| 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 | 45.8 | Very low | 53.1 | Low | 187 Ų | 187 | 134 Ų | 134 | 92% | 0.921 | 64% | 0.636 | S | S | * | * | 0 | 93.8 | 0 | -88.9 | 166.8 | 43.3 | 0 | 0 | 105.8 | |||||
| 2 | D | 53.3 | Low | 53.6 | Low | 116 Ų | 116 | 130.5 Ų | 130.5 | 62% | 0.62 | 62% | 0.619 | S | S | * | * | trans | -69.1 | 141.8 | -177.2 | -76.7 | -47.7 | 0 | 0 | 0 | 110.3 | E4 Q5 | D2-E4 PolarHBondContact O-N 3.26Å; D2-Q5 PolarHBondContact O-N 2.77Å | ||
| 3 | W | 50.6 | Low | 54.6 | Low | 214 Ų | 214 | 131.4 Ų | 131.4 | 81% | 0.811 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -55.5 | -19.9 | 176.4 | -83.3 | 82.4 | 0 | 0 | 0 | 113 | N7 | W3-N7 PolarHBondContact O-N 3.41Å |
| 4 | E | 51.7 | Low | 56.3 | Low | 167 Ų | 167 | 131.5 Ų | 131.5 | 78% | 0.78 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.2 | -36.3 | 171.6 | -64.1 | -174.8 | 166.7 | 0 | 0 | 113 | D2 S8 | D2-E4 PolarHBondContact O-N 3.26Å; E4-S8 PolarHBondContact O-N 2.8Å; E4-S8 VanDerWaalsContact O-N 3.1Å |
| 5 | Q | 52.1 | Low | 58.2 | Low | 120 Ų | 120 | 126 Ų | 126 | 56% | 0.561 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.2 | -34 | 179.6 | -81 | -179.4 | -20 | 0 | 0 | 113.1 | D2 N9 | D2-Q5 PolarHBondContact O-N 2.77Å; Q5-N9 PolarHBondContact O-N 2.92Å; Q5-N9 VanDerWaalsContact O-N 3.11Å |
| 6 | L | 53.2 | Low | 60 | Low | 93 Ų | 93 | 126.1 Ų | 126.1 | 49% | 0.487 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.8 | -37.9 | 178.8 | -75.9 | 168.3 | 0 | 0 | 0 | 111.6 | Y10 | L6-Y10 PolarHBondContact O-N 3.34Å |
| 7 | N | 53.1 | Low | 61.7 | Low | 101 Ų | 101 | 121.9 Ų | 121.9 | 54% | 0.54 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.9 | -42 | 172.8 | -85.2 | -3.4 | 0 | 0 | 0 | 111.5 | W3 N9 Y10 F11 | W3-N7 PolarHBondContact O-N 3.41Å; N7-N9 PolarHBondContact O-N 2.74Å; N7-Y10 PolarHBondContact O-N 3.44Å; N7-F11 VanDerWaalsContact O-CD2 3.29Å; N7-F11 WeakPolarHBondContact O-CD2 3.28Å; N7-F11 PolarHBondContact O-N 2.78Å; N7-F11 VanDerWaalsContact O-N 3.1Å |
| 8 | S | 55.8 | Low | 63.3 | Low | 63 Ų | 63 | 117.5 Ų | 117.5 | 44% | 0.441 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -56.4 | -48.2 | 176.9 | -164.1 | 0 | 0 | 0 | 0 | 111.8 | E4 Y10 F11 H12 | E4-S8 PolarHBondContact O-N 2.8Å; E4-S8 VanDerWaalsContact O-N 3.1Å; S8-Y10 VanDerWaalsContact C-N 3.34Å; S8-Y10 PolarHBondContact O-N 3.33Å; S8-F11 PolarHBondContact O-N 2.79Å; S8-H12 PolarHBondContact O-CD2 3.34Å; S8-H12 PolarHBondContact O-N 2.84Å |
| 9 | N | 54.4 | Low | 64.8 | Low | 103 Ų | 103 | 113.3 Ų | 113.3 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.5 | -28.1 | -179.5 | -78.8 | -26.9 | 0 | 0 | 0 | 114.1 | Q5 N7 | Q5-N9 PolarHBondContact O-N 2.92Å; Q5-N9 VanDerWaalsContact O-N 3.11Å; N7-N9 PolarHBondContact O-N 2.74Å |
| 10 | Y | 57.8 | Low | 66.1 | Low | 158 Ų | 158 | 114 Ų | 114 | 62% | 0.62 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.2 | -37.3 | 174.4 | -167.2 | -97.5 | 0 | 0 | 0 | 111.8 | L6 N7 S8 H12 L13 | L6-Y10 PolarHBondContact O-N 3.34Å; N7-Y10 PolarHBondContact O-N 3.44Å; S8-Y10 VanDerWaalsContact C-N 3.34Å; S8-Y10 PolarHBondContact O-N 3.33Å; Y10-H12 VanDerWaalsContact C-N 3.28Å; Y10-H12 PolarHBondContact O-N 2.98Å; Y10-L13 PolarHBondContact O-N 3.19Å |
| 11 | F | 55.8 | Low | 67 | Low | 152 Ų | 152 | 111.2 Ų | 111.2 | 67% | 0.667 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.5 | -31 | 173.7 | -87 | -79.9 | 0 | 0 | 0 | 112.6 | N7 S8 L13 | N7-F11 VanDerWaalsContact O-CD2 3.29Å; N7-F11 WeakPolarHBondContact O-CD2 3.28Å; N7-F11 PolarHBondContact O-N 2.78Å; N7-F11 VanDerWaalsContact O-N 3.1Å; S8-F11 PolarHBondContact O-N 2.79Å; F11-L13 VanDerWaalsContact C-N 3.29Å; F11-L13 PolarHBondContact O-N 3.35Å |
| 12 | H | 59 | Low | 68.8 | Low | 92 Ų | 92 | 110.9 Ų | 110.9 | 43% | 0.426 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -64.8 | -25.4 | 176.7 | -77.6 | -72.5 | 0 | 0 | 0 | 114.8 | S8 Y10 V36 | S8-H12 PolarHBondContact O-CD2 3.34Å; S8-H12 PolarHBondContact O-N 2.84Å; Y10-H12 VanDerWaalsContact C-N 3.28Å; Y10-H12 PolarHBondContact O-N 2.98Å; H12-V36 HydrophobicContact CB-CG1 4.42Å; H12-V36 WeakPolarHBondContact ND1-CG1 3.31Å; H12-V36 WeakPolarHBondContact ND1-CG2 3.15Å |
| 13 | L | 67.3 | Low | 70.5 | Confident | 142 Ų | 142 | 113 Ų | 113 | 74% | 0.743 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -89.4 | -14 | -172.2 | -72.1 | 170.9 | 0 | 0 | 0 | 114.4 | Y10 F11 | Y10-L13 PolarHBondContact O-N 3.19Å; F11-L13 VanDerWaalsContact C-N 3.29Å; F11-L13 PolarHBondContact O-N 3.35Å |
| 14 | L | 78.5 | Confident | 72.3 | Confident | 133 Ų | 133 | 108.8 Ų | 108.8 | 70% | 0.696 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -126.1 | 37.7 | 178.9 | -66.5 | 173.2 | 0 | 0 | 0 | 110.9 | L16 | L14-L16 PolarHBondContact O-N 3.26Š|
| 15 | D | 84.7 | Confident | 74.2 | Confident | 49 Ų | 49 | 101.6 Ų | 101.6 | 26% | 0.262 | 52% | 0.518 | S | S | . | . | trans | -62.2 | 121.2 | 172.9 | -174 | 49.4 | 0 | 0 | 0 | 110.2 | N34 G37 | D15-N34 PolarHBondContact OD2-ND2 3.22Å; D15-G37 PolarHBondContact OD1-N 2.79Å | ||
| 16 | L | 86.9 | Confident | 76.2 | Confident | 128 Ų | 128 | 96.5 Ų | 96.5 | 67% | 0.67 | 50% | 0.495 | S | S | * | . | trans | -86.5 | 112.2 | 177.1 | 173.8 | 64.8 | 0 | 0 | 0 | 107.9 | L14 E18 | L14-L16 PolarHBondContact O-N 3.26Å; L16-E18 PolarHBondContact O-N 3.04Å; L16-E18 VanDerWaalsContact O-OE2 3.13Å | ||
| 17 | D | 89.4 | Confident | 78.1 | Confident | 54 Ų | 54 | 93.9 Ų | 93.9 | 29% | 0.289 | 48% | 0.48 | S | S | . | . | trans | -70.7 | 93.1 | 175 | -172.9 | -14.7 | 0 | 0 | 0 | 110.6 | C19 N20 N34 | D17-C19 PolarHBondContact O-N 3.07Å; D17-C19 VanDerWaalsContact OD1-CB 3.24Å; D17-C19 WeakPolarHBondContact OD1-CB 3.08Å; D17-C19 PolarHBondContact OD1-N 3.49Å; D17-N20 PolarHBondContact O-N 2.53Å; D17-N20 PolarHBondContact OD2-ND2 2.89Å; D17-N34 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 18 | E | 90.2 | Very high | 79.8 | Confident | 43 Ų | 43 | 92.5 Ų | 92.5 | 20% | 0.201 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -65.6 | -21.7 | -179.2 | -56.7 | 96.1 | 158.4 | 0 | 0 | 112.2 | L16 N20 S21 V25 N34 S38 Y39 | L16-E18 PolarHBondContact O-N 3.04Å; L16-E18 VanDerWaalsContact O-OE2 3.13Å; E18-N20 PolarHBondContact O-N 3.12Å; E18-S21 WeakPolarHBondContact O-CB 3.24Å; E18-S21 PolarHBondContact O-N 2.82Å; E18-S21 PolarHBondContact O-OG 3.38Å; E18-V25 VanDerWaalsContact O-CG2 3.31Å; E18-V25 WeakPolarHBondContact O-CG2 3.38Å; E18-N34 PolarHBondContact OE2-OD1 2.91Å; E18-S38 VanDerWaalsContact OE2-C 3.31Å; E18-Y39 HydrophobicContact CB-CD1 3.77Å; E18-Y39 HydrophobicContact CB-CE1 4.48Å; E18-Y39 HydrophobicContact CB-CG 4.35Å; E18-Y39 HydrophobicContact CG-CD1 3.92Å; E18-Y39 PolarHBondContact OE2-N 2.76Å |
| 19 | C | 91.9 | Very high | 81.4 | Confident | 38 Ų | 38 | 92.7 Ų | 92.7 | 26% | 0.257 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -70.7 | -17.4 | 178.9 | -57.9 | 0 | 0 | 0 | 0 | 113.4 | D17 C32 T33 N34 | D17-C19 PolarHBondContact O-N 3.07Å; D17-C19 VanDerWaalsContact OD1-CB 3.24Å; D17-C19 WeakPolarHBondContact OD1-CB 3.08Å; D17-C19 PolarHBondContact OD1-N 3.49Å; C19-C32 WeakPolarHBondContact CA-SG 3.42Å; C19-C32 HydrophobicContact CB-CB 3.7Å; C19-C32 WeakPolarHBondContact CB-SG 3.19Å; C19-C32 WeakPolarHBondContact SG-CB 3.24Å; C19-C32 CovalentContact SG-SG 2.04Å; C19-C32 PolarHBondContact SG-SG 3.39Å; C19-T33 VanDerWaalsContact SG-C 3.56Å; C19-N34 PolarHBondContact SG-N 2.77Å |
| 20 | N | 90.3 | Very high | 83.2 | Confident | 127 Ų | 127 | 88.4 Ų | 88.4 | 68% | 0.679 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -99.4 | 9.2 | 174.7 | -68.2 | -31.9 | 0 | 0 | 0 | 113.1 | D17 E18 | D17-N20 PolarHBondContact O-N 2.53Å; D17-N20 PolarHBondContact OD2-ND2 2.89Å; E18-N20 PolarHBondContact O-N 3.12Å |
| 21 | S | 85.1 | Confident | 85 | Confident | 55 Ų | 55 | 89.8 Ų | 89.8 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -71.2 | 156.7 | 172.4 | 68.4 | 0 | 0 | 0 | 0 | 111.3 | E18 E23 | E18-S21 WeakPolarHBondContact O-CB 3.24Å; E18-S21 PolarHBondContact O-N 2.82Å; E18-S21 PolarHBondContact O-OG 3.38Å; S21-E23 PolarHBondContact O-N 3.43Å; S21-E23 PolarHBondContact OG-O 3.31Å |
| 22 | D | 84.5 | Confident | 86.9 | Confident | 180 Ų | 180 | 84.3 Ų | 84.3 | 96% | 0.963 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -68.4 | -9.8 | 171.7 | -70 | -41 | 0 | 0 | 0 | 112.4 | ||
| 23 | E | 87.7 | Confident | 88.6 | Confident | 160 Ų | 160 | 82.5 Ų | 82.5 | 75% | 0.748 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -88.3 | 140.6 | -178.2 | -65.6 | -171.1 | 179 | 0 | 0 | 112.1 | S21 V25 | S21-E23 PolarHBondContact O-N 3.43Å; S21-E23 PolarHBondContact OG-O 3.31Å; E23-V25 PolarHBondContact O-N 3.29Å |
| 24 | E | 88.9 | Confident | 89.7 | Confident | 126 Ų | 126 | 78.4 Ų | 78.4 | 59% | 0.589 | 42% | 0.423 | S | S | * | . | trans | -71 | 104.1 | 173.3 | -169.7 | 176.2 | -151.7 | 0 | 0 | 110.3 | F27 | E24-F27 HydrophobicContact CB-CE1 4.35Å; E24-F27 HydrophobicContact CB-CZ 4.24Å; E24-F27 HydrophobicContact CG-CD1 4.41Å; E24-F27 HydrophobicContact CG-CE1 4.13Å; E24-F27 HydrophobicContact CG-CZ 4.25Å; E24-F27 VanDerWaalsContact O-CE2 3.3Å; E24-F27 WeakPolarHBondContact O-CE2 3.16Å; E24-F27 WeakPolarHBondContact O-CZ 3.05Å; E24-F27 WeakPolarHBondContact OE2-CE1 3.12Å | ||
| 25 | V | 92 | Very high | 90.3 | Very high | 17 Ų | 17 | 74.3 Ų | 74.3 | 10% | 0.103 | 40% | 0.404 | C | S | . | . | trans | -83.1 | -46.6 | -178.1 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | E18 E23 Y39 | E18-V25 VanDerWaalsContact O-CG2 3.31Å; E18-V25 WeakPolarHBondContact O-CG2 3.38Å; E23-V25 PolarHBondContact O-N 3.29Å; V25-Y39 HydrophobicContact CG1-CD1 4.04Å; V25-Y39 HydrophobicContact CG1-CD2 3.28Å; V25-Y39 HydrophobicContact CG1-CE1 3.93Å; V25-Y39 HydrophobicContact CG1-CE2 3.14Å; V25-Y39 HydrophobicContact CG1-CG 3.75Å; V25-Y39 VanDerWaalsContact CG1-CZ 3.49Å | ||
| 26 | C | 94 | Very high | 90.6 | Very high | 12 Ų | 12 | 75.9 Ų | 75.9 | 8% | 0.081 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -110 | 119.4 | -179.6 | -55.1 | 0 | 0 | 0 | 0 | 110.5 | G30 C32 C41 | C26-G30 WeakPolarHBondContact CB-O 3.47Å; C26-C32 VanDerWaalsContact SG-CA 3.51Å; C26-C32 WeakPolarHBondContact SG-CB 3.38Å; C26-C41 WeakPolarHBondContact CA-SG 3.13Å; C26-C41 HydrophobicContact CB-CB 3.81Å; C26-C41 WeakPolarHBondContact CB-SG 3.34Å; C26-C41 VanDerWaalsContact SG-CA 3.56Å; C26-C41 WeakPolarHBondContact SG-CB 3.39Å; C26-C41 CovalentContact SG-SG 2.03Å; C26-C41 PolarHBondContact SG-SG 2.77Å |
| 27 | F | 92.5 | Very high | 90.6 | Very high | 39 Ų | 39 | 72.6 Ų | 72.6 | 17% | 0.171 | 41% | 0.412 | C | S | . | . | trans | -85.8 | 166.1 | -174.8 | -67.9 | -92.5 | 0 | 0 | 0 | 111.9 | E24 G29 G30 K51 C52 R53 | E24-F27 HydrophobicContact CB-CE1 4.35Å; E24-F27 HydrophobicContact CB-CZ 4.24Å; E24-F27 HydrophobicContact CG-CD1 4.41Å; E24-F27 HydrophobicContact CG-CE1 4.13Å; E24-F27 HydrophobicContact CG-CZ 4.25Å; E24-F27 VanDerWaalsContact O-CE2 3.3Å; E24-F27 WeakPolarHBondContact O-CE2 3.16Å; E24-F27 WeakPolarHBondContact O-CZ 3.05Å; E24-F27 WeakPolarHBondContact OE2-CE1 3.12Å; F27-G29 VanDerWaalsContact C-N 3.26Å; F27-G29 PolarHBondContact O-N 3.01Å; F27-G30 PolarHBondContact O-N 3.37Å; F27-K51 HydrophobicContact CD2-CB 4.11Å; F27-K51 WeakPolarHBondContact CD2-O 3.46Å; F27-K51 HydrophobicContact CE2-CD 4.36Å; F27-K51 PolarHBondContact N-O 2.03Å; F27-C52 WeakPolarHBondContact O-CB 3.08Å; F27-R53 HydrophobicContact CB-CG 3.78Å; F27-R53 HydrophobicContact CD1-CG 4.49Å; F27-R53 HydrophobicContact CD2-CG 3.57Å; F27-R53 HydrophobicContact CE2-CG 4.46Å; F27-R53 HydrophobicContact CG-CG 3.63Å | ||
| 28 | N | 89.4 | Confident | 90.7 | Very high | 72 Ų | 72 | 72.6 Ų | 72.6 | 39% | 0.385 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 34.3 | 171.8 | -57.7 | -57.1 | 0 | 0 | 0 | 114.9 | G30 W47 C52 | N28-G30 VanDerWaalsContact C-N 3.34Å; N28-W47 HydrophobicContact CB-CD2 3.7Å; N28-W47 HydrophobicContact CB-CE3 4.38Å; N28-W47 HydrophobicContact CB-CG 3.9Å; N28-W47 HydrophobicContact CB-CH2 4.48Å; N28-W47 HydrophobicContact CB-CZ2 3.83Å; N28-W47 VanDerWaalsContact CG-CE2 3.4Å; N28-W47 WeakPolarHBondContact ND2-CH2 3.19Å; N28-W47 VanDerWaalsContact ND2-CZ3 3.26Å; N28-W47 WeakPolarHBondContact ND2-CZ3 3.34Å; N28-W47 WeakPolarHBondContact OD1-CZ2 3.19Å; N28-C52 PolarHBondContact ND2-O 3Å |
| 29 | G | 88.5 | Confident | 90.8 | Very high | 66 Ų | 66 | 73.2 Ų | 73.2 | 68% | 0.68 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 19.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F27 | F27-G29 VanDerWaalsContact C-N 3.26Å; F27-G29 PolarHBondContact O-N 3.01Å |
| 30 | G | 93 | Very high | 91 | Very high | 14 Ų | 14 | 76.8 Ų | 76.8 | 14% | 0.144 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 138.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C26 F27 N28 T42 | C26-G30 WeakPolarHBondContact CB-O 3.47Å; F27-G30 PolarHBondContact O-N 3.37Å; N28-G30 VanDerWaalsContact C-N 3.34Å; G30-T42 WeakPolarHBondContact CA-O 3.35Å |
| 31 | R | 95.2 | Very high | 91.2 | Very high | 187 Ų | 187 | 71.6 Ų | 71.6 | 71% | 0.706 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 122.2 | 176.6 | 179.8 | -177.5 | -172.2 | -175.9 | 2.6 | 109.6 | T42 | R31-T42 WeakPolarHBondContact CB-OG1 3.47Å; R31-T42 PolarHBondContact N-O 3.34Å; R31-T42 PolarHBondContact O-N 2.02Å; R31-T42 PolarHBondContact O-OG1 2.82Å |
| 32 | C | 95.2 | Very high | 91.7 | Very high | 36 Ų | 36 | 72.4 Ų | 72.4 | 24% | 0.243 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 134.9 | 175.6 | -164.1 | 0 | 0 | 0 | 0 | 110.7 | C19 C26 | C19-C32 WeakPolarHBondContact CA-SG 3.42Å; C19-C32 HydrophobicContact CB-CB 3.7Å; C19-C32 WeakPolarHBondContact CB-SG 3.19Å; C19-C32 WeakPolarHBondContact SG-CB 3.24Å; C19-C32 CovalentContact SG-SG 2.04Å; C19-C32 PolarHBondContact SG-SG 3.39Å; C26-C32 VanDerWaalsContact SG-CA 3.51Å; C26-C32 WeakPolarHBondContact SG-CB 3.38Å |
| 33 | T | 94.9 | Very high | 92.1 | Very high | 54 Ų | 54 | 66 Ų | 66 | 33% | 0.331 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 121.9 | 170.8 | 49.8 | 0 | 0 | 0 | 0 | 108.7 | C19 M40 | C19-T33 VanDerWaalsContact SG-C 3.56Å; T33-M40 PolarHBondContact N-O 3.1Å; T33-M40 PolarHBondContact O-N 3.27Å; T33-M40 PolarHBondContact OG1-O 3.15Å |
| 34 | N | 91.8 | Very high | 92.2 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 139.1 | 177.6 | -171.7 | 41.2 | 0 | 0 | 0 | 110.7 | D15 D17 E18 C19 | D15-N34 PolarHBondContact OD2-ND2 3.22Å; D17-N34 WeakPolarHBondContact OD1-CB 3.44Å; E18-N34 PolarHBondContact OE2-OD1 2.91Å; C19-N34 PolarHBondContact SG-N 2.77Å |
| 35 | T | 91.1 | Very high | 91.9 | Very high | 48 Ų | 48 | 63.1 Ų | 63.1 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 162.1 | 175.2 | 63.3 | 0 | 0 | 0 | 0 | 109.1 | G37 S38 M40 | T35-G37 PolarHBondContact O-N 2.04Å; T35-S38 CarbonylContact C-O 3.47Å; T35-S38 VanDerWaalsContact CA-O 3.23Å; T35-S38 WeakPolarHBondContact CA-O 3.43Å; T35-S38 WeakPolarHBondContact CB-O 3.19Å; T35-S38 PolarHBondContact N-O 3.41Å; T35-S38 PolarHBondContact O-N 3.21Å; T35-S38 PolarHBondContact OG1-O 3.31Å; T35-M40 HydrophobicContact CG2-CB 4.41Å; T35-M40 HydrophobicContact CG2-CG 4.3Å; T35-M40 HydrophobicContact CG2-SD 4.4Å |
| 36 | V | 89.5 | Confident | 91.6 | Very high | 82 Ų | 82 | 68.1 Ų | 68.1 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 117.3 | 179.3 | -177.7 | 0 | 0 | 0 | 0 | 110 | H12 | H12-V36 HydrophobicContact CB-CG1 4.42Å; H12-V36 WeakPolarHBondContact ND1-CG1 3.31Å; H12-V36 WeakPolarHBondContact ND1-CG2 3.15Å |
| 37 | G | 87.8 | Confident | 91.3 | Very high | 58 Ų | 58 | 70.8 Ų | 70.8 | 60% | 0.598 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 6.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D15 T35 | D15-G37 PolarHBondContact OD1-N 2.79Å; T35-G37 PolarHBondContact O-N 2.04Å |
| 38 | S | 91.6 | Very high | 91.2 | Very high | 55 Ų | 55 | 72.1 Ų | 72.1 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | 175.2 | -177.9 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | E18 T35 | E18-S38 VanDerWaalsContact OE2-C 3.31Å; T35-S38 CarbonylContact C-O 3.47Å; T35-S38 VanDerWaalsContact CA-O 3.23Å; T35-S38 WeakPolarHBondContact CA-O 3.43Å; T35-S38 WeakPolarHBondContact CB-O 3.19Å; T35-S38 PolarHBondContact N-O 3.41Å; T35-S38 PolarHBondContact O-N 3.21Å; T35-S38 PolarHBondContact OG1-O 3.31Å |
| 39 | Y | 92.3 | Very high | 91.3 | Very high | 55 Ų | 55 | 69.6 Ų | 69.6 | 22% | 0.216 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 164.9 | 165.3 | 60.9 | -81.2 | 0 | 0 | 0 | 111.4 | E18 V25 K51 | E18-Y39 HydrophobicContact CB-CD1 3.77Å; E18-Y39 HydrophobicContact CB-CE1 4.48Å; E18-Y39 HydrophobicContact CB-CG 4.35Å; E18-Y39 HydrophobicContact CG-CD1 3.92Å; E18-Y39 PolarHBondContact OE2-N 2.76Å; V25-Y39 HydrophobicContact CG1-CD1 4.04Å; V25-Y39 HydrophobicContact CG1-CD2 3.28Å; V25-Y39 HydrophobicContact CG1-CE1 3.93Å; V25-Y39 HydrophobicContact CG1-CE2 3.14Å; V25-Y39 HydrophobicContact CG1-CG 3.75Å; V25-Y39 VanDerWaalsContact CG1-CZ 3.49Å; Y39-K51 WeakPolarHBondContact OH-CE 3.27Å |
| 40 | M | 94.7 | Very high | 91.5 | Very high | 114 Ų | 114 | 71.3 Ų | 71.3 | 56% | 0.562 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.7 | 165.9 | -86.8 | -179.7 | 54.5 | 0 | 0 | 110.2 | T33 T35 | T33-M40 PolarHBondContact N-O 3.1Å; T33-M40 PolarHBondContact O-N 3.27Å; T33-M40 PolarHBondContact OG1-O 3.15Å; T35-M40 HydrophobicContact CG2-CB 4.41Å; T35-M40 HydrophobicContact CG2-CG 4.3Å; T35-M40 HydrophobicContact CG2-SD 4.4Å |
| 41 | C | 96 | Very high | 91.5 | Very high | 17 Ų | 17 | 74.5 Ų | 74.5 | 12% | 0.115 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.3 | 169.6 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | C26 P50 | C26-C41 WeakPolarHBondContact CA-SG 3.13Å; C26-C41 HydrophobicContact CB-CB 3.81Å; C26-C41 WeakPolarHBondContact CB-SG 3.34Å; C26-C41 VanDerWaalsContact SG-CA 3.56Å; C26-C41 WeakPolarHBondContact SG-CB 3.39Å; C26-C41 CovalentContact SG-SG 2.03Å; C26-C41 PolarHBondContact SG-SG 2.77Å; C41-P50 WeakPolarHBondContact CB-O 3.01Å; C41-P50 PolarHBondContact SG-O 2.85Å; C41-P50 VanDerWaalsContact SG-O 3.38Å |
| 42 | T | 94.7 | Very high | 91.4 | Very high | 73 Ų | 73 | 65.7 Ų | 65.7 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117.9 | 166.1 | 59.8 | 0 | 0 | 0 | 0 | 109.5 | G30 R31 | G30-T42 WeakPolarHBondContact CA-O 3.35Å; R31-T42 WeakPolarHBondContact CB-OG1 3.47Å; R31-T42 PolarHBondContact N-O 3.34Å; R31-T42 PolarHBondContact O-N 2.02Å; R31-T42 PolarHBondContact O-OG1 2.82Å |
| 43 | C | 92.6 | Very high | 91.2 | Very high | 44 Ų | 44 | 71.1 Ų | 71.1 | 30% | 0.297 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 150.9 | -175.4 | -50.2 | 0 | 0 | 0 | 0 | 112.2 | W47 G49 C52 | C43-W47 HydrophobicContact CB-CB 4.11Å; C43-W47 VanDerWaalsContact CB-O 3.23Å; C43-W47 WeakPolarHBondContact CB-O 3.43Å; C43-G49 PolarHBondContact SG-O 3.41Å; C43-C52 WeakPolarHBondContact CA-SG 3.03Å; C43-C52 HydrophobicContact CB-CB 3.78Å; C43-C52 WeakPolarHBondContact CB-SG 3.18Å; C43-C52 WeakPolarHBondContact SG-CA 3.03Å; C43-C52 WeakPolarHBondContact SG-CB 3.46Å; C43-C52 CovalentContact SG-SG 2.04Å; C43-C52 PolarHBondContact SG-SG 3.05Å |
