD2 4.18Å; M42-Y45 HydrophobicContact CE-CE2 3.19Å; M42-Y45 VanDerWaalsContact CE-CZ 3.47Å; M42-Y45 VanDerWaalsContact CE-OH 3.24Å; M42-Y45 WeakPolarHBondContact CE-OH 3.28Å | ||
| 43 | G | 26.9 | Very low | 26.5 | Very low | 48 Ų | 48 | 99.2 Ų | 99.2 | 50% | 0.495 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 148.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | V41 Y45 | V41-G43 PolarHBondContact O-N 3.15Å; V41-G43 VanDerWaalsContact O-N 3.1Å; G43-Y45 PolarHBondContact O-N 3Å |
| 44 | P | 26.9 | Very low | 26.9 | Very low | 129 Ų | 129 | 97.9 Ų | 97.9 | 84% | 0.838 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 126.7 | 177.5 | 24.1 | -32.9 | 0 | 0 | 0 | 109.3 | A46 | P44-A46 PolarHBondContact O-N 3Š|
| 45 | Y | 30.4 | Very low | 27.4 | Very low | 126 Ų | 126 | 99 Ų | 99 | 49% | 0.494 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 127.8 | 170.4 | -70.6 | -76.6 | 0 | 0 | 0 | 108.6 | M42 G43 A47 | M42-Y45 HydrophobicContact CE-CD2 4.18Å; M42-Y45 HydrophobicContact CE-CE2 3.19Å; M42-Y45 VanDerWaalsContact CE-CZ 3.47Å; M42-Y45 VanDerWaalsContact CE-OH 3.24Å; M42-Y45 WeakPolarHBondContact CE-OH 3.28Å; G43-Y45 PolarHBondContact O-N 3Å; Y45-A47 PolarHBondContact O-N 3.46Å |
| 46 | A | 26.4 | Very low | 28.1 | Very low | 71 Ų | 71 | 95.7 Ų | 95.7 | 59% | 0.587 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 128.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P44 G48 S49 | P44-A46 PolarHBondContact O-N 3Å; A46-G48 PolarHBondContact O-N 2.97Å; A46-S49 PolarHBondContact O-N 2.89Å; A46-S49 VanDerWaalsContact O-N 3.14Å |
| 47 | A | 24.1 | Very low | 28.7 | Very low | 112 Ų | 112 | 94.2 Ų | 94.2 | 93% | 0.926 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | 116.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y45 | Y45-A47 PolarHBondContact O-N 3.46Š|
| 48 | G | 26.1 | Very low | 29.5 | Very low | 72 Ų | 72 | 90.2 Ų | 90.2 | 74% | 0.742 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.9 | -7.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A46 T50 | A46-G48 PolarHBondContact O-N 2.97Å; G48-T50 PolarHBondContact O-N 3.34Å |
| 49 | S | 26.2 | Very low | 30 | Very low | 79 Ų | 79 | 87.9 Ų | 87.9 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | trans | -88.2 | 91.2 | 175 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | A46 M51 | A46-S49 PolarHBondContact O-N 2.89Å; A46-S49 VanDerWaalsContact O-N 3.14Å; S49-M51 PolarHBondContact O-N 2.63Å | ||
| 50 | T | 29.4 | Very low | 30.5 | Very low | 127 Ų | 127 | 83.4 Ų | 83.4 | 78% | 0.779 | 52% | 0.521 | S | S | * | . | trans | -79.7 | 17.8 | -174.9 | -18.3 | 0 | 0 | 0 | 0 | 115.1 | G48 | G48-T50 PolarHBondContact O-N 3.34Š| ||
| 51 | M | 26.1 | Very low | 31.1 | Very low | 165 Ų | 165 | 81.3 Ų | 81.3 | 81% | 0.813 | 51% | 0.507 | S | S | * | . | trans | -124 | 92.3 | 179 | -65.1 | -143 | 123.7 | 0 | 0 | 110.1 | S49 D53 | S49-M51 PolarHBondContact O-N 2.63Å; M51-D53 PolarHBondContact O-N 3.01Å | ||
| 52 | C | 29.8 | Very low | 31.6 | Very low | 65 Ų | 65 | 79 Ų | 79 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | trans | -69.6 | 96.6 | 151.2 | -166.3 | 0 | 0 | 0 | 0 | 105.6 | Y57 | C52-Y57 WeakPolarHBondContact SG-CD2 3.36Š| ||
| 53 | D | 34.8 | Very low | 31.7 | Very low | 70 Ų | 70 | 75.7 Ų | 75.7 | 37% | 0.374 | 49% | 0.492 | S | S | . | . | trans | -62.1 | 127.1 | 178.2 | -175.9 | -79.8 | 0 | 0 | 0 | 108.4 | M51 Y55 S56 Y57 | M51-D53 PolarHBondContact O-N 3.01Å; D53-Y55 PolarHBondContact O-N 3.35Å; D53-Y55 WeakPolarHBondContact OD1-CB 3.41Å; D53-Y55 WeakPolarHBondContact OD1-CD2 3.45Å; D53-Y55 PolarHBondContact OD1-N 2.86Å; D53-S56 PolarHBondContact O-N 3.34Å; D53-Y57 PolarHBondContact O-N 3.37Å | ||
| 54 | P | 33.4 | Very low | 31.8 | Very low | 58 Ų | 58 | 78.2 Ų | 78.2 | 38% | 0.377 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -47.9 | -30 | -176.9 | -15.1 | 11.6 | 0 | 0 | 0 | 114.1 | A58 M82 | P54-A58 WeakPolarHBondContact O-CB 3.41Å; P54-A58 PolarHBondContact O-N 2.85Å; P54-A58 VanDerWaalsContact O-N 3.11Å; P54-M82 HydrophobicContact CB-CE 3.21Å; P54-M82 HydrophobicContact CG-CE 3.48Å; P54-M82 VanDerWaalsContact CG-CE 3.48Å |
| 55 | Y | 35.3 | Very low | 31.9 | Very low | 95 Ų | 95 | 75.1 Ų | 75.1 | 37% | 0.373 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.9 | -39.5 | -173.7 | -55.8 | -125.1 | 0 | 0 | 0 | 110 | A22 A26 D53 Y57 V59 | A22-Y55 HydrophobicContact CB-CD1 4.25Å; A22-Y55 HydrophobicContact CB-CE1 3.2Å; A22-Y55 VanDerWaalsContact CB-CZ 3.41Å; A22-Y55 WeakPolarHBondContact CB-OH 3.46Å; A22-Y55 VanDerWaalsContact O-CD1 3.25Å; A22-Y55 WeakPolarHBondContact O-CD1 3.07Å; A22-Y55 VanDerWaalsContact O-CE1 3.29Å; A22-Y55 WeakPolarHBondContact O-CE1 3.05Å; A26-Y55 HydrophobicContact CB-CD1 3.9Å; A26-Y55 HydrophobicContact CB-CG 4.35Å; D53-Y55 PolarHBondContact O-N 3.35Å; D53-Y55 WeakPolarHBondContact OD1-CB 3.41Å; D53-Y55 WeakPolarHBondContact OD1-CD2 3.45Å; D53-Y55 PolarHBondContact OD1-N 2.86Å; Y55-Y57 VanDerWaalsContact C-N 3.26Å; Y55-Y57 PolarHBondContact O-N 3.49Å; Y55-V59 WeakPolarHBondContact O-CB 3.31Å; Y55-V59 WeakPolarHBondContact O-CG2 3.37Å; Y55-V59 PolarHBondContact O-N 3.03Å |
