| 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 | 40.7 | Very low | 62.5 | Low | 245 Ų | 245 | 115.5 Ų | 115.5 | 100% | 1.207 | 68% | 0.681 | S | S | * | * | 0 | 112.9 | 0 | -71.6 | 165.9 | 164 | 0 | 0 | 106.1 | S3 | M1-S3 PolarHBondContact O-N 3.33Š| |||
| 2 | A | 46.8 | Very low | 64.1 | Low | 102 Ų | 102 | 116.3 Ų | 116.3 | 84% | 0.843 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 121.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 3 | S | 45.6 | Very low | 65.4 | Low | 108 Ų | 108 | 114.7 Ų | 114.7 | 76% | 0.755 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 133.6 | 172 | -56.7 | 0 | 0 | 0 | 0 | 108.9 | M1 S5 | M1-S3 PolarHBondContact O-N 3.33Å; S3-S5 PolarHBondContact O-N 3.46Å |
| 4 | P | 62.5 | Low | 66.4 | Low | 128 Ų | 128 | 110.5 Ų | 110.5 | 83% | 0.831 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 129.1 | 178.1 | 23.7 | -30.4 | 0 | 0 | 0 | 109.5 | ||
| 5 | S | 62.5 | Low | 67.5 | Low | 73 Ų | 73 | 109.3 Ų | 109.3 | 51% | 0.51 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 147.5 | 172.2 | -55.1 | 0 | 0 | 0 | 0 | 109.9 | S3 Q21 | S3-S5 PolarHBondContact O-N 3.46Å; S5-Q21 PolarHBondContact OG-NE2 3.47Å |
| 6 | P | 68.4 | Low | 68.4 | Low | 114 Ų | 114 | 115.3 Ų | 115.3 | 74% | 0.74 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 148 | 175.4 | 24.9 | -33.3 | 0 | 0 | 0 | 110.9 | ||
| 7 | P | 66.4 | Low | 69.2 | Low | 85 Ų | 85 | 110.4 Ų | 110.4 | 55% | 0.552 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -63 | 146.5 | 178 | 27.7 | -33.9 | 0 | 0 | 0 | 110.5 | Y25 | P7-Y25 HydrophobicContact CB-CD2 4.22Å; P7-Y25 HydrophobicContact CB-CE2 3.8Å |
| 8 | P | 72.4 | Confident | 70.1 | Confident | 28 Ų | 28 | 109.2 Ų | 109.2 | 18% | 0.182 | 59% | 0.593 | C | S | . | * | P | Polyproline II helix | trans | -65.5 | 138 | 178.8 | 28.2 | -34.8 | 0 | 0 | 0 | 110.6 | E13 W14 L17 | P8-E13 HydrophobicContact CB-CB 3.69Å; P8-W14 HydrophobicContact CG-CB 4.49Å; P8-W14 HydrophobicContact CG-CE3 3.5Å; P8-W14 VanDerWaalsContact CG-CE3 3.5Å; P8-W14 HydrophobicContact CG-CZ3 4.04Å; P8-L17 HydrophobicContact CB-CD1 4.3Å; P8-L17 HydrophobicContact CG-CD1 3.72Å |
| 9 | E | 69 | Low | 70.9 | Confident | 186 Ų | 186 | 108.6 Ų | 108.6 | 87% | 0.869 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -93.4 | -6.8 | -177.6 | -60.8 | -169.3 | 142.3 | 0 | 0 | 112.1 | E13 | E9-E13 PolarHBondContact N-OE2 2.89Š|
| 10 | S | 77.9 | Confident | 71.5 | Confident | 48 Ų | 48 | 106.1 Ų | 106.1 | 34% | 0.336 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -143.9 | 167.6 | 176.1 | 93.6 | 0 | 0 | 0 | 0 | 114.4 | E12 E13 W14 | S10-E12 VanDerWaalsContact C-N 3.34Å; S10-E12 VanDerWaalsContact CB-OE2 3.3Å; S10-E12 WeakPolarHBondContact CB-OE2 3.32Å; S10-E12 PolarHBondContact OG-N 2.68Å; S10-E12 PolarHBondContact OG-OE2 3.15Å; S10-E13 PolarHBondContact O-N 3.21Å; S10-E13 PolarHBondContact OG-N 2.89Å; S10-W14 PolarHBondContact O-N 2.96Å; S10-W14 VanDerWaalsContact O-N 3.16Å |
| 11 | K | 75.7 | Confident | 72 | Confident | 153 Ų | 153 | 104.5 Ų | 104.5 | 67% | 0.665 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.8 | -33.4 | 177.1 | -174 | 166.2 | 175 | 61.5 | 0 | 112 | W14 D15 | K11-W14 WeakPolarHBondContact O-CB 3.41Å; K11-W14 PolarHBondContact O-N 3.02Å; K11-D15 PolarHBondContact O-N 3.31Å |