| 44 | S | 89.6 | Confident | 90.9 | Very high | 63 Ų | 63 | 74 Ų | 74 | 44% | 0.441 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 161 | 167.9 | -67.4 | 0 | 0 | 0 | 0 | 110.7 | R46 W47 | S44-R46 PolarHBondContact O-N 3.26Å; S44-W47 PolarHBondContact O-N 3.48Å |
| 45 | E | 84.2 | Confident | 90.5 | Very high | 163 Ų | 163 | 74.2 Ų | 74.2 | 76% | 0.762 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -22.3 | -175.3 | -63.6 | -174.2 | 166.2 | 0 | 0 | 115.4 | T58 | E45-T58 VanDerWaalsContact O-CB 3.22Å; E45-T58 WeakPolarHBondContact O-CB 3.16Å; E45-T58 PolarHBondContact O-OG1 3.26Å |
| 46 | R | 84 | Confident | 90.3 | Very high | 122 Ų | 122 | 72.2 Ų | 72.2 | 46% | 0.46 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -8.9 | -177.8 | -67.5 | -176.7 | -86.2 | 169.6 | -5.5 | 114.5 | S44 G56 A59 | S44-R46 PolarHBondContact O-N 3.26Å; R46-G56 PolarHBondContact O-N 3.08Å; R46-A59 HydrophobicContact CB-CB 4.18Å; R46-A59 HydrophobicContact CG-CB 4.39Å |
| 47 | W | 89.7 | Confident | 90 | Very high | 69 Ų | 69 | 72.9 Ų | 72.9 | 26% | 0.261 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.8 | -172 | -58.4 | 104.2 | 0 | 0 | 0 | 111.5 | N28 C43 S44 C52 E54 V55 | N28-W47 HydrophobicContact CB-CD2 3.7Å; N28-W47 HydrophobicContact CB-CE3 4.38Å; N28-W47 HydrophobicContact CB-CG 3.9Å; N28-W47 HydrophobicContact CB-CH2 4.48Å; N28-W47 HydrophobicContact CB-CZ2 3.83Å; N28-W47 VanDerWaalsContact CG-CE2 3.4Å; N28-W47 WeakPolarHBondContact ND2-CH2 3.19Å; N28-W47 VanDerWaalsContact ND2-CZ3 3.26Å; N28-W47 WeakPolarHBondContact ND2-CZ3 3.34Å; N28-W47 WeakPolarHBondContact OD1-CZ2 3.19Å; C43-W47 HydrophobicContact CB-CB 4.11Å; C43-W47 VanDerWaalsContact CB-O 3.23Å; C43-W47 WeakPolarHBondContact CB-O 3.43Å; S44-W47 PolarHBondContact O-N 3.48Å; W47-C52 HydrophobicContact CB-CB 4.28Å; W47-E54 CarbonylContact C-O 3.54Å; W47-E54 WeakPolarHBondContact CA-O 3.21Å; W47-V55 HydrophobicContact CZ3-CG2 4.46Å |
| 48 | T | 90.4 | Very high | 89.8 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | -179.8 | 179.7 | -164.3 | 0 | 0 | 0 | 0 | 110.9 | C52 R53 E54 | T48-C52 CarbonylContact O-C 3.47Å; T48-C52 VanDerWaalsContact O-CA 3.31Å; T48-C52 WeakPolarHBondContact O-CA 3.45Å; T48-R53 PolarHBondContact O-N 3.3Å; T48-E54 HydrophobicContact CG2-CB 3.59Å; T48-E54 PolarHBondContact N-O 2.63Å; T48-E54 WeakPolarHBondContact O-CB 3Å; T48-E54 PolarHBondContact O-N 2.97Å; T48-E54 VanDerWaalsContact O-N 3.07Å |
| 49 | G | 91.5 | Very high | 89.5 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | S | Bend | trans | 84.2 | 166.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C43 K51 C52 | C43-G49 PolarHBondContact SG-O 3.41Å; G49-K51 PolarHBondContact O-N 2.85Å; G49-K51 VanDerWaalsContact O-N 3.15Å; G49-C52 PolarHBondContact O-N 3.46Å; G49-C52 VanDerWaalsContact O-N 3.09Å |
| 50 | P | 91.7 | Very high | 89.1 | Confident | 102 Ų | 102 | 72.2 Ų | 72.2 | 66% | 0.662 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.4 | -170.1 | 24 | -33.9 | 0 | 0 | 0 | 114 | C41 | C41-P50 WeakPolarHBondContact CB-O 3.01Å; C41-P50 PolarHBondContact SG-O 2.85Å; C41-P50 VanDerWaalsContact SG-O 3.38Å |
| 51 | K | 93.1 | Very high | 88.6 | Confident | 82 Ų | 82 | 73.8 Ų | 73.8 | 36% | 0.357 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 9.6 | 177.1 | -67.3 | -168 | 168.6 | -168.4 | 0 | 113.6 | F27 Y39 G49 R53 | F27-K51 HydrophobicContact CD2-CB 4.11Å; F27-K51 WeakPolarHBondContact CD2-O 3.46Å; F27-K51 HydrophobicContact CE2-CD 4.36Å; F27-K51 PolarHBondContact N-O 2.03Å; Y39-K51 WeakPolarHBondContact OH-CE 3.27Å; G49-K51 PolarHBondContact O-N 2.85Å; G49-K51 VanDerWaalsContact O-N 3.15Å; K51-R53 VanDerWaalsContact C-N 3.27Å; K51-R53 HydrophobicContact CB-CG 4.31Å; K51-R53 PolarHBondContact O-N 2.92Å |
| 52 | C | 93.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.007 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 58 | 32.1 | -176 | -51.8 | 0 | 0 | 0 | 0 | 115.1 | F27 N28 C43 W47 T48 G49 | F27-C52 WeakPolarHBondContact O-CB 3.08Å; N28-C52 PolarHBondContact ND2-O 3Å; C43-C52 WeakPolarHBondContact CA-SG 3.03Å; C43-C52 HydrophobicContact CB-CB 3.78Å; C43-C52 WeakPolarHBondContact CB-SG 3.18Å; C43-C52 WeakPolarHBondContact SG-CA 3.03Å; C43-C52 WeakPolarHBondContact SG-CB 3.46Å; C43-C52 CovalentContact SG-SG 2.04Å; C43-C52 PolarHBondContact SG-SG 3.05Å; W47-C52 HydrophobicContact CB-CB 4.28Å; T48-C52 CarbonylContact O-C 3.47Å; T48-C52 VanDerWaalsContact O-CA 3.31Å; T48-C52 WeakPolarHBondContact O-CA 3.45Å; G49-C52 PolarHBondContact O-N 3.46Å; G49-C52 VanDerWaalsContact O-N 3.09Å |
| 53 | R | 91.1 | Very high | 87.9 | Confident | 151 Ų | 151 | 72.8 Ų | 72.8 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | trans | -94.1 | -23.6 | 178.1 | -71.2 | -173.9 | 176.9 | -169.8 | 1.2 | 113.4 | F27 T48 K51 | F27-R53 HydrophobicContact CB-CG 3.78Å; F27-R53 HydrophobicContact CD1-CG 4.49Å; F27-R53 HydrophobicContact CD2-CG 3.57Å; F27-R53 HydrophobicContact CE2-CG 4.46Å; F27-R53 HydrophobicContact CG-CG 3.63Å; T48-R53 PolarHBondContact O-N 3.3Å; K51-R53 VanDerWaalsContact C-N 3.27Å; K51-R53 HydrophobicContact CB-CG 4.31Å; K51-R53 PolarHBondContact O-N 2.92Å | ||
| 54 | E | 88.8 | Confident | 87.7 | Confident | 114 Ų | 114 | 74.1 Ų | 74.1 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 148.5 | -176 | -64.7 | 165 | -150.5 | 0 | 0 | 110.4 | W47 T48 G56 | W47-E54 CarbonylContact C-O 3.54Å; W47-E54 WeakPolarHBondContact CA-O 3.21Å; T48-E54 HydrophobicContact CG2-CB 3.59Å; T48-E54 PolarHBondContact N-O 2.63Å; T48-E54 WeakPolarHBondContact O-CB 3Å; T48-E54 PolarHBondContact O-N 2.97Å; T48-E54 VanDerWaalsContact O-N 3.07Å; E54-G56 PolarHBondContact O-N 3.43Å |
| 55 | V | 84 | Confident | 87.7 | Confident | 61 Ų | 61 | 74.5 Ų | 74.5 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 126.8 | 179.1 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | W47 A59 I60 V83 | W47-V55 HydrophobicContact CZ3-CG2 4.46Å; V55-A59 HydrophobicContact CG1-CB 3.69Å; V55-I60 HydrophobicContact CG1-CG1 4.26Å; V55-V83 HydrophobicContact CG1-CB 4.24Å; V55-V83 HydrophobicContact CG1-CG1 4.2Å; V55-V83 HydrophobicContact CG1-CG2 4.02Å; V55-V83 HydrophobicContact CG2-CG2 4.02Å |
| 56 | G | 85.2 | Confident | 88.1 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 156.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | R46 E54 T58 A59 I60 | R46-G56 PolarHBondContact O-N 3.08Å; E54-G56 PolarHBondContact O-N 3.43Å; G56-T58 VanDerWaalsContact C-N 3.27Å; G56-T58 PolarHBondContact O-N 3.23Å; G56-A59 WeakPolarHBondContact O-CB 3.36Å; G56-A59 PolarHBondContact O-N 2.91Å; G56-I60 PolarHBondContact O-N 2.91Å |
| 57 | T | 84.1 | Confident | 88.5 | Confident | 97 Ų | 97 | 65.3 Ų | 65.3 | 60% | 0.595 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59 | -35.9 | 178.7 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | A59 I60 F61 | T57-A59 VanDerWaalsContact C-N 3.3Å; T57-A59 PolarHBondContact O-N 3.4Å; T57-I60 WeakPolarHBondContact O-CB 3.28Å; T57-I60 PolarHBondContact O-N 2.88Å; T57-I60 VanDerWaalsContact O-N 3.14Å; T57-F61 WeakPolarHBondContact O-CD2 3.21Å; T57-F61 PolarHBondContact O-N 3.36Å |
| 58 | T | 84.5 | Confident | 88.6 | Confident | 57 Ų | 57 | 69.9 Ų | 69.9 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.6 | -41.1 | 174.5 | -48.5 | 0 | 0 | 0 | 0 | 112 | E45 G56 I60 F61 V62 | E45-T58 VanDerWaalsContact O-CB 3.22Å; E45-T58 WeakPolarHBondContact O-CB 3.16Å; E45-T58 PolarHBondContact O-OG1 3.26Å; G56-T58 VanDerWaalsContact C-N 3.27Å; G56-T58 PolarHBondContact O-N 3.23Å; T58-I60 VanDerWaalsContact C-N 3.32Å; T58-I60 PolarHBondContact O-N 2.89Å; T58-F61 PolarHBondContact O-N 2.93Å; T58-V62 VanDerWaalsContact O-CG2 3.29Å; T58-V62 WeakPolarHBondContact O-CG2 3.31Å; T58-V62 PolarHBondContact O-N 3.23Å |
| 59 | A | 83.9 | Confident | 88.7 | Confident | 4 Ų | 4 | 73.4 Ų | 73.4 | 3% | 0.033 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R46 V55 G56 T57 V62 A63 V83 | R46-A59 HydrophobicContact CB-CB 4.18Å; R46-A59 HydrophobicContact CG-CB 4.39Å; V55-A59 HydrophobicContact CG1-CB 3.69Å; G56-A59 WeakPolarHBondContact O-CB 3.36Å; G56-A59 PolarHBondContact O-N 2.91Å; T57-A59 VanDerWaalsContact C-N 3.3Å; T57-A59 PolarHBondContact O-N 3.4Å; A59-V62 PolarHBondContact O-N 3.15Å; A59-A63 PolarHBondContact O-N 3.36Å; A59-V83 HydrophobicContact CB-CG1 4.28Å |
| 60 | I | 83.4 | Confident | 88.7 | Confident | 92 Ų | 92 | 74.2 Ų | 74.2 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 174 | -59.4 | 172.2 | 0 | 0 | 0 | 110.5 | V55 G56 T57 T58 V62 A63 V64 | V55-I60 HydrophobicContact CG1-CG1 4.26Å; G56-I60 PolarHBondContact O-N 2.91Å; T57-I60 WeakPolarHBondContact O-CB 3.28Å; T57-I60 PolarHBondContact O-N 2.88Å; T57-I60 VanDerWaalsContact O-N 3.14Å; T58-I60 VanDerWaalsContact C-N 3.32Å; T58-I60 PolarHBondContact O-N 2.89Å; I60-V62 VanDerWaalsContact C-N 3.32Å; I60-V62 PolarHBondContact O-N 2.82Å; I60-A63 WeakPolarHBondContact O-CB 3.48Å; I60-A63 PolarHBondContact O-N 2.85Å; I60-V64 WeakPolarHBondContact O-CG2 3.36Å; I60-V64 PolarHBondContact O-N 3.02Å |
| 61 | F | 85.6 | Confident | 88.8 | Confident | 147 Ų | 147 | 74 Ų | 74 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.5 | -40.7 | 176.5 | -73.7 | -63.3 | 0 | 0 | 0 | 112.5 | T57 T58 V64 D65 | T57-F61 WeakPolarHBondContact O-CD2 3.21Å; T57-F61 PolarHBondContact O-N 3.36Å; T58-F61 PolarHBondContact O-N 2.93Å; F61-V64 PolarHBondContact O-N 3.42Å; F61-D65 PolarHBondContact O-N 2.59Å |
| 62 | V | 87.5 | Confident | 88.9 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 174.9 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | T58 A59 I60 V64 D65 L66 | T58-V62 VanDerWaalsContact O-CG2 3.29Å; T58-V62 WeakPolarHBondContact O-CG2 3.31Å; T58-V62 PolarHBondContact O-N 3.23Å; A59-V62 PolarHBondContact O-N 3.15Å; I60-V62 VanDerWaalsContact C-N 3.32Å; I60-V62 PolarHBondContact O-N 2.82Å; V62-V64 VanDerWaalsContact C-N 3.32Å; V62-V64 PolarHBondContact O-N 3.1Å; V62-D65 PolarHBondContact O-N 3.45Å; V62-L66 HydrophobicContact CG1-CD1 3.95Å; V62-L66 HydrophobicContact CG1-CG 4.27Å; V62-L66 WeakPolarHBondContact O-CB 2.97Å; V62-L66 VanDerWaalsContact O-CG 3.27Å; V62-L66 WeakPolarHBondContact O-CG 3.4Å; V62-L66 PolarHBondContact O-N 2.68Å |
| 63 | A | 87.4 | Confident | 89 | Confident | 10 Ų | 10 | 75.2 Ų | 75.2 | 8% | 0.083 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A59 I60 L66 C67 A79 V83 V86 | A59-A63 PolarHBondContact O-N 3.36Å; I60-A63 WeakPolarHBondContact O-CB 3.48Å; I60-A63 PolarHBondContact O-N 2.85Å; A63-L66 PolarHBondContact O-N 3.37Å; A63-C67 PolarHBondContact O-N 2.78Å; A63-A79 HydrophobicContact CB-CB 4.41Å; A63-V83 HydrophobicContact CB-CG1 3.92Å; A63-V83 VanDerWaalsContact CB-O 3.25Å; A63-V83 WeakPolarHBondContact CB-O 3.39Å; A63-V86 HydrophobicContact CB-CG1 4.48Å |
| 64 | V | 88.3 | Confident | 89.3 | Confident | 73 Ų | 73 | 69.9 Ų | 69.9 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 177.6 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | I60 F61 V62 C67 K68 | I60-V64 WeakPolarHBondContact O-CG2 3.36Å; I60-V64 PolarHBondContact O-N 3.02Å; F61-V64 PolarHBondContact O-N 3.42Å; V62-V64 VanDerWaalsContact C-N 3.32Å; V62-V64 PolarHBondContact O-N 3.1Å; V64-C67 PolarHBondContact O-N 3.43Å; V64-K68 WeakPolarHBondContact O-CG 3.27Å; V64-K68 PolarHBondContact O-N 2.94Å |
| 65 | D | 90.3 | Very high | 89.7 | Confident | 71 Ų | 71 | 64.9 Ų | 64.9 | 38% | 0.38 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 176 | -172.3 | 52.5 | 0 | 0 | 0 | 112.4 | F61 V62 K68 K69 | F61-D65 PolarHBondContact O-N 2.59Å; V62-D65 PolarHBondContact O-N 3.45Å; D65-K68 WeakPolarHBondContact O-CB 3.32Å; D65-K68 PolarHBondContact O-N 3.38Å; D65-K69 PolarHBondContact O-N 3.44Å; D65-K69 IonicContact OD1-NZ 3.95Å; D65-K69 WeakPolarHBondContact OD2-CE 3.37Å; D65-K69 IonicContact OD2-NZ 2.66Å; D65-K69 PolarHBondContact OD2-NZ 3.41Å |
| 66 | L | 92.1 | Very high | 90.3 | Very high | 55 Ų | 55 | 67 Ų | 67 | 29% | 0.288 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 173.6 | -69.7 | 173.3 | 0 | 0 | 0 | 111.3 | V62 A63 K68 K69 L70 F84 V86 | V62-L66 HydrophobicContact CG1-CD1 3.95Å; V62-L66 HydrophobicContact CG1-CG 4.27Å; V62-L66 WeakPolarHBondContact O-CB 2.97Å; V62-L66 VanDerWaalsContact O-CG 3.27Å; V62-L66 WeakPolarHBondContact O-CG 3.4Å; V62-L66 PolarHBondContact O-N 2.68Å; A63-L66 PolarHBondContact O-N 3.37Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.95Å; L66-K69 PolarHBondContact O-N 3.31Å; L66-K69 VanDerWaalsContact O-N 3.08Å; L66-L70 WeakPolarHBondContact O-CB 3.19Å; L66-L70 PolarHBondContact O-N 3.04Å; L66-F84 VanDerWaalsContact CD1-O 3.32Å; L66-F84 WeakPolarHBondContact CD1-O 3.09Å; L66-V86 HydrophobicContact CB-CB 4.46Å; L66-V86 HydrophobicContact CB-CG1 3.83Å; L66-V86 HydrophobicContact CB-CG2 3.72Å; L66-V86 HydrophobicContact CD1-CG1 4.33Å |
| 67 | C | 93.2 | Very high | 90.7 | Very high | 36 Ų | 36 | 67.9 Ų | 67.9 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.8 | -27.7 | 175.3 | -78.5 | 0 | 0 | 0 | 0 | 113.9 | A63 V64 K69 C77 | A63-C67 PolarHBondContact O-N 2.78Å; V64-C67 PolarHBondContact O-N 3.43Å; C67-K69 VanDerWaalsContact C-N 3.26Å; C67-K69 PolarHBondContact O-N 3.43Å; C67-C77 WeakPolarHBondContact CA-SG 3.22Å; C67-C77 HydrophobicContact CB-CB 3.69Å; C67-C77 WeakPolarHBondContact CB-SG 3.5Å; C67-C77 WeakPolarHBondContact SG-CB 3.44Å; C67-C77 CovalentContact SG-SG 2.04Å; C67-C77 PolarHBondContact SG-SG 2.86Å |
| 68 | K | 91.3 | Very high | 91.2 | Very high | 165 Ų | 165 | 65.2 Ų | 65.2 | 72% | 0.717 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.9 | -27.8 | 170.8 | -72.8 | 173.4 | -177.6 | 176.2 | 0 | 112.7 | V64 D65 L66 | V64-K68 WeakPolarHBondContact O-CG 3.27Å; V64-K68 PolarHBondContact O-N 2.94Å; D65-K68 WeakPolarHBondContact O-CB 3.32Å; D65-K68 PolarHBondContact O-N 3.38Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.95Å |
| 69 | K | 92.3 | Very high | 91.5 | Very high | 141 Ų | 141 | 64.8 Ų | 64.8 | 61% | 0.613 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -90 | -30.2 | 179.4 | -69.9 | 168.3 | 178.5 | 158.8 | 0 | 112.7 | D65 L66 C67 D71 | D65-K69 PolarHBondContact O-N 3.44Å; D65-K69 IonicContact OD1-NZ 3.95Å; D65-K69 WeakPolarHBondContact OD2-CE 3.37Å; D65-K69 IonicContact OD2-NZ 2.66Å; D65-K69 PolarHBondContact OD2-NZ 3.41Å; L66-K69 PolarHBondContact O-N 3.31Å; L66-K69 VanDerWaalsContact O-N 3.08Å; C67-K69 VanDerWaalsContact C-N 3.26Å; C67-K69 PolarHBondContact O-N 3.43Å; K69-D71 PolarHBondContact O-N 2.04Å |
| 70 | L | 92.4 | Very high | 91.7 | Very high | 36 Ų | 36 | 68.4 Ų | 68.4 | 19% | 0.188 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -87.3 | 104.5 | 178.4 | -176.9 | 63.6 | 0 | 0 | 0 | 110.1 | L66 C72 V86 R98 | L66-L70 WeakPolarHBondContact O-CB 3.19Å; L66-L70 PolarHBondContact O-N 3.04Å; L70-C72 PolarHBondContact O-N 3.31Å; L70-V86 HydrophobicContact CB-CG2 4.38Å; L70-V86 HydrophobicContact CD2-CB 4.49Å; L70-V86 HydrophobicContact CD2-CG2 3.75Å; L70-R98 HydrophobicContact CD1-CG 4.25Å |
| 71 | D | 93.4 | Very high | 91.6 | Very high | 98 Ų | 98 | 73.9 Ų | 73.9 | 52% | 0.524 | 38% | 0.383 | S | S | . | . | trans | -81.9 | 107.4 | 176.9 | -166 | 17.1 | 0 | 0 | 0 | 110.8 | K69 I73 | K69-D71 PolarHBondContact O-N 2.04Å; D71-I73 WeakPolarHBondContact OD2-CD1 3.01Å | ||
| 72 | C | 95.9 | Very high | 91.1 | Very high | 16 Ų | 16 | 72.4 Ų | 72.4 | 11% | 0.108 | 38% | 0.376 | C | S | . | . | trans | -95.8 | 90.2 | 175.3 | -58.5 | 0 | 0 | 0 | 0 | 109.1 | L70 N74 G75 C88 | L70-C72 PolarHBondContact O-N 3.31Å; C72-N74 PolarHBondContact O-N 2.86Å; C72-G75 WeakPolarHBondContact CB-O 3.42Å; C72-G75 PolarHBondContact O-N 2.84Å; C72-C88 VanDerWaalsContact CA-SG 3.52Å; C72-C88 HydrophobicContact CB-CB 3.8Å; C72-C88 WeakPolarHBondContact CB-SG 3.25Å; C72-C88 VanDerWaalsContact SG-CA 3.52Å; C72-C88 WeakPolarHBondContact SG-CB 3.13Å; C72-C88 CovalentContact SG-SG 2.03Å; C72-C88 PolarHBondContact SG-SG 3.09Å | ||
| 73 | I | 95.4 | Very high | 90.6 | Very high | 91 Ų | 91 | 71.1 Ų | 71.1 | 47% | 0.467 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -53.1 | -170.1 | -56 | -61 | 0 | 0 | 0 | 111.9 | D71 R98 T100 | D71-I73 WeakPolarHBondContact OD2-CD1 3.01Å; I73-R98 PolarHBondContact N-O 3.31Å; I73-T100 HydrophobicContact CB-CG2 4.37Å; I73-T100 HydrophobicContact CG1-CG2 3.81Å |
| 74 | N | 96.1 | Very high | 90.3 | Very high | 40 Ų | 40 | 74 Ų | 74 | 21% | 0.214 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 48.5 | 177.6 | -58.9 | -67.4 | 0 | 0 | 0 | 111 | C72 Y91 W94 C99 | C72-N74 PolarHBondContact O-N 2.86Å; N74-Y91 HydrophobicContact CB-CD2 4.31Å; N74-Y91 VanDerWaalsContact O-CD2 3.23Å; N74-Y91 WeakPolarHBondContact O-CD2 3.04Å; N74-Y91 PolarHBondContact O-N 2.96Å; N74-W94 HydrophobicContact CB-CB 4.04Å; N74-W94 HydrophobicContact CB-CD2 3.44Å; N74-W94 VanDerWaalsContact CB-CD2 3.44Å; N74-W94 HydrophobicContact CB-CE3 4.1Å; N74-W94 HydrophobicContact CB-CG 3.37Å; N74-W94 HydrophobicContact CB-CZ2 4.38Å; N74-W94 VanDerWaalsContact CG-CD2 3.49Å; N74-W94 VanDerWaalsContact ND2-CD2 3.27Å; N74-W94 VanDerWaalsContact ND2-CE2 3.3Å; N74-W94 WeakPolarHBondContact ND2-CH2 3.15Å; N74-W94 VanDerWaalsContact ND2-CZ2 3.29Å; N74-W94 WeakPolarHBondContact ND2-CZ2 3.36Å; N74-W94 WeakPolarHBondContact ND2-CZ3 3.18Å; N74-C99 HydrophobicContact CB-CB 4.29Å; N74-C99 WeakPolarHBondContact CB-O 3.17Å; N74-C99 PolarHBondContact ND2-O 3.23Å; N74-C99 WeakPolarHBondContact O-CB 3.42Å |
| 75 | G | 96.6 | Very high | 90.3 | Very high | 9 Ų | 9 | 74 Ų | 74 | 9% | 0.093 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | -180 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C72 K89 | C72-G75 WeakPolarHBondContact CB-O 3.42Å; C72-G75 PolarHBondContact O-N 2.84Å; G75-K89 CarbonylContact C-O 3.52Å; G75-K89 WeakPolarHBondContact CA-O 3.46Å |
| 76 | L | 96.6 | Very high | 90.5 | Very high | 104 Ų | 104 | 72 Ų | 72 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.9 | 175.7 | -178.1 | 65.7 | 0 | 0 | 0 | 109.8 | V78 K89 | L76-V78 HydrophobicContact CD2-CG1 4.11Å; L76-V78 HydrophobicContact CG-CG1 4.09Å; L76-V78 PolarHBondContact O-N 2.87Å; L76-K89 PolarHBondContact N-O 2.85Å; L76-K89 PolarHBondContact O-N 3.02Å |
| 77 | C | 95.3 | Very high | 90.6 | Very high | 25 Ų | 25 | 72.2 Ų | 72.2 | 17% | 0.169 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 126.5 | 170.2 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | C67 | C67-C77 WeakPolarHBondContact CA-SG 3.22Å; C67-C77 HydrophobicContact CB-CB 3.69Å; C67-C77 WeakPolarHBondContact CB-SG 3.5Å; C67-C77 WeakPolarHBondContact SG-CB 3.44Å; C67-C77 CovalentContact SG-SG 2.04Å; C67-C77 PolarHBondContact SG-SG 2.86Å |
| 78 | V | 93.6 | Very high | 90.8 | Very high | 41 Ų | 41 | 71.2 Ų | 71.2 | 25% | 0.248 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 152.6 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | L76 V86 E87 K89 | L76-V78 HydrophobicContact CD2-CG1 4.11Å; L76-V78 HydrophobicContact CG-CG1 4.09Å; L76-V78 PolarHBondContact O-N 2.87Å; V78-V86 CarbonylContact O-C 3.57Å; V78-V86 VanDerWaalsContact O-CA 3.26Å; V78-V86 WeakPolarHBondContact O-CA 3.47Å; V78-E87 HydrophobicContact CG2-CG 3.92Å; V78-E87 PolarHBondContact N-O 3.36Å; V78-E87 PolarHBondContact O-N 2.02Å; V78-K89 HydrophobicContact CG1-CG 4.18Å; V78-K89 HydrophobicContact CG2-CD 4.43Å; V78-K89 HydrophobicContact CG2-CG 3.56Å |