| 56 | S | 36.9 | Very low | 31.8 | Very low | 62 Ų | 62 | 75.1 Ų | 75.1 | 43% | 0.434 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -32.4 | 175.9 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | D53 A60 | D53-S56 PolarHBondContact O-N 3.34Å; S56-A60 WeakPolarHBondContact O-CB 3.48Å; S56-A60 PolarHBondContact O-N 2.82Å; S56-A60 VanDerWaalsContact O-N 3.15Å |
| 57 | Y | 35.5 | Very low | 32 | Very low | 78 Ų | 78 | 78.9 Ų | 78.9 | 31% | 0.306 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -80.8 | -43.3 | -178.7 | -147.1 | -101.9 | 0 | 0 | 0 | 112.4 | C52 D53 Y55 V59 A60 T61 P68 | C52-Y57 WeakPolarHBondContact SG-CD2 3.36Å; D53-Y57 PolarHBondContact O-N 3.37Å; Y55-Y57 VanDerWaalsContact C-N 3.26Å; Y55-Y57 PolarHBondContact O-N 3.49Å; Y57-V59 VanDerWaalsContact C-N 3.29Å; Y57-V59 PolarHBondContact O-N 3Å; Y57-A60 PolarHBondContact O-N 2.92Å; Y57-T61 PolarHBondContact O-N 3.2Å; Y57-T61 PolarHBondContact O-OG1 3.43Å; Y57-P68 HydrophobicContact CE1-CB 3.78Å; Y57-P68 HydrophobicContact CE1-CG 4.19Å; Y57-P68 VanDerWaalsContact OH-CB 3.28Å; Y57-P68 WeakPolarHBondContact OH-CB 3.28Å |
| 58 | A | 38.1 | Very low | 32.2 | Very low | 35 Ų | 35 | 76 Ų | 76 | 29% | 0.289 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.9 | -34.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P54 A62 | P54-A58 WeakPolarHBondContact O-CB 3.41Å; P54-A58 PolarHBondContact O-N 2.85Å; P54-A58 VanDerWaalsContact O-N 3.11Å; A58-A62 WeakPolarHBondContact O-CB 3.35Å; A58-A62 PolarHBondContact O-N 2.83Å |
| 59 | V | 36.5 | Very low | 32.3 | Very low | 20 Ų | 20 | 77.8 Ų | 77.8 | 12% | 0.121 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 173.9 | 161.2 | 0 | 0 | 0 | 0 | 112.1 | A26 A30 Y55 Y57 T61 A62 A63 | A26-V59 HydrophobicContact CB-CG2 3.59Å; A26-V59 WeakPolarHBondContact O-CG2 3.38Å; A30-V59 HydrophobicContact CB-CB 4.16Å; A30-V59 HydrophobicContact CB-CG1 3.3Å; A30-V59 HydrophobicContact CB-CG2 4.05Å; Y55-V59 WeakPolarHBondContact O-CB 3.31Å; Y55-V59 WeakPolarHBondContact O-CG2 3.37Å; Y55-V59 PolarHBondContact O-N 3.03Å; Y57-V59 VanDerWaalsContact C-N 3.29Å; Y57-V59 PolarHBondContact O-N 3Å; V59-T61 VanDerWaalsContact C-N 3.32Å; V59-T61 PolarHBondContact O-N 3.11Å; V59-A62 PolarHBondContact O-N 3.44Å; V59-A63 WeakPolarHBondContact O-CB 3.38Å; V59-A63 PolarHBondContact O-N 3.36Å |
| 60 | A | 36.6 | Very low | 32.4 | Very low | 23 Ų | 23 | 78.2 Ų | 78.2 | 19% | 0.19 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S56 Y57 Y64 | S56-A60 WeakPolarHBondContact O-CB 3.48Å; S56-A60 PolarHBondContact O-N 2.82Å; S56-A60 VanDerWaalsContact O-N 3.15Å; Y57-A60 PolarHBondContact O-N 2.92Å; A60-Y64 WeakPolarHBondContact O-CB 3.34Å; A60-Y64 PolarHBondContact O-N 3.42Å; A60-Y64 VanDerWaalsContact O-N 3.17Å |
| 61 | T | 38.1 | Very low | 32.3 | Very low | 30 Ų | 30 | 76.8 Ų | 76.8 | 18% | 0.184 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -72.5 | -37.4 | 177.2 | -57.9 | 0 | 0 | 0 | 0 | 112.8 | Y57 V59 G65 M66 | Y57-T61 PolarHBondContact O-N 3.2Å; Y57-T61 PolarHBondContact O-OG1 3.43Å; V59-T61 VanDerWaalsContact C-N 3.32Å; V59-T61 PolarHBondContact O-N 3.11Å; T61-G65 PolarHBondContact O-N 2.98Å; T61-M66 WeakPolarHBondContact CA-O 3.11Å; T61-M66 WeakPolarHBondContact CB-O 3.49Å; T61-M66 WeakPolarHBondContact CG2-O 3.45Å; T61-M66 PolarHBondContact OG1-O 2.88Å |
| 62 | A | 36 | Very low | 32.3 | Very low | 75 Ų | 75 | 71.5 Ų | 71.5 | 62% | 0.62 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -77.2 | -36.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A58 V59 | A58-A62 WeakPolarHBondContact O-CB 3.35Å; A58-A62 PolarHBondContact O-N 2.83Å; V59-A62 PolarHBondContact O-N 3.44Å |
| 63 | A | 32.1 | Very low | 32.1 | Very low | 49 Ų | 49 | 74.1 Ų | 74.1 | 41% | 0.405 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -86.6 | -28.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | A30 V59 | A30-A63 HydrophobicContact CB-CB 4.42Å; V59-A63 WeakPolarHBondContact O-CB 3.38Å; V59-A63 PolarHBondContact O-N 3.36Å |
| 64 | Y | 29.6 | Very low | 31.8 | Very low | 102 Ų | 102 | 77 Ų | 77 | 40% | 0.4 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -120.5 | 6.5 | -171.2 | -59.7 | -66.8 | 0 | 0 | 0 | 114.7 | P40 A60 M66 | P40-Y64 HydrophobicContact CB-CE1 4.23Å; P40-Y64 HydrophobicContact CB-CE2 4.17Å; P40-Y64 HydrophobicContact CG-CD1 3.56Å; P40-Y64 HydrophobicContact CG-CD2 4.19Å; P40-Y64 HydrophobicContact CG-CE1 3.02Å; P40-Y64 HydrophobicContact CG-CE2 3.71Å; P40-Y64 HydrophobicContact CG-CG 4.12Å; P40-Y64 WeakPolarHBondContact CG-OH 3.1Å; A60-Y64 WeakPolarHBondContact O-CB 3.34Å; A60-Y64 PolarHBondContact O-N 3.42Å; A60-Y64 VanDerWaalsContact O-N 3.17Å; Y64-M66 PolarHBondContact O-N 3.16Å |
| 65 | G | 27.8 | Very low | 31.4 | Very low | 64 Ų | 64 | 82.1 Ų | 82.1 | 66% | 0.66 | 49% | 0.487 | S | S | * | . | trans | 58.9 | 18.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | T61 L67 | T61-G65 PolarHBondContact O-N 2.98Å; G65-L67 VanDerWaalsContact C-N 3.35Å; G65-L67 PolarHBondContact O-N 2.89Å | ||
| 66 | M | 30.1 | Very low | 30.9 | Very low | 126 Ų | 126 | 82.7 Ų | 82.7 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | trans | -80.5 | 85.5 | -178.2 | -71.8 | -89.6 | 131 | 0 | 0 | 107.9 | T61 Y64 | T61-M66 WeakPolarHBondContact CA-O 3.11Å; T61-M66 WeakPolarHBondContact CB-O 3.49Å; T61-M66 WeakPolarHBondContact CG2-O 3.45Å; T61-M66 PolarHBondContact OG1-O 2.88Å; Y64-M66 PolarHBondContact O-N 3.16Å | ||