| 12 | E | 81.1 | Confident | 73.9 | Confident | 126 Ų | 126 | 96 Ų | 96 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63 | -46.2 | 174.5 | -59.3 | 83.7 | -173 | 0 | 0 | 110.6 | S10 W14 D15 Y16 | S10-E12 VanDerWaalsContact C-N 3.34Å; S10-E12 VanDerWaalsContact CB-OE2 3.3Å; S10-E12 WeakPolarHBondContact CB-OE2 3.32Å; S10-E12 PolarHBondContact OG-N 2.68Å; S10-E12 PolarHBondContact OG-OE2 3.15Å; E12-W14 VanDerWaalsContact C-N 3.28Å; E12-W14 PolarHBondContact O-N 3.48Å; E12-D15 PolarHBondContact O-N 3.25Å; E12-D15 VanDerWaalsContact O-N 3.07Å; E12-Y16 WeakPolarHBondContact O-CD2 3.29Å; E12-Y16 PolarHBondContact O-N 3.3Å |
| 13 | E | 81.8 | Confident | 75.7 | Confident | 95 Ų | 95 | 94 Ų | 94 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -37 | 177.6 | -68.4 | -173.3 | 154.5 | 0 | 0 | 112.3 | P8 E9 S10 D15 Y16 L17 | P8-E13 HydrophobicContact CB-CB 3.69Å; E9-E13 PolarHBondContact N-OE2 2.89Å; S10-E13 PolarHBondContact O-N 3.21Å; S10-E13 PolarHBondContact OG-N 2.89Å; E13-D15 VanDerWaalsContact C-N 3.28Å; E13-D15 PolarHBondContact O-N 2.94Å; E13-Y16 PolarHBondContact O-N 3.43Å; E13-Y16 VanDerWaalsContact O-N 3.15Å; E13-L17 PolarHBondContact O-N 2.89Å |
| 14 | W | 78.9 | Confident | 77.4 | Confident | 56 Ų | 56 | 94.2 Ų | 94.2 | 21% | 0.212 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -56.6 | -42.4 | 173.1 | -175.1 | -87 | 0 | 0 | 0 | 112.2 | P8 S10 K11 E12 Y16 L17 R22 Y25 | P8-W14 HydrophobicContact CG-CB 4.49Å; P8-W14 HydrophobicContact CG-CE3 3.5Å; P8-W14 VanDerWaalsContact CG-CE3 3.5Å; P8-W14 HydrophobicContact CG-CZ3 4.04Å; S10-W14 PolarHBondContact O-N 2.96Å; S10-W14 VanDerWaalsContact O-N 3.16Å; K11-W14 WeakPolarHBondContact O-CB 3.41Å; K11-W14 PolarHBondContact O-N 3.02Å; E12-W14 VanDerWaalsContact C-N 3.28Å; E12-W14 PolarHBondContact O-N 3.48Å; W14-Y16 PolarHBondContact O-N 2.82Å; W14-L17 HydrophobicContact CE3-CD1 4.19Å; W14-L17 HydrophobicContact CZ3-CD1 4.36Å; W14-L17 WeakPolarHBondContact O-CB 3.37Å; W14-L17 PolarHBondContact O-N 3.45Å; W14-R22 HydrophobicContact CH2-CB 4.41Å; W14-R22 HydrophobicContact CH2-CG 4.5Å; W14-R22 HydrophobicContact CZ2-CB 4.02Å; W14-R22 HydrophobicContact CZ2-CG 4.01Å; W14-R22 PolarHBondContact O-NE 3.37Å; W14-R22 PolarHBondContact O-NH2 3.31Å; W14-Y25 HydrophobicContact CE3-CD1 4.47Å; W14-Y25 HydrophobicContact CE3-CE1 4.39Å; W14-Y25 AromaticContact CH2-CD1 3.13Å; W14-Y25 HydrophobicContact CH2-CD1 3.13Å; W14-Y25 AromaticContact CH2-CE1 3.65Å; W14-Y25 HydrophobicContact CH2-CE1 3.65Å; W14-Y25 AromaticContact CH2-CG 3.67Å; W14-Y25 HydrophobicContact CH2-CG 3.67Å; W14-Y25 HydrophobicContact CZ2-CD1 4.43Å; W14-Y25 AromaticContact CZ3-CD1 3.15Å; W14-Y25 HydrophobicContact CZ3-CD1 3.15Å; W14-Y25 HydrophobicContact CZ3-CD2 4.02Å; W14-Y25 AromaticContact CZ3-CE1 3.33Å; W14-Y25 HydrophobicContact CZ3-CE1 3.33Å; W14-Y25 HydrophobicContact CZ3-CE2 4.21Å; W14-Y25 AromaticContact CZ3-CG 3.48Å; W14-Y25 HydrophobicContact CZ3-CG 3.48Å; W14-Y25 VanDerWaalsContact CZ3-CG 3.48Å; W14-Y25 AromaticContact CZ3-CZ 3.88Å |
| 15 | D | 82.6 | Confident | 78.2 | Confident | 92 Ų | 92 | 91.9 Ų | 91.9 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.7 | -15.9 | -178.9 | -73 | -16.3 | 0 | 0 | 0 | 113.3 | K11 E12 E13 R22 | K11-D15 PolarHBondContact O-N 3.31Å; E12-D15 PolarHBondContact O-N 3.25Å; E12-D15 VanDerWaalsContact O-N 3.07Å; E13-D15 VanDerWaalsContact C-N 3.28Å; E13-D15 PolarHBondContact O-N 2.94Å; D15-R22 VanDerWaalsContact CA-NH2 3.35Å; D15-R22 PolarHBondContact O-NH2 2.91Å |