| 79 | A | 90 | Very high | 91.1 | Very high | 48 Ų | 48 | 68.7 Ų | 68.7 | 40% | 0.397 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 134 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | A63 V83 | A63-A79 HydrophobicContact CB-CB 4.41Å; A79-V83 HydrophobicContact CB-CG1 4.5Å |
| 80 | K | 89.6 | Confident | 91.4 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 35% | 0.348 | 33% | 0.331 | S | S | . | . | trans | -66.7 | 172.6 | 165.8 | -67.1 | -168.7 | -178.8 | -177 | 0 | 109.5 | K82 E85 E87 | K80-K82 CarbonylContact O-C 3.19Å; K80-K82 PolarHBondContact O-N 3.46Å; K80-E85 HydrophobicContact CB-CB 4.19Å; K80-E85 HydrophobicContact CD-CB 3.98Å; K80-E85 HydrophobicContact CG-CB 4.27Å; K80-E85 PolarHBondContact N-O 3.2Å; K80-E87 VanDerWaalsContact CE-OE2 3.23Å; K80-E87 WeakPolarHBondContact CE-OE2 3.24Å; K80-E87 HydrophobicContact CG-CB 4.14Å; K80-E87 HydrophobicContact CG-CG 3.77Å | ||
| 81 | E | 79.9 | Confident | 91.6 | Very high | 207 Ų | 207 | 69 Ų | 69 | 97% | 0.967 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -48.8 | -33.1 | 172 | -66.4 | -177.7 | 166.5 | 0 | 0 | 112.2 | ||
| 82 | K | 75.6 | Confident | 91.7 | Very high | 116 Ų | 116 | 71.5 Ų | 71.5 | 50% | 0.504 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -85.4 | 105.7 | 163.5 | -68.8 | 171.7 | 178.3 | -179.2 | 0 | 109.4 | K80 F84 E85 | K80-K82 CarbonylContact O-C 3.19Å; K80-K82 PolarHBondContact O-N 3.46Å; K82-F84 HydrophobicContact CB-CD1 4.22Å; K82-F84 HydrophobicContact CB-CD2 4.35Å; K82-F84 HydrophobicContact CB-CE1 3.75Å; K82-F84 HydrophobicContact CB-CE2 3.89Å; K82-F84 HydrophobicContact CB-CZ 3.58Å; K82-F84 HydrophobicContact CD-CE1 4.46Å; K82-F84 HydrophobicContact CD-CE2 3.87Å; K82-F84 HydrophobicContact CD-CZ 3.58Å; K82-F84 HydrophobicContact CG-CE1 4.04Å; K82-F84 HydrophobicContact CG-CE2 4.24Å; K82-F84 HydrophobicContact CG-CZ 3.64Å; K82-F84 PolarHBondContact O-N 3.21Å; K82-E85 HydrophobicContact CB-CB 4.48Å; K82-E85 HydrophobicContact CB-CG 4.49Å; K82-E85 WeakPolarHBondContact CD-OE1 3.27Å; K82-E85 IonicContact NZ-OE1 2.69Å; K82-E85 PolarHBondContact O-N 3.44Å; K82-E85 VanDerWaalsContact O-O 3.08Å |
| 83 | V | 77.3 | Confident | 91.7 | Very high | 31 Ų | 31 | 71.1 Ų | 71.1 | 19% | 0.188 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -17.7 | -176.4 | -176.6 | 0 | 0 | 0 | 0 | 114 | V55 A59 A63 A79 E85 | V55-V83 HydrophobicContact CG1-CB 4.24Å; V55-V83 HydrophobicContact CG1-CG1 4.2Å; V55-V83 HydrophobicContact CG1-CG2 4.02Å; V55-V83 HydrophobicContact CG2-CG2 4.02Å; A59-V83 HydrophobicContact CB-CG1 4.28Å; A63-V83 HydrophobicContact CB-CG1 3.92Å; A63-V83 VanDerWaalsContact CB-O 3.25Å; A63-V83 WeakPolarHBondContact CB-O 3.39Å; A79-V83 HydrophobicContact CB-CG1 4.5Å; V83-E85 VanDerWaalsContact C-N 3.32Å |
| 84 | F | 81.4 | Confident | 91.8 | Very high | 72 Ų | 72 | 69.4 Ų | 69.4 | 32% | 0.316 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 1.5 | 174.7 | 54.5 | -93.8 | 0 | 0 | 0 | 114.3 | L66 K82 | L66-F84 VanDerWaalsContact CD1-O 3.32Å; L66-F84 WeakPolarHBondContact CD1-O 3.09Å; K82-F84 HydrophobicContact CB-CD1 4.22Å; K82-F84 HydrophobicContact CB-CD2 4.35Å; K82-F84 HydrophobicContact CB-CE1 3.75Å; K82-F84 HydrophobicContact CB-CE2 3.89Å; K82-F84 HydrophobicContact CB-CZ 3.58Å; K82-F84 HydrophobicContact CD-CE1 4.46Å; K82-F84 HydrophobicContact CD-CE2 3.87Å; K82-F84 HydrophobicContact CD-CZ 3.58Å; K82-F84 HydrophobicContact CG-CE1 4.04Å; K82-F84 HydrophobicContact CG-CE2 4.24Å; K82-F84 HydrophobicContact CG-CZ 3.64Å; K82-F84 PolarHBondContact O-N 3.21Å |
| 85 | E | 89 | Confident | 91.8 | Very high | 73 Ų | 73 | 69.5 Ų | 69.5 | 34% | 0.341 | 35% | 0.349 | S | S | . | . | trans | -120.2 | 137.2 | 171 | -66.4 | 175 | -145.9 | 0 | 0 | 108.3 | K80 K82 V83 | K80-E85 HydrophobicContact CB-CB 4.19Å; K80-E85 HydrophobicContact CD-CB 3.98Å; K80-E85 HydrophobicContact CG-CB 4.27Å; K80-E85 PolarHBondContact N-O 3.2Å; K82-E85 HydrophobicContact CB-CB 4.48Å; K82-E85 HydrophobicContact CB-CG 4.49Å; K82-E85 WeakPolarHBondContact CD-OE1 3.27Å; K82-E85 IonicContact NZ-OE1 2.69Å; K82-E85 PolarHBondContact O-N 3.44Å; K82-E85 VanDerWaalsContact O-O 3.08Å; V83-E85 VanDerWaalsContact C-N 3.32Å | ||
| 86 | V | 93.2 | Very high | 91.8 | Very high | 27 Ų | 27 | 70.6 Ų | 70.6 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 154.7 | 175.8 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | A63 L66 L70 V78 | A63-V86 HydrophobicContact CB-CG1 4.48Å; L66-V86 HydrophobicContact CB-CB 4.46Å; L66-V86 HydrophobicContact CB-CG1 3.83Å; L66-V86 HydrophobicContact CB-CG2 3.72Å; L66-V86 HydrophobicContact CD1-CG1 4.33Å; L70-V86 HydrophobicContact CB-CG2 4.38Å; L70-V86 HydrophobicContact CD2-CB 4.49Å; L70-V86 HydrophobicContact CD2-CG2 3.75Å; V78-V86 CarbonylContact O-C 3.57Å; V78-V86 VanDerWaalsContact O-CA 3.26Å; V78-V86 WeakPolarHBondContact O-CA 3.47Å |
| 87 | E | 95.5 | Very high | 91.7 | Very high | 60 Ų | 60 | 73 Ų | 73 | 28% | 0.28 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 153.8 | 171.9 | 60 | -177.6 | -173.2 | 0 | 0 | 110.9 | V78 K80 K89 | V78-E87 HydrophobicContact CG2-CG 3.92Å; V78-E87 PolarHBondContact N-O 3.36Å; V78-E87 PolarHBondContact O-N 2.02Å; K80-E87 VanDerWaalsContact CE-OE2 3.23Å; K80-E87 WeakPolarHBondContact CE-OE2 3.24Å; K80-E87 HydrophobicContact CG-CB 4.14Å; K80-E87 HydrophobicContact CG-CG 3.77Å; E87-K89 WeakPolarHBondContact OE1-CE 3.33Å; E87-K89 IonicContact OE1-NZ 3.37Å; E87-K89 PolarHBondContact OE1-NZ 3.04Å |
| 88 | C | 97.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 78.1 Ų | 78.1 | 11% | 0.108 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 123.5 | 168.3 | -61.5 | 0 | 0 | 0 | 0 | 109.6 | C72 D97 C99 | C72-C88 VanDerWaalsContact CA-SG 3.52Å; C72-C88 HydrophobicContact CB-CB 3.8Å; C72-C88 WeakPolarHBondContact CB-SG 3.25Å; C72-C88 VanDerWaalsContact SG-CA 3.52Å; C72-C88 WeakPolarHBondContact SG-CB 3.13Å; C72-C88 CovalentContact SG-SG 2.03Å; C72-C88 PolarHBondContact SG-SG 3.09Å; C88-D97 WeakPolarHBondContact CB-O 3.35Å; C88-D97 PolarHBondContact SG-O 3.19Å; C88-C99 WeakPolarHBondContact CB-SG 3.47Å |
| 89 | K | 97.1 | Very high | 91.9 | Very high | 112 Ų | 112 | 76.2 Ų | 76.2 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 109.6 | 161.6 | -68.3 | -66.7 | 178.3 | -162.4 | 0 | 108.1 | G75 L76 V78 E87 | G75-K89 CarbonylContact C-O 3.52Å; G75-K89 WeakPolarHBondContact CA-O 3.46Å; L76-K89 PolarHBondContact N-O 2.85Å; L76-K89 PolarHBondContact O-N 3.02Å; V78-K89 HydrophobicContact CG1-CG 4.18Å; V78-K89 HydrophobicContact CG2-CD 4.43Å; V78-K89 HydrophobicContact CG2-CG 3.56Å; E87-K89 WeakPolarHBondContact OE1-CE 3.33Å; E87-K89 IonicContact OE1-NZ 3.37Å; E87-K89 PolarHBondContact OE1-NZ 3.04Å |
| 90 | C | 97.8 | Very high | 92.2 | Very high | 44 Ų | 44 | 77.9 Ų | 77.9 | 30% | 0.297 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 145.1 | -177.2 | -55.1 | 0 | 0 | 0 | 0 | 112 | W94 G96 C99 | C90-W94 HydrophobicContact CB-CB 4.01Å; C90-W94 WeakPolarHBondContact CB-O 3.25Å; C90-G96 PolarHBondContact SG-O 3.48Å; C90-C99 WeakPolarHBondContact CA-SG 3.14Å; C90-C99 HydrophobicContact CB-CB 3.72Å; C90-C99 WeakPolarHBondContact CB-SG 3.35Å; C90-C99 PolarHBondContact N-SG 3.16Å; C90-C99 WeakPolarHBondContact SG-CA 3.3Å; C90-C99 WeakPolarHBondContact SG-CB 3.17Å; C90-C99 CovalentContact SG-SG 2.04Å; C90-C99 PolarHBondContact SG-SG 3.21Å |
| 91 | Y | 97.1 | Very high | 92.5 | Very high | 139 Ų | 139 | 78.6 Ų | 78.6 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -64 | 158.9 | 165.3 | -59.9 | -44.8 | 0 | 0 | 0 | 109.7 | N74 G93 W94 | N74-Y91 HydrophobicContact CB-CD2 4.31Å; N74-Y91 VanDerWaalsContact O-CD2 3.23Å; N74-Y91 WeakPolarHBondContact O-CD2 3.04Å; N74-Y91 PolarHBondContact O-N 2.96Å; Y91-G93 PolarHBondContact O-N 3.49Å; Y91-W94 PolarHBondContact O-N 3.05Å |
| 92 | M | 95.4 | Very high | 93.2 | Very high | 150 Ų | 150 | 71.4 Ų | 71.4 | 74% | 0.739 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 137.9 | 176.3 | -62.4 | -68.8 | -176 | 0 | 0 | 109.9 | N121 | M92-N121 HydrophobicContact CB-CB 4.37Å; M92-N121 VanDerWaalsContact CB-CG 3.5Å; M92-N121 VanDerWaalsContact CB-OD1 3.3Å; M92-N121 WeakPolarHBondContact CB-OD1 3.5Å; M92-N121 WeakPolarHBondContact O-CB 3.47Å |
| 93 | G | 95.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 68.3 Ų | 68.3 | 8% | 0.082 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -2.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y91 V103 | Y91-G93 PolarHBondContact O-N 3.49Å; G93-V103 WeakPolarHBondContact O-CB 3.4Å; G93-V103 WeakPolarHBondContact O-CG2 3.02Å; G93-V103 PolarHBondContact O-N 2.71Å |
| 94 | W | 97.6 | Very high | 95 | Very high | 56 Ų | 56 | 71.4 Ų | 71.4 | 21% | 0.212 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 148.2 | 179.8 | -64 | 90.2 | 0 | 0 | 0 | 112.7 | N74 C90 Y91 C99 I101 D102 V120 | N74-W94 HydrophobicContact CB-CB 4.04Å; N74-W94 HydrophobicContact CB-CD2 3.44Å; N74-W94 VanDerWaalsContact CB-CD2 3.44Å; N74-W94 HydrophobicContact CB-CE3 4.1Å; N74-W94 HydrophobicContact CB-CG 3.37Å; N74-W94 HydrophobicContact CB-CZ2 4.38Å; N74-W94 VanDerWaalsContact CG-CD2 3.49Å; N74-W94 VanDerWaalsContact ND2-CD2 3.27Å; N74-W94 VanDerWaalsContact ND2-CE2 3.3Å; N74-W94 WeakPolarHBondContact ND2-CH2 3.15Å; N74-W94 VanDerWaalsContact ND2-CZ2 3.29Å; N74-W94 WeakPolarHBondContact ND2-CZ2 3.36Å; N74-W94 WeakPolarHBondContact ND2-CZ3 3.18Å; C90-W94 HydrophobicContact CB-CB 4.01Å; C90-W94 WeakPolarHBondContact CB-O 3.25Å; Y91-W94 PolarHBondContact O-N 3.05Å; W94-C99 HydrophobicContact CB-CB 4.26Å; W94-I101 CarbonylContact C-O 3.5Å; W94-I101 WeakPolarHBondContact CA-O 3.21Å; W94-D102 HydrophobicContact CE3-CB 4.44Å; W94-D102 HydrophobicContact CH2-CB 4.46Å; W94-D102 HydrophobicContact CZ3-CB 4.09Å; W94-V120 HydrophobicContact CZ2-CG1 4.19Å; W94-V120 HydrophobicContact CZ2-CG2 3.86Å |
| 95 | S | 96.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 69.9 Ų | 69.9 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 175 | -179.3 | 69.6 | 0 | 0 | 0 | 0 | 113.2 | C99 T100 I101 | S95-C99 CarbonylContact O-C 3.34Å; S95-C99 VanDerWaalsContact O-CA 3.31Å; S95-C99 WeakPolarHBondContact O-CA 3.4Å; S95-T100 PolarHBondContact O-N 3.28Å; S95-I101 PolarHBondContact N-O 2.04Å; S95-I101 WeakPolarHBondContact O-CB 3.45Å; S95-I101 PolarHBondContact O-N 3.04Å; S95-I101 VanDerWaalsContact O-N 3.08Å; S95-I101 WeakPolarHBondContact OG-CB 3.37Å; S95-I101 WeakPolarHBondContact OG-CG2 3.22Å; S95-I101 PolarHBondContact OG-O 2.77Å |
| 96 | G | 96.3 | Very high | 96.1 | Very high | 32 Ų | 32 | 67.9 Ų | 67.9 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 163.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C90 R98 C99 | C90-G96 PolarHBondContact SG-O 3.48Å; G96-R98 PolarHBondContact O-N 2.99Å; G96-C99 PolarHBondContact O-N 3.46Å |
| 97 | D | 95.3 | Very high | 95.9 | Very high | 153 Ų | 153 | 71.2 Ų | 71.2 | 82% | 0.818 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.9 | -171.5 | -63.3 | -23.1 | 0 | 0 | 0 | 114.2 | C88 | C88-D97 WeakPolarHBondContact CB-O 3.35Å; C88-D97 PolarHBondContact SG-O 3.19Å |
| 98 | R | 96.2 | Very high | 95.6 | Very high | 134 Ų | 134 | 75.6 Ų | 75.6 | 51% | 0.506 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 9.8 | 176.5 | -66.1 | -168.5 | 176.1 | -159.8 | -2.6 | 113.9 | L70 I73 G96 T100 | L70-R98 HydrophobicContact CD1-CG 4.25Å; I73-R98 PolarHBondContact N-O 3.31Å; G96-R98 PolarHBondContact O-N 2.99Å; R98-T100 VanDerWaalsContact C-N 3.26Å; R98-T100 HydrophobicContact CB-CG2 3.89Å; R98-T100 PolarHBondContact O-N 2.92Å |
| 99 | C | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 40.8 | -178 | -49.5 | 0 | 0 | 0 | 0 | 113.2 | N74 C88 C90 W94 S95 G96 | N74-C99 HydrophobicContact CB-CB 4.29Å; N74-C99 WeakPolarHBondContact CB-O 3.17Å; N74-C99 PolarHBondContact ND2-O 3.23Å; N74-C99 WeakPolarHBondContact O-CB 3.42Å; C88-C99 WeakPolarHBondContact CB-SG 3.47Å; C90-C99 WeakPolarHBondContact CA-SG 3.14Å; C90-C99 HydrophobicContact CB-CB 3.72Å; C90-C99 WeakPolarHBondContact CB-SG 3.35Å; C90-C99 PolarHBondContact N-SG 3.16Å; C90-C99 WeakPolarHBondContact SG-CA 3.3Å; C90-C99 WeakPolarHBondContact SG-CB 3.17Å; C90-C99 CovalentContact SG-SG 2.04Å; C90-C99 PolarHBondContact SG-SG 3.21Å; W94-C99 HydrophobicContact CB-CB 4.26Å; S95-C99 CarbonylContact O-C 3.34Å; S95-C99 VanDerWaalsContact O-CA 3.31Å; S95-C99 WeakPolarHBondContact O-CA 3.4Å; G96-C99 PolarHBondContact O-N 3.46Å |
| 100 | T | 96.5 | Very high | 95.2 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | trans | -101.8 | -10 | -178.1 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | I73 S95 R98 | I73-T100 HydrophobicContact CB-CG2 4.37Å; I73-T100 HydrophobicContact CG1-CG2 3.81Å; S95-T100 PolarHBondContact O-N 3.28Å; R98-T100 VanDerWaalsContact C-N 3.26Å; R98-T100 HydrophobicContact CB-CG2 3.89Å; R98-T100 PolarHBondContact O-N 2.92Å | ||
| 101 | I | 95.8 | Very high | 95.2 | Very high | 96 Ų | 96 | 71.7 Ų | 71.7 | 49% | 0.492 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 114.1 | -177.4 | -56.9 | 172.6 | 0 | 0 | 0 | 107.2 | W94 S95 V103 | W94-I101 CarbonylContact C-O 3.5Å; W94-I101 WeakPolarHBondContact CA-O 3.21Å; S95-I101 PolarHBondContact N-O 2.04Å; S95-I101 WeakPolarHBondContact O-CB 3.45Å; S95-I101 PolarHBondContact O-N 3.04Å; S95-I101 VanDerWaalsContact O-N 3.08Å; S95-I101 WeakPolarHBondContact OG-CB 3.37Å; S95-I101 WeakPolarHBondContact OG-CG2 3.22Å; S95-I101 PolarHBondContact OG-O 2.77Å; I101-V103 PolarHBondContact O-N 3.07Å |
| 102 | D | 95 | Very high | 95.1 | Very high | 56 Ų | 56 | 70.3 Ų | 70.3 | 30% | 0.299 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 129.6 | 169.3 | -158.7 | 9.3 | 0 | 0 | 0 | 108.6 | W94 N104 | W94-D102 HydrophobicContact CE3-CB 4.44Å; W94-D102 HydrophobicContact CH2-CB 4.46Å; W94-D102 HydrophobicContact CZ3-CB 4.09Å; D102-N104 PolarHBondContact O-N 3.01Å |
| 103 | V | 95.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 65.4 Ų | 65.4 | 30% | 0.303 | 38% | 0.379 | S | S | . | . | trans | -76.8 | 121.2 | -179.2 | 173.1 | 0 | 0 | 0 | 0 | 107.3 | G93 I101 E105 | G93-V103 WeakPolarHBondContact O-CB 3.4Å; G93-V103 WeakPolarHBondContact O-CG2 3.02Å; G93-V103 PolarHBondContact O-N 2.71Å; I101-V103 PolarHBondContact O-N 3.07Å; V103-E105 VanDerWaalsContact CB-OE1 3.32Å; V103-E105 WeakPolarHBondContact CB-OE1 3.07Å; V103-E105 VanDerWaalsContact CG1-OE1 3.24Å; V103-E105 WeakPolarHBondContact CG1-OE1 3.44Å; V103-E105 PolarHBondContact O-N 2.94Å | ||
| 104 | N | 95.2 | Very high | 95.2 | Very high | 97 Ų | 97 | 65.5 Ų | 65.5 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | trans | -74.3 | 97.4 | 179.1 | -175 | -25.7 | 0 | 0 | 0 | 110.7 | D102 C106 D118 | D102-N104 PolarHBondContact O-N 3.01Å; N104-C106 PolarHBondContact O-N 3.24Å; N104-C106 WeakPolarHBondContact OD1-CA 3.01Å; N104-C106 WeakPolarHBondContact OD1-CB 3.31Å; N104-C106 PolarHBondContact OD1-N 2.88Å; N104-D118 WeakPolarHBondContact CA-OD1 3.06Å | ||
| 105 | E | 95.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 68.8 Ų | 68.8 | 19% | 0.187 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -73.3 | -13.4 | 178.8 | -84.7 | 88.5 | -141.1 | 0 | 0 | 112.8 | V103 A107 N108 A109 D118 N121 G122 Y123 | V103-E105 VanDerWaalsContact CB-OE1 3.32Å; V103-E105 WeakPolarHBondContact CB-OE1 3.07Å; V103-E105 VanDerWaalsContact CG1-OE1 3.24Å; V103-E105 WeakPolarHBondContact CG1-OE1 3.44Å; V103-E105 PolarHBondContact O-N 2.94Å; E105-A107 PolarHBondContact O-N 3.15Å; E105-N108 PolarHBondContact O-N 2.99Å; E105-A109 PolarHBondContact O-N 2.77Å; E105-D118 PolarHBondContact N-OD1 2.94Å; E105-N121 WeakPolarHBondContact OE2-CA 3.4Å; E105-N121 PolarHBondContact OE2-N 3.17Å; E105-G122 PolarHBondContact OE2-N 3.47Å; E105-Y123 HydrophobicContact CB-CD1 4.25Å |
| 106 | C | 96.2 | Very high | 95.3 | Very high | 31 Ų | 31 | 68.5 Ų | 68.5 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -67.4 | -20.6 | 177.9 | -66.3 | 0 | 0 | 0 | 0 | 114.4 | N104 N108 A109 C116 I117 D118 | N104-C106 PolarHBondContact O-N 3.24Å; N104-C106 WeakPolarHBondContact OD1-CA 3.01Å; N104-C106 WeakPolarHBondContact OD1-CB 3.31Å; N104-C106 PolarHBondContact OD1-N 2.88Å; C106-N108 PolarHBondContact O-N 3.41Å; C106-A109 HydrophobicContact CB-CB 4.47Å; C106-A109 PolarHBondContact O-N 3.4Å; C106-A109 VanDerWaalsContact O-N 3.14Å; C106-C116 WeakPolarHBondContact CA-SG 3.29Å; C106-C116 HydrophobicContact CB-CB 3.54Å; C106-C116 WeakPolarHBondContact CB-SG 2.98Å; C106-C116 VanDerWaalsContact SG-C 3.54Å; C106-C116 WeakPolarHBondContact SG-CB 2.92Å; C106-C116 CovalentContact SG-SG 2.03Å; C106-C116 PolarHBondContact SG-SG 2.82Å; C106-I117 VanDerWaalsContact SG-C 3.59Å; C106-D118 PolarHBondContact SG-N 2.04Å; C106-D118 VanDerWaalsContact SG-N 3.41Å |
| 107 | A | 89.2 | Confident | 95.3 | Very high | 97 Ų | 97 | 69.8 Ų | 69.8 | 80% | 0.802 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -60.8 | -26.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | E105 | E105-A107 PolarHBondContact O-N 3.15Š|
| 108 | N | 89.5 | Confident | 95.3 | Very high | 152 Ų | 152 | 64.9 Ų | 64.9 | 81% | 0.813 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -119 | 17.3 | 175.9 | -160.8 | 54.3 | 0 | 0 | 0 | 112.3 | E105 C106 | E105-N108 PolarHBondContact O-N 2.99Å; C106-N108 PolarHBondContact O-N 3.41Å |
| 109 | A | 92 | Very high | 95.3 | Very high | 24 Ų | 24 | 62.2 Ų | 62.2 | 20% | 0.198 | 36% | 0.359 | C | S | . | . | trans | -70.7 | 136.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E105 C106 C111 C116 Y123 | E105-A109 PolarHBondContact O-N 2.77Å; C106-A109 HydrophobicContact CB-CB 4.47Å; C106-A109 PolarHBondContact O-N 3.4Å; C106-A109 VanDerWaalsContact O-N 3.14Å; A109-C111 PolarHBondContact O-N 2.9Å; A109-C116 HydrophobicContact CB-CB 4.04Å; A109-C116 WeakPolarHBondContact CB-SG 3.39Å; A109-Y123 HydrophobicContact CB-CD1 4.14Å; A109-Y123 HydrophobicContact CB-CD2 3.49Å; A109-Y123 VanDerWaalsContact CB-CD2 3.49Å; A109-Y123 HydrophobicContact CB-CE1 4.15Å; A109-Y123 HydrophobicContact CB-CE2 3.5Å; A109-Y123 HydrophobicContact CB-CG 3.83Å | ||
| 110 | G | 94.2 | Very high | 95.1 | Very high | 37 Ų | 37 | 66.2 Ų | 66.2 | 38% | 0.381 | 38% | 0.383 | S | S | . | . | trans | -85.3 | 36.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I112 Y123 S135 | G110-I112 PolarHBondContact O-N 3.07Å; G110-Y123 PolarHBondContact N-OH 3.41Å; G110-S135 VanDerWaalsContact O-CB 3.27Å; G110-S135 WeakPolarHBondContact O-CB 3.5Å | ||
| 111 | C | 96.8 | Very high | 95 | Very high | 28 Ų | 28 | 66.8 Ų | 66.8 | 19% | 0.189 | 38% | 0.383 | C | S | . | . | trans | -76.4 | 104.1 | 179.9 | -54.7 | 0 | 0 | 0 | 0 | 110.3 | A109 C125 | A109-C111 PolarHBondContact O-N 2.9Å; C111-C125 WeakPolarHBondContact CA-SG 3.27Å; C111-C125 HydrophobicContact CB-CB 3.86Å; C111-C125 WeakPolarHBondContact CB-SG 3.1Å; C111-C125 VanDerWaalsContact SG-CA 3.56Å; C111-C125 WeakPolarHBondContact SG-CB 3.32Å; C111-C125 CovalentContact SG-SG 2.03Å; C111-C125 PolarHBondContact SG-SG 2.89Å | ||