| 67 | L | 29.1 | Very low | 30.3 | Very low | 149 Ų | 149 | 83.7 Ų | 83.7 | 78% | 0.78 | 53% | 0.531 | S | S | * | . | trans | -57.2 | 131.2 | 160.1 | -82.2 | 152.3 | 0 | 0 | 0 | 107.6 | G65 N69 | G65-L67 VanDerWaalsContact C-N 3.35Å; G65-L67 PolarHBondContact O-N 2.89Å; L67-N69 PolarHBondContact O-N 3.43Å | ||
| 68 | P | 29.6 | Very low | 29.9 | Very low | 51 Ų | 51 | 83.4 Ų | 83.4 | 33% | 0.331 | 54% | 0.544 | S | S | . | . | trans | -57.1 | 116.6 | 174.6 | 22.6 | -31.4 | 0 | 0 | 0 | 108.8 | Y57 A70 | Y57-P68 HydrophobicContact CE1-CB 3.78Å; Y57-P68 HydrophobicContact CE1-CG 4.19Å; Y57-P68 VanDerWaalsContact OH-CB 3.28Å; Y57-P68 WeakPolarHBondContact OH-CB 3.28Å; P68-A70 PolarHBondContact O-N 2.95Å | ||
| 69 | N | 28.1 | Very low | 29.3 | Very low | 111 Ų | 111 | 82.7 Ų | 82.7 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | trans | -53.9 | 113 | 159 | 166.2 | 0.2 | 0 | 0 | 0 | 106 | L67 S71 A72 | L67-N69 PolarHBondContact O-N 3.43Å; N69-S71 PolarHBondContact O-N 3.32Å; N69-S71 WeakPolarHBondContact OD1-CA 3.22Å; N69-S71 WeakPolarHBondContact OD1-CB 2.97Å; N69-S71 PolarHBondContact OD1-N 3.04Å; N69-S71 PolarHBondContact OD1-OG 3.01Å; N69-A72 PolarHBondContact O-N 3.35Å | ||
| 70 | A | 27.9 | Very low | 28.8 | Very low | 88 Ų | 88 | 88.9 Ų | 88.9 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | 4.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | P68 | P68-A70 PolarHBondContact O-N 2.95Š|
| 71 | S | 26.5 | Very low | 28.4 | Very low | 97 Ų | 97 | 91.4 Ų | 91.4 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 0.8 | -175.2 | -39.9 | 0 | 0 | 0 | 0 | 114.9 | N69 | N69-S71 PolarHBondContact O-N 3.32Å; N69-S71 WeakPolarHBondContact OD1-CA 3.22Å; N69-S71 WeakPolarHBondContact OD1-CB 2.97Å; N69-S71 PolarHBondContact OD1-N 3.04Å; N69-S71 PolarHBondContact OD1-OG 3.01Å |
| 72 | A | 27.5 | Very low | 28 | Very low | 53 Ų | 53 | 93 Ų | 93 | 44% | 0.438 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -85.4 | 127.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | N69 Y74 | N69-A72 PolarHBondContact O-N 3.35Å; A72-Y74 WeakPolarHBondContact O-CD2 3.34Å; A72-Y74 PolarHBondContact O-N 3.38Å |
| 73 | P | 25.7 | Very low | 27.7 | Very low | 121 Ų | 121 | 91.4 Ų | 91.4 | 79% | 0.786 | 59% | 0.587 | S | S | * | * | trans | -64.7 | 99.6 | -167.5 | 24.9 | -33.2 | 0 | 0 | 0 | 111.3 | Q75 | P73-Q75 PolarHBondContact O-N 2.93Š| ||
| 74 | Y | 26.6 | Very low | 27.7 | Very low | 131 Ų | 131 | 91.1 Ų | 91.1 | 51% | 0.514 | 59% | 0.585 | S | S | . | * | trans | -55.9 | 99.9 | 160.4 | -76.5 | -93.8 | 0 | 0 | 0 | 108 | A72 A76 | A72-Y74 WeakPolarHBondContact O-CD2 3.34Å; A72-Y74 PolarHBondContact O-N 3.38Å; Y74-A76 PolarHBondContact O-N 3.41Å | ||
| 75 | Q | 26.5 | Very low | 27.9 | Very low | 165 Ų | 165 | 87.9 Ų | 87.9 | 77% | 0.771 | 58% | 0.579 | S | S | * | * | trans | -66.4 | 128.2 | 170.4 | -70.5 | -158.2 | -5.2 | 0 | 0 | 109.2 | P73 | P73-Q75 PolarHBondContact O-N 2.93Š| ||
| 76 | A | 24.6 | Very low | 28.3 | Very low | 107 Ų | 107 | 87.2 Ų | 87.2 | 88% | 0.884 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | 136.1 | -163.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y74 | Y74-A76 PolarHBondContact O-N 3.41Š|
| 77 | G | 24.8 | Very low | 28.4 | Very low | 82 Ų | 82 | 87.9 Ų | 87.9 | 85% | 0.845 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.3 | -32.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 78 | A | 25.6 | Very low | 28.5 | Very low | 72 Ų | 72 | 86.5 Ų | 86.5 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -101.1 | -18.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M82 | A78-M82 WeakPolarHBondContact O-CB 3.01Š|
| 79 | G | 26.4 | Very low | 28.7 | Very low | 20 Ų | 20 | 86.3 Ų | 86.3 | 21% | 0.206 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -75.9 | -21.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | A83 | G79-A83 WeakPolarHBondContact O-CB 3.46Å; G79-A83 PolarHBondContact O-N 2.87Å; G79-A83 VanDerWaalsContact O-N 3.09Å |
| 80 | N | 25.7 | Very low | 29 | Very low | 150 Ų | 150 | 86.8 Ų | 86.8 | 80% | 0.802 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -78.7 | -39.5 | -175.8 | -115 | 26 | 0 | 0 | 0 | 113 | M82 A84 | N80-M82 VanDerWaalsContact C-N 3.31Å; N80-A84 PolarHBondContact O-N 2.77Å |
| 81 | A | 28.4 | Very low | 29.1 | Very low | 76 Ų | 76 | 86.8 Ų | 86.8 | 63% | 0.628 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.4 | -32 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A84 A85 | A81-A84 PolarHBondContact O-N 2.97Å; A81-A85 PolarHBondContact O-N 3.34Å |
| 82 | M | 28.6 | Very low | 29.4 | Very low | 63 Ų | 63 | 85.7 Ų | 85.7 | 31% | 0.31 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -73.9 | -41.9 | -178.1 | -162.9 | 176.5 | -157.5 | 0 | 0 | 112.3 | P54 A78 N80 A84 A85 I86 | P54-M82 HydrophobicContact CB-CE 3.21Å; P54-M82 HydrophobicContact CG-CE 3.48Å; P54-M82 VanDerWaalsContact CG-CE 3.48Å; A78-M82 WeakPolarHBondContact O-CB 3.01Å; N80-M82 VanDerWaalsContact C-N 3.31Å; M82-A84 VanDerWaalsContact C-N 3.27Å; M82-A84 PolarHBondContact O-N 3.39Å; M82-A85 PolarHBondContact O-N 3.45Å; M82-I86 HydrophobicContact CG-CD1 4.28Å; M82-I86 WeakPolarHBondContact O-CB 3.38Å; M82-I86 WeakPolarHBondContact O-CD1 3.38Å; M82-I86 VanDerWaalsContact O-CG1 3.23Å; M82-I86 WeakPolarHBondContact O-CG1 3.4Å; M82-I86 PolarHBondContact O-N 3.02Å |