| 16 | Y | 82.5 | Confident | 79.1 | Confident | 206 Ų | 206 | 94.3 Ų | 94.3 | 81% | 0.808 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -93.1 | -9.1 | 172.2 | -69.3 | -70.6 | 0 | 0 | 0 | 114.4 | E12 E13 W14 | E12-Y16 WeakPolarHBondContact O-CD2 3.29Å; E12-Y16 PolarHBondContact O-N 3.3Å; E13-Y16 PolarHBondContact O-N 3.43Å; E13-Y16 VanDerWaalsContact O-N 3.15Å; W14-Y16 PolarHBondContact O-N 2.82Å |
| 17 | L | 81.4 | Confident | 79.8 | Confident | 32 Ų | 32 | 93.1 Ų | 93.1 | 17% | 0.168 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -68.8 | 146.1 | 178.1 | -71 | 178.7 | 0 | 0 | 0 | 113 | P8 E13 W14 Q21 R22 | P8-L17 HydrophobicContact CB-CD1 4.3Å; P8-L17 HydrophobicContact CG-CD1 3.72Å; E13-L17 PolarHBondContact O-N 2.89Å; W14-L17 HydrophobicContact CE3-CD1 4.19Å; W14-L17 HydrophobicContact CZ3-CD1 4.36Å; W14-L17 WeakPolarHBondContact O-CB 3.37Å; W14-L17 PolarHBondContact O-N 3.45Å; L17-Q21 HydrophobicContact CB-CB 4.48Å; L17-Q21 HydrophobicContact CD2-CB 4.47Å; L17-R22 HydrophobicContact CB-CG 3.76Å; L17-R22 HydrophobicContact CD1-CG 4.32Å; L17-R22 PolarHBondContact O-NE 3.38Å; L17-R22 PolarHBondContact O-NH2 3.24Å |
| 18 | D | 85.6 | Confident | 80.4 | Confident | 89 Ų | 89 | 92.3 Ų | 92.3 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | trans | -63.7 | 144.3 | 171.2 | -174.6 | -90.1 | 0 | 0 | 0 | 110.9 | A20 Q21 R22 | D18-A20 PolarHBondContact O-N 3.28Å; D18-A20 VanDerWaalsContact O-N 3.12Å; D18-A20 VanDerWaalsContact OD1-CB 3.25Å; D18-A20 WeakPolarHBondContact OD1-CB 3.29Å; D18-A20 PolarHBondContact OD1-N 3.39Å; D18-Q21 HydrophobicContact CB-CG 4.31Å; D18-Q21 WeakPolarHBondContact O-CB 3.46Å; D18-Q21 PolarHBondContact O-N 2.82Å; D18-R22 PolarHBondContact O-N 3.09Å | ||
| 19 | P | 85.3 | Confident | 80.8 | Confident | 98 Ų | 98 | 95 Ų | 95 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -50.6 | -35.9 | 176.8 | -29.4 | 36.3 | 0 | 0 | 0 | 114.4 | R22 S23 | P19-R22 PolarHBondContact O-N 2.68Å; P19-S23 PolarHBondContact O-N 2.87Å |
| 20 | A | 83 | Confident | 81.1 | Confident | 57 Ų | 57 | 92.4 Ų | 92.4 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.8 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D18 S23 L24 | D18-A20 PolarHBondContact O-N 3.28Å; D18-A20 VanDerWaalsContact O-N 3.12Å; D18-A20 VanDerWaalsContact OD1-CB 3.25Å; D18-A20 WeakPolarHBondContact OD1-CB 3.29Å; D18-A20 PolarHBondContact OD1-N 3.39Å; A20-S23 PolarHBondContact O-N 3.43Å; A20-L24 PolarHBondContact O-N 2.85Å |
| 21 | Q | 81.1 | Confident | 81 | Confident | 74 Ų | 74 | 96.3 Ų | 96.3 | 35% | 0.346 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.2 | -39 | 175.9 | -68.5 | -179.1 | -60.7 | 0 | 0 | 111.7 | S5 L17 D18 S23 L24 Y25 | S5-Q21 PolarHBondContact OG-NE2 3.47Å; L17-Q21 HydrophobicContact CB-CB 4.48Å; L17-Q21 HydrophobicContact CD2-CB 4.47Å; D18-Q21 HydrophobicContact CB-CG 4.31Å; D18-Q21 WeakPolarHBondContact O-CB 3.46Å; D18-Q21 PolarHBondContact O-N 2.82Å; Q21-S23 VanDerWaalsContact C-N 3.32Å; Q21-S23 PolarHBondContact O-N 3.26Å; Q21-L24 PolarHBondContact O-N 3.34Å; Q21-Y25 WeakPolarHBondContact O-CB 3.32Å; Q21-Y25 PolarHBondContact O-N 2.93Å |