| 112 | I | 96.4 | Very high | 94.9 | Very high | 111 Ų | 111 | 63.2 Ų | 63.2 | 57% | 0.569 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -76.5 | -56.2 | -174.5 | -52.9 | -172.3 | 0 | 0 | 0 | 111.1 | G110 S135 A137 | G110-I112 PolarHBondContact O-N 3.07Å; I112-S135 PolarHBondContact N-O 2.8Å; I112-A137 HydrophobicContact CD1-CB 3.59Å; I112-A137 HydrophobicContact CG1-CB 4.42Å |
| 113 | N | 96.1 | Very high | 95 | Very high | 47 Ų | 47 | 65.3 Ų | 65.3 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -122.4 | 55.5 | -179.8 | -57.9 | -73.7 | 0 | 0 | 0 | 110.6 | Y128 F131 C136 | N113-Y128 HydrophobicContact CB-CD2 4.4Å; N113-Y128 VanDerWaalsContact O-CD2 3.31Å; N113-Y128 WeakPolarHBondContact O-CD2 3.14Å; N113-Y128 PolarHBondContact O-N 2.88Å; N113-F131 HydrophobicContact CB-CB 4.04Å; N113-F131 HydrophobicContact CB-CD1 3.62Å; N113-F131 HydrophobicContact CB-CD2 3.55Å; N113-F131 HydrophobicContact CB-CE1 3.89Å; N113-F131 HydrophobicContact CB-CE2 3.81Å; N113-F131 HydrophobicContact CB-CG 3.44Å; N113-F131 VanDerWaalsContact CB-CG 3.44Å; N113-F131 HydrophobicContact CB-CZ 3.97Å; N113-F131 VanDerWaalsContact CG-CE1 3.43Å; N113-F131 WeakPolarHBondContact ND2-CD1 3.41Å; N113-F131 WeakPolarHBondContact ND2-CE1 3.48Å; N113-C136 HydrophobicContact CB-CB 4.39Å; N113-C136 WeakPolarHBondContact CB-O 3.4Å; N113-C136 PolarHBondContact ND2-O 3.37Å; N113-C136 VanDerWaalsContact ND2-O 3.15Å; N113-C136 WeakPolarHBondContact O-CB 2.99Å |
| 114 | G | 96.7 | Very high | 95.1 | Very high | 10 Ų | 10 | 68 Ų | 68 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 173.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E126 | G114-E126 CarbonylContact C-O 3.41Å; G114-E126 WeakPolarHBondContact CA-O 3.01Å |
| 115 | Y | 96.7 | Very high | 95.2 | Very high | 124 Ų | 124 | 63.9 Ų | 63.9 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 148.5 | 170.6 | 67.2 | -85.4 | 0 | 0 | 0 | 110.1 | I117 C125 E126 Y128 | Y115-I117 HydrophobicContact CD2-CG1 4.23Å; Y115-I117 HydrophobicContact CE2-CD1 4.13Å; Y115-I117 HydrophobicContact CE2-CG1 3.84Å; Y115-C125 WeakPolarHBondContact O-CA 3.23Å; Y115-E126 HydrophobicContact CD1-CB 3.86Å; Y115-E126 HydrophobicContact CD2-CB 4.21Å; Y115-E126 HydrophobicContact CE1-CB 3.33Å; Y115-E126 HydrophobicContact CE1-CG 4.22Å; Y115-E126 HydrophobicContact CE2-CB 3.74Å; Y115-E126 HydrophobicContact CE2-CG 3.91Å; Y115-E126 HydrophobicContact CG-CB 4.28Å; Y115-E126 PolarHBondContact N-O 3.28Å; Y115-E126 PolarHBondContact O-N 3.31Å; Y115-Y128 HydrophobicContact CD1-CE1 4.3Å |
| 116 | C | 97.9 | Very high | 95.3 | Very high | 36 Ų | 36 | 64.9 Ų | 64.9 | 24% | 0.243 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 134.7 | 179.6 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | C106 A109 Y123 | C106-C116 WeakPolarHBondContact CA-SG 3.29Å; C106-C116 HydrophobicContact CB-CB 3.54Å; C106-C116 WeakPolarHBondContact CB-SG 2.98Å; C106-C116 VanDerWaalsContact SG-C 3.54Å; C106-C116 WeakPolarHBondContact SG-CB 2.92Å; C106-C116 CovalentContact SG-SG 2.03Å; C106-C116 PolarHBondContact SG-SG 2.82Å; A109-C116 HydrophobicContact CB-CB 4.04Å; A109-C116 WeakPolarHBondContact CB-SG 3.39Å; C116-Y123 VanDerWaalsContact SG-CB 3.54Å |
| 117 | I | 97.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 65.4 Ų | 65.4 | 30% | 0.303 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.3 | 166.7 | -61 | -176.4 | 0 | 0 | 0 | 107.3 | C106 Y115 L119 Y123 K124 E126 | C106-I117 VanDerWaalsContact SG-C 3.59Å; Y115-I117 HydrophobicContact CD2-CG1 4.23Å; Y115-I117 HydrophobicContact CE2-CD1 4.13Å; Y115-I117 HydrophobicContact CE2-CG1 3.84Å; I117-L119 HydrophobicContact CG2-CD2 4.04Å; I117-Y123 CarbonylContact O-C 3.57Å; I117-Y123 VanDerWaalsContact O-CA 3.31Å; I117-Y123 WeakPolarHBondContact O-CA 3.45Å; I117-K124 PolarHBondContact N-O 2.89Å; I117-K124 PolarHBondContact O-N 2.03Å; I117-E126 HydrophobicContact CD1-CG 3.36Å; I117-E126 HydrophobicContact CG1-CG 3.98Å |
| 118 | D | 95.9 | Very high | 95.6 | Very high | 51 Ų | 51 | 67 Ų | 67 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 132.4 | 173.3 | -161.4 | 41.5 | 0 | 0 | 0 | 109.7 | N104 E105 C106 | N104-D118 WeakPolarHBondContact CA-OD1 3.06Å; E105-D118 PolarHBondContact N-OD1 2.94Å; C106-D118 PolarHBondContact SG-N 2.04Å; C106-D118 VanDerWaalsContact SG-N 3.41Å |
| 119 | L | 95.2 | Very high | 95.7 | Very high | 78 Ų | 78 | 66.4 Ų | 66.4 | 41% | 0.408 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 162 | 178.5 | -60.5 | 176.5 | 0 | 0 | 0 | 107.8 | I117 N121 G122 K124 | I117-L119 HydrophobicContact CG2-CD2 4.04Å; L119-N121 PolarHBondContact O-N 3.5Å; L119-G122 CarbonylContact C-O 3.17Å; L119-G122 WeakPolarHBondContact CA-O 3.33Å; L119-G122 PolarHBondContact N-O 3.22Å; L119-G122 PolarHBondContact O-N 2.87Å; L119-K124 HydrophobicContact CD1-CB 3.87Å |
| 120 | V | 92.7 | Very high | 95.7 | Very high | 84 Ų | 84 | 65.5 Ų | 65.5 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 118 | 174.7 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | W94 G122 | W94-V120 HydrophobicContact CZ2-CG1 4.19Å; W94-V120 HydrophobicContact CZ2-CG2 3.86Å; V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 2.9Å |
| 121 | N | 94 | Very high | 95.7 | Very high | 94 Ų | 94 | 65.9 Ų | 65.9 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 39.6 | 177.9 | -171.3 | 41.9 | 0 | 0 | 0 | 113.1 | M92 E105 L119 | M92-N121 HydrophobicContact CB-CB 4.37Å; M92-N121 VanDerWaalsContact CB-CG 3.5Å; M92-N121 VanDerWaalsContact CB-OD1 3.3Å; M92-N121 WeakPolarHBondContact CB-OD1 3.5Å; M92-N121 WeakPolarHBondContact O-CB 3.47Å; E105-N121 WeakPolarHBondContact OE2-CA 3.4Å; E105-N121 PolarHBondContact OE2-N 3.17Å; L119-N121 PolarHBondContact O-N 3.5Å |
| 122 | G | 94.3 | Very high | 95.6 | Very high | 21 Ų | 21 | 67.4 Ų | 67.4 | 22% | 0.216 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.8 | -172.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E105 L119 V120 | E105-G122 PolarHBondContact OE2-N 3.47Å; L119-G122 CarbonylContact C-O 3.17Å; L119-G122 WeakPolarHBondContact CA-O 3.33Å; L119-G122 PolarHBondContact N-O 3.22Å; L119-G122 PolarHBondContact O-N 2.87Å; V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 2.9Å |
| 123 | Y | 96.8 | Very high | 95.6 | Very high | 101 Ų | 101 | 63.6 Ų | 63.6 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 162.7 | 178 | 67.8 | -87.2 | 0 | 0 | 0 | 110.9 | E105 A109 G110 C116 I117 | E105-Y123 HydrophobicContact CB-CD1 4.25Å; A109-Y123 HydrophobicContact CB-CD1 4.14Å; A109-Y123 HydrophobicContact CB-CD2 3.49Å; A109-Y123 VanDerWaalsContact CB-CD2 3.49Å; A109-Y123 HydrophobicContact CB-CE1 4.15Å; A109-Y123 HydrophobicContact CB-CE2 3.5Å; A109-Y123 HydrophobicContact CB-CG 3.83Å; G110-Y123 PolarHBondContact N-OH 3.41Å; C116-Y123 VanDerWaalsContact SG-CB 3.54Å; I117-Y123 CarbonylContact O-C 3.57Å; I117-Y123 VanDerWaalsContact O-CA 3.31Å; I117-Y123 WeakPolarHBondContact O-CA 3.45Å |
| 124 | K | 97.5 | Very high | 95.6 | Very high | 106 Ų | 106 | 65.9 Ų | 65.9 | 46% | 0.461 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.5 | 171.1 | -177.6 | -171.3 | 178.2 | -154.9 | 0 | 109.4 | I117 L119 E126 | I117-K124 PolarHBondContact N-O 2.89Å; I117-K124 PolarHBondContact O-N 2.03Å; L119-K124 HydrophobicContact CD1-CB 3.87Å; K124-E126 WeakPolarHBondContact CE-OE1 3.29Å; K124-E126 IonicContact NZ-OE1 3.97Å; K124-E126 PolarHBondContact NZ-OE1 3.5Å |
| 125 | C | 98.2 | Very high | 95.6 | Very high | 11 Ų | 11 | 67.6 Ų | 67.6 | 7% | 0.074 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 129.3 | 168.8 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | C111 Y115 A134 C136 | C111-C125 WeakPolarHBondContact CA-SG 3.27Å; C111-C125 HydrophobicContact CB-CB 3.86Å; C111-C125 WeakPolarHBondContact CB-SG 3.1Å; C111-C125 VanDerWaalsContact SG-CA 3.56Å; C111-C125 WeakPolarHBondContact SG-CB 3.32Å; C111-C125 CovalentContact SG-SG 2.03Å; C111-C125 PolarHBondContact SG-SG 2.89Å; Y115-C125 WeakPolarHBondContact O-CA 3.23Å; C125-A134 WeakPolarHBondContact CB-O 3.34Å; C125-A134 PolarHBondContact SG-O 3.32Å; C125-C136 VanDerWaalsContact CB-SG 3.57Å |
| 126 | E | 97.7 | Very high | 95.7 | Very high | 61 Ų | 61 | 61.7 Ų | 61.7 | 29% | 0.285 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 116.6 | 164.1 | -73.1 | -67 | 162.9 | 0 | 0 | 108.5 | G114 Y115 I117 K124 | G114-E126 CarbonylContact C-O 3.41Å; G114-E126 WeakPolarHBondContact CA-O 3.01Å; Y115-E126 HydrophobicContact CD1-CB 3.86Å; Y115-E126 HydrophobicContact CD2-CB 4.21Å; Y115-E126 HydrophobicContact CE1-CB 3.33Å; Y115-E126 HydrophobicContact CE1-CG 4.22Å; Y115-E126 HydrophobicContact CE2-CB 3.74Å; Y115-E126 HydrophobicContact CE2-CG 3.91Å; Y115-E126 HydrophobicContact CG-CB 4.28Å; Y115-E126 PolarHBondContact N-O 3.28Å; Y115-E126 PolarHBondContact O-N 3.31Å; I117-E126 HydrophobicContact CD1-CG 3.36Å; I117-E126 HydrophobicContact CG1-CG 3.98Å; K124-E126 WeakPolarHBondContact CE-OE1 3.29Å; K124-E126 IonicContact NZ-OE1 3.97Å; K124-E126 PolarHBondContact NZ-OE1 3.5Å |
| 127 | C | 97.2 | Very high | 95.6 | Very high | 41 Ų | 41 | 62.4 Ų | 62.4 | 28% | 0.277 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 142.1 | -171.7 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | F131 G133 C136 | C127-F131 HydrophobicContact CB-CB 4.16Å; C127-F131 VanDerWaalsContact CB-O 3.27Å; C127-F131 WeakPolarHBondContact CB-O 3.24Å; C127-G133 PolarHBondContact SG-O 3.28Å; C127-C136 WeakPolarHBondContact CA-SG 3.27Å; C127-C136 HydrophobicContact CB-CB 3.71Å; C127-C136 WeakPolarHBondContact CB-SG 3.46Å; C127-C136 PolarHBondContact N-SG 2.82Å; C127-C136 WeakPolarHBondContact SG-CA 3.02Å; C127-C136 WeakPolarHBondContact SG-CB 3.34Å; C127-C136 CovalentContact SG-SG 2.04Å; C127-C136 PolarHBondContact SG-SG 3.18Å |
| 128 | Y | 95.2 | Very high | 95.5 | Very high | 131 Ų | 131 | 64.3 Ų | 64.3 | 51% | 0.514 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 158.7 | 167.3 | -60.6 | -45.2 | 0 | 0 | 0 | 110.4 | N113 Y115 G130 F131 | N113-Y128 HydrophobicContact CB-CD2 4.4Å; N113-Y128 VanDerWaalsContact O-CD2 3.31Å; N113-Y128 WeakPolarHBondContact O-CD2 3.14Å; N113-Y128 PolarHBondContact O-N 2.88Å; Y115-Y128 HydrophobicContact CD1-CE1 4.3Å; Y128-G130 PolarHBondContact O-N 2.79Å; Y128-F131 PolarHBondContact O-N 2.04Å |
| 129 | I | 90.5 | Very high | 95.3 | Very high | 140 Ų | 140 | 67 Ų | 67 | 72% | 0.718 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 134.2 | 176.4 | -168.5 | 168 | 0 | 0 | 0 | 110.5 | Y145 | I129-Y145 HydrophobicContact CD1-CD2 4.18Å; I129-Y145 HydrophobicContact CG1-CD2 3.67Å; I129-Y145 HydrophobicContact CG1-CE2 4.22Å |
| 130 | G | 91.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 7.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y128 L140 | Y128-G130 PolarHBondContact O-N 2.79Å; G130-L140 PolarHBondContact O-N 3.16Å |
| 131 | F | 95.2 | Very high | 95.1 | Very high | 45 Ų | 45 | 63.5 Ų | 63.5 | 20% | 0.197 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 153.4 | 174.4 | -62.8 | -86.9 | 0 | 0 | 0 | 112.7 | N113 C127 Y128 C136 I138 E139 | N113-F131 HydrophobicContact CB-CB 4.04Å; N113-F131 HydrophobicContact CB-CD1 3.62Å; N113-F131 HydrophobicContact CB-CD2 3.55Å; N113-F131 HydrophobicContact CB-CE1 3.89Å; N113-F131 HydrophobicContact CB-CE2 3.81Å; N113-F131 HydrophobicContact CB-CG 3.44Å; N113-F131 VanDerWaalsContact CB-CG 3.44Å; N113-F131 HydrophobicContact CB-CZ 3.97Å; N113-F131 VanDerWaalsContact CG-CE1 3.43Å; N113-F131 WeakPolarHBondContact ND2-CD1 3.41Å; N113-F131 WeakPolarHBondContact ND2-CE1 3.48Å; C127-F131 HydrophobicContact CB-CB 4.16Å; C127-F131 VanDerWaalsContact CB-O 3.27Å; C127-F131 WeakPolarHBondContact CB-O 3.24Å; Y128-F131 PolarHBondContact O-N 2.04Å; F131-C136 HydrophobicContact CB-CB 4.39Å; F131-I138 CarbonylContact C-O 3.56Å; F131-I138 VanDerWaalsContact CA-O 3.23Å; F131-I138 WeakPolarHBondContact CA-O 3.46Å; F131-E139 HydrophobicContact CD1-CB 4.3Å; F131-E139 HydrophobicContact CE1-CB 4.07Å; F131-E139 HydrophobicContact CE1-CG 4.15Å |
| 132 | T | 95.2 | Very high | 94.8 | Very high | 60 Ų | 60 | 59.3 Ų | 59.3 | 37% | 0.368 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 176.3 | 178.7 | -165.5 | 0 | 0 | 0 | 0 | 112.5 | C136 I138 L140 | T132-C136 CarbonylContact O-C 3.43Å; T132-C136 WeakPolarHBondContact O-CA 3.48Å; T132-I138 HydrophobicContact CG2-CB 3.74Å; T132-I138 HydrophobicContact CG2-CD1 4.47Å; T132-I138 HydrophobicContact CG2-CG2 3.76Å; T132-I138 PolarHBondContact N-O 3Å; T132-I138 WeakPolarHBondContact O-CB 3.29Å; T132-I138 PolarHBondContact O-N 3.37Å; T132-L140 HydrophobicContact CG2-CD2 3.52Å; T132-L140 HydrophobicContact CG2-CG 3.99Å |
| 133 | G | 96.1 | Very high | 94.7 | Very high | 30 Ų | 30 | 59.6 Ų | 59.6 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 90.8 | 165.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C127 S135 C136 | C127-G133 PolarHBondContact SG-O 3.28Å; G133-S135 PolarHBondContact O-N 2.99Å; G133-S135 VanDerWaalsContact O-N 3.16Å; G133-C136 PolarHBondContact O-N 2.76Å |
| 134 | A | 95.7 | Very high | 94.3 | Very high | 96 Ų | 96 | 60.6 Ų | 60.6 | 79% | 0.793 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -30.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | C125 | C125-A134 WeakPolarHBondContact CB-O 3.34Å; C125-A134 PolarHBondContact SG-O 3.32Å |
| 135 | S | 97 | Very high | 93.7 | Very high | 46 Ų | 46 | 58.9 Ų | 58.9 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 3.6 | 176.5 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | G110 I112 G133 A137 | G110-S135 VanDerWaalsContact O-CB 3.27Å; G110-S135 WeakPolarHBondContact O-CB 3.5Å; I112-S135 PolarHBondContact N-O 2.8Å; G133-S135 PolarHBondContact O-N 2.99Å; G133-S135 VanDerWaalsContact O-N 3.16Å; S135-A137 PolarHBondContact O-N 2.78Å; S135-A137 WeakPolarHBondContact OG-CB 3.37Å |
| 136 | C | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 56.5 | 31.1 | -173.6 | -50.9 | 0 | 0 | 0 | 0 | 113.9 | N113 C125 C127 F131 T132 G133 | N113-C136 HydrophobicContact CB-CB 4.39Å; N113-C136 WeakPolarHBondContact CB-O 3.4Å; N113-C136 PolarHBondContact ND2-O 3.37Å; N113-C136 VanDerWaalsContact ND2-O 3.15Å; N113-C136 WeakPolarHBondContact O-CB 2.99Å; C125-C136 VanDerWaalsContact CB-SG 3.57Å; C127-C136 WeakPolarHBondContact CA-SG 3.27Å; C127-C136 HydrophobicContact CB-CB 3.71Å; C127-C136 WeakPolarHBondContact CB-SG 3.46Å; C127-C136 PolarHBondContact N-SG 2.82Å; C127-C136 WeakPolarHBondContact SG-CA 3.02Å; C127-C136 WeakPolarHBondContact SG-CB 3.34Å; C127-C136 CovalentContact SG-SG 2.04Å; C127-C136 PolarHBondContact SG-SG 3.18Å; F131-C136 HydrophobicContact CB-CB 4.39Å; T132-C136 CarbonylContact O-C 3.43Å; T132-C136 WeakPolarHBondContact O-CA 3.48Å; G133-C136 PolarHBondContact O-N 2.76Å |
| 137 | A | 97.1 | Very high | 92.3 | Very high | 51 Ų | 51 | 64.2 Ų | 64.2 | 42% | 0.421 | 38% | 0.376 | S | S | . | . | trans | -83.6 | -18.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I112 S135 | I112-A137 HydrophobicContact CD1-CB 3.59Å; I112-A137 HydrophobicContact CG1-CB 4.42Å; S135-A137 PolarHBondContact O-N 2.78Å; S135-A137 WeakPolarHBondContact OG-CB 3.37Å | ||
| 138 | I | 94.5 | Very high | 91.9 | Very high | 99 Ų | 99 | 64.8 Ų | 64.8 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 117.7 | -173.4 | -55.8 | 171.6 | 0 | 0 | 0 | 108.3 | F131 T132 | F131-I138 CarbonylContact C-O 3.56Å; F131-I138 VanDerWaalsContact CA-O 3.23Å; F131-I138 WeakPolarHBondContact CA-O 3.46Å; T132-I138 HydrophobicContact CG2-CB 3.74Å; T132-I138 HydrophobicContact CG2-CD1 4.47Å; T132-I138 HydrophobicContact CG2-CG2 3.76Å; T132-I138 PolarHBondContact N-O 3Å; T132-I138 WeakPolarHBondContact O-CB 3.29Å; T132-I138 PolarHBondContact O-N 3.37Å |
| 139 | E | 92.7 | Very high | 91.8 | Very high | 106 Ų | 106 | 64.2 Ų | 64.2 | 50% | 0.495 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 125.9 | 171.9 | -168 | 169.1 | -159 | 0 | 0 | 109.2 | F131 K160 | F131-E139 HydrophobicContact CD1-CB 4.3Å; F131-E139 HydrophobicContact CE1-CB 4.07Å; F131-E139 HydrophobicContact CE1-CG 4.15Å; E139-K160 WeakPolarHBondContact OE1-CE 3.05Å; E139-K160 IonicContact OE1-NZ 2.7Å; E139-K160 PolarHBondContact OE1-NZ 3.46Å |
| 140 | L | 92.2 | Very high | 92 | Very high | 50 Ų | 50 | 57.9 Ų | 57.9 | 26% | 0.262 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 148.3 | 175.6 | -71.4 | 171.9 | 0 | 0 | 0 | 110 | G130 T132 Y145 | G130-L140 PolarHBondContact O-N 3.16Å; T132-L140 HydrophobicContact CG2-CD2 3.52Å; T132-L140 HydrophobicContact CG2-CG 3.99Å; L140-Y145 HydrophobicContact CB-CD1 3.68Å; L140-Y145 HydrophobicContact CB-CG 4.37Å; L140-Y145 WeakPolarHBondContact O-CE1 3.49Å |
| 141 | S | 90.2 | Very high | 92.1 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 137.3 | 169.5 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | C143 D144 Y145 | S141-C143 PolarHBondContact O-N 3.06Å; S141-C143 PolarHBondContact OG-N 3.32Å; S141-D144 VanDerWaalsContact CB-OD2 3.24Å; S141-D144 WeakPolarHBondContact CB-OD2 3.15Å; S141-D144 PolarHBondContact O-N 3.15Å; S141-Y145 WeakPolarHBondContact O-CD1 3.5Å; S141-Y145 PolarHBondContact O-N 3.26Å |
| 142 | P | 89.4 | Confident | 92 | Very high | 7 Ų | 7 | 62.7 Ų | 62.7 | 5% | 0.045 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -50.7 | -23.5 | 168.8 | -26.6 | 32.4 | 0 | 0 | 0 | 114.6 | Y145 V146 A157 G159 K160 P162 | P142-Y145 HydrophobicContact CB-CE1 4.2Å; P142-Y145 HydrophobicContact CG-CE1 4.22Å; P142-V146 WeakPolarHBondContact O-CB 3.48Å; P142-V146 PolarHBondContact O-N 2.03Å; P142-A157 HydrophobicContact CG-CB 4.22Å; P142-G159 WeakPolarHBondContact CG-O 3.13Å; P142-K160 WeakPolarHBondContact CG-O 3.24Å; P142-P162 HydrophobicContact CB-CB 3.93Å; P142-P162 HydrophobicContact CB-CG 4.05Å |
| 143 | C | 91.6 | Very high | 92 | Very high | 27 Ų | 27 | 60.6 Ų | 60.6 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -76.5 | -20 | 173.8 | -65.7 | 0 | 0 | 0 | 0 | 114.7 | S141 C155 V156 | S141-C143 PolarHBondContact O-N 3.06Å; S141-C143 PolarHBondContact OG-N 3.32Å; C143-C155 WeakPolarHBondContact CA-SG 3.08Å; C143-C155 HydrophobicContact CB-CB 3.66Å; C143-C155 WeakPolarHBondContact CB-SG 2.99Å; C143-C155 WeakPolarHBondContact SG-CB 3.45Å; C143-C155 CovalentContact SG-SG 2.04Å; C143-C155 PolarHBondContact SG-SG 3.23Å; C143-V156 VanDerWaalsContact SG-CA 3.56Å; C143-V156 PolarHBondContact SG-N 3.21Å |
| 144 | D | 88.2 | Confident | 91.9 | Very high | 122 Ų | 122 | 67.2 Ų | 67.2 | 65% | 0.652 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -97.1 | -29.2 | -175.5 | -60.6 | -27.4 | 0 | 0 | 0 | 112.2 | S141 | S141-D144 VanDerWaalsContact CB-OD2 3.24Å; S141-D144 WeakPolarHBondContact CB-OD2 3.15Å; S141-D144 PolarHBondContact O-N 3.15Å |