| 83 | A | 30.1 | Very low | 29.6 | Very low | 43 Ų | 43 | 88.2 Ų | 88.2 | 36% | 0.355 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G79 Q87 | G79-A83 WeakPolarHBondContact O-CB 3.46Å; G79-A83 PolarHBondContact O-N 2.87Å; G79-A83 VanDerWaalsContact O-N 3.09Å; A83-Q87 WeakPolarHBondContact O-CB 3.44Å; A83-Q87 VanDerWaalsContact O-CG 3.31Å; A83-Q87 WeakPolarHBondContact O-CG 3.35Å; A83-Q87 PolarHBondContact O-N 3.17Å |
| 84 | A | 31.6 | Very low | 30 | Very low | 43 Ų | 43 | 85.6 Ų | 85.6 | 36% | 0.355 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.1 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N80 A81 M82 Q87 Q88 | N80-A84 PolarHBondContact O-N 2.77Å; A81-A84 PolarHBondContact O-N 2.97Å; M82-A84 VanDerWaalsContact C-N 3.27Å; M82-A84 PolarHBondContact O-N 3.39Å; A84-Q87 PolarHBondContact O-N 3.19Å; A84-Q88 WeakPolarHBondContact O-CB 3.04Å; A84-Q88 WeakPolarHBondContact O-CG 2.9Å; A84-Q88 PolarHBondContact O-N 2.95Å |
| 85 | A | 33.9 | Very low | 30.6 | Very low | 34 Ų | 34 | 81.9 Ų | 81.9 | 28% | 0.281 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A81 M82 Q88 A89 | A81-A85 PolarHBondContact O-N 3.34Å; M82-A85 PolarHBondContact O-N 3.45Å; A85-Q88 PolarHBondContact O-N 3.06Å; A85-A89 PolarHBondContact O-N 3.39Å |
| 86 | I | 36.2 | Very low | 31.2 | Very low | 50 Ų | 50 | 76.1 Ų | 76.1 | 26% | 0.256 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -46.5 | 174.8 | -67.7 | 167.1 | 0 | 0 | 0 | 110.2 | M82 Q88 A89 F90 | M82-I86 HydrophobicContact CG-CD1 4.28Å; M82-I86 WeakPolarHBondContact O-CB 3.38Å; M82-I86 WeakPolarHBondContact O-CD1 3.38Å; M82-I86 VanDerWaalsContact O-CG1 3.23Å; M82-I86 WeakPolarHBondContact O-CG1 3.4Å; M82-I86 PolarHBondContact O-N 3.02Å; I86-Q88 VanDerWaalsContact C-N 3.31Å; I86-Q88 PolarHBondContact O-N 2.91Å; I86-A89 PolarHBondContact O-N 3.49Å; I86-F90 HydrophobicContact CG2-CD2 3.68Å; I86-F90 HydrophobicContact CG2-CE2 3.46Å; I86-F90 VanDerWaalsContact CG2-CE2 3.46Å; I86-F90 WeakPolarHBondContact O-CD2 3.49Å; I86-F90 PolarHBondContact O-N 2.88Å |
| 87 | Q | 34 | Very low | 31.7 | Very low | 139 Ų | 139 | 73.6 Ų | 73.6 | 65% | 0.65 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.6 | -34.7 | 174.7 | -77.6 | 175.6 | 13.8 | 0 | 0 | 113.1 | A83 A84 F90 S91 | A83-Q87 WeakPolarHBondContact O-CB 3.44Å; A83-Q87 VanDerWaalsContact O-CG 3.31Å; A83-Q87 WeakPolarHBondContact O-CG 3.35Å; A83-Q87 PolarHBondContact O-N 3.17Å; A84-Q87 PolarHBondContact O-N 3.19Å; Q87-F90 PolarHBondContact O-N 3.02Å; Q87-S91 PolarHBondContact O-N 3.31Å; Q87-S91 VanDerWaalsContact O-N 3.1Å; Q87-S91 PolarHBondContact O-OG 3.09Å |
| 88 | Q | 30.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 72.3 Ų | 72.3 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -69.3 | -36.4 | 174.4 | -81.1 | -176.2 | 22.5 | 0 | 0 | 113 | A84 A85 I86 S91 | A84-Q88 WeakPolarHBondContact O-CB 3.04Å; A84-Q88 WeakPolarHBondContact O-CG 2.9Å; A84-Q88 PolarHBondContact O-N 2.95Å; A85-Q88 PolarHBondContact O-N 3.06Å; I86-Q88 VanDerWaalsContact C-N 3.31Å; I86-Q88 PolarHBondContact O-N 2.91Å; Q88-S91 VanDerWaalsContact CA-OG 3.24Å; Q88-S91 WeakPolarHBondContact CA-OG 3.29Å; Q88-S91 PolarHBondContact O-N 2.99Å; Q88-S91 PolarHBondContact O-OG 3.28Å; Q88-S91 VanDerWaalsContact O-OG 3.12Å |
| 89 | A | 33.3 | Very low | 33.2 | Very low | 47 Ų | 47 | 70 Ų | 70 | 39% | 0.388 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.3 | -36.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A85 I86 | A85-A89 PolarHBondContact O-N 3.39Å; I86-A89 PolarHBondContact O-N 3.49Å |
| 90 | F | 34.8 | Very low | 33.8 | Very low | 121 Ų | 121 | 75.3 Ų | 75.3 | 53% | 0.531 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -75.7 | -18.2 | 175 | -77.5 | -65.7 | 0 | 0 | 0 | 114.4 | I86 Q87 N92 | I86-F90 HydrophobicContact CG2-CD2 3.68Å; I86-F90 HydrophobicContact CG2-CE2 3.46Å; I86-F90 VanDerWaalsContact CG2-CE2 3.46Å; I86-F90 WeakPolarHBondContact O-CD2 3.49Å; I86-F90 PolarHBondContact O-N 2.88Å; Q87-F90 PolarHBondContact O-N 3.02Å; F90-N92 VanDerWaalsContact C-N 3.33Å |
| 91 | S | 30.7 | Very low | 34.4 | Very low | 88 Ų | 88 | 74.8 Ų | 74.8 | 62% | 0.615 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -2.4 | 178.4 | 31.7 | 0 | 0 | 0 | 0 | 113.7 | Q87 Q88 | Q87-S91 PolarHBondContact O-N 3.31Å; Q87-S91 VanDerWaalsContact O-N 3.1Å; Q87-S91 PolarHBondContact O-OG 3.09Å; Q88-S91 VanDerWaalsContact CA-OG 3.24Å; Q88-S91 WeakPolarHBondContact CA-OG 3.29Å; Q88-S91 PolarHBondContact O-N 2.99Å; Q88-S91 PolarHBondContact O-OG 3.28Å; Q88-S91 VanDerWaalsContact O-OG 3.12Å |
| 92 | N | 32 | Very low | 34.8 | Very low | 74 Ų | 74 | 72.8 Ų | 72.8 | 40% | 0.396 | 44% | 0.444 | S | S | . | . | trans | -116.4 | 100.5 | 170.8 | -166.6 | -25.4 | 0 | 0 | 0 | 111.4 | F90 A94 V95 A96 | F90-N92 VanDerWaalsContact C-N 3.33Å; N92-A94 PolarHBondContact O-N 3.07Å; N92-A94 VanDerWaalsContact O-N 3.11Å; N92-A94 WeakPolarHBondContact OD1-CB 3.47Å; N92-A94 PolarHBondContact OD1-N 3.36Å; N92-A94 VanDerWaalsContact OD1-N 3.1Å; N92-V95 HydrophobicContact CB-CB 4.12Å; N92-V95 HydrophobicContact CB-CG2 3.79Å; N92-V95 PolarHBondContact O-N 3Å; N92-A96 PolarHBondContact O-N 2.96Å; N92-A96 VanDerWaalsContact O-N 3.15Å | ||