| 22 | R | 81.3 | Confident | 81 | Confident | 66 Ų | 66 | 92.7 Ų | 92.7 | 25% | 0.249 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 174.3 | -65.2 | -176.6 | -170 | 167.2 | 16.7 | 112.1 | W14 D15 L17 D18 P19 K26 | W14-R22 HydrophobicContact CH2-CB 4.41Å; W14-R22 HydrophobicContact CH2-CG 4.5Å; W14-R22 HydrophobicContact CZ2-CB 4.02Å; W14-R22 HydrophobicContact CZ2-CG 4.01Å; W14-R22 PolarHBondContact O-NE 3.37Å; W14-R22 PolarHBondContact O-NH2 3.31Å; D15-R22 VanDerWaalsContact CA-NH2 3.35Å; D15-R22 PolarHBondContact O-NH2 2.91Å; L17-R22 HydrophobicContact CB-CG 3.76Å; L17-R22 HydrophobicContact CD1-CG 4.32Å; L17-R22 PolarHBondContact O-NE 3.38Å; L17-R22 PolarHBondContact O-NH2 3.24Å; D18-R22 PolarHBondContact O-N 3.09Å; P19-R22 PolarHBondContact O-N 2.68Å; R22-K26 VanDerWaalsContact O-CG 3.29Å; R22-K26 WeakPolarHBondContact O-CG 3.21Å; R22-K26 PolarHBondContact O-N 3.45Å |
| 23 | S | 83.8 | Confident | 80.5 | Confident | 59 Ų | 59 | 91.7 Ų | 91.7 | 41% | 0.413 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.2 | -53.6 | 174.6 | -165.6 | 0 | 0 | 0 | 0 | 110.4 | P19 A20 Q21 Y25 K26 D27 | P19-S23 PolarHBondContact O-N 2.87Å; A20-S23 PolarHBondContact O-N 3.43Å; Q21-S23 VanDerWaalsContact C-N 3.32Å; Q21-S23 PolarHBondContact O-N 3.26Å; S23-Y25 VanDerWaalsContact C-N 3.3Å; S23-Y25 PolarHBondContact O-N 2.84Å; S23-K26 WeakPolarHBondContact O-CB 3.28Å; S23-K26 PolarHBondContact O-N 3.31Å; S23-D27 VanDerWaalsContact O-CG 3.23Å; S23-D27 PolarHBondContact O-N 3.25Å |
| 24 | L | 82.8 | Confident | 80.1 | Confident | 113 Ų | 113 | 88.9 Ų | 88.9 | 59% | 0.592 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -55.2 | -43.7 | 177.7 | -98.5 | 153.2 | 0 | 0 | 0 | 112.6 | A20 Q21 D27 V28 | A20-L24 PolarHBondContact O-N 2.85Å; Q21-L24 PolarHBondContact O-N 3.34Å; L24-D27 PolarHBondContact O-N 2.93Å; L24-V28 WeakPolarHBondContact O-CB 3.4Å; L24-V28 VanDerWaalsContact O-CG2 3.27Å; L24-V28 WeakPolarHBondContact O-CG2 3.24Å; L24-V28 PolarHBondContact O-N 3.22Å |
| 25 | Y | 79.8 | Confident | 79.7 | Confident | 80 Ų | 80 | 90.7 Ų | 90.7 | 31% | 0.314 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 176.5 | 177.6 | -82.9 | 0 | 0 | 0 | 112.1 | P7 W14 Q21 S23 D27 V28 M29 | P7-Y25 HydrophobicContact CB-CD2 4.22Å; P7-Y25 HydrophobicContact CB-CE2 3.8Å; W14-Y25 HydrophobicContact CE3-CD1 4.47Å; W14-Y25 HydrophobicContact CE3-CE1 4.39Å; W14-Y25 AromaticContact CH2-CD1 3.13Å; W14-Y25 HydrophobicContact CH2-CD1 3.13Å; W14-Y25 AromaticContact CH2-CE1 3.65Å; W14-Y25 HydrophobicContact CH2-CE1 3.65Å; W14-Y25 AromaticContact CH2-CG 3.67Å; W14-Y25 HydrophobicContact CH2-CG 3.67Å; W14-Y25 HydrophobicContact CZ2-CD1 4.43Å; W14-Y25 AromaticContact CZ3-CD1 3.15Å; W14-Y25 HydrophobicContact CZ3-CD1 3.15Å; W14-Y25 HydrophobicContact CZ3-CD2 4.02Å; W14-Y25 AromaticContact CZ3-CE1 3.33Å; W14-Y25 HydrophobicContact CZ3-CE1 3.33Å; W14-Y25 HydrophobicContact CZ3-CE2 4.21Å; W14-Y25 AromaticContact CZ3-CG 3.48Å; W14-Y25 HydrophobicContact CZ3-CG 3.48Å; W14-Y25 VanDerWaalsContact CZ3-CG 3.48Å; W14-Y25 AromaticContact CZ3-CZ 3.88Å; Q21-Y25 WeakPolarHBondContact O-CB 3.32Å; Q21-Y25 PolarHBondContact O-N 2.93Å; S23-Y25 VanDerWaalsContact C-N 3.3Å; S23-Y25 PolarHBondContact O-N 2.84Å; Y25-D27 VanDerWaalsContact C-N 3.3Å; Y25-D27 PolarHBondContact O-N 3.27Å; Y25-V28 PolarHBondContact O-N 3.11Å; Y25-M29 HydrophobicContact CD1-CG 3.74Å; Y25-M29 HydrophobicContact CD2-CG 4.43Å; Y25-M29 HydrophobicContact CE1-CB 4.36Å; Y25-M29 HydrophobicContact CE1-CG 3.37Å; Y25-M29 HydrophobicContact CE2-CG 4.07Å; Y25-M29 HydrophobicContact CE2-SD 4.49Å; Y25-M29 HydrophobicContact CG-CG 4.31Å; Y25-M29 WeakPolarHBondContact O-CB 3.5Å; Y25-M29 VanDerWaalsContact O-CG 3.32Å; Y25-M29 WeakPolarHBondContact O-CG 3.42Å; Y25-M29 PolarHBondContact O-N 3.47Å |