| 145 | Y | 84.4 | Confident | 91.9 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 28% | 0.275 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -109.4 | -17.1 | -175.4 | 77.2 | -100.6 | 0 | 0 | 0 | 114.9 | I129 L140 S141 P142 | I129-Y145 HydrophobicContact CD1-CD2 4.18Å; I129-Y145 HydrophobicContact CG1-CD2 3.67Å; I129-Y145 HydrophobicContact CG1-CE2 4.22Å; L140-Y145 HydrophobicContact CB-CD1 3.68Å; L140-Y145 HydrophobicContact CB-CG 4.37Å; L140-Y145 WeakPolarHBondContact O-CE1 3.49Å; S141-Y145 WeakPolarHBondContact O-CD1 3.5Å; S141-Y145 PolarHBondContact O-N 3.26Å; P142-Y145 HydrophobicContact CB-CE1 4.2Å; P142-Y145 HydrophobicContact CG-CE1 4.22Å |
| 146 | V | 81.9 | Confident | 91.7 | Very high | 57 Ų | 57 | 64.3 Ų | 64.3 | 35% | 0.345 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -100.2 | 132.8 | 167.4 | -173.8 | 0 | 0 | 0 | 0 | 106.7 | P142 Y148 | P142-V146 WeakPolarHBondContact O-CB 3.48Å; P142-V146 PolarHBondContact O-N 2.03Å; V146-Y148 PolarHBondContact O-N 2.04Å |
| 147 | S | 84.2 | Confident | 91.4 | Very high | 126 Ų | 126 | 66.5 Ų | 66.5 | 88% | 0.881 | 37% | 0.374 | S | S | * | . | trans | -69.6 | 78.7 | 170.5 | 63.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 148 | Y | 89.7 | Confident | 90.9 | Very high | 53 Ų | 53 | 72 Ų | 72 | 21% | 0.208 | 39% | 0.389 | C | S | . | . | trans | -99.8 | 91.5 | -177.9 | -158.3 | -100.8 | 0 | 0 | 0 | 109.5 | V146 C150 P162 C164 L173 H174 | V146-Y148 PolarHBondContact O-N 2.04Å; Y148-C150 PolarHBondContact O-N 3.48Å; Y148-P162 HydrophobicContact CD1-CB 3.86Å; Y148-P162 HydrophobicContact CD1-CG 4.25Å; Y148-P162 HydrophobicContact CD2-CB 4.25Å; Y148-P162 HydrophobicContact CD2-CG 3.72Å; Y148-P162 HydrophobicContact CE1-CB 4.29Å; Y148-P162 HydrophobicContact CE2-CG 4.08Å; Y148-P162 HydrophobicContact CG-CB 3.82Å; Y148-P162 HydrophobicContact CG-CG 3.8Å; Y148-C164 WeakPolarHBondContact CE1-SG 3.33Å; Y148-L173 WeakPolarHBondContact OH-CD2 3.03Å; Y148-H174 AromaticContact CE2-CE1 3.78Å; Y148-H174 AromaticContact CZ-CE1 3.86Å | ||
| 149 | D | 93.1 | Very high | 90.4 | Very high | 119 Ų | 119 | 70.4 Ų | 70.4 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | trans | -73.5 | 125.8 | -179.3 | -174.2 | 11 | 0 | 0 | 0 | 110.6 | G151 H174 | D149-G151 PolarHBondContact OD1-N 3.28Å; D149-H174 PolarHBondContact O-ND1 2.9Å | ||
| 150 | C | 94.5 | Very high | 90.1 | Very high | 7 Ų | 7 | 72.3 Ų | 72.3 | 5% | 0.047 | 40% | 0.403 | C | S | . | . | trans | -108.3 | 13.1 | 177.2 | -69.8 | 0 | 0 | 0 | 0 | 112.9 | Y148 K152 G153 C155 C164 H174 C175 | Y148-C150 PolarHBondContact O-N 3.48Å; C150-K152 CarbonylContact O-C 3.56Å; C150-K152 PolarHBondContact O-N 2.86Å; C150-G153 WeakPolarHBondContact O-CA 3.38Å; C150-G153 PolarHBondContact O-N 3.18Å; C150-C155 VanDerWaalsContact SG-CA 3.58Å; C150-C164 WeakPolarHBondContact CA-SG 3.41Å; C150-C164 HydrophobicContact CB-CB 3.69Å; C150-C164 WeakPolarHBondContact CB-SG 3.05Å; C150-C164 WeakPolarHBondContact SG-CA 3.17Å; C150-C164 WeakPolarHBondContact SG-CB 3.44Å; C150-C164 CovalentContact SG-SG 2.03Å; C150-C164 PolarHBondContact SG-SG 3.39Å; C150-H174 CarbonylContact C-O 3.5Å; C150-H174 VanDerWaalsContact O-O 3.08Å; C150-C175 WeakPolarHBondContact O-CB 3.03Å | ||
| 151 | G | 93.6 | Very high | 89.9 | Confident | 44 Ų | 44 | 75.7 Ų | 75.7 | 45% | 0.454 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 50.9 | -100 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D149 H174 | D149-G151 PolarHBondContact OD1-N 3.28Å; G151-H174 PolarHBondContact N-O 3.29Å |
| 152 | K | 93.2 | Very high | 90 | Very high | 108 Ų | 108 | 74.8 Ų | 74.8 | 47% | 0.47 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -101.8 | 60.4 | 174.6 | -65 | -75.8 | 179.7 | -75.4 | 0 | 110.9 | C150 L167 Y170 | C150-K152 CarbonylContact O-C 3.56Å; C150-K152 PolarHBondContact O-N 2.86Å; K152-L167 HydrophobicContact CB-CD1 4.19Å; K152-L167 HydrophobicContact CD-CD1 4.49Å; K152-L167 VanDerWaalsContact O-CB 3.27Å; K152-L167 WeakPolarHBondContact O-CB 3.21Å; K152-L167 VanDerWaalsContact O-CG 3.32Å; K152-L167 WeakPolarHBondContact O-CG 3.35Å; K152-L167 PolarHBondContact O-N 3.25Å; K152-Y170 HydrophobicContact CB-CD1 3.72Å; K152-Y170 HydrophobicContact CB-CD2 3.68Å; K152-Y170 HydrophobicContact CB-CE1 3.87Å; K152-Y170 HydrophobicContact CB-CE2 3.81Å; K152-Y170 HydrophobicContact CB-CG 3.63Å; K152-Y170 HydrophobicContact CD-CE2 4.3Å; K152-Y170 HydrophobicContact CG-CD1 4Å; K152-Y170 HydrophobicContact CG-CD2 4.35Å; K152-Y170 HydrophobicContact CG-CE1 3.63Å; K152-Y170 HydrophobicContact CG-CE2 3.99Å; K152-Y170 HydrophobicContact CG-CG 4.34Å |
| 153 | G | 94.9 | Very high | 90.2 | Very high | 16 Ų | 16 | 78.3 Ų | 78.3 | 17% | 0.165 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | -174.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C150 L165 | C150-G153 WeakPolarHBondContact O-CA 3.38Å; C150-G153 PolarHBondContact O-N 3.18Å; G153-L165 CarbonylContact C-O 3.52Å; G153-L165 WeakPolarHBondContact CA-O 3.44Å |
| 154 | W | 94.8 | Very high | 90.3 | Very high | 169 Ų | 169 | 78 Ų | 78 | 64% | 0.64 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.4 | 175.8 | -55.1 | -77.5 | 0 | 0 | 0 | 110.9 | L165 L167 | W154-L165 PolarHBondContact N-O 2.03Å; W154-L165 PolarHBondContact O-N 3.14Å; W154-L167 HydrophobicContact CE3-CD2 4.34Å; W154-L167 HydrophobicContact CH2-CD2 3.15Å; W154-L167 HydrophobicContact CH2-CG 4.37Å; W154-L167 HydrophobicContact CZ2-CD2 3.71Å; W154-L167 HydrophobicContact CZ3-CD2 3.51Å; W154-L167 HydrophobicContact CZ3-CG 4.46Å |
| 155 | C | 95 | Very high | 90.7 | Very high | 36 Ų | 36 | 76.5 Ų | 76.5 | 24% | 0.243 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 138.4 | 175.8 | -174 | 0 | 0 | 0 | 0 | 110.6 | C143 C150 | C143-C155 WeakPolarHBondContact CA-SG 3.08Å; C143-C155 HydrophobicContact CB-CB 3.66Å; C143-C155 WeakPolarHBondContact CB-SG 2.99Å; C143-C155 WeakPolarHBondContact SG-CB 3.45Å; C143-C155 CovalentContact SG-SG 2.04Å; C143-C155 PolarHBondContact SG-SG 3.23Å; C150-C155 VanDerWaalsContact SG-CA 3.58Å |
| 156 | V | 93.5 | Very high | 91.1 | Very high | 44 Ų | 44 | 75.3 Ų | 75.3 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 149.5 | 172.5 | -73.3 | 0 | 0 | 0 | 0 | 109.8 | C143 F163 L165 | C143-V156 VanDerWaalsContact SG-CA 3.56Å; C143-V156 PolarHBondContact SG-N 3.21Å; V156-F163 HydrophobicContact CB-CE1 4.08Å; V156-F163 HydrophobicContact CB-CE2 4.47Å; V156-F163 HydrophobicContact CB-CZ 4.03Å; V156-F163 HydrophobicContact CG2-CD1 3.86Å; V156-F163 HydrophobicContact CG2-CD2 3.57Å; V156-F163 HydrophobicContact CG2-CE1 3.46Å; V156-F163 VanDerWaalsContact CG2-CE1 3.46Å; V156-F163 HydrophobicContact CG2-CE2 3.2Å; V156-F163 HydrophobicContact CG2-CG 3.9Å; V156-F163 HydrophobicContact CG2-CZ 3.15Å; V156-F163 VanDerWaalsContact CG2-O 3.29Å; V156-F163 WeakPolarHBondContact CG2-O 3.23Å; V156-F163 PolarHBondContact N-O 2.95Å; V156-F163 WeakPolarHBondContact O-CD1 3.43Å; V156-F163 WeakPolarHBondContact O-CE1 3.44Å; V156-F163 PolarHBondContact O-N 2.87Å; V156-L165 HydrophobicContact CG1-CD1 3.89Å; V156-L165 HydrophobicContact CG1-CG 4.37Å; V156-L165 HydrophobicContact CG2-CD1 4.03Å; V156-L165 HydrophobicContact CG2-CD2 4.43Å; V156-L165 HydrophobicContact CG2-CG 3.71Å |
| 157 | A | 90.9 | Very high | 91.5 | Very high | 47 Ų | 47 | 75.1 Ų | 75.1 | 39% | 0.388 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P142 | P142-A157 HydrophobicContact CG-CB 4.22Å |
| 158 | K | 85.7 | Confident | 91.6 | Very high | 166 Ų | 166 | 74 Ų | 74 | 72% | 0.722 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 89.8 | 165 | -169.7 | 174.8 | -177.8 | 179.8 | 0 | 108.6 | K160 I161 F163 | K158-K160 PolarHBondContact O-N 2.78Å; K158-I161 PolarHBondContact N-O 2.69Å; K158-I161 PolarHBondContact O-N 2.92Å; K158-F163 HydrophobicContact CB-CD1 3.81Å; K158-F163 HydrophobicContact CB-CE1 3.54Å |
| 159 | G | 85.9 | Confident | 91.4 | Very high | 66 Ų | 66 | 72.1 Ų | 72.1 | 68% | 0.68 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | -122.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P142 | P142-G159 WeakPolarHBondContact CG-O 3.13Š|
| 160 | K | 85.1 | Confident | 91.2 | Very high | 145 Ų | 145 | 70.5 Ų | 70.5 | 63% | 0.63 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 2.7 | -179.4 | -61.1 | -166 | 176.3 | -155.1 | 0 | 115 | E139 P142 K158 | E139-K160 WeakPolarHBondContact OE1-CE 3.05Å; E139-K160 IonicContact OE1-NZ 2.7Å; E139-K160 PolarHBondContact OE1-NZ 3.46Å; P142-K160 WeakPolarHBondContact CG-O 3.24Å; K158-K160 PolarHBondContact O-N 2.78Å |
| 161 | I | 87.6 | Confident | 91 | Very high | 121 Ų | 121 | 73.3 Ų | 73.3 | 62% | 0.621 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.7 | -174.8 | -56.5 | 173 | 0 | 0 | 0 | 109.2 | K158 | K158-I161 PolarHBondContact N-O 2.69Å; K158-I161 PolarHBondContact O-N 2.92Å |
| 162 | P | 92.4 | Very high | 90.9 | Very high | 20 Ų | 20 | 72.6 Ų | 72.6 | 13% | 0.13 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 144 | 170.5 | 31.6 | -29.3 | 0 | 0 | 0 | 110.4 | P142 Y148 | P142-P162 HydrophobicContact CB-CB 3.93Å; P142-P162 HydrophobicContact CB-CG 4.05Å; Y148-P162 HydrophobicContact CD1-CB 3.86Å; Y148-P162 HydrophobicContact CD1-CG 4.25Å; Y148-P162 HydrophobicContact CD2-CB 4.25Å; Y148-P162 HydrophobicContact CD2-CG 3.72Å; Y148-P162 HydrophobicContact CE1-CB 4.29Å; Y148-P162 HydrophobicContact CE2-CG 4.08Å; Y148-P162 HydrophobicContact CG-CB 3.82Å; Y148-P162 HydrophobicContact CG-CG 3.8Å |
| 163 | F | 93.6 | Very high | 90.8 | Very high | 81 Ų | 81 | 72.8 Ų | 72.8 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 155.7 | 172.3 | 69 | -79.5 | 0 | 0 | 0 | 110.5 | V156 K158 L165 | V156-F163 HydrophobicContact CB-CE1 4.08Å; V156-F163 HydrophobicContact CB-CE2 4.47Å; V156-F163 HydrophobicContact CB-CZ 4.03Å; V156-F163 HydrophobicContact CG2-CD1 3.86Å; V156-F163 HydrophobicContact CG2-CD2 3.57Å; V156-F163 HydrophobicContact CG2-CE1 3.46Å; V156-F163 VanDerWaalsContact CG2-CE1 3.46Å; V156-F163 HydrophobicContact CG2-CE2 3.2Å; V156-F163 HydrophobicContact CG2-CG 3.9Å; V156-F163 HydrophobicContact CG2-CZ 3.15Å; V156-F163 VanDerWaalsContact CG2-O 3.29Å; V156-F163 WeakPolarHBondContact CG2-O 3.23Å; V156-F163 PolarHBondContact N-O 2.95Å; V156-F163 WeakPolarHBondContact O-CD1 3.43Å; V156-F163 WeakPolarHBondContact O-CE1 3.44Å; V156-F163 PolarHBondContact O-N 2.87Å; K158-F163 HydrophobicContact CB-CD1 3.81Å; K158-F163 HydrophobicContact CB-CE1 3.54Å; F163-L165 HydrophobicContact CE2-CD2 3.98Å; F163-L165 HydrophobicContact CE2-CG 4.43Å |
| 164 | C | 95.3 | Very high | 90.8 | Very high | 20 Ų | 20 | 75.5 Ų | 75.5 | 14% | 0.135 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 136.5 | -178.2 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | Y148 C150 L173 C175 | Y148-C164 WeakPolarHBondContact CE1-SG 3.33Å; C150-C164 WeakPolarHBondContact CA-SG 3.41Å; C150-C164 HydrophobicContact CB-CB 3.69Å; C150-C164 WeakPolarHBondContact CB-SG 3.05Å; C150-C164 WeakPolarHBondContact SG-CA 3.17Å; C150-C164 WeakPolarHBondContact SG-CB 3.44Å; C150-C164 CovalentContact SG-SG 2.03Å; C150-C164 PolarHBondContact SG-SG 3.39Å; C164-L173 PolarHBondContact SG-O 3.35Å; C164-L173 VanDerWaalsContact SG-O 3.41Å; C164-C175 VanDerWaalsContact CB-SG 3.54Å |
| 165 | L | 94.7 | Very high | 90.8 | Very high | 91 Ų | 91 | 67.5 Ų | 67.5 | 48% | 0.476 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 114.8 | 160.4 | -66.1 | 177.5 | 0 | 0 | 0 | 108.5 | G153 W154 V156 F163 | G153-L165 CarbonylContact C-O 3.52Å; G153-L165 WeakPolarHBondContact CA-O 3.44Å; W154-L165 PolarHBondContact N-O 2.03Å; W154-L165 PolarHBondContact O-N 3.14Å; V156-L165 HydrophobicContact CG1-CD1 3.89Å; V156-L165 HydrophobicContact CG1-CG 4.37Å; V156-L165 HydrophobicContact CG2-CD1 4.03Å; V156-L165 HydrophobicContact CG2-CD2 4.43Å; V156-L165 HydrophobicContact CG2-CG 3.71Å; F163-L165 HydrophobicContact CE2-CD2 3.98Å; F163-L165 HydrophobicContact CE2-CG 4.43Å |
| 166 | C | 93.7 | Very high | 90.7 | Very high | 45 Ų | 45 | 70.9 Ų | 70.9 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 142.4 | -177.9 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | Y170 C175 | C166-Y170 VanDerWaalsContact CB-O 3.29Å; C166-Y170 WeakPolarHBondContact CB-O 3.27Å; C166-C175 WeakPolarHBondContact CA-SG 3.27Å; C166-C175 HydrophobicContact CB-CB 3.68Å; C166-C175 WeakPolarHBondContact CB-SG 3.46Å; C166-C175 PolarHBondContact N-SG 3.03Å; C166-C175 VanDerWaalsContact N-SG 3.41Å; C166-C175 WeakPolarHBondContact SG-CA 3.19Å; C166-C175 WeakPolarHBondContact SG-CB 3.45Å; C166-C175 CovalentContact SG-SG 2.04Å; C166-C175 PolarHBondContact SG-SG 3.19Å |
| 167 | L | 90.8 | Very high | 90.5 | Very high | 54 Ų | 54 | 73.9 Ų | 73.9 | 28% | 0.283 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 152 | 167.1 | -72.4 | 171.9 | 0 | 0 | 0 | 109.8 | K152 W154 G169 Y170 | K152-L167 HydrophobicContact CB-CD1 4.19Å; K152-L167 HydrophobicContact CD-CD1 4.49Å; K152-L167 VanDerWaalsContact O-CB 3.27Å; K152-L167 WeakPolarHBondContact O-CB 3.21Å; K152-L167 VanDerWaalsContact O-CG 3.32Å; K152-L167 WeakPolarHBondContact O-CG 3.35Å; K152-L167 PolarHBondContact O-N 3.25Å; W154-L167 HydrophobicContact CE3-CD2 4.34Å; W154-L167 HydrophobicContact CH2-CD2 3.15Å; W154-L167 HydrophobicContact CH2-CG 4.37Å; W154-L167 HydrophobicContact CZ2-CD2 3.71Å; W154-L167 HydrophobicContact CZ3-CD2 3.51Å; W154-L167 HydrophobicContact CZ3-CG 4.46Å; L167-G169 PolarHBondContact O-N 3.44Å; L167-Y170 HydrophobicContact CB-CD2 4.05Å; L167-Y170 PolarHBondContact O-N 2.99Å |
| 168 | P | 85.7 | Confident | 90.3 | Very high | 103 Ų | 103 | 75.1 Ų | 75.1 | 67% | 0.669 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 130 | 173.9 | -26.7 | 34.7 | 0 | 0 | 0 | 111.4 | N200 | P168-N200 VanDerWaalsContact C-ND2 3.26Å; P168-N200 PolarHBondContact O-ND2 3.27Å |
| 169 | G | 84.9 | Confident | 90.2 | Very high | 12 Ų | 12 | 70.6 Ų | 70.6 | 12% | 0.124 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 0.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L167 A178 I179 N200 | L167-G169 PolarHBondContact O-N 3.44Å; G169-A178 CarbonylContact O-C 3.55Å; G169-A178 WeakPolarHBondContact O-CA 3.32Å; G169-I179 PolarHBondContact O-N 2.77Å; G169-N200 WeakPolarHBondContact CA-OD1 3.33Å |
| 170 | Y | 89.7 | Confident | 90.1 | Very high | 85 Ų | 85 | 71.3 Ų | 71.3 | 33% | 0.333 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 152.3 | 173.6 | -65.9 | -89.6 | 0 | 0 | 0 | 111.9 | K152 C166 L167 Q177 A178 | K152-Y170 HydrophobicContact CB-CD1 3.72Å; K152-Y170 HydrophobicContact CB-CD2 3.68Å; K152-Y170 HydrophobicContact CB-CE1 3.87Å; K152-Y170 HydrophobicContact CB-CE2 3.81Å; K152-Y170 HydrophobicContact CB-CG 3.63Å; K152-Y170 HydrophobicContact CD-CE2 4.3Å; K152-Y170 HydrophobicContact CG-CD1 4Å; K152-Y170 HydrophobicContact CG-CD2 4.35Å; K152-Y170 HydrophobicContact CG-CE1 3.63Å; K152-Y170 HydrophobicContact CG-CE2 3.99Å; K152-Y170 HydrophobicContact CG-CG 4.34Å; C166-Y170 VanDerWaalsContact CB-O 3.29Å; C166-Y170 WeakPolarHBondContact CB-O 3.27Å; L167-Y170 HydrophobicContact CB-CD2 4.05Å; L167-Y170 PolarHBondContact O-N 2.99Å; Y170-Q177 CarbonylContact C-O 3.3Å; Y170-Q177 VanDerWaalsContact CA-O 3.24Å; Y170-Q177 WeakPolarHBondContact CA-O 3.41Å; Y170-A178 HydrophobicContact CD1-CB 4.49Å; Y170-A178 HydrophobicContact CE1-CB 4.33Å |
| 171 | T | 89.8 | Confident | 89.9 | Confident | 66 Ų | 66 | 66.6 Ų | 66.6 | 41% | 0.405 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 177.2 | 179.6 | -168.2 | 0 | 0 | 0 | 0 | 110 | C175 E176 Q177 I179 | T171-C175 CarbonylContact O-C 3.13Å; T171-C175 WeakPolarHBondContact O-CA 3.38Å; T171-E176 PolarHBondContact O-N 2.89Å; T171-Q177 HydrophobicContact CG2-CB 3.85Å; T171-Q177 PolarHBondContact N-O 3.4Å; T171-Q177 WeakPolarHBondContact O-CB 3.06Å; T171-Q177 PolarHBondContact O-N 3.41Å; T171-I179 HydrophobicContact CG2-CG1 3.9Å |
| 172 | G | 91 | Very high | 89.9 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 101.9 | 170.5 | -174 | 0 | 0 | 0 | 0 | 0 | 112.6 | H174 C175 | G172-H174 VanDerWaalsContact C-N 3.3Å; G172-C175 PolarHBondContact O-N 3.36Å |
| 173 | L | 92.3 | Very high | 89.6 | Confident | 112 Ų | 112 | 68.4 Ų | 68.4 | 59% | 0.586 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -27.9 | -177.2 | -172.3 | 133.9 | 0 | 0 | 0 | 111.8 | Y148 C164 | Y148-L173 WeakPolarHBondContact OH-CD2 3.03Å; C164-L173 PolarHBondContact SG-O 3.35Å; C164-L173 VanDerWaalsContact SG-O 3.41Å |
| 174 | H | 94.3 | Very high | 89.2 | Confident | 74 Ų | 74 | 75.6 Ų | 75.6 | 34% | 0.343 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 16.3 | 176.9 | -64.5 | -77.4 | 0 | 0 | 0 | 112.2 | Y148 D149 C150 G151 G172 E176 | Y148-H174 AromaticContact CE2-CE1 3.78Å; Y148-H174 AromaticContact CZ-CE1 3.86Å; D149-H174 PolarHBondContact O-ND1 2.9Å; C150-H174 CarbonylContact C-O 3.5Å; C150-H174 VanDerWaalsContact O-O 3.08Å; G151-H174 PolarHBondContact N-O 3.29Å; G172-H174 VanDerWaalsContact C-N 3.3Å; H174-E176 VanDerWaalsContact CA-OE2 3.27Å; H174-E176 WeakPolarHBondContact CA-OE2 3.07Å; H174-E176 WeakPolarHBondContact CB-OE2 3.31Å; H174-E176 PolarHBondContact N-OE2 3.07Å; H174-E176 PolarHBondContact O-N 2.91Å |
| 175 | C | 94.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.007 | 42% | 0.417 | C | S | . | . | S | Bend | trans | 52.2 | 35.8 | -176.6 | -50.1 | 0 | 0 | 0 | 0 | 113.4 | C150 C164 C166 T171 G172 | C150-C175 WeakPolarHBondContact O-CB 3.03Å; C164-C175 VanDerWaalsContact CB-SG 3.54Å; C166-C175 WeakPolarHBondContact CA-SG 3.27Å; C166-C175 HydrophobicContact CB-CB 3.68Å; C166-C175 WeakPolarHBondContact CB-SG 3.46Å; C166-C175 PolarHBondContact N-SG 3.03Å; C166-C175 VanDerWaalsContact N-SG 3.41Å; C166-C175 WeakPolarHBondContact SG-CA 3.19Å; C166-C175 WeakPolarHBondContact SG-CB 3.45Å; C166-C175 CovalentContact SG-SG 2.04Å; C166-C175 PolarHBondContact SG-SG 3.19Å; T171-C175 CarbonylContact O-C 3.13Å; T171-C175 WeakPolarHBondContact O-CA 3.38Å; G172-C175 PolarHBondContact O-N 3.36Å |
| 176 | E | 93.5 | Very high | 88.5 | Confident | 106 Ų | 106 | 77.1 Ų | 77.1 | 50% | 0.495 | 41% | 0.405 | S | S | . | . | trans | -86.6 | -16.3 | -175.2 | 73.8 | -72.3 | 174.5 | 0 | 0 | 113 | T171 H174 | T171-E176 PolarHBondContact O-N 2.89Å; H174-E176 VanDerWaalsContact CA-OE2 3.27Å; H174-E176 WeakPolarHBondContact CA-OE2 3.07Å; H174-E176 WeakPolarHBondContact CB-OE2 3.31Å; H174-E176 PolarHBondContact N-OE2 3.07Å; H174-E176 PolarHBondContact O-N 2.91Å | ||
| 177 | Q | 89.9 | Confident | 88.4 | Confident | 108 Ų | 108 | 75.5 Ų | 75.5 | 51% | 0.505 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127 | -176.1 | -56.5 | -178.8 | 8.3 | 0 | 0 | 110.2 | Y170 T171 | Y170-Q177 CarbonylContact C-O 3.3Å; Y170-Q177 VanDerWaalsContact CA-O 3.24Å; Y170-Q177 WeakPolarHBondContact CA-O 3.41Å; T171-Q177 HydrophobicContact CG2-CB 3.85Å; T171-Q177 PolarHBondContact N-O 3.4Å; T171-Q177 WeakPolarHBondContact O-CB 3.06Å; T171-Q177 PolarHBondContact O-N 3.41Å |
| 178 | A | 85.2 | Confident | 88.5 | Confident | 72 Ų | 72 | 75.8 Ų | 75.8 | 60% | 0.595 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 134.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | G169 Y170 N180 | G169-A178 CarbonylContact O-C 3.55Å; G169-A178 WeakPolarHBondContact O-CA 3.32Å; Y170-A178 HydrophobicContact CD1-CB 4.49Å; Y170-A178 HydrophobicContact CE1-CB 4.33Å; A178-N180 PolarHBondContact O-N 2.96Å; A178-N180 VanDerWaalsContact O-N 3.15Å |