| 93 | P | 31.7 | Very low | 35.2 | Very low | 105 Ų | 105 | 70.4 Ų | 70.4 | 68% | 0.682 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.3 | -23.9 | -178.5 | 20.5 | -30.2 | 0 | 0 | 0 | 113.6 | A97 | P93-A97 WeakPolarHBondContact O-CB 2.97Å; P93-A97 PolarHBondContact O-N 3.06Å |
| 94 | A | 34.9 | Very low | 35.4 | Very low | 67 Ų | 67 | 71.3 Ų | 71.3 | 55% | 0.554 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -71.8 | -33.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N92 A98 | N92-A94 PolarHBondContact O-N 3.07Å; N92-A94 VanDerWaalsContact O-N 3.11Å; N92-A94 WeakPolarHBondContact OD1-CB 3.47Å; N92-A94 PolarHBondContact OD1-N 3.36Å; N92-A94 VanDerWaalsContact OD1-N 3.1Å; A94-A98 VanDerWaalsContact O-CB 3.28Å; A94-A98 WeakPolarHBondContact O-CB 3.38Å; A94-A98 PolarHBondContact O-N 3.46Å |
| 95 | V | 38.4 | Very low | 35.5 | Very low | 53 Ų | 53 | 71.9 Ų | 71.9 | 32% | 0.321 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -74.4 | -41.1 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | N92 A98 A99 | N92-V95 HydrophobicContact CB-CB 4.12Å; N92-V95 HydrophobicContact CB-CG2 3.79Å; N92-V95 PolarHBondContact O-N 3Å; V95-A98 PolarHBondContact O-N 2.91Å; V95-A99 WeakPolarHBondContact O-CB 3.13Å; V95-A99 PolarHBondContact O-N 3.45Å |
| 96 | A | 38.1 | Very low | 35.4 | Very low | 44 Ų | 44 | 71 Ų | 71 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N92 L100 | N92-A96 PolarHBondContact O-N 2.96Å; N92-A96 VanDerWaalsContact O-N 3.15Å; A96-L100 WeakPolarHBondContact O-CB 3.01Å; A96-L100 PolarHBondContact O-N 2.91Å |
| 97 | A | 36.4 | Very low | 35 | Very low | 53 Ų | 53 | 72.5 Ų | 72.5 | 44% | 0.438 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P93 L100 Q101 | P93-A97 WeakPolarHBondContact O-CB 2.97Å; P93-A97 PolarHBondContact O-N 3.06Å; A97-L100 PolarHBondContact O-N 3.27Å; A97-Q101 VanDerWaalsContact O-CB 3.31Å; A97-Q101 WeakPolarHBondContact O-CB 3.25Å; A97-Q101 PolarHBondContact O-N 3.1Å |
| 98 | A | 40 | Very low | 34.7 | Very low | 55 Ų | 55 | 69.9 Ų | 69.9 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A94 V95 Q101 A102 | A94-A98 VanDerWaalsContact O-CB 3.28Å; A94-A98 WeakPolarHBondContact O-CB 3.38Å; A94-A98 PolarHBondContact O-N 3.46Å; V95-A98 PolarHBondContact O-N 2.91Å; A98-Q101 PolarHBondContact O-N 3.03Å; A98-A102 WeakPolarHBondContact O-CB 3.22Å; A98-A102 PolarHBondContact O-N 3.48Å |
| 99 | A | 40.4 | Very low | 34.5 | Very low | 24 Ų | 24 | 69.7 Ų | 69.7 | 20% | 0.198 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | A23 A27 V95 Q101 A102 A103 | A23-A99 HydrophobicContact CB-CB 4.35Å; A27-A99 HydrophobicContact CB-CB 4.47Å; A27-A99 WeakPolarHBondContact CB-O 3.37Å; V95-A99 WeakPolarHBondContact O-CB 3.13Å; V95-A99 PolarHBondContact O-N 3.45Å; A99-Q101 VanDerWaalsContact C-N 3.31Å; A99-Q101 PolarHBondContact O-N 3.06Å; A99-A102 PolarHBondContact O-N 2.95Å; A99-A103 PolarHBondContact O-N 3.15Å |
| 100 | L | 39 | Very low | 34.1 | Very low | 131 Ų | 131 | 70.7 Ų | 70.7 | 69% | 0.686 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.9 | -37 | 177.9 | -167.4 | 69.2 | 0 | 0 | 0 | 112.6 | A96 A97 A103 A104 | A96-L100 WeakPolarHBondContact O-CB 3.01Å; A96-L100 PolarHBondContact O-N 2.91Å; A97-L100 PolarHBondContact O-N 3.27Å; L100-A103 WeakPolarHBondContact O-CB 2.92Å; L100-A103 PolarHBondContact O-N 3.12Å; L100-A104 PolarHBondContact O-N 2.98Å |
| 101 | Q | 38.3 | Very low | 33.8 | Very low | 140 Ų | 140 | 69.5 Ų | 69.5 | 65% | 0.654 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -73.3 | -37.1 | 178.9 | -167.5 | 164.5 | 20.5 | 0 | 0 | 112.5 | A97 A98 A99 A103 A104 A105 | A97-Q101 VanDerWaalsContact O-CB 3.31Å; A97-Q101 WeakPolarHBondContact O-CB 3.25Å; A97-Q101 PolarHBondContact O-N 3.1Å; A98-Q101 PolarHBondContact O-N 3.03Å; A99-Q101 VanDerWaalsContact C-N 3.31Å; A99-Q101 PolarHBondContact O-N 3.06Å; Q101-A103 VanDerWaalsContact C-N 3.35Å; Q101-A104 PolarHBondContact O-N 3.19Å; Q101-A105 PolarHBondContact O-N 3.4Å; Q101-A105 VanDerWaalsContact O-N 3.12Å |
| 102 | A | 38.5 | Very low | 33.5 | Very low | 33 Ų | 33 | 69.7 Ų | 69.7 | 27% | 0.273 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A24 A27 A98 A99 A105 A106 | A24-A102 HydrophobicContact CB-CB 4.04Å; A27-A102 HydrophobicContact CB-CB 4.48Å; A98-A102 WeakPolarHBondContact O-CB 3.22Å; A98-A102 PolarHBondContact O-N 3.48Å; A99-A102 PolarHBondContact O-N 2.95Å; A102-A105 PolarHBondContact O-N 3.19Å; A102-A106 PolarHBondContact O-N 3.44Å |
| 103 | A | 36.8 | Very low | 33.4 | Very low | 14 Ų | 14 | 71.4 Ų | 71.4 | 12% | 0.116 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A27 S31 A99 L100 Q101 A105 A106 N107 | A27-A103 HydrophobicContact CB-CB 3.7Å; A27-A103 VanDerWaalsContact O-CA 3.27Å; A27-A103 WeakPolarHBondContact O-CA 3.3Å; A27-A103 WeakPolarHBondContact O-CB 3.4Å; S31-A103 WeakPolarHBondContact CB-O 3.27Å; S31-A103 PolarHBondContact OG-O 3.43Å; A99-A103 PolarHBondContact O-N 3.15Å; L100-A103 WeakPolarHBondContact O-CB 2.92Å; L100-A103 PolarHBondContact O-N 3.12Å; Q101-A103 VanDerWaalsContact C-N 3.35Å; A103-A105 VanDerWaalsContact C-N 3.31Å; A103-A105 PolarHBondContact O-N 3.2Å; A103-A106 PolarHBondContact O-N 3.48Å; A103-N107 PolarHBondContact O-N 3.4Å |