| 26 | K | 80.1 | Confident | 79 | Confident | 124 Ų | 124 | 89.5 Ų | 89.5 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 177.2 | -74.9 | 173.7 | -177.8 | -178.2 | 0 | 110.7 | R22 S23 M29 M30 | R22-K26 VanDerWaalsContact O-CG 3.29Å; R22-K26 WeakPolarHBondContact O-CG 3.21Å; R22-K26 PolarHBondContact O-N 3.45Å; S23-K26 WeakPolarHBondContact O-CB 3.28Å; S23-K26 PolarHBondContact O-N 3.31Å; K26-M29 PolarHBondContact O-N 2.86Å; K26-M30 WeakPolarHBondContact O-CB 3.15Å; K26-M30 WeakPolarHBondContact O-CG 3.33Å; K26-M30 PolarHBondContact O-N 3.44Å |
| 27 | D | 82.4 | Confident | 78.1 | Confident | 89 Ų | 89 | 82.8 Ų | 82.8 | 48% | 0.476 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 179.1 | -62.3 | -26.7 | 0 | 0 | 0 | 110.5 | S23 L24 Y25 M29 M30 E31 | S23-D27 VanDerWaalsContact O-CG 3.23Å; S23-D27 PolarHBondContact O-N 3.25Å; L24-D27 PolarHBondContact O-N 2.93Å; Y25-D27 VanDerWaalsContact C-N 3.3Å; Y25-D27 PolarHBondContact O-N 3.27Å; D27-M29 PolarHBondContact O-N 2.92Å; D27-M30 PolarHBondContact O-N 3.2Å; D27-E31 WeakPolarHBondContact O-CG 3.45Å; D27-E31 PolarHBondContact O-N 3Å |
| 28 | V | 79.4 | Confident | 77.3 | Confident | 68 Ų | 68 | 86.3 Ų | 86.3 | 41% | 0.412 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 177.1 | 172 | 0 | 0 | 0 | 0 | 112.1 | L24 Y25 E31 N32 | L24-V28 WeakPolarHBondContact O-CB 3.4Å; L24-V28 VanDerWaalsContact O-CG2 3.27Å; L24-V28 WeakPolarHBondContact O-CG2 3.24Å; L24-V28 PolarHBondContact O-N 3.22Å; Y25-V28 PolarHBondContact O-N 3.11Å; V28-E31 PolarHBondContact O-N 3.25Å; V28-N32 WeakPolarHBondContact O-CB 3.42Å; V28-N32 VanDerWaalsContact O-CG 3.22Å; V28-N32 PolarHBondContact O-N 2.97Å; V28-N32 PolarHBondContact O-ND2 3.29Å |
| 29 | M | 81.8 | Confident | 76.4 | Confident | 85 Ų | 85 | 87.6 Ų | 87.6 | 42% | 0.419 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.7 | -34.6 | 177.7 | -75.9 | -56.7 | -64.5 | 0 | 0 | 112.8 | Y25 K26 D27 N32 Y33 | Y25-M29 HydrophobicContact CD1-CG 3.74Å; Y25-M29 HydrophobicContact CD2-CG 4.43Å; Y25-M29 HydrophobicContact CE1-CB 4.36Å; Y25-M29 HydrophobicContact CE1-CG 3.37Å; Y25-M29 HydrophobicContact CE2-CG 4.07Å; Y25-M29 HydrophobicContact CE2-SD 4.49Å; Y25-M29 HydrophobicContact CG-CG 4.31Å; Y25-M29 WeakPolarHBondContact O-CB 3.5Å; Y25-M29 VanDerWaalsContact O-CG 3.32Å; Y25-M29 WeakPolarHBondContact O-CG 3.42Å; Y25-M29 PolarHBondContact O-N 3.47Å; K26-M29 PolarHBondContact O-N 2.86Å; D27-M29 PolarHBondContact O-N 2.92Å; M29-N32 PolarHBondContact O-N 3.34Å; M29-Y33 WeakPolarHBondContact O-CB 3.32Å; M29-Y33 PolarHBondContact O-N 2.86Å |
| 30 | M | 75 | Confident | 75.3 | Confident | 131 Ų | 131 | 83.9 Ų | 83.9 | 65% | 0.645 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -69.7 | -39.8 | 174.6 | -73.2 | -66.4 | -63.7 | 0 | 0 | 111.5 | K26 D27 Y33 G34 | K26-M30 WeakPolarHBondContact O-CB 3.15Å; K26-M30 WeakPolarHBondContact O-CG 3.33Å; K26-M30 PolarHBondContact O-N 3.44Å; D27-M30 PolarHBondContact O-N 3.2Å; M30-Y33 PolarHBondContact O-N 2.85Å; M30-G34 PolarHBondContact O-N 3.41Å |