| 179 | I | 84.6 | Confident | 88.8 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | trans | -65.6 | 115.4 | 174.9 | -66.9 | 168.4 | 0 | 0 | 0 | 108 | G169 T171 K181 | G169-I179 PolarHBondContact O-N 2.77Å; T171-I179 HydrophobicContact CG2-CG1 3.9Å; I179-K181 HydrophobicContact CG2-CG 4.18Å; I179-K181 PolarHBondContact O-N 2.83Å | ||
| 180 | N | 82.5 | Confident | 89 | Confident | 82 Ų | 82 | 81.8 Ų | 81.8 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | trans | -73.1 | 100.2 | 169.1 | -177.4 | -0.5 | 0 | 0 | 0 | 109 | A178 C182 E183 V195 | A178-N180 PolarHBondContact O-N 2.96Å; A178-N180 VanDerWaalsContact O-N 3.15Å; N180-C182 PolarHBondContact O-N 2.89Å; N180-C182 WeakPolarHBondContact OD1-CA 3.31Å; N180-C182 WeakPolarHBondContact OD1-CB 3.07Å; N180-C182 PolarHBondContact OD1-N 3.47Å; N180-E183 HydrophobicContact CB-CB 4.24Å; N180-E183 VanDerWaalsContact O-CB 3.23Å; N180-E183 WeakPolarHBondContact O-CB 2.94Å; N180-E183 PolarHBondContact O-N 3.4Å; N180-V195 WeakPolarHBondContact OD1-CG2 3.24Å | ||
| 181 | K | 81.8 | Confident | 89.1 | Confident | 45 Ų | 45 | 78.2 Ų | 78.2 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.4 | -179.5 | -56.3 | -168.5 | -164.5 | 85.6 | 0 | 113.4 | I179 N200 F202 | I179-K181 HydrophobicContact CG2-CG 4.18Å; I179-K181 PolarHBondContact O-N 2.83Å; K181-N200 WeakPolarHBondContact CE-O 3.32Å; K181-N200 VanDerWaalsContact CE-OD1 3.29Å; K181-N200 WeakPolarHBondContact CE-OD1 3.5Å; K181-N200 PolarHBondContact NZ-O 2.97Å; K181-N200 PolarHBondContact NZ-OD1 3.42Å; K181-F202 HydrophobicContact CB-CB 3.85Å |
| 182 | C | 87.8 | Confident | 89.2 | Confident | 21 Ų | 21 | 80.2 Ų | 80.2 | 14% | 0.142 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -2.2 | 172.1 | -63.3 | 0 | 0 | 0 | 0 | 113.5 | N180 R184 D185 C193 V194 | N180-C182 PolarHBondContact O-N 2.89Å; N180-C182 WeakPolarHBondContact OD1-CA 3.31Å; N180-C182 WeakPolarHBondContact OD1-CB 3.07Å; N180-C182 PolarHBondContact OD1-N 3.47Å; C182-R184 VanDerWaalsContact C-N 3.25Å; C182-R184 PolarHBondContact O-N 3.25Å; C182-D185 PolarHBondContact O-N 2.04Å; C182-C193 WeakPolarHBondContact CA-SG 3.3Å; C182-C193 HydrophobicContact CB-CB 3.66Å; C182-C193 WeakPolarHBondContact CB-SG 3.37Å; C182-C193 WeakPolarHBondContact SG-CB 3.43Å; C182-C193 CovalentContact SG-SG 2.04Å; C182-C193 PolarHBondContact SG-SG 3.27Å; C182-V194 VanDerWaalsContact SG-C 3.56Å |
| 183 | E | 85.8 | Confident | 89.2 | Confident | 159 Ų | 159 | 79.9 Ų | 79.9 | 74% | 0.743 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -33.1 | -178.7 | -174.9 | 177 | -161.4 | 0 | 0 | 112.9 | N180 D185 | N180-E183 HydrophobicContact CB-CB 4.24Å; N180-E183 VanDerWaalsContact O-CB 3.23Å; N180-E183 WeakPolarHBondContact O-CB 2.94Å; N180-E183 PolarHBondContact O-N 3.4Å; E183-D185 VanDerWaalsContact C-N 3.3Å |
| 184 | R | 84.4 | Confident | 89.1 | Confident | 232 Ų | 232 | 77 Ų | 77 | 88% | 0.875 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 5.9 | 175.7 | -70.6 | -164.9 | -68.1 | -100.3 | 0.5 | 114.1 | C182 | C182-R184 VanDerWaalsContact C-N 3.25Å; C182-R184 PolarHBondContact O-N 3.25Å |
| 185 | D | 86.9 | Confident | 88.6 | Confident | 109 Ų | 109 | 76.5 Ų | 76.5 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | trans | 44.8 | 67.3 | -176.9 | -158.6 | 14.3 | 0 | 0 | 0 | 113.1 | C182 E183 C187 | C182-D185 PolarHBondContact O-N 2.04Å; E183-D185 VanDerWaalsContact C-N 3.3Å; D185-C187 PolarHBondContact O-N 3.48Å | ||
| 186 | P | 90 | Very high | 88 | Confident | 34 Ų | 34 | 78.4 Ų | 78.4 | 22% | 0.221 | 41% | 0.41 | C | S | . | . | trans | -70.2 | -11 | -173.5 | 30.4 | -36.2 | 0 | 0 | 0 | 113.8 | F202 D214 | P186-F202 HydrophobicContact CB-CD1 4.27Å; P186-F202 HydrophobicContact CB-CD2 3.97Å; P186-F202 HydrophobicContact CB-CE1 4.09Å; P186-F202 HydrophobicContact CB-CE2 3.77Å; P186-F202 HydrophobicContact CB-CG 4.22Å; P186-F202 HydrophobicContact CB-CZ 3.84Å; P186-F202 HydrophobicContact CG-CB 4.04Å; P186-F202 HydrophobicContact CG-CD1 3.97Å; P186-F202 HydrophobicContact CG-CD2 3.45Å; P186-F202 VanDerWaalsContact CG-CD2 3.45Å; P186-F202 HydrophobicContact CG-CE1 4.29Å; P186-F202 HydrophobicContact CG-CE2 3.8Å; P186-F202 HydrophobicContact CG-CG 3.54Å; P186-F202 HydrophobicContact CG-CZ 4.21Å; P186-D214 WeakPolarHBondContact O-CB 3.48Å | ||
| 187 | C | 91.9 | Very high | 87.2 | Confident | 10 Ų | 10 | 81.3 Ų | 81.3 | 7% | 0.068 | 42% | 0.424 | C | S | . | . | trans | -87.2 | 130.1 | -177.1 | -51.2 | 0 | 0 | 0 | 0 | 110.3 | D185 G191 C193 C204 | D185-C187 PolarHBondContact O-N 3.48Å; C187-G191 VanDerWaalsContact CB-O 3.31Å; C187-G191 WeakPolarHBondContact CB-O 3.5Å; C187-C193 WeakPolarHBondContact SG-CA 3.35Å; C187-C193 WeakPolarHBondContact SG-CB 2.99Å; C187-C204 WeakPolarHBondContact CA-SG 3.46Å; C187-C204 HydrophobicContact CB-CB 3.86Å; C187-C204 WeakPolarHBondContact CB-SG 3.4Å; C187-C204 VanDerWaalsContact SG-CA 3.5Å; C187-C204 WeakPolarHBondContact SG-CB 3.38Å; C187-C204 CovalentContact SG-SG 2.02Å; C187-C204 PolarHBondContact SG-SG 3.47Å | ||
| 188 | V | 92.4 | Very high | 86.4 | Confident | 61 Ų | 61 | 87.9 Ų | 87.9 | 37% | 0.37 | 44% | 0.444 | S | S | . | . | trans | -99.6 | 173.7 | 174.9 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | D190 G191 D214 | V188-D190 VanDerWaalsContact C-N 3.32Å; V188-D190 PolarHBondContact O-N 3.45Å; V188-G191 PolarHBondContact O-N 3.3Å; V188-G191 VanDerWaalsContact O-N 3.09Å; V188-D214 WeakPolarHBondContact CG2-O 3.44Å; V188-D214 PolarHBondContact N-O 3.42Å | ||
| 189 | N | 90.8 | Very high | 85.8 | Confident | 71 Ų | 71 | 90.6 Ų | 90.6 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 43.9 | 176.2 | -55.8 | -53.9 | 0 | 0 | 0 | 113.7 | G191 Y210 C215 | N189-G191 PolarHBondContact O-N 3.08Å; N189-Y210 HydrophobicContact CB-CD1 3.73Å; N189-Y210 HydrophobicContact CB-CD2 4.23Å; N189-Y210 HydrophobicContact CB-CE1 3.52Å; N189-Y210 HydrophobicContact CB-CE2 4.05Å; N189-Y210 HydrophobicContact CB-CG 4.07Å; N189-Y210 VanDerWaalsContact ND2-CD1 3.3Å; N189-Y210 WeakPolarHBondContact ND2-CD1 3.15Å; N189-Y210 WeakPolarHBondContact ND2-CE1 3.48Å; N189-C215 PolarHBondContact ND2-O 3.34Å |
| 190 | D | 89.7 | Confident | 85.2 | Confident | 170 Ų | 170 | 90.2 Ų | 90.2 | 91% | 0.909 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 25.5 | -178.6 | -54.5 | -45.6 | 0 | 0 | 0 | 114.4 | V188 | V188-D190 VanDerWaalsContact C-N 3.32Å; V188-D190 PolarHBondContact O-N 3.45Å |
| 191 | G | 91 | Very high | 85.1 | Confident | 9 Ų | 9 | 91.3 Ų | 91.3 | 9% | 0.093 | 45% | 0.447 | C | S | . | . | trans | -64.3 | 136.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | C187 V188 N189 C193 I205 | C187-G191 VanDerWaalsContact CB-O 3.31Å; C187-G191 WeakPolarHBondContact CB-O 3.5Å; V188-G191 PolarHBondContact O-N 3.3Å; V188-G191 VanDerWaalsContact O-N 3.09Å; N189-G191 PolarHBondContact O-N 3.08Å; G191-C193 PolarHBondContact O-N 2.76Å; G191-I205 WeakPolarHBondContact CA-O 3.23Å | ||
| 192 | L | 92.6 | Very high | 85.2 | Confident | 108 Ų | 108 | 92.5 Ų | 92.5 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 115.1 | 177.2 | 173.3 | 64.5 | 0 | 0 | 0 | 109.9 | V194 I205 | L192-V194 HydrophobicContact CG-CG1 4.36Å; L192-I205 HydrophobicContact CB-CB 4.28Å; L192-I205 HydrophobicContact CD2-CD1 4.25Å; L192-I205 PolarHBondContact N-O 2.92Å; L192-I205 PolarHBondContact O-N 2.85Å |
| 193 | C | 91.8 | Very high | 85.2 | Confident | 22 Ų | 22 | 96 Ų | 96 | 15% | 0.149 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 126.1 | 174.2 | -166.7 | 0 | 0 | 0 | 0 | 111.6 | C182 C187 G191 | C182-C193 WeakPolarHBondContact CA-SG 3.3Å; C182-C193 HydrophobicContact CB-CB 3.66Å; C182-C193 WeakPolarHBondContact CB-SG 3.37Å; C182-C193 WeakPolarHBondContact SG-CB 3.43Å; C182-C193 CovalentContact SG-SG 2.04Å; C182-C193 PolarHBondContact SG-SG 3.27Å; C187-C193 WeakPolarHBondContact SG-CA 3.35Å; C187-C193 WeakPolarHBondContact SG-CB 2.99Å; G191-C193 PolarHBondContact O-N 2.76Å |
| 194 | V | 90 | Very high | 85.5 | Confident | 51 Ų | 51 | 89.2 Ų | 89.2 | 31% | 0.309 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.5 | 168.2 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | C182 L192 N196 E203 I205 | C182-V194 VanDerWaalsContact SG-C 3.56Å; L192-V194 HydrophobicContact CG-CG1 4.36Å; V194-N196 PolarHBondContact O-N 2.66Å; V194-E203 HydrophobicContact CG2-CB 3.95Å; V194-E203 HydrophobicContact CG2-CG 4.21Å; V194-E203 WeakPolarHBondContact CG2-O 3.13Å; V194-E203 PolarHBondContact N-O 2.04Å; V194-E203 PolarHBondContact O-N 3.04Å; V194-I205 HydrophobicContact CG1-CD1 4.17Å; V194-I205 HydrophobicContact CG2-CD1 4.42Å; V194-I205 HydrophobicContact CG2-CG1 4.43Å |
| 195 | V | 84.4 | Confident | 85.8 | Confident | 64 Ų | 64 | 82.5 Ų | 82.5 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 118.5 | 175.7 | -180 | 0 | 0 | 0 | 0 | 108.6 | N180 E197 | N180-V195 WeakPolarHBondContact OD1-CG2 3.24Å; V195-E197 PolarHBondContact O-N 3.39Å |
| 196 | N | 80.4 | Confident | 85.9 | Confident | 41 Ų | 41 | 79.2 Ų | 79.2 | 22% | 0.219 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 100.3 | 171.8 | -171.2 | -43 | 0 | 0 | 0 | 109.3 | V194 W198 M199 N200 Q201 E203 | V194-N196 PolarHBondContact O-N 2.66Å; N196-W198 VanDerWaalsContact C-N 3.32Å; N196-W198 PolarHBondContact O-N 3.48Å; N196-W198 PolarHBondContact OD1-N 2.03Å; N196-W198 VanDerWaalsContact OD1-N 3.16Å; N196-M199 PolarHBondContact OD1-N 3.28Å; N196-N200 PolarHBondContact O-N 3.29Å; N196-Q201 PolarHBondContact N-O 2.82Å; N196-Q201 PolarHBondContact O-N 2.85Å; N196-E203 HydrophobicContact CB-CB 4.17Å; N196-E203 PolarHBondContact ND2-OE2 3.47Å |
| 197 | E | 76.6 | Confident | 85.7 | Confident | 168 Ų | 168 | 78.9 Ų | 78.9 | 79% | 0.785 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -33.5 | -179.1 | -63.9 | -165.3 | 159 | 0 | 0 | 112.6 | V195 N200 | V195-E197 PolarHBondContact O-N 3.39Å; E197-N200 PolarHBondContact O-N 3.32Å |
| 198 | W | 73.5 | Confident | 85.3 | Confident | 246 Ų | 246 | 83.8 Ų | 83.8 | 93% | 0.932 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -45.3 | -175.9 | -120.1 | -89.1 | 0 | 0 | 0 | 112.9 | N196 N200 | N196-W198 VanDerWaalsContact C-N 3.32Å; N196-W198 PolarHBondContact O-N 3.48Å; N196-W198 PolarHBondContact OD1-N 2.03Å; N196-W198 VanDerWaalsContact OD1-N 3.16Å; W198-N200 VanDerWaalsContact C-N 3.34Å |
| 199 | M | 74.2 | Confident | 84.7 | Confident | 129 Ų | 129 | 83.4 Ų | 83.4 | 64% | 0.635 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -3.8 | -178.8 | -67.7 | -66.1 | -74.2 | 0 | 0 | 112.5 | N196 Q201 | N196-M199 PolarHBondContact OD1-N 3.28Å; M199-Q201 VanDerWaalsContact C-N 3.26Å; M199-Q201 HydrophobicContact CB-CB 4.44Å; M199-Q201 PolarHBondContact O-N 2.91Å |
| 200 | N | 71.5 | Confident | 84.5 | Confident | 62 Ų | 62 | 83.5 Ų | 83.5 | 33% | 0.332 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 49.7 | -170.5 | -162.5 | 18.3 | 0 | 0 | 0 | 110.9 | P168 G169 K181 N196 E197 W198 | P168-N200 VanDerWaalsContact C-ND2 3.26Å; P168-N200 PolarHBondContact O-ND2 3.27Å; G169-N200 WeakPolarHBondContact CA-OD1 3.33Å; K181-N200 WeakPolarHBondContact CE-O 3.32Å; K181-N200 VanDerWaalsContact CE-OD1 3.29Å; K181-N200 WeakPolarHBondContact CE-OD1 3.5Å; K181-N200 PolarHBondContact NZ-O 2.97Å; K181-N200 PolarHBondContact NZ-OD1 3.42Å; N196-N200 PolarHBondContact O-N 3.29Å; E197-N200 PolarHBondContact O-N 3.32Å; W198-N200 VanDerWaalsContact C-N 3.34Å |
| 201 | Q | 79.9 | Confident | 84.3 | Confident | 105 Ų | 105 | 77 Ų | 77 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 169.2 | 178.8 | -77.1 | -177 | -2.5 | 0 | 0 | 111.8 | N196 M199 | N196-Q201 PolarHBondContact N-O 2.82Å; N196-Q201 PolarHBondContact O-N 2.85Å; M199-Q201 VanDerWaalsContact C-N 3.26Å; M199-Q201 HydrophobicContact CB-CB 4.44Å; M199-Q201 PolarHBondContact O-N 2.91Å |
| 202 | F | 83.5 | Confident | 84 | Confident | 70 Ų | 70 | 78.2 Ų | 78.2 | 31% | 0.307 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 152.5 | 164.3 | 67.4 | -90 | 0 | 0 | 0 | 108 | K181 P186 L213 | K181-F202 HydrophobicContact CB-CB 3.85Å; P186-F202 HydrophobicContact CB-CD1 4.27Å; P186-F202 HydrophobicContact CB-CD2 3.97Å; P186-F202 HydrophobicContact CB-CE1 4.09Å; P186-F202 HydrophobicContact CB-CE2 3.77Å; P186-F202 HydrophobicContact CB-CG 4.22Å; P186-F202 HydrophobicContact CB-CZ 3.84Å; P186-F202 HydrophobicContact CG-CB 4.04Å; P186-F202 HydrophobicContact CG-CD1 3.97Å; P186-F202 HydrophobicContact CG-CD2 3.45Å; P186-F202 VanDerWaalsContact CG-CD2 3.45Å; P186-F202 HydrophobicContact CG-CE1 4.29Å; P186-F202 HydrophobicContact CG-CE2 3.8Å; P186-F202 HydrophobicContact CG-CG 3.54Å; P186-F202 HydrophobicContact CG-CZ 4.21Å; F202-L213 WeakPolarHBondContact CE2-O 3.44Å |
| 203 | E | 88.8 | Confident | 83.8 | Confident | 95 Ų | 95 | 79.8 Ų | 79.8 | 44% | 0.444 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 126.3 | 172.9 | 175.2 | 174.9 | 176.4 | 0 | 0 | 108 | V194 N196 | V194-E203 HydrophobicContact CG2-CB 3.95Å; V194-E203 HydrophobicContact CG2-CG 4.21Å; V194-E203 WeakPolarHBondContact CG2-O 3.13Å; V194-E203 PolarHBondContact N-O 2.04Å; V194-E203 PolarHBondContact O-N 3.04Å; N196-E203 HydrophobicContact CB-CB 4.17Å; N196-E203 PolarHBondContact ND2-OE2 3.47Å |
| 204 | C | 91.4 | Very high | 83.7 | Confident | 17 Ų | 17 | 81.2 Ų | 81.2 | 12% | 0.115 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.2 | 178.6 | -65.7 | 0 | 0 | 0 | 0 | 109.9 | C187 C206 L213 C215 | C187-C204 WeakPolarHBondContact CA-SG 3.46Å; C187-C204 HydrophobicContact CB-CB 3.86Å; C187-C204 WeakPolarHBondContact CB-SG 3.4Å; C187-C204 VanDerWaalsContact SG-CA 3.5Å; C187-C204 WeakPolarHBondContact SG-CB 3.38Å; C187-C204 CovalentContact SG-SG 2.02Å; C187-C204 PolarHBondContact SG-SG 3.47Å; C204-C206 PolarHBondContact O-N 3.36Å; C204-L213 WeakPolarHBondContact CB-O 3.49Å; C204-L213 PolarHBondContact SG-O 3.43Å; C204-C215 VanDerWaalsContact CB-SG 3.51Å |
| 205 | I | 91.5 | Very high | 83.8 | Confident | 91 Ų | 91 | 78.8 Ų | 78.8 | 47% | 0.467 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 107 | 168.7 | -57.2 | 173.9 | 0 | 0 | 0 | 107.4 | G191 L192 V194 | G191-I205 WeakPolarHBondContact CA-O 3.23Å; L192-I205 HydrophobicContact CB-CB 4.28Å; L192-I205 HydrophobicContact CD2-CD1 4.25Å; L192-I205 PolarHBondContact N-O 2.92Å; L192-I205 PolarHBondContact O-N 2.85Å; V194-I205 HydrophobicContact CG1-CD1 4.17Å; V194-I205 HydrophobicContact CG2-CD1 4.42Å; V194-I205 HydrophobicContact CG2-CG1 4.43Å |
| 206 | C | 88.5 | Confident | 84 | Confident | 40 Ų | 40 | 78.7 Ų | 78.7 | 27% | 0.27 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 140.9 | -175.9 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | C204 Y210 C215 | C204-C206 PolarHBondContact O-N 3.36Å; C206-Y210 VanDerWaalsContact CB-O 3.27Å; C206-Y210 WeakPolarHBondContact CB-O 3.02Å; C206-C215 WeakPolarHBondContact CA-SG 3.15Å; C206-C215 HydrophobicContact CB-CB 3.79Å; C206-C215 WeakPolarHBondContact CB-SG 3.43Å; C206-C215 WeakPolarHBondContact SG-CA 3.2Å; C206-C215 WeakPolarHBondContact SG-CB 3.29Å; C206-C215 CovalentContact SG-SG 2.04Å; C206-C215 PolarHBondContact SG-SG 2.99Å |
| 207 | G | 86.1 | Confident | 84.2 | Confident | 27 Ų | 27 | 81 Ų | 81 | 28% | 0.278 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 171.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N209 Y210 | G207-N209 PolarHBondContact O-N 2.85Å; G207-Y210 PolarHBondContact O-N 2.96Å; G207-Y210 VanDerWaalsContact O-N 3.1Å |
| 208 | P | 82.1 | Confident | 84.4 | Confident | 113 Ų | 113 | 77.4 Ų | 77.4 | 73% | 0.734 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 137.8 | 178.9 | 22.6 | -32.2 | 0 | 0 | 0 | 111.4 | Y210 | P208-Y210 VanDerWaalsContact C-N 3.28Å; P208-Y210 WeakPolarHBondContact O-CD2 3.25Å; P208-Y210 PolarHBondContact O-N 3.37Å |
| 209 | N | 80.8 | Confident | 84.8 | Confident | 52 Ų | 52 | 69.6 Ų | 69.6 | 28% | 0.278 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 12 | -175.7 | -46.1 | -63.1 | 0 | 0 | 0 | 116 | G207 Y218 N219 N220 I235 | G207-N209 PolarHBondContact O-N 2.85Å; N209-Y218 HydrophobicContact CB-CD2 4.32Å; N209-Y218 HydrophobicContact CB-CE2 3.97Å; N209-Y218 CarbonylContact O-C 3.47Å; N209-Y218 WeakPolarHBondContact O-CA 3.46Å; N209-Y218 WeakPolarHBondContact O-CD2 3.06Å; N209-N219 WeakPolarHBondContact O-CA 3.38Å; N209-N219 PolarHBondContact O-N 2.95Å; N209-N220 HydrophobicContact CB-CB 4.4Å; N209-I235 WeakPolarHBondContact OD1-CD1 3.03Å |
| 210 | Y | 87 | Confident | 85.2 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 29% | 0.286 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 149.4 | 173.4 | -65.4 | -84.7 | 0 | 0 | 0 | 111.6 | N189 C206 G207 P208 C215 I217 Y218 | N189-Y210 HydrophobicContact CB-CD1 3.73Å; N189-Y210 HydrophobicContact CB-CD2 4.23Å; N189-Y210 HydrophobicContact CB-CE1 3.52Å; N189-Y210 HydrophobicContact CB-CE2 4.05Å; N189-Y210 HydrophobicContact CB-CG 4.07Å; N189-Y210 VanDerWaalsContact ND2-CD1 3.3Å; N189-Y210 WeakPolarHBondContact ND2-CD1 3.15Å; N189-Y210 WeakPolarHBondContact ND2-CE1 3.48Å; C206-Y210 VanDerWaalsContact CB-O 3.27Å; C206-Y210 WeakPolarHBondContact CB-O 3.02Å; G207-Y210 PolarHBondContact O-N 2.96Å; G207-Y210 VanDerWaalsContact O-N 3.1Å; P208-Y210 VanDerWaalsContact C-N 3.28Å; P208-Y210 WeakPolarHBondContact O-CD2 3.25Å; P208-Y210 PolarHBondContact O-N 3.37Å; Y210-C215 WeakPolarHBondContact CD1-O 3.06Å; Y210-I217 CarbonylContact C-O 3.54Å; Y210-I217 VanDerWaalsContact CA-O 3.24Å; Y210-I217 WeakPolarHBondContact CA-O 3.43Å; Y210-Y218 AromaticContact CD1-CD2 3.91Å; Y210-Y218 HydrophobicContact CD1-CD2 3.91Å; Y210-Y218 AromaticContact CE1-CD2 3.43Å; Y210-Y218 HydrophobicContact CE1-CD2 3.43Å; Y210-Y218 VanDerWaalsContact CE1-CD2 3.43Å; Y210-Y218 HydrophobicContact CE1-CE2 4.16Å; Y210-Y218 HydrophobicContact CE1-CG 4.29Å; Y210-Y218 HydrophobicContact CE2-CD2 4.19Å; Y210-Y218 HydrophobicContact CE2-CE2 4.23Å; Y210-Y218 HydrophobicContact CG-CD2 4.48Å; Y210-Y218 AromaticContact CZ-CD2 3.61Å; Y210-Y218 AromaticContact CZ-CE2 3.85Å |
| 211 | S | 84.8 | Confident | 85.7 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | -177 | 175.8 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | C215 S216 I217 N219 | S211-C215 CarbonylContact O-C 3.44Å; S211-C215 VanDerWaalsContact O-CA 3.25Å; S211-C215 WeakPolarHBondContact O-CA 3.16Å; S211-S216 PolarHBondContact O-N 3.14Å; S211-I217 PolarHBondContact N-O 2.96Å; S211-I217 WeakPolarHBondContact O-CA 3.06Å; S211-I217 VanDerWaalsContact O-CB 3.22Å; S211-I217 WeakPolarHBondContact O-CB 3.49Å; S211-I217 PolarHBondContact O-N 3.45Å; S211-I217 WeakPolarHBondContact OG-CB 3.31Å; S211-N219 WeakPolarHBondContact CB-ND2 3.23Å; S211-N219 VanDerWaalsContact OG-CG 3.28Å; S211-N219 PolarHBondContact OG-ND2 3.39Å; S211-N219 PolarHBondContact OG-OD1 3.39Å |
| 212 | G | 84.8 | Confident | 86 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 36% | 0.361 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 95.4 | 172.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D214 C215 | G212-D214 PolarHBondContact O-N 3.29Å; G212-C215 PolarHBondContact O-N 3.07Å |