| 104 | A | 34.1 | Very low | 33 | Very low | 61 Ų | 61 | 71.1 Ų | 71.1 | 50% | 0.504 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.6 | -36.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L100 Q101 N107 A108 | L100-A104 PolarHBondContact O-N 2.98Å; Q101-A104 PolarHBondContact O-N 3.19Å; A104-N107 PolarHBondContact O-N 3.3Å; A104-A108 PolarHBondContact O-N 3.49Å |
| 105 | A | 32.8 | Very low | 32.5 | Very low | 55 Ų | 55 | 74 Ų | 74 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.6 | -32.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q101 A102 A103 N109 | Q101-A105 PolarHBondContact O-N 3.4Å; Q101-A105 VanDerWaalsContact O-N 3.12Å; A102-A105 PolarHBondContact O-N 3.19Å; A103-A105 VanDerWaalsContact C-N 3.31Å; A103-A105 PolarHBondContact O-N 3.2Å; A105-N109 PolarHBondContact O-ND2 3.32Å |
| 106 | A | 32.9 | Very low | 31.9 | Very low | 15 Ų | 15 | 77.2 Ų | 77.2 | 12% | 0.124 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -71.4 | -37.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A28 A102 A103 N109 F113 | A28-A106 HydrophobicContact CB-CB 3.66Å; A102-A106 PolarHBondContact O-N 3.44Å; A103-A106 PolarHBondContact O-N 3.48Å; A106-N109 PolarHBondContact O-N 3.23Å; A106-F113 HydrophobicContact CB-CZ 4.25Å |
| 107 | N | 28.1 | Very low | 31.4 | Very low | 83 Ų | 83 | 79.9 Ų | 79.9 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 176.2 | -153.6 | -18.2 | 0 | 0 | 0 | 112.7 | S31 A103 A104 N109 G110 | S31-N107 PolarHBondContact O-ND2 2.66Å; S31-N107 PolarHBondContact O-OD1 3.07Å; S31-N107 WeakPolarHBondContact OG-CB 3.23Å; S31-N107 PolarHBondContact OG-ND2 3.18Å; A103-N107 PolarHBondContact O-N 3.4Å; A104-N107 PolarHBondContact O-N 3.3Å; N107-N109 PolarHBondContact O-N 3.44Å; N107-N109 VanDerWaalsContact O-N 3.14Å; N107-G110 PolarHBondContact O-N 3.05Å |
| 108 | A | 26.2 | Very low | 31 | Very low | 83 Ų | 83 | 81.6 Ų | 81.6 | 69% | 0.686 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A104 | A104-A108 PolarHBondContact O-N 3.49Š|
| 109 | N | 26.2 | Very low | 30.4 | Very low | 118 Ų | 118 | 83.6 Ų | 83.6 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 6.4 | -174 | -74.2 | -65 | 0 | 0 | 0 | 114.5 | A105 A106 N107 I111 | A105-N109 PolarHBondContact O-ND2 3.32Å; A106-N109 PolarHBondContact O-N 3.23Å; N107-N109 PolarHBondContact O-N 3.44Å; N107-N109 VanDerWaalsContact O-N 3.14Å; N109-I111 HydrophobicContact CB-CD1 3.81Å; N109-I111 HydrophobicContact CB-CG1 3.6Å; N109-I111 PolarHBondContact O-N 3.14Å; N109-I111 VanDerWaalsContact O-N 3.09Å |
| 110 | G | 25.6 | Very low | 29.7 | Very low | 68 Ų | 68 | 88.6 Ų | 88.6 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.2 | 27.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N107 P112 | N107-G110 PolarHBondContact O-N 3.05Å; G110-P112 VanDerWaalsContact O-CD 3.27Å; G110-P112 WeakPolarHBondContact O-CD 3.03Å |
| 111 | I | 27.9 | Very low | 29.3 | Very low | 95 Ų | 95 | 84 Ų | 84 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | trans | -75.2 | 116.7 | -171.6 | -47.2 | 178.2 | 0 | 0 | 0 | 109 | N109 F113 | N109-I111 HydrophobicContact CB-CD1 3.81Å; N109-I111 HydrophobicContact CB-CG1 3.6Å; N109-I111 PolarHBondContact O-N 3.14Å; N109-I111 VanDerWaalsContact O-N 3.09Å; I111-F113 PolarHBondContact O-N 3.01Å | ||
| 112 | P | 25.7 | Very low | 29.1 | Very low | 92 Ų | 92 | 81.7 Ų | 81.7 | 60% | 0.597 | 54% | 0.537 | S | S | * | . | trans | -67.6 | 132.2 | 170.6 | 26.4 | -30.3 | 0 | 0 | 0 | 109.6 | G110 T114 | G110-P112 VanDerWaalsContact O-CD 3.27Å; G110-P112 WeakPolarHBondContact O-CD 3.03Å; P112-T114 PolarHBondContact O-N 3.25Å | ||
| 113 | F | 29.4 | Very low | 28.8 | Very low | 110 Ų | 110 | 85.6 Ų | 85.6 | 48% | 0.482 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -70.1 | 43.9 | 177.9 | -78.1 | -78.3 | 0 | 0 | 0 | 113.9 | A28 A106 I111 | A28-F113 VanDerWaalsContact CA-CZ 3.47Å; A28-F113 HydrophobicContact CB-CE1 3.22Å; A28-F113 HydrophobicContact CB-CZ 3.31Å; A28-F113 WeakPolarHBondContact O-CE2 3.21Å; A28-F113 WeakPolarHBondContact O-CZ 3.48Å; A106-F113 HydrophobicContact CB-CZ 4.25Å; I111-F113 PolarHBondContact O-N 3.01Å |
| 114 | T | 23.6 | Very low | 28.6 | Very low | 99 Ų | 99 | 90.8 Ų | 90.8 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | trans | -115.8 | 116.3 | 178.8 | 58.6 | 0 | 0 | 0 | 0 | 108.2 | P112 | P112-T114 PolarHBondContact O-N 3.25Š| ||
| 115 | T | 24.8 | Very low | 28.6 | Very low | 127 Ų | 127 | 91.9 Ų | 91.9 | 78% | 0.779 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 84.3 | 115.6 | -174.4 | 75.6 | 0 | 0 | 0 | 0 | 115.2 | P117 | T115-P117 WeakPolarHBondContact O-CD 3.07Å; T115-P117 WeakPolarHBondContact O-CG 3.47Å |