| 31 | E | 76.4 | Confident | 74.2 | Confident | 130 Ų | 130 | 83.2 Ų | 83.2 | 61% | 0.607 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 171.2 | -73.7 | -178.2 | 157 | 0 | 0 | 111.2 | D27 V28 Y33 G34 N35 | D27-E31 WeakPolarHBondContact O-CG 3.45Å; D27-E31 PolarHBondContact O-N 3Å; V28-E31 PolarHBondContact O-N 3.25Å; E31-Y33 VanDerWaalsContact C-N 3.35Å; E31-Y33 PolarHBondContact O-N 3.42Å; E31-G34 PolarHBondContact O-N 3.46Å; E31-N35 WeakPolarHBondContact O-CB 3.42Å; E31-N35 PolarHBondContact O-N 2.95Å; E31-N35 PolarHBondContact O-ND2 3.38Å |
| 32 | N | 74.1 | Confident | 72.9 | Confident | 76 Ų | 76 | 81.7 Ų | 81.7 | 41% | 0.406 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.5 | -74.5 | -24.3 | 0 | 0 | 0 | 111.9 | V28 M29 N35 L36 | V28-N32 WeakPolarHBondContact O-CB 3.42Å; V28-N32 VanDerWaalsContact O-CG 3.22Å; V28-N32 PolarHBondContact O-N 2.97Å; V28-N32 PolarHBondContact O-ND2 3.29Å; M29-N32 PolarHBondContact O-N 3.34Å; N32-N35 WeakPolarHBondContact O-CB 3.45Å; N32-N35 PolarHBondContact O-N 3.35Å; N32-L36 VanDerWaalsContact O-CG 3.28Å; N32-L36 WeakPolarHBondContact O-CG 3.29Å; N32-L36 PolarHBondContact O-N 3.05Å |
| 33 | Y | 71.4 | Confident | 71.7 | Confident | 106 Ų | 106 | 82.6 Ų | 82.6 | 42% | 0.416 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 175.4 | -174.2 | -99.2 | 0 | 0 | 0 | 111.9 | M29 M30 E31 N35 L36 V37 | M29-Y33 WeakPolarHBondContact O-CB 3.32Å; M29-Y33 PolarHBondContact O-N 2.86Å; M30-Y33 PolarHBondContact O-N 2.85Å; E31-Y33 VanDerWaalsContact C-N 3.35Å; E31-Y33 PolarHBondContact O-N 3.42Å; Y33-N35 VanDerWaalsContact C-N 3.3Å; Y33-N35 PolarHBondContact O-N 3.06Å; Y33-L36 PolarHBondContact O-N 2.92Å; Y33-V37 HydrophobicContact CD1-CG2 4.11Å; Y33-V37 HydrophobicContact CE1-CG2 3.74Å; Y33-V37 VanDerWaalsContact O-CG2 3.32Å; Y33-V37 WeakPolarHBondContact O-CG2 3.48Å; Y33-V37 PolarHBondContact O-N 3.37Å |
| 34 | G | 72.8 | Confident | 70.2 | Confident | 36 Ų | 36 | 85 Ų | 85 | 37% | 0.371 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M30 E31 V37 S38 | M30-G34 PolarHBondContact O-N 3.41Å; E31-G34 PolarHBondContact O-N 3.46Å; G34-V37 PolarHBondContact O-N 3.48Å; G34-S38 VanDerWaalsContact O-CB 3.29Å; G34-S38 WeakPolarHBondContact O-CB 3.27Å; G34-S38 PolarHBondContact O-N 3.41Å |
| 35 | N | 70.8 | Confident | 68.7 | Low | 94 Ų | 94 | 84.8 Ų | 84.8 | 50% | 0.503 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 174.8 | -68.6 | -26.8 | 0 | 0 | 0 | 111.7 | E31 N32 Y33 V37 S38 L39 | E31-N35 WeakPolarHBondContact O-CB 3.42Å; E31-N35 PolarHBondContact O-N 2.95Å; E31-N35 PolarHBondContact O-ND2 3.38Å; N32-N35 WeakPolarHBondContact O-CB 3.45Å; N32-N35 PolarHBondContact O-N 3.35Å; Y33-N35 VanDerWaalsContact C-N 3.3Å; Y33-N35 PolarHBondContact O-N 3.06Å; N35-V37 VanDerWaalsContact C-N 3.34Å; N35-V37 PolarHBondContact O-N 2.91Å; N35-S38 PolarHBondContact O-N 3.03Å; N35-L39 WeakPolarHBondContact O-CB 3.33Å; N35-L39 WeakPolarHBondContact O-CG 3.48Å; N35-L39 PolarHBondContact O-N 2.68Å |