| 213 | L | 87.2 | Confident | 86 | Confident | 141 Ų | 141 | 60.8 Ų | 60.8 | 74% | 0.738 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31 | -176.7 | -71.8 | 170.2 | 0 | 0 | 0 | 112.7 | F202 C204 | F202-L213 WeakPolarHBondContact CE2-O 3.44Å; C204-L213 WeakPolarHBondContact CB-O 3.49Å; C204-L213 PolarHBondContact SG-O 3.43Å |
| 214 | D | 90.4 | Very high | 85.8 | Confident | 52 Ų | 52 | 62 Ų | 62 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 7.4 | -177.8 | 64.7 | -13.6 | 0 | 0 | 0 | 113.4 | P186 V188 G212 S216 | P186-D214 WeakPolarHBondContact O-CB 3.48Å; V188-D214 WeakPolarHBondContact CG2-O 3.44Å; V188-D214 PolarHBondContact N-O 3.42Å; G212-D214 PolarHBondContact O-N 3.29Å; D214-S216 VanDerWaalsContact C-N 3.26Å; D214-S216 PolarHBondContact O-N 3.24Å; D214-S216 WeakPolarHBondContact OD1-CB 3.46Å; D214-S216 PolarHBondContact OD1-N 2.92Å; D214-S216 PolarHBondContact OD1-OG 3.03Å; D214-S216 PolarHBondContact OD2-OG 3.23Å |
| 215 | C | 91.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | S | Bend | trans | 64.5 | 20.6 | -173 | -50.7 | 0 | 0 | 0 | 0 | 115.5 | N189 C204 C206 Y210 S211 G212 I217 | N189-C215 PolarHBondContact ND2-O 3.34Å; C204-C215 VanDerWaalsContact CB-SG 3.51Å; C206-C215 WeakPolarHBondContact CA-SG 3.15Å; C206-C215 HydrophobicContact CB-CB 3.79Å; C206-C215 WeakPolarHBondContact CB-SG 3.43Å; C206-C215 WeakPolarHBondContact SG-CA 3.2Å; C206-C215 WeakPolarHBondContact SG-CB 3.29Å; C206-C215 CovalentContact SG-SG 2.04Å; C206-C215 PolarHBondContact SG-SG 2.99Å; Y210-C215 WeakPolarHBondContact CD1-O 3.06Å; S211-C215 CarbonylContact O-C 3.44Å; S211-C215 VanDerWaalsContact O-CA 3.25Å; S211-C215 WeakPolarHBondContact O-CA 3.16Å; G212-C215 PolarHBondContact O-N 3.07Å; C215-I217 VanDerWaalsContact C-N 3.35Å |
| 216 | S | 89.1 | Confident | 85.6 | Confident | 63 Ų | 63 | 61.1 Ų | 61.1 | 44% | 0.441 | 36% | 0.36 | S | S | . | . | trans | -73.6 | -21.7 | 177.1 | 59.8 | 0 | 0 | 0 | 0 | 114.3 | S211 D214 Y218 | S211-S216 PolarHBondContact O-N 3.14Å; D214-S216 VanDerWaalsContact C-N 3.26Å; D214-S216 PolarHBondContact O-N 3.24Å; D214-S216 WeakPolarHBondContact OD1-CB 3.46Å; D214-S216 PolarHBondContact OD1-N 2.92Å; D214-S216 PolarHBondContact OD1-OG 3.03Å; D214-S216 PolarHBondContact OD2-OG 3.23Å; S216-Y218 PolarHBondContact O-N 3.21Å | ||
| 217 | I | 84.3 | Confident | 85.8 | Confident | 88 Ų | 88 | 59.7 Ų | 59.7 | 45% | 0.451 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 114 | -176.5 | -51.9 | 176 | 0 | 0 | 0 | 109 | Y210 S211 C215 N219 | Y210-I217 CarbonylContact C-O 3.54Å; Y210-I217 VanDerWaalsContact CA-O 3.24Å; Y210-I217 WeakPolarHBondContact CA-O 3.43Å; S211-I217 PolarHBondContact N-O 2.96Å; S211-I217 WeakPolarHBondContact O-CA 3.06Å; S211-I217 VanDerWaalsContact O-CB 3.22Å; S211-I217 WeakPolarHBondContact O-CB 3.49Å; S211-I217 PolarHBondContact O-N 3.45Å; S211-I217 WeakPolarHBondContact OG-CB 3.31Å; C215-I217 VanDerWaalsContact C-N 3.35Å; I217-N219 WeakPolarHBondContact CG2-OD1 3.38Å; I217-N219 PolarHBondContact O-N 3.04Å |
| 218 | Y | 82.2 | Confident | 86.1 | Confident | 94 Ų | 94 | 63.9 Ų | 63.9 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 102.1 | 175.3 | -171.8 | -119.9 | 0 | 0 | 0 | 111.3 | N209 Y210 S216 N220 I223 | N209-Y218 HydrophobicContact CB-CD2 4.32Å; N209-Y218 HydrophobicContact CB-CE2 3.97Å; N209-Y218 CarbonylContact O-C 3.47Å; N209-Y218 WeakPolarHBondContact O-CA 3.46Å; N209-Y218 WeakPolarHBondContact O-CD2 3.06Å; Y210-Y218 AromaticContact CD1-CD2 3.91Å; Y210-Y218 HydrophobicContact CD1-CD2 3.91Å; Y210-Y218 AromaticContact CE1-CD2 3.43Å; Y210-Y218 HydrophobicContact CE1-CD2 3.43Å; Y210-Y218 VanDerWaalsContact CE1-CD2 3.43Å; Y210-Y218 HydrophobicContact CE1-CE2 4.16Å; Y210-Y218 HydrophobicContact CE1-CG 4.29Å; Y210-Y218 HydrophobicContact CE2-CD2 4.19Å; Y210-Y218 HydrophobicContact CE2-CE2 4.23Å; Y210-Y218 HydrophobicContact CG-CD2 4.48Å; Y210-Y218 AromaticContact CZ-CD2 3.61Å; Y210-Y218 AromaticContact CZ-CE2 3.85Å; S216-Y218 PolarHBondContact O-N 3.21Å; Y218-N220 HydrophobicContact CD1-CB 3.73Å; Y218-N220 HydrophobicContact CE1-CB 3.14Å; Y218-N220 HydrophobicContact CE2-CB 4.01Å; Y218-N220 HydrophobicContact CG-CB 4.4Å; Y218-N220 PolarHBondContact O-N 3.36Å; Y218-N220 PolarHBondContact OH-ND2 2.92Å; Y218-I223 HydrophobicContact CD1-CB 4.35Å; Y218-I223 HydrophobicContact CD1-CG2 4.39Å; Y218-I223 HydrophobicContact CE1-CB 3.85Å; Y218-I223 HydrophobicContact CE1-CD1 3.62Å; Y218-I223 HydrophobicContact CE1-CG1 4.14Å; Y218-I223 HydrophobicContact CE1-CG2 4.13Å |
| 219 | N | 81.9 | Confident | 86.6 | Confident | 82 Ų | 82 | 61.7 Ų | 61.7 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | trans | -86.3 | 47.2 | 175.4 | -67.8 | -9.4 | 0 | 0 | 0 | 111.9 | N209 S211 I217 P221 | N209-N219 WeakPolarHBondContact O-CA 3.38Å; N209-N219 PolarHBondContact O-N 2.95Å; S211-N219 WeakPolarHBondContact CB-ND2 3.23Å; S211-N219 VanDerWaalsContact OG-CG 3.28Å; S211-N219 PolarHBondContact OG-ND2 3.39Å; S211-N219 PolarHBondContact OG-OD1 3.39Å; I217-N219 WeakPolarHBondContact CG2-OD1 3.38Å; I217-N219 PolarHBondContact O-N 3.04Å; N219-P221 WeakPolarHBondContact O-CD 3.46Å | ||
| 220 | N | 81.1 | Confident | 87 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 11% | 0.107 | 36% | 0.364 | C | S | . | . | trans | -89.4 | 106.4 | 166 | -172.8 | -14.3 | 0 | 0 | 0 | 108.7 | N209 Y218 C222 I223 | N209-N220 HydrophobicContact CB-CB 4.4Å; Y218-N220 HydrophobicContact CD1-CB 3.73Å; Y218-N220 HydrophobicContact CE1-CB 3.14Å; Y218-N220 HydrophobicContact CE2-CB 4.01Å; Y218-N220 HydrophobicContact CG-CB 4.4Å; Y218-N220 PolarHBondContact O-N 3.36Å; Y218-N220 PolarHBondContact OH-ND2 2.92Å; N220-C222 PolarHBondContact O-N 3.33Å; N220-C222 WeakPolarHBondContact OD1-CA 3.25Å; N220-C222 WeakPolarHBondContact OD1-CB 3.02Å; N220-C222 PolarHBondContact OD1-N 3Å; N220-I223 HydrophobicContact CB-CB 4.24Å; N220-I223 HydrophobicContact CB-CG1 4.4Å; N220-I223 PolarHBondContact O-N 3.08Å | ||
| 221 | P | 82.4 | Confident | 87.3 | Confident | 45 Ų | 45 | 62.5 Ų | 62.5 | 29% | 0.292 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -13.1 | 177.7 | 24.9 | -33.6 | 0 | 0 | 0 | 113.3 | N219 P226 I235 G242 Y243 | N219-P221 WeakPolarHBondContact O-CD 3.46Å; P221-P226 WeakPolarHBondContact O-CD 3.47Å; P221-P226 WeakPolarHBondContact O-CG 3.16Å; P221-I235 HydrophobicContact CG-CG1 4.39Å; P221-G242 VanDerWaalsContact CG-O 3.25Å; P221-G242 WeakPolarHBondContact CG-O 3.42Å; P221-Y243 HydrophobicContact CB-CD1 3.7Å; P221-Y243 HydrophobicContact CB-CG 4.26Å; P221-Y243 HydrophobicContact CG-CD1 4.46Å |
| 222 | C | 87.3 | Confident | 87.7 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 10% | 0.101 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 2 | 172 | -62.5 | 0 | 0 | 0 | 0 | 114.2 | N220 P224 S225 C233 | N220-C222 PolarHBondContact O-N 3.33Å; N220-C222 WeakPolarHBondContact OD1-CA 3.25Å; N220-C222 WeakPolarHBondContact OD1-CB 3.02Å; N220-C222 PolarHBondContact OD1-N 3Å; C222-P224 CarbonylContact C-O 3.39Å; C222-P224 CarbonylContact O-C 3.43Å; C222-P224 VanDerWaalsContact O-C 3.3Å; C222-S225 WeakPolarHBondContact O-CA 3.06Å; C222-S225 PolarHBondContact O-N 2.87Å; C222-C233 WeakPolarHBondContact CA-SG 3.35Å; C222-C233 HydrophobicContact CB-CB 3.5Å; C222-C233 VanDerWaalsContact CB-CB 3.5Å; C222-C233 WeakPolarHBondContact CB-SG 3.33Å; C222-C233 WeakPolarHBondContact SG-CB 3.31Å; C222-C233 CovalentContact SG-SG 2.03Å; C222-C233 PolarHBondContact SG-SG 3.41Å |
| 223 | I | 82.5 | Confident | 88.1 | Confident | 101 Ų | 101 | 64.5 Ų | 64.5 | 52% | 0.518 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -131.6 | 109.5 | -179.4 | -63.5 | -177.4 | 0 | 0 | 0 | 110.2 | Y218 N220 | Y218-I223 HydrophobicContact CD1-CB 4.35Å; Y218-I223 HydrophobicContact CD1-CG2 4.39Å; Y218-I223 HydrophobicContact CE1-CB 3.85Å; Y218-I223 HydrophobicContact CE1-CD1 3.62Å; Y218-I223 HydrophobicContact CE1-CG1 4.14Å; Y218-I223 HydrophobicContact CE1-CG2 4.13Å; N220-I223 HydrophobicContact CB-CB 4.24Å; N220-I223 HydrophobicContact CB-CG1 4.4Å; N220-I223 PolarHBondContact O-N 3.08Å |
| 224 | P | 85.1 | Confident | 88.2 | Confident | 121 Ų | 121 | 60.8 Ų | 60.8 | 79% | 0.786 | 35% | 0.345 | S | S | * | . | S | Bend | cis | -66.7 | 151 | -6.1 | 30 | -34.4 | 0 | 0 | 0 | 111.6 | C222 P226 | C222-P224 CarbonylContact C-O 3.39Å; C222-P224 CarbonylContact O-C 3.43Å; C222-P224 VanDerWaalsContact O-C 3.3Å; P224-P226 WeakPolarHBondContact O-CD 3.26Å |
| 225 | S | 88.9 | Confident | 87.9 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 43% | 0.427 | 35% | 0.349 | S | S | . | . | trans | -60.4 | 122.5 | -176.7 | -178 | 0 | 0 | 0 | 0 | 111 | C222 C227 | C222-S225 WeakPolarHBondContact O-CA 3.06Å; C222-S225 PolarHBondContact O-N 2.87Å; S225-C227 PolarHBondContact O-N 3.25Å; S225-C227 PolarHBondContact OG-N 3.42Å | ||
| 226 | P | 89.1 | Confident | 87.6 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | trans | -73.3 | -21 | 173.4 | 29.6 | -32.9 | 0 | 0 | 0 | 111.1 | P221 P224 Y243 | P221-P226 WeakPolarHBondContact O-CD 3.47Å; P221-P226 WeakPolarHBondContact O-CG 3.16Å; P224-P226 WeakPolarHBondContact O-CD 3.26Å; P226-Y243 HydrophobicContact CB-CD2 4.5Å; P226-Y243 HydrophobicContact CB-CE1 4.22Å; P226-Y243 HydrophobicContact CB-CE2 3.76Å; P226-Y243 HydrophobicContact CG-CD1 4.1Å; P226-Y243 HydrophobicContact CG-CD2 3.5Å; P226-Y243 VanDerWaalsContact CG-CD2 3.5Å; P226-Y243 HydrophobicContact CG-CE1 3.82Å; P226-Y243 HydrophobicContact CG-CE2 3.23Å; P226-Y243 HydrophobicContact CG-CG 3.94Å | ||
| 227 | C | 93.2 | Very high | 87.3 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 7% | 0.068 | 38% | 0.382 | C | S | . | . | trans | -72.6 | 128.1 | -177.2 | -46.7 | 0 | 0 | 0 | 0 | 111.2 | S225 A231 C233 C245 | S225-C227 PolarHBondContact O-N 3.25Å; S225-C227 PolarHBondContact OG-N 3.42Å; C227-A231 HydrophobicContact CB-CB 3.79Å; C227-C233 WeakPolarHBondContact SG-CB 2.95Å; C227-C245 WeakPolarHBondContact CA-SG 3.31Å; C227-C245 HydrophobicContact CB-CB 3.72Å; C227-C245 WeakPolarHBondContact CB-SG 3.32Å; C227-C245 VanDerWaalsContact SG-CA 3.51Å; C227-C245 WeakPolarHBondContact SG-CB 3.34Å; C227-C245 CovalentContact SG-SG 2.02Å; C227-C245 PolarHBondContact SG-SG 2.7Å | ||
| 228 | K | 93.3 | Very high | 87.3 | Confident | 114 Ų | 114 | 71.7 Ų | 71.7 | 50% | 0.496 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -86.3 | 168.1 | 178.1 | -59.5 | -58.5 | -179 | -173.8 | 0 | 111.4 | D230 A231 I255 E257 | K228-D230 VanDerWaalsContact C-N 3.28Å; K228-D230 PolarHBondContact O-N 2.77Å; K228-A231 WeakPolarHBondContact O-CB 3.14Å; K228-A231 PolarHBondContact O-N 3.24Å; K228-A231 VanDerWaalsContact O-N 3.1Å; K228-I255 HydrophobicContact CG-CD1 4.09Å; K228-I255 HydrophobicContact CG-CG1 4.38Å; K228-I255 PolarHBondContact N-O 2.97Å; K228-E257 HydrophobicContact CB-CB 4.48Å; K228-E257 HydrophobicContact CG-CB 4.28Å |
| 229 | N | 91.9 | Very high | 87.4 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 36% | 0.358 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 39.3 | 173.7 | -56.8 | -50.6 | 0 | 0 | 0 | 113.8 | A231 F251 C256 | N229-A231 PolarHBondContact O-N 2.85Å; N229-A231 VanDerWaalsContact O-N 3.15Å; N229-F251 HydrophobicContact CB-CD1 3.63Å; N229-F251 HydrophobicContact CB-CD2 4.3Å; N229-F251 HydrophobicContact CB-CE1 3.49Å; N229-F251 VanDerWaalsContact CB-CE1 3.49Å; N229-F251 HydrophobicContact CB-CE2 4.19Å; N229-F251 HydrophobicContact CB-CG 4.02Å; N229-F251 HydrophobicContact CB-CZ 3.78Å; N229-F251 VanDerWaalsContact CG-CD1 3.48Å; N229-F251 WeakPolarHBondContact ND2-CD1 3.26Å; N229-F251 VanDerWaalsContact ND2-CE1 3.34Å; N229-F251 WeakPolarHBondContact ND2-CE1 3.41Å; N229-C256 PolarHBondContact ND2-O 2.85Å |
| 230 | D | 90.3 | Very high | 87.3 | Confident | 134 Ų | 134 | 70.2 Ų | 70.2 | 72% | 0.717 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 30 | -177.4 | -59.2 | -32.5 | 0 | 0 | 0 | 113.8 | K228 K248 | K228-D230 VanDerWaalsContact C-N 3.28Å; K228-D230 PolarHBondContact O-N 2.77Å; D230-K248 VanDerWaalsContact CB-NZ 3.28Å; D230-K248 VanDerWaalsContact O-CE 3.28Å; D230-K248 WeakPolarHBondContact O-CE 3.41Å; D230-K248 IonicContact OD2-NZ 3.97Å |
| 231 | A | 92.8 | Very high | 87.3 | Confident | 8 Ų | 8 | 77.5 Ų | 77.5 | 7% | 0.066 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 145.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | C227 K228 N229 C233 L246 C256 | C227-A231 HydrophobicContact CB-CB 3.79Å; K228-A231 WeakPolarHBondContact O-CB 3.14Å; K228-A231 PolarHBondContact O-N 3.24Å; K228-A231 VanDerWaalsContact O-N 3.1Å; N229-A231 PolarHBondContact O-N 2.85Å; N229-A231 VanDerWaalsContact O-N 3.15Å; A231-C233 PolarHBondContact O-N 3.48Å; A231-L246 WeakPolarHBondContact CB-O 3.3Å; A231-C256 HydrophobicContact CB-CB 3.68Å; A231-C256 VanDerWaalsContact CB-SG 3.56Å |
| 232 | S | 93.4 | Very high | 87.3 | Confident | 77 Ų | 77 | 76.3 Ų | 76.3 | 54% | 0.538 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 124 | 179.7 | -59.3 | 0 | 0 | 0 | 0 | 109.8 | L246 | S232-L246 PolarHBondContact N-O 3.03Å; S232-L246 PolarHBondContact O-N 3.1Å |
| 233 | C | 92 | Very high | 87.3 | Confident | 33 Ų | 33 | 77.7 Ų | 77.7 | 22% | 0.223 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.1 | 174.7 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | C222 C227 A231 | C222-C233 WeakPolarHBondContact CA-SG 3.35Å; C222-C233 HydrophobicContact CB-CB 3.5Å; C222-C233 VanDerWaalsContact CB-CB 3.5Å; C222-C233 WeakPolarHBondContact CB-SG 3.33Å; C222-C233 WeakPolarHBondContact SG-CB 3.31Å; C222-C233 CovalentContact SG-SG 2.03Å; C222-C233 PolarHBondContact SG-SG 3.41Å; C227-C233 WeakPolarHBondContact SG-CB 2.95Å; A231-C233 PolarHBondContact O-N 3.48Å |
| 234 | T | 90.3 | Very high | 87.8 | Confident | 63 Ų | 63 | 75.3 Ų | 75.3 | 39% | 0.387 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133.2 | 172.4 | 56.3 | 0 | 0 | 0 | 0 | 109.4 | N236 Y243 T244 L246 | T234-N236 PolarHBondContact O-N 2.9Å; T234-Y243 CarbonylContact O-C 3.55Å; T234-Y243 WeakPolarHBondContact O-CA 3.43Å; T234-T244 PolarHBondContact N-O 3.27Å; T234-T244 PolarHBondContact O-N 3.23Å; T234-T244 PolarHBondContact OG1-O 3.07Å; T234-L246 HydrophobicContact CG2-CD1 4.17Å |
| 235 | I | 83.9 | Confident | 88.2 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 37% | 0.369 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 129.8 | 170.9 | -63 | 155.8 | 0 | 0 | 0 | 108 | N209 P221 | N209-I235 WeakPolarHBondContact OD1-CD1 3.03Å; P221-I235 HydrophobicContact CG-CG1 4.39Å |
| 236 | N | 85.7 | Confident | 88.5 | Confident | 52 Ų | 52 | 72.2 Ų | 72.2 | 28% | 0.278 | 39% | 0.394 | S | S | . | . | trans | -141.5 | 100.7 | 178.7 | -177.3 | -0.3 | 0 | 0 | 0 | 109 | T234 T238 S239 G242 T244 | T234-N236 PolarHBondContact O-N 2.9Å; N236-T238 PolarHBondContact ND2-OG1 3.15Å; N236-T238 PolarHBondContact O-N 2.93Å; N236-T238 PolarHBondContact OD1-N 3.3Å; N236-T238 VanDerWaalsContact OD1-N 3.08Å; N236-T238 PolarHBondContact OD1-OG1 3.46Å; N236-S239 VanDerWaalsContact O-CB 3.27Å; N236-S239 WeakPolarHBondContact O-CB 3.41Å; N236-S239 PolarHBondContact O-N 2.9Å; N236-G242 CarbonylContact C-O 3.49Å; N236-G242 PolarHBondContact N-O 3.38Å; N236-G242 CarbonylContact O-C 3.6Å; N236-G242 VanDerWaalsContact O-CA 3.32Å; N236-G242 WeakPolarHBondContact O-CA 3.5Å; N236-T244 VanDerWaalsContact CB-OG1 3.31Å; N236-T244 WeakPolarHBondContact CB-OG1 3.45Å; N236-T244 PolarHBondContact ND2-OG1 3.09Å | ||
| 237 | E | 82.2 | Confident | 88.6 | Confident | 183 Ų | 183 | 73.2 Ų | 73.2 | 86% | 0.855 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.2 | -178.4 | -61.1 | -177.8 | 174.6 | 0 | 0 | 113.4 | S239 | E237-S239 VanDerWaalsContact C-N 3.3Š|
| 238 | T | 84.2 | Confident | 88.6 | Confident | 126 Ų | 126 | 77.4 Ų | 77.4 | 77% | 0.773 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -16 | 173.8 | 67.2 | 0 | 0 | 0 | 0 | 112.9 | N236 | N236-T238 PolarHBondContact ND2-OG1 3.15Å; N236-T238 PolarHBondContact O-N 2.93Å; N236-T238 PolarHBondContact OD1-N 3.3Å; N236-T238 VanDerWaalsContact OD1-N 3.08Å; N236-T238 PolarHBondContact OD1-OG1 3.46Å |
| 239 | S | 84.1 | Confident | 88.4 | Confident | 23 Ų | 23 | 78.2 Ų | 78.2 | 16% | 0.161 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -77.8 | 136.2 | 174 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | N236 E237 Y241 G242 Y243 | N236-S239 VanDerWaalsContact O-CB 3.27Å; N236-S239 WeakPolarHBondContact O-CB 3.41Å; N236-S239 PolarHBondContact O-N 2.9Å; E237-S239 VanDerWaalsContact C-N 3.3Å; S239-Y241 PolarHBondContact O-N 3Å; S239-Y241 PolarHBondContact OG-N 3.2Å; S239-G242 PolarHBondContact O-N 3.44Å; S239-Y243 WeakPolarHBondContact CB-O 3.27Å; S239-Y243 PolarHBondContact OG-O 2.76Å |
| 240 | P | 79.5 | Confident | 88.3 | Confident | 122 Ų | 122 | 76.7 Ų | 76.7 | 79% | 0.792 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -14 | 175.3 | 23.5 | -32.1 | 0 | 0 | 0 | 113.4 | ||
| 241 | Y | 81.2 | Confident | 88.4 | Confident | 172 Ų | 172 | 72.8 Ų | 72.8 | 68% | 0.675 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -4.6 | 176.1 | -50.6 | -71.9 | 0 | 0 | 0 | 113.6 | S239 Y243 | S239-Y241 PolarHBondContact O-N 3Å; S239-Y241 PolarHBondContact OG-N 3.2Å; Y241-Y243 VanDerWaalsContact C-N 3.28Å; Y241-Y243 VanDerWaalsContact CB-CE1 3.44Å; Y241-Y243 HydrophobicContact CG-CE1 4.39Å; Y241-Y243 WeakPolarHBondContact O-CD1 3.49Å; Y241-Y243 PolarHBondContact O-N 3.04Å |
| 242 | G | 82.8 | Confident | 88.1 | Confident | 21 Ų | 21 | 75.5 Ų | 75.5 | 22% | 0.216 | 42% | 0.421 | C | S | . | . | S | Bend | trans | 78 | 2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P221 N236 S239 | P221-G242 VanDerWaalsContact CG-O 3.25Å; P221-G242 WeakPolarHBondContact CG-O 3.42Å; N236-G242 CarbonylContact C-O 3.49Å; N236-G242 PolarHBondContact N-O 3.38Å; N236-G242 CarbonylContact O-C 3.6Å; N236-G242 VanDerWaalsContact O-CA 3.32Å; N236-G242 WeakPolarHBondContact O-CA 3.5Å; S239-G242 PolarHBondContact O-N 3.44Å |
| 243 | Y | 87.4 | Confident | 87.8 | Confident | 44 Ų | 44 | 72.9 Ų | 72.9 | 17% | 0.173 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 166.7 | 179.5 | 69 | -87 | 0 | 0 | 0 | 113 | P221 P226 T234 S239 Y241 I255 | P221-Y243 HydrophobicContact CB-CD1 3.7Å; P221-Y243 HydrophobicContact CB-CG 4.26Å; P221-Y243 HydrophobicContact CG-CD1 4.46Å; P226-Y243 HydrophobicContact CB-CD2 4.5Å; P226-Y243 HydrophobicContact CB-CE1 4.22Å; P226-Y243 HydrophobicContact CB-CE2 3.76Å; P226-Y243 HydrophobicContact CG-CD1 4.1Å; P226-Y243 HydrophobicContact CG-CD2 3.5Å; P226-Y243 VanDerWaalsContact CG-CD2 3.5Å; P226-Y243 HydrophobicContact CG-CE1 3.82Å; P226-Y243 HydrophobicContact CG-CE2 3.23Å; P226-Y243 HydrophobicContact CG-CG 3.94Å; T234-Y243 CarbonylContact O-C 3.55Å; T234-Y243 WeakPolarHBondContact O-CA 3.43Å; S239-Y243 WeakPolarHBondContact CB-O 3.27Å; S239-Y243 PolarHBondContact OG-O 2.76Å; Y241-Y243 VanDerWaalsContact C-N 3.28Å; Y241-Y243 VanDerWaalsContact CB-CE1 3.44Å; Y241-Y243 HydrophobicContact CG-CE1 4.39Å; Y241-Y243 WeakPolarHBondContact O-CD1 3.49Å; Y241-Y243 PolarHBondContact O-N 3.04Å; Y243-I255 HydrophobicContact CE2-CG2 4.12Å |