| 116 | S | 25.3 | Very low | 28.8 | Very low | 121 Ų | 121 | 91.7 Ų | 91.7 | 85% | 0.846 | 56% | 0.562 | S | S | * | * | trans | -62.4 | 114.6 | 168.2 | -89.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 117 | P | 27.3 | Very low | 28.7 | Very low | 101 Ų | 101 | 94.2 Ų | 94.2 | 66% | 0.656 | 59% | 0.59 | S | S | * | * | trans | -95.9 | -1.3 | -178.9 | -0.2 | 21.6 | 0 | 0 | 0 | 113.7 | T115 A119 T120 | T115-P117 WeakPolarHBondContact O-CD 3.07Å; T115-P117 WeakPolarHBondContact O-CG 3.47Å; P117-A119 PolarHBondContact O-N 3.32Å; P117-T120 PolarHBondContact O-N 3.09Å | ||
| 118 | M | 28.5 | Very low | 28.9 | Very low | 88 Ų | 88 | 96.6 Ų | 96.6 | 43% | 0.433 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.9 | 0.1 | -178.1 | -73.1 | -160.7 | 72 | 0 | 0 | 114.4 | N21 T120 Y123 | N21-M118 HydrophobicContact CB-CE 4.05Å; N21-M118 HydrophobicContact CB-SD 3.9Å; N21-M118 WeakPolarHBondContact OD1-CE 3.39Å; M118-T120 PolarHBondContact O-N 3.46Å; M118-Y123 HydrophobicContact CE-CD2 4.33Å; M118-Y123 HydrophobicContact CE-CE2 4.25Å |
| 119 | A | 27.6 | Very low | 29.1 | Very low | 98 Ų | 98 | 95.9 Ų | 95.9 | 81% | 0.81 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P117 | P117-A119 PolarHBondContact O-N 3.32Š|
| 120 | T | 26.1 | Very low | 29.3 | Very low | 129 Ų | 129 | 95.8 Ų | 95.8 | 79% | 0.791 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -136.7 | 4.1 | -169 | -27.8 | 0 | 0 | 0 | 0 | 116.1 | P117 M118 | P117-T120 PolarHBondContact O-N 3.09Å; M118-T120 PolarHBondContact O-N 3.46Å |
| 121 | A | 30.2 | Very low | 29.9 | Very low | 33 Ų | 33 | 97.4 Ų | 97.4 | 27% | 0.273 | 59% | 0.591 | S | S | . | * | trans | -116.5 | 112.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y123 | A121-Y123 HydrophobicContact CB-CD2 4.16Å; A121-Y123 HydrophobicContact CB-CE2 3.53Å; A121-Y123 WeakPolarHBondContact O-CD2 3.24Å; A121-Y123 PolarHBondContact O-N 2.99Å | ||
| 122 | T | 32.6 | Very low | 30.1 | Very low | 93 Ų | 93 | 97.8 Ų | 97.8 | 57% | 0.571 | 59% | 0.591 | S | S | * | * | trans | -77 | 108.4 | 172.9 | -48.8 | 0 | 0 | 0 | 0 | 108.7 | A134 | T122-A134 HydrophobicContact CG2-CB 4.27Å; T122-A134 WeakPolarHBondContact O-CB 3.35Å; T122-A134 PolarHBondContact O-N 3.31Å | ||
| 123 | Y | 33.9 | Very low | 30.7 | Very low | 114 Ų | 114 | 96.5 Ų | 96.5 | 45% | 0.447 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.3 | 170.7 | -67.7 | -90.7 | 0 | 0 | 0 | 109.5 | M118 A121 Q132 N133 | M118-Y123 HydrophobicContact CE-CD2 4.33Å; M118-Y123 HydrophobicContact CE-CE2 4.25Å; A121-Y123 HydrophobicContact CB-CD2 4.16Å; A121-Y123 HydrophobicContact CB-CE2 3.53Å; A121-Y123 WeakPolarHBondContact O-CD2 3.24Å; A121-Y123 PolarHBondContact O-N 2.99Å; Y123-Q132 CarbonylContact C-O 3.57Å; Y123-Q132 WeakPolarHBondContact CA-O 2.85Å; Y123-N133 HydrophobicContact CD1-CB 4.31Å; Y123-N133 HydrophobicContact CE1-CB 4.09Å |
| 124 | Q | 32.2 | Very low | 31.2 | Very low | 124 Ų | 124 | 93.6 Ų | 93.6 | 58% | 0.579 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 138.4 | 175.4 | -74.5 | 177.1 | -8.7 | 0 | 0 | 110.1 | Q132 A134 | Q124-Q132 PolarHBondContact N-O 3.38Å; Q124-Q132 PolarHBondContact O-N 3.07Å; Q124-A134 HydrophobicContact CB-CB 4.42Å; Q124-A134 HydrophobicContact CG-CB 3.86Å |
| 125 | S | 34.3 | Very low | 32 | Very low | 84 Ų | 84 | 93.7 Ų | 93.7 | 59% | 0.587 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 134.3 | 172.8 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | G127 | S125-G127 VanDerWaalsContact C-N 3.3Å; S125-G127 PolarHBondContact O-N 3.39Å |
| 126 | N | 37.2 | Very low | 32.6 | Very low | 50 Ų | 50 | 90.5 Ų | 90.5 | 27% | 0.267 | 56% | 0.562 | S | S | . | * | trans | -89.3 | 17.5 | -178 | 76.3 | -17.2 | 0 | 0 | 0 | 115.2 | N128 Q130 Q132 | N126-N128 PolarHBondContact O-N 2.98Å; N126-N128 VanDerWaalsContact O-N 3.11Å; N126-N128 WeakPolarHBondContact OD1-CA 3.07Å; N126-N128 WeakPolarHBondContact OD1-CB 3.19Å; N126-N128 PolarHBondContact OD1-N 3.45Å; N126-Q130 PolarHBondContact N-O 2.88Å; N126-Q130 VanDerWaalsContact N-O 3.08Å; N126-Q130 WeakPolarHBondContact OD1-CB 3.1Å; N126-Q130 PolarHBondContact OD1-N 3.14Å; N126-Q130 VanDerWaalsContact OD1-N 3.1Å; N126-Q130 PolarHBondContact OD1-O 3.14Å; N126-Q132 VanDerWaalsContact CB-CD 3.41Å; N126-Q132 HydrophobicContact CB-CG 3.91Å; N126-Q132 PolarHBondContact ND2-NE2 2.8Å; N126-Q132 VanDerWaalsContact ND2-NE2 3.15Å | ||
| 127 | G | 30.8 | Very low | 32.8 | Very low | 69 Ų | 69 | 89.3 Ų | 89.3 | 71% | 0.711 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 74.1 | -9.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | S125 | S125-G127 VanDerWaalsContact C-N 3.3Å; S125-G127 PolarHBondContact O-N 3.39Å |
| 128 | N | 31.4 | Very low | 33 | Very low | 133 Ų | 133 | 87.7 Ų | 87.7 | 71% | 0.711 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -109.9 | 15.7 | 178.2 | -63 | -27.5 | 0 | 0 | 0 | 112.9 | N126 Q130 | N126-N128 PolarHBondContact O-N 2.98Å; N126-N128 VanDerWaalsContact O-N 3.11Å; N126-N128 WeakPolarHBondContact OD1-CA 3.07Å; N126-N128 WeakPolarHBondContact OD1-CB 3.19Å; N126-N128 PolarHBondContact OD1-N 3.45Å; N128-Q130 PolarHBondContact O-N 3.46Å |