| 36 | L | 67.4 | Low | 67 | Low | 66 Ų | 66 | 89.1 Ų | 89.1 | 35% | 0.346 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 174 | -68.9 | 172.9 | 0 | 0 | 0 | 111.2 | N32 Y33 L39 G40 L41 | N32-L36 VanDerWaalsContact O-CG 3.28Å; N32-L36 WeakPolarHBondContact O-CG 3.29Å; N32-L36 PolarHBondContact O-N 3.05Å; Y33-L36 PolarHBondContact O-N 2.92Å; L36-L39 PolarHBondContact O-N 3.29Å; L36-G40 PolarHBondContact O-N 3.04Å; L36-L41 CarbonylContact C-O 3.42Å; L36-L41 HydrophobicContact CB-CB 4.4Å; L36-L41 HydrophobicContact CD2-CD1 3.79Å; L36-L41 WeakPolarHBondContact O-CA 3.38Å; L36-L41 VanDerWaalsContact O-CB 3.32Å; L36-L41 WeakPolarHBondContact O-CB 3.49Å; L36-L41 PolarHBondContact O-N 3.22Å |
| 37 | V | 65.2 | Low | 65.3 | Low | 66 Ų | 66 | 89 Ų | 89 | 40% | 0.4 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 176 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | Y33 G34 N35 L39 G40 | Y33-V37 HydrophobicContact CD1-CG2 4.11Å; Y33-V37 HydrophobicContact CE1-CG2 3.74Å; Y33-V37 VanDerWaalsContact O-CG2 3.32Å; Y33-V37 WeakPolarHBondContact O-CG2 3.48Å; Y33-V37 PolarHBondContact O-N 3.37Å; G34-V37 PolarHBondContact O-N 3.48Å; N35-V37 VanDerWaalsContact C-N 3.34Å; N35-V37 PolarHBondContact O-N 2.91Å; V37-L39 VanDerWaalsContact C-N 3.29Å; V37-L39 PolarHBondContact O-N 3.43Å; V37-G40 WeakPolarHBondContact O-CA 3.3Å; V37-G40 PolarHBondContact O-N 3.33Å |
| 38 | S | 64.8 | Low | 63.8 | Low | 105 Ų | 105 | 88.1 Ų | 88.1 | 73% | 0.734 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.5 | -35.4 | 176.1 | -173.1 | 0 | 0 | 0 | 0 | 112.3 | G34 N35 G40 | G34-S38 VanDerWaalsContact O-CB 3.29Å; G34-S38 WeakPolarHBondContact O-CB 3.27Å; G34-S38 PolarHBondContact O-N 3.41Å; N35-S38 PolarHBondContact O-N 3.03Å; S38-G40 PolarHBondContact O-N 3.31Å |
| 39 | L | 66.4 | Low | 62.1 | Low | 116 Ų | 116 | 90.1 Ų | 90.1 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 1.4 | 172.2 | -68.9 | 170.7 | 0 | 0 | 0 | 113.3 | N35 L36 V37 L41 | N35-L39 WeakPolarHBondContact O-CB 3.33Å; N35-L39 WeakPolarHBondContact O-CG 3.48Å; N35-L39 PolarHBondContact O-N 2.68Å; L36-L39 PolarHBondContact O-N 3.29Å; V37-L39 VanDerWaalsContact C-N 3.29Å; V37-L39 PolarHBondContact O-N 3.43Å; L39-L41 VanDerWaalsContact C-N 3.27Å; L39-L41 HydrophobicContact CB-CD1 4.19Å; L39-L41 HydrophobicContact CB-CD2 4.21Å; L39-L41 HydrophobicContact CB-CG 3.79Å; L39-L41 HydrophobicContact CD1-CD1 4.46Å; L39-L41 VanDerWaalsContact O-CD2 3.29Å; L39-L41 WeakPolarHBondContact O-CD2 3.5Å; L39-L41 PolarHBondContact O-N 3.39Å |
| 40 | G | 62 | Low | 60.5 | Low | 21 Ų | 21 | 90.1 Ų | 90.1 | 22% | 0.216 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 16 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L36 V37 S38 T42 L62 | L36-G40 PolarHBondContact O-N 3.04Å; V37-G40 WeakPolarHBondContact O-CA 3.3Å; V37-G40 PolarHBondContact O-N 3.33Å; S38-G40 PolarHBondContact O-N 3.31Å; G40-T42 PolarHBondContact O-N 3.16Å; G40-L62 WeakPolarHBondContact O-CB 3.02Å; G40-L62 PolarHBondContact O-N 2.98Å |
| 41 | L | 59.5 | Low | 59.3 | Low | 42 Ų | 42 | 92.6 Ų | 92.6 | 22% | 0.22 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 95.3 | 178.4 | -34.7 | -174.8 | 0 | 0 | 0 | 107.6 | L36 L39 L61 | L36-L41 CarbonylContact C-O 3.42Å; L36-L41 HydrophobicContact CB-CB 4.4Å; L36-L41 HydrophobicContact CD2-CD1 3.79Å; L36-L41 WeakPolarHBondContact O-CA 3.38Å; L36-L41 VanDerWaalsContact O-CB 3.32Å; L36-L41 WeakPolarHBondContact O-CB 3.49Å; L36-L41 PolarHBondContact O-N 3.22Å; L39-L41 VanDerWaalsContact C-N 3.27Å; L39-L41 HydrophobicContact CB-CD1 4.19Å; L39-L41 HydrophobicContact CB-CD2 4.21Å; L39-L41 HydrophobicContact CB-CG 3.79Å; L39-L41 HydrophobicContact CD1-CD1 4.46Å; L39-L41 VanDerWaalsContact O-CD2 3.29Å; L39-L41 WeakPolarHBondContact O-CD2 3.5Å; L39-L41 PolarHBondContact O-N 3.39Å; L41-L61 HydrophobicContact CB-CD1 3.62Å; L41-L61 HydrophobicContact CB-CG 4.45Å; L41-L61 HydrophobicContact CD1-CD1 4.08Å; L41-L61 HydrophobicContact CD2-CD1 3.29Å; L41-L61 HydrophobicContact CD2-CD2 3.68Å; L41-L61 HydrophobicContact CD2-CG 3.27Å; L41-L61 HydrophobicContact CG-CD1 3.78Å; L41-L61 HydrophobicContact CG-CG 4.29Å |