| 244 | T | 91.8 | Very high | 87.6 | Confident | 51 Ų | 51 | 74.3 Ų | 74.3 | 31% | 0.313 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 140.7 | 170.1 | -58.5 | 0 | 0 | 0 | 0 | 109.5 | T234 N236 | T234-T244 PolarHBondContact N-O 3.27Å; T234-T244 PolarHBondContact O-N 3.23Å; T234-T244 PolarHBondContact OG1-O 3.07Å; N236-T244 VanDerWaalsContact CB-OG1 3.31Å; N236-T244 WeakPolarHBondContact CB-OG1 3.45Å; N236-T244 PolarHBondContact ND2-OG1 3.09Å |
| 245 | C | 94.2 | Very high | 87.6 | Confident | 13 Ų | 13 | 73.5 Ų | 73.5 | 9% | 0.088 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.5 | 177.6 | -62.7 | 0 | 0 | 0 | 0 | 111 | C227 | C227-C245 WeakPolarHBondContact CA-SG 3.31Å; C227-C245 HydrophobicContact CB-CB 3.72Å; C227-C245 WeakPolarHBondContact CB-SG 3.32Å; C227-C245 VanDerWaalsContact SG-CA 3.51Å; C227-C245 WeakPolarHBondContact SG-CB 3.34Å; C227-C245 CovalentContact SG-SG 2.02Å; C227-C245 PolarHBondContact SG-SG 2.7Å |
| 246 | L | 94.1 | Very high | 88 | Confident | 103 Ų | 103 | 70.1 Ų | 70.1 | 54% | 0.539 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 107.4 | 172.6 | -64.5 | 171.8 | 0 | 0 | 0 | 109.3 | A231 S232 T234 | A231-L246 WeakPolarHBondContact CB-O 3.3Å; S232-L246 PolarHBondContact N-O 3.03Å; S232-L246 PolarHBondContact O-N 3.1Å; T234-L246 HydrophobicContact CG2-CD1 4.17Å |
| 247 | C | 92.4 | Very high | 88.3 | Confident | 49 Ų | 49 | 71.3 Ų | 71.3 | 33% | 0.331 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 137.7 | -175.9 | -51.4 | 0 | 0 | 0 | 0 | 112 | F251 C256 | C247-F251 HydrophobicContact CB-CB 4.16Å; C247-F251 VanDerWaalsContact CB-O 3.27Å; C247-F251 WeakPolarHBondContact CB-O 3.03Å; C247-C256 WeakPolarHBondContact CA-SG 3.31Å; C247-C256 HydrophobicContact CB-CB 3.72Å; C247-C256 WeakPolarHBondContact CB-SG 3.32Å; C247-C256 PolarHBondContact N-SG 2.86Å; C247-C256 WeakPolarHBondContact SG-CA 3.34Å; C247-C256 WeakPolarHBondContact SG-CB 3.49Å; C247-C256 CovalentContact SG-SG 2.04Å; C247-C256 PolarHBondContact SG-SG 2.89Å |
| 248 | K | 92.3 | Very high | 88.5 | Confident | 98 Ų | 98 | 63.1 Ų | 63.1 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 154.7 | 166.9 | -72.7 | -178.9 | -178.9 | 173.7 | 0 | 110 | D230 G250 F251 | D230-K248 VanDerWaalsContact CB-NZ 3.28Å; D230-K248 VanDerWaalsContact O-CE 3.28Å; D230-K248 WeakPolarHBondContact O-CE 3.41Å; D230-K248 IonicContact OD2-NZ 3.97Å; K248-G250 PolarHBondContact O-N 2.81Å; K248-F251 HydrophobicContact CB-CD2 3.99Å; K248-F251 PolarHBondContact O-N 3.41Å |
| 249 | P | 90.1 | Very high | 88.6 | Confident | 132 Ų | 132 | 63 Ų | 63 | 86% | 0.857 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 131.2 | 175.1 | -26.2 | 34.3 | 0 | 0 | 0 | 111.7 | ||
| 250 | G | 89.2 | Confident | 88.3 | Confident | 35 Ų | 35 | 67.7 Ų | 67.7 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K248 Y252 I259 | K248-G250 PolarHBondContact O-N 2.81Å; G250-Y252 WeakPolarHBondContact O-CE2 3.49Å; G250-I259 CarbonylContact O-C 3.06Å; G250-I259 WeakPolarHBondContact O-CA 3.48Å |
| 251 | F | 91.8 | Very high | 87.9 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 23% | 0.228 | 38% | 0.376 | C | S | . | . | trans | -109.3 | 149 | 174.7 | -62.3 | -84.7 | 0 | 0 | 0 | 112.3 | N229 C247 K248 C256 A258 I259 | N229-F251 HydrophobicContact CB-CD1 3.63Å; N229-F251 HydrophobicContact CB-CD2 4.3Å; N229-F251 HydrophobicContact CB-CE1 3.49Å; N229-F251 VanDerWaalsContact CB-CE1 3.49Å; N229-F251 HydrophobicContact CB-CE2 4.19Å; N229-F251 HydrophobicContact CB-CG 4.02Å; N229-F251 HydrophobicContact CB-CZ 3.78Å; N229-F251 VanDerWaalsContact CG-CD1 3.48Å; N229-F251 WeakPolarHBondContact ND2-CD1 3.26Å; N229-F251 VanDerWaalsContact ND2-CE1 3.34Å; N229-F251 WeakPolarHBondContact ND2-CE1 3.41Å; C247-F251 HydrophobicContact CB-CB 4.16Å; C247-F251 VanDerWaalsContact CB-O 3.27Å; C247-F251 WeakPolarHBondContact CB-O 3.03Å; K248-F251 HydrophobicContact CB-CD2 3.99Å; K248-F251 PolarHBondContact O-N 3.41Å; F251-C256 HydrophobicContact CB-CB 4.37Å; F251-A258 CarbonylContact C-O 3.47Å; F251-A258 WeakPolarHBondContact CA-O 3.29Å; F251-I259 HydrophobicContact CD1-CG1 4.21Å; F251-I259 HydrophobicContact CE1-CG1 3.96Å | ||
| 252 | Y | 87.9 | Confident | 87.4 | Confident | 64 Ų | 64 | 65.4 Ų | 65.4 | 25% | 0.251 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -144.4 | 157.6 | -174.1 | -51.8 | -78.4 | 0 | 0 | 0 | 111.1 | G250 C256 E257 A258 R261 | G250-Y252 WeakPolarHBondContact O-CE2 3.49Å; Y252-C256 CarbonylContact O-C 3.58Å; Y252-C256 WeakPolarHBondContact O-CA 3.47Å; Y252-E257 PolarHBondContact O-N 3.39Å; Y252-A258 PolarHBondContact N-O 3.26Å; Y252-A258 WeakPolarHBondContact O-CB 3.22Å; Y252-A258 PolarHBondContact O-N 3.23Å; Y252-R261 HydrophobicContact CD1-CG 3.51Å; Y252-R261 HydrophobicContact CD2-CB 4.5Å; Y252-R261 HydrophobicContact CD2-CG 3.8Å; Y252-R261 HydrophobicContact CE1-CG 3.32Å; Y252-R261 HydrophobicContact CE2-CG 3.61Å; Y252-R261 HydrophobicContact CG-CG 3.74Å; Y252-R261 PolarHBondContact OH-NE 3.41Å |
| 253 | G | 87.1 | Confident | 86.4 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 23% | 0.227 | 37% | 0.371 | C | S | . | . | S | Bend | trans | 119.5 | 171.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I255 C256 L264 | G253-I255 PolarHBondContact O-N 3.1Å; G253-C256 PolarHBondContact O-N 2.58Å; G253-L264 VanDerWaalsContact CA-CD2 3.5Å |
| 254 | G | 87 | Confident | 84.9 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 65% | 0.649 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -64.8 | -30.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 255 | I | 91.1 | Very high | 83.4 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 24% | 0.241 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -118.1 | 16.2 | 175.5 | 64.2 | 171.4 | 0 | 0 | 0 | 112.6 | K228 Y243 G253 E257 | K228-I255 HydrophobicContact CG-CD1 4.09Å; K228-I255 HydrophobicContact CG-CG1 4.38Å; K228-I255 PolarHBondContact N-O 2.97Å; Y243-I255 HydrophobicContact CE2-CG2 4.12Å; G253-I255 PolarHBondContact O-N 3.1Å; I255-E257 VanDerWaalsContact C-N 3.33Å; I255-E257 HydrophobicContact CD1-CB 4.47Å; I255-E257 HydrophobicContact CG1-CB 4.09Å; I255-E257 HydrophobicContact CG1-CG 4.3Å; I255-E257 WeakPolarHBondContact CG1-OE2 3.08Å; I255-E257 PolarHBondContact N-OE2 3.02Å; I255-E257 PolarHBondContact O-N 2.04Å |
| 256 | C | 92.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 41% | 0.405 | C | S | . | . | S | Bend | trans | 61.4 | 33.1 | 178.8 | -50.3 | 0 | 0 | 0 | 0 | 115.1 | N229 A231 C247 F251 Y252 G253 | N229-C256 PolarHBondContact ND2-O 2.85Å; A231-C256 HydrophobicContact CB-CB 3.68Å; A231-C256 VanDerWaalsContact CB-SG 3.56Å; C247-C256 WeakPolarHBondContact CA-SG 3.31Å; C247-C256 HydrophobicContact CB-CB 3.72Å; C247-C256 WeakPolarHBondContact CB-SG 3.32Å; C247-C256 PolarHBondContact N-SG 2.86Å; C247-C256 WeakPolarHBondContact SG-CA 3.34Å; C247-C256 WeakPolarHBondContact SG-CB 3.49Å; C247-C256 CovalentContact SG-SG 2.04Å; C247-C256 PolarHBondContact SG-SG 2.89Å; F251-C256 HydrophobicContact CB-CB 4.37Å; Y252-C256 CarbonylContact O-C 3.58Å; Y252-C256 WeakPolarHBondContact O-CA 3.47Å; G253-C256 PolarHBondContact O-N 2.58Å |
| 257 | E | 91.5 | Very high | 79.7 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 36% | 0.36 | 40% | 0.404 | S | S | . | . | trans | -79.5 | -24.3 | -176.8 | 69.1 | -83.2 | -155.6 | 0 | 0 | 114.7 | K228 Y252 I255 | K228-E257 HydrophobicContact CB-CB 4.48Å; K228-E257 HydrophobicContact CG-CB 4.28Å; Y252-E257 PolarHBondContact O-N 3.39Å; I255-E257 VanDerWaalsContact C-N 3.33Å; I255-E257 HydrophobicContact CD1-CB 4.47Å; I255-E257 HydrophobicContact CG1-CB 4.09Å; I255-E257 HydrophobicContact CG1-CG 4.3Å; I255-E257 WeakPolarHBondContact CG1-OE2 3.08Å; I255-E257 PolarHBondContact N-OE2 3.02Å; I255-E257 PolarHBondContact O-N 2.04Å | ||
| 258 | A | 86.9 | Confident | 77.8 | Confident | 12 Ų | 12 | 78.6 Ų | 78.6 | 10% | 0.099 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -94.4 | 144.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F251 Y252 A263 L264 | F251-A258 CarbonylContact C-O 3.47Å; F251-A258 WeakPolarHBondContact CA-O 3.29Å; Y252-A258 PolarHBondContact N-O 3.26Å; Y252-A258 WeakPolarHBondContact O-CB 3.22Å; Y252-A258 PolarHBondContact O-N 3.23Å; A258-A263 HydrophobicContact CB-CB 4.18Å; A258-L264 HydrophobicContact CB-CD2 4.14Å; A258-L264 HydrophobicContact CB-CG 4.13Å |
| 259 | I | 84.5 | Confident | 76.3 | Confident | 123 Ų | 123 | 78.5 Ų | 78.5 | 63% | 0.631 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -99.8 | -10.6 | 178.5 | -43.5 | 173.9 | 0 | 0 | 0 | 111.4 | G250 F251 | G250-I259 CarbonylContact O-C 3.06Å; G250-I259 WeakPolarHBondContact O-CA 3.48Å; F251-I259 HydrophobicContact CD1-CG1 4.21Å; F251-I259 HydrophobicContact CE1-CG1 3.96Å |
| 260 | E | 78.2 | Confident | 74.6 | Confident | 121 Ų | 121 | 77.6 Ų | 77.6 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -131 | 138.3 | 176.7 | -64.1 | -176.4 | -179.4 | 0 | 0 | 110.3 | S262 A263 | E260-S262 PolarHBondContact O-N 3.34Å; E260-S262 PolarHBondContact OE2-OG 2.71Å; E260-A263 HydrophobicContact CB-CB 4.39Å; E260-A263 WeakPolarHBondContact O-CB 3.23Å; E260-A263 PolarHBondContact O-N 3.39Å |
| 261 | R | 70.9 | Confident | 72.9 | Confident | 179 Ų | 179 | 80.3 Ų | 80.3 | 68% | 0.675 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -58.5 | -33.9 | 176.2 | -69 | -173.7 | -172.2 | -137 | -0.4 | 112.1 | Y252 A263 L264 | Y252-R261 HydrophobicContact CD1-CG 3.51Å; Y252-R261 HydrophobicContact CD2-CB 4.5Å; Y252-R261 HydrophobicContact CD2-CG 3.8Å; Y252-R261 HydrophobicContact CE1-CG 3.32Å; Y252-R261 HydrophobicContact CE2-CG 3.61Å; Y252-R261 HydrophobicContact CG-CG 3.74Å; Y252-R261 PolarHBondContact OH-NE 3.41Å; R261-A263 VanDerWaalsContact C-N 3.29Å; R261-A263 PolarHBondContact O-N 2.9Å; R261-L264 PolarHBondContact O-N 3.33Å |
| 262 | S | 70.5 | Confident | 71.3 | Confident | 67 Ų | 67 | 81.3 Ų | 81.3 | 47% | 0.469 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.4 | -27.7 | 177.4 | 28.2 | 0 | 0 | 0 | 0 | 113.5 | E260 L264 L265 S266 | E260-S262 PolarHBondContact O-N 3.34Å; E260-S262 PolarHBondContact OE2-OG 2.71Å; S262-L264 PolarHBondContact O-N 3.27Å; S262-L265 PolarHBondContact O-N 3.05Å; S262-S266 PolarHBondContact O-N 2.81Å |
| 263 | A | 61.9 | Low | 69.7 | Low | 37 Ų | 37 | 82.5 Ų | 82.5 | 31% | 0.306 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.9 | -20.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A258 E260 R261 S266 K267 | A258-A263 HydrophobicContact CB-CB 4.18Å; E260-A263 HydrophobicContact CB-CB 4.39Å; E260-A263 WeakPolarHBondContact O-CB 3.23Å; E260-A263 PolarHBondContact O-N 3.39Å; R261-A263 VanDerWaalsContact C-N 3.29Å; R261-A263 PolarHBondContact O-N 2.9Å; A263-S266 WeakPolarHBondContact CA-OG 3.47Å; A263-S266 PolarHBondContact O-OG 3.47Å; A263-K267 PolarHBondContact O-N 2.04Å |
| 264 | L | 57 | Low | 68 | Low | 53 Ų | 53 | 85.1 Ų | 85.1 | 28% | 0.277 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -76.5 | -36.4 | 171.5 | -66 | 168.9 | 0 | 0 | 0 | 111.7 | G253 A258 R261 S262 Y268 | G253-L264 VanDerWaalsContact CA-CD2 3.5Å; A258-L264 HydrophobicContact CB-CD2 4.14Å; A258-L264 HydrophobicContact CB-CG 4.13Å; R261-L264 PolarHBondContact O-N 3.33Å; S262-L264 PolarHBondContact O-N 3.27Å; L264-Y268 PolarHBondContact O-N 3.47Å; L264-Y268 VanDerWaalsContact O-N 3.12Å |
| 265 | L | 59.2 | Low | 66.3 | Low | 115 Ų | 115 | 87.7 Ų | 87.7 | 60% | 0.602 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -70.8 | -36.3 | 175.1 | -75 | 162.6 | 0 | 0 | 0 | 111 | S262 I269 | S262-L265 PolarHBondContact O-N 3.05Å; L265-I269 VanDerWaalsContact O-CB 3.24Å; L265-I269 WeakPolarHBondContact O-CB 3.02Å; L265-I269 WeakPolarHBondContact O-CD1 3.49Å; L265-I269 WeakPolarHBondContact O-CG1 3.07Å; L265-I269 PolarHBondContact O-N 2.03Å |
| 266 | S | 57.4 | Low | 64.6 | Low | 59 Ų | 59 | 91.7 Ų | 91.7 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 176.7 | 66.9 | 0 | 0 | 0 | 0 | 112 | S262 A263 L270 | S262-S266 PolarHBondContact O-N 2.81Å; A263-S266 WeakPolarHBondContact CA-OG 3.47Å; A263-S266 PolarHBondContact O-OG 3.47Å; S266-L270 WeakPolarHBondContact O-CB 3.29Å; S266-L270 WeakPolarHBondContact O-CD1 3.28Å; S266-L270 WeakPolarHBondContact O-CG 3.04Å; S266-L270 PolarHBondContact O-N 3.27Å |
| 267 | K | 53.5 | Low | 62.4 | Low | 118 Ų | 118 | 94.8 Ų | 94.8 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.4 | -42.2 | 176.3 | -162.7 | 175.9 | -178 | -177.5 | 0 | 112.6 | A263 L270 D271 | A263-K267 PolarHBondContact O-N 2.04Å; K267-L270 PolarHBondContact O-N 2.93Å; K267-D271 WeakPolarHBondContact O-CB 3.06Å; K267-D271 PolarHBondContact O-N 3.23Å |
| 268 | Y | 53.9 | Low | 60.6 | Low | 176 Ų | 176 | 97.5 Ų | 97.5 | 69% | 0.69 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 172 | -95.3 | -89.3 | 0 | 0 | 0 | 111.5 | L264 D271 T272 | L264-Y268 PolarHBondContact O-N 3.47Å; L264-Y268 VanDerWaalsContact O-N 3.12Å; Y268-D271 PolarHBondContact O-N 3.23Å; Y268-T272 WeakPolarHBondContact O-CB 3.47Å; Y268-T272 PolarHBondContact O-N 3.32Å; Y268-T272 PolarHBondContact O-OG1 3.04Å |
| 269 | I | 59.6 | Low | 58.8 | Low | 97 Ų | 97 | 104.2 Ų | 104.2 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.3 | -38.9 | 176.8 | -68 | 165.1 | 0 | 0 | 0 | 110.5 | L265 L273 | L265-I269 VanDerWaalsContact O-CB 3.24Å; L265-I269 WeakPolarHBondContact O-CB 3.02Å; L265-I269 WeakPolarHBondContact O-CD1 3.49Å; L265-I269 WeakPolarHBondContact O-CG1 3.07Å; L265-I269 PolarHBondContact O-N 2.03Å; I269-L273 HydrophobicContact CG2-CD1 3.42Å; I269-L273 VanDerWaalsContact CG2-CD1 3.42Å; I269-L273 HydrophobicContact CG2-CG 4.16Å; I269-L273 WeakPolarHBondContact O-CA 3.07Å; I269-L273 WeakPolarHBondContact O-CB 3.37Å; I269-L273 VanDerWaalsContact O-CD1 3.28Å; I269-L273 WeakPolarHBondContact O-CD1 3.38Å; I269-L273 WeakPolarHBondContact O-CG 3.24Å; I269-L273 PolarHBondContact O-N 3.19Å |
| 270 | L | 55 | Low | 56.9 | Low | 112 Ų | 112 | 104 Ų | 104 | 59% | 0.586 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.6 | -44.3 | 174.8 | -88.6 | 151.7 | 0 | 0 | 0 | 112.5 | S266 K267 L273 C274 | S266-L270 WeakPolarHBondContact O-CB 3.29Å; S266-L270 WeakPolarHBondContact O-CD1 3.28Å; S266-L270 WeakPolarHBondContact O-CG 3.04Å; S266-L270 PolarHBondContact O-N 3.27Å; K267-L270 PolarHBondContact O-N 2.93Å; L270-L273 PolarHBondContact O-N 2.91Å; L270-C274 WeakPolarHBondContact O-CB 3.12Å; L270-C274 PolarHBondContact O-N 3.11Å |
| 271 | D | 54 | Low | 55 | Low | 92 Ų | 92 | 101.9 Ų | 101.9 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.4 | -36 | 178.8 | -71.3 | -20.8 | 0 | 0 | 0 | 111.4 | K267 Y268 C274 C275 | K267-D271 WeakPolarHBondContact O-CB 3.06Å; K267-D271 PolarHBondContact O-N 3.23Å; Y268-D271 PolarHBondContact O-N 3.23Å; D271-C274 PolarHBondContact O-N 3.4Å; D271-C275 WeakPolarHBondContact O-CB 3.5Å; D271-C275 PolarHBondContact O-N 3.28Å |
| 272 | T | 56.4 | Low | 53.5 | Low | 73 Ų | 73 | 105 Ų | 105 | 45% | 0.448 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -72.6 | -37.9 | 174.2 | -39.7 | 0 | 0 | 0 | 0 | 110.8 | Y268 L276 | Y268-T272 WeakPolarHBondContact O-CB 3.47Å; Y268-T272 PolarHBondContact O-N 3.32Å; Y268-T272 PolarHBondContact O-OG1 3.04Å; T272-L276 HydrophobicContact CG2-CD1 4.01Å; T272-L276 VanDerWaalsContact O-CB 3.24Å; T272-L276 WeakPolarHBondContact O-CB 3.39Å; T272-L276 VanDerWaalsContact O-CD1 3.31Å; T272-L276 WeakPolarHBondContact O-CD1 3.47Å; T272-L276 WeakPolarHBondContact O-CG 3.23Å; T272-L276 PolarHBondContact O-N 3.18Å |
| 273 | L | 54.6 | Low | 52.6 | Low | 89 Ų | 89 | 106.9 Ų | 106.9 | 47% | 0.466 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.8 | -33.8 | 171.3 | -77.5 | 163.3 | 0 | 0 | 0 | 111.6 | I269 L270 L276 C277 | I269-L273 HydrophobicContact CG2-CD1 3.42Å; I269-L273 VanDerWaalsContact CG2-CD1 3.42Å; I269-L273 HydrophobicContact CG2-CG 4.16Å; I269-L273 WeakPolarHBondContact O-CA 3.07Å; I269-L273 WeakPolarHBondContact O-CB 3.37Å; I269-L273 VanDerWaalsContact O-CD1 3.28Å; I269-L273 WeakPolarHBondContact O-CD1 3.38Å; I269-L273 WeakPolarHBondContact O-CG 3.24Å; I269-L273 PolarHBondContact O-N 3.19Å; L270-L273 PolarHBondContact O-N 2.91Å; L273-L276 CarbonylContact O-C 3.41Å; L273-L276 PolarHBondContact O-N 2.94Å; L273-C277 WeakPolarHBondContact O-CB 3.41Å; L273-C277 PolarHBondContact O-N 3.34Å; L273-C277 PolarHBondContact O-SG 2.78Å |
| 274 | C | 52.6 | Low | 52.2 | Low | 77 Ų | 77 | 110.6 Ų | 110.6 | 52% | 0.52 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.6 | -37.1 | 176.9 | -149.1 | 0 | 0 | 0 | 0 | 111.2 | L270 D271 L276 | L270-C274 WeakPolarHBondContact O-CB 3.12Å; L270-C274 PolarHBondContact O-N 3.11Å; D271-C274 PolarHBondContact O-N 3.4Å; C274-L276 VanDerWaalsContact C-N 3.32Å |
| 275 | C | 51.9 | Low | 51.9 | Low | 117 Ų | 117 | 113.8 Ų | 113.8 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.1 | -25.1 | 170.6 | -80.1 | 0 | 0 | 0 | 0 | 113.3 | D271 | D271-C275 WeakPolarHBondContact O-CB 3.5Å; D271-C275 PolarHBondContact O-N 3.28Å |
| 276 | L | 55.3 | Low | 51.5 | Low | 131 Ų | 131 | 113.7 Ų | 113.7 | 69% | 0.686 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -89 | -21.8 | 175.7 | -73.8 | 164.9 | 0 | 0 | 0 | 113 | T272 L273 C274 | T272-L276 HydrophobicContact CG2-CD1 4.01Å; T272-L276 VanDerWaalsContact O-CB 3.24Å; T272-L276 WeakPolarHBondContact O-CB 3.39Å; T272-L276 VanDerWaalsContact O-CD1 3.31Å; T272-L276 WeakPolarHBondContact O-CD1 3.47Å; T272-L276 WeakPolarHBondContact O-CG 3.23Å; T272-L276 PolarHBondContact O-N 3.18Å; L273-L276 CarbonylContact O-C 3.41Å; L273-L276 PolarHBondContact O-N 2.94Å; C274-L276 VanDerWaalsContact C-N 3.32Å |
| 277 | C | 46.6 | Very low | 51.1 | Low | 66 Ų | 66 | 117.1 Ų | 117.1 | 45% | 0.446 | 66% | 0.656 | S | S | . | * | trans | -97.6 | 96.7 | 176.6 | -71.9 | 0 | 0 | 0 | 0 | 109.8 | L273 L279 | L273-C277 WeakPolarHBondContact O-CB 3.41Å; L273-C277 PolarHBondContact O-N 3.34Å; L273-C277 PolarHBondContact O-SG 2.78Å; C277-L279 PolarHBondContact O-N 2.8Å | ||
| 278 | T | 52.3 | Low | 50.9 | Low | 133 Ų | 133 | 117.1 Ų | 117.1 | 82% | 0.816 | 67% | 0.666 | S | S | * | * | trans | -62.9 | 35.4 | 161.3 | 37.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 279 | L | 50.3 | Low | 50.7 | Low | 153 Ų | 153 | 112.9 Ų | 112.9 | 80% | 0.801 | 66% | 0.664 | S | S | * | * | trans | -115.3 | 44.9 | 177.5 | -76.9 | 161.7 | 0 | 0 | 0 | 111.1 | C277 | C277-L279 PolarHBondContact O-N 2.8Š| ||
| 280 | C | 43.8 | Very low | 50 | Low | 119 Ų | 119 | 114.1 Ų | 114.1 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -126 | 49.8 | 154.9 | -75.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 281 | A | 37.5 | Very low | 49.6 | Very low | 77 Ų | 77 | 114.3 Ų | 114.3 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | trans | -128 | 83.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 282 | D | 40.1 | Very low | 49.2 | Very low | 244 Ų | 244 | 116.3 Ų | 116.3 | 100% | 1.305 | 70% | 0.702 | S | S | * | * | trans | -171.4 | 0 | 147.1 | -86.9 | -25.3 | 0 | 0 | 0 | 108.7 |
Retrieved 282 of 282 residues in 574.4 ms
(Link to these results)