| 129 | G | 30 | Very low | 33.2 | Very low | 67 Ų | 67 | 86.9 Ų | 86.9 | 69% | 0.691 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 72.2 | 14.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 130 | Q | 31.7 | Very low | 33.6 | Very low | 117 Ų | 117 | 87.2 Ų | 87.2 | 55% | 0.547 | 54% | 0.543 | S | S | . | . | trans | -100.2 | 136 | 173.2 | -52.6 | -76.2 | -49.3 | 0 | 0 | 109.6 | N126 N128 | N126-Q130 PolarHBondContact N-O 2.88Å; N126-Q130 VanDerWaalsContact N-O 3.08Å; N126-Q130 WeakPolarHBondContact OD1-CB 3.1Å; N126-Q130 PolarHBondContact OD1-N 3.14Å; N126-Q130 VanDerWaalsContact OD1-N 3.1Å; N126-Q130 PolarHBondContact OD1-O 3.14Å; N128-Q130 PolarHBondContact O-N 3.46Å | ||
| 131 | L | 36.5 | Very low | 34 | Very low | 101 Ų | 101 | 87 Ų | 87 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 123 | 174 | -63.4 | 172.4 | 0 | 0 | 0 | 109.4 | ||
| 132 | Q | 32.2 | Very low | 34.2 | Very low | 104 Ų | 104 | 94.5 Ų | 94.5 | 49% | 0.486 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.4 | 175.6 | -62.2 | -175.6 | -0.8 | 0 | 0 | 109.7 | Y123 Q124 N126 A134 | Y123-Q132 CarbonylContact C-O 3.57Å; Y123-Q132 WeakPolarHBondContact CA-O 2.85Å; Q124-Q132 PolarHBondContact N-O 3.38Å; Q124-Q132 PolarHBondContact O-N 3.07Å; N126-Q132 VanDerWaalsContact CB-CD 3.41Å; N126-Q132 HydrophobicContact CB-CG 3.91Å; N126-Q132 PolarHBondContact ND2-NE2 2.8Å; N126-Q132 VanDerWaalsContact ND2-NE2 3.15Å; Q132-A134 PolarHBondContact O-N 3.23Å |
| 133 | N | 38.4 | Very low | 34.2 | Very low | 65 Ų | 65 | 98.6 Ų | 98.6 | 35% | 0.348 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.6 | 111.5 | 174.3 | 178.9 | -7.4 | 0 | 0 | 0 | 108.9 | Y123 T135 A136 | Y123-N133 HydrophobicContact CD1-CB 4.31Å; Y123-N133 HydrophobicContact CE1-CB 4.09Å; N133-T135 PolarHBondContact O-N 3.48Å; N133-T135 WeakPolarHBondContact OD1-CA 3.38Å; N133-T135 WeakPolarHBondContact OD1-CB 3.27Å; N133-T135 PolarHBondContact OD1-N 3.2Å; N133-T135 PolarHBondContact OD1-OG1 3.09Å; N133-A136 HydrophobicContact CB-CB 3.82Å; N133-A136 PolarHBondContact O-N 3.22Å; N133-A136 VanDerWaalsContact O-N 3.09Å; N133-A136 PolarHBondContact OD1-N 2.79Å |
| 134 | A | 40.9 | Very low | 34.5 | Very low | 48 Ų | 48 | 106 Ų | 106 | 40% | 0.397 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.2 | -7.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T122 Q124 Q132 | T122-A134 HydrophobicContact CG2-CB 4.27Å; T122-A134 WeakPolarHBondContact O-CB 3.35Å; T122-A134 PolarHBondContact O-N 3.31Å; Q124-A134 HydrophobicContact CB-CB 4.42Å; Q124-A134 HydrophobicContact CG-CB 3.86Å; Q132-A134 PolarHBondContact O-N 3.23Å |
| 135 | T | 39.9 | Very low | 34.6 | Very low | 101 Ų | 101 | 105.2 Ų | 105.2 | 62% | 0.62 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -3 | 177.4 | 18 | 0 | 0 | 0 | 0 | 113.6 | N133 T137 | N133-T135 PolarHBondContact O-N 3.48Å; N133-T135 WeakPolarHBondContact OD1-CA 3.38Å; N133-T135 WeakPolarHBondContact OD1-CB 3.27Å; N133-T135 PolarHBondContact OD1-N 3.2Å; N133-T135 PolarHBondContact OD1-OG1 3.09Å; T135-T137 PolarHBondContact O-N 3.1Å |
| 136 | A | 37 | Very low | 34.6 | Very low | 60 Ų | 60 | 106.3 Ų | 106.3 | 50% | 0.496 | 61% | 0.612 | S | S | . | * | trans | -90 | 87.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | N133 | N133-A136 HydrophobicContact CB-CB 3.82Å; N133-A136 PolarHBondContact O-N 3.22Å; N133-A136 VanDerWaalsContact O-N 3.09Å; N133-A136 PolarHBondContact OD1-N 2.79Å | ||
| 137 | T | 30.5 | Very low | 34.4 | Very low | 96 Ų | 96 | 109.4 Ų | 109.4 | 59% | 0.589 | 63% | 0.632 | S | S | * | * | trans | -52.9 | 128.6 | 156.2 | -46.2 | 0 | 0 | 0 | 0 | 107.9 | T135 A139 | T135-T137 PolarHBondContact O-N 3.1Å; T137-A139 PolarHBondContact O-N 2.81Å; T137-A139 VanDerWaalsContact O-N 3.14Å | ||
| 138 | P | 32.2 | Very low | 34.7 | Very low | 68 Ų | 68 | 111.8 Ų | 111.8 | 44% | 0.442 | 63% | 0.627 | S | S | . | * | trans | -51.6 | 125.2 | 177.7 | -21.6 | 29.8 | 0 | 0 | 0 | 109.3 | S140 D141 | P138-S140 PolarHBondContact O-N 3.01Å; P138-D141 PolarHBondContact O-N 2.84Å | ||
| 139 | A | 32.1 | Very low | 34.9 | Very low | 70 Ų | 70 | 110.4 Ų | 110.4 | 58% | 0.579 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -61.6 | -11.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T137 | T137-A139 PolarHBondContact O-N 2.81Å; T137-A139 VanDerWaalsContact O-N 3.14Å |
| 140 | S | 34.6 | Very low | 35.2 | Very low | 106 Ų | 106 | 113.3 Ų | 113.3 | 74% | 0.741 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -78.7 | -11.2 | 171.1 | 23.5 | 0 | 0 | 0 | 0 | 115.2 | P138 | P138-S140 PolarHBondContact O-N 3.01Š|
| 141 | D | 35 | Very low | 35.4 | Very low | 124 Ų | 124 | 113.1 Ų | 113.1 | 66% | 0.663 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -94.7 | 1.6 | 171.7 | -97.9 | -56.5 | 0 | 0 | 0 | 112.9 | P138 | P138-D141 PolarHBondContact O-N 2.84Š|
| 142 | R | 35.9 | Very low | 35.4 | Very low | 190 Ų | 190 | 114 Ų | 114 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -100.1 | 16.2 | 179.8 | -77.3 | -166.2 | -78.2 | 142.4 | -6.5 | 114.2 | ||
| 143 | Q | 32.1 | Very low | 35.6 | Very low | 180 Ų | 180 | 114.8 Ų | 114.8 | 84% | 0.841 | 64% | 0.641 | S | S | * | * | trans | -121.8 | 89.9 | 168.7 | -62.6 | -151 | 13.2 | 0 | 0 | 110.2 | ||||
| 144 | Q | 39 | Very low | 35.4 | Very low | 270 Ų | 270 | 119.4 Ų | 119.4 | 100% | 1.262 | 67% | 0.668 | S | S | * | * | trans | -111.5 | 0 | 149.5 | -78.2 | -169 | 44.3 | 0 | 0 | 107.6 |
Retrieved 144 of 144 residues in 138.5 ms
(Link to these results)