| 42 | T | 53.8 | Low | 58 | Low | 43 Ų | 43 | 89.8 Ų | 89.8 | 26% | 0.264 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115 | 178 | -35.7 | 0 | 0 | 0 | 0 | 109.7 | G40 L44 | G40-T42 PolarHBondContact O-N 3.16Å; T42-L44 HydrophobicContact CG2-CD1 4Å; T42-L44 HydrophobicContact CG2-CD2 4.41Å; T42-L44 HydrophobicContact CG2-CG 3.72Å; T42-L44 PolarHBondContact O-N 3.37Å |
| 43 | L | 56.5 | Low | 56.9 | Low | 84 Ų | 84 | 94 Ų | 94 | 44% | 0.44 | 54% | 0.538 | S | S | . | . | trans | -74.5 | 73.9 | 170.6 | -62.9 | 178.8 | 0 | 0 | 0 | 109.4 | P45 L59 | L43-P45 VanDerWaalsContact O-CD 3.24Å; L43-P45 WeakPolarHBondContact O-CD 3.25Å; L43-L59 HydrophobicContact CD2-CD1 3.46Å; L43-L59 VanDerWaalsContact CD2-CD1 3.46Å; L43-L59 HydrophobicContact CD2-CD2 3.84Å; L43-L59 HydrophobicContact CD2-CG 3.61Å | ||
| 44 | L | 51.9 | Low | 56 | Low | 111 Ų | 111 | 93.1 Ų | 93.1 | 58% | 0.581 | 54% | 0.543 | S | S | * | . | trans | -91.8 | 107.8 | 171.9 | -74.8 | 167.6 | 0 | 0 | 0 | 108.9 | T42 R46 | T42-L44 HydrophobicContact CG2-CD1 4Å; T42-L44 HydrophobicContact CG2-CD2 4.41Å; T42-L44 HydrophobicContact CG2-CG 3.72Å; T42-L44 PolarHBondContact O-N 3.37Å; L44-R46 VanDerWaalsContact C-N 3.34Å; L44-R46 PolarHBondContact O-N 3.07Å | ||
| 45 | P | 50.1 | Low | 54.8 | Low | 108 Ų | 108 | 94.7 Ų | 94.7 | 70% | 0.701 | 55% | 0.553 | S | S | * | * | trans | -67.6 | 96.8 | 169.8 | 27.3 | -31.4 | 0 | 0 | 0 | 108.2 | L43 L47 | L43-P45 VanDerWaalsContact O-CD 3.24Å; L43-P45 WeakPolarHBondContact O-CD 3.25Å; P45-L47 PolarHBondContact O-N 3.37Å | ||
| 46 | R | 44.5 | Very low | 53.7 | Low | 170 Ų | 170 | 93.8 Ų | 93.8 | 64% | 0.642 | 55% | 0.553 | S | S | * | * | trans | -82.2 | 94.8 | 171.8 | -149.3 | -172.9 | -163.2 | -75.9 | 0.6 | 107.6 | L44 V48 | L44-R46 VanDerWaalsContact C-N 3.34Å; L44-R46 PolarHBondContact O-N 3.07Å; R46-V48 PolarHBondContact O-N 3.24Å; R46-V48 VanDerWaalsContact O-N 3.15Å | ||
| 47 | L | 45.7 | Very low | 52.5 | Low | 121 Ų | 121 | 95.6 Ų | 95.6 | 63% | 0.634 | 57% | 0.57 | S | S | * | * | trans | -70.1 | 108.1 | 173.5 | -153.9 | 86.8 | 0 | 0 | 0 | 108.3 | P45 A55 | P45-L47 PolarHBondContact O-N 3.37Å; L47-A55 HydrophobicContact CD1-CB 4.13Å | ||
| 48 | V | 49.5 | Very low | 51.8 | Low | 72 Ų | 72 | 95.6 Ų | 95.6 | 44% | 0.436 | 57% | 0.573 | S | S | . | * | trans | -99 | 106.7 | 169 | 177.6 | 0 | 0 | 0 | 0 | 107.1 | R46 S50 | R46-V48 PolarHBondContact O-N 3.24Å; R46-V48 VanDerWaalsContact O-N 3.15Å; V48-S50 PolarHBondContact O-N 3.03Å | ||
| 49 | C | 44.1 | Very low | 51.2 | Low | 109 Ų | 109 | 96 Ų | 96 | 74% | 0.736 | 57% | 0.566 | S | S | * | * | trans | -82.8 | 94.3 | 166.4 | -56.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 50 | S | 48 | Very low | 50.5 | Low | 85 Ų | 85 | 94.6 Ų | 94.6 | 59% | 0.594 | 56% | 0.559 | S | S | * | * | trans | -92.1 | 148.9 | 153.8 | -80.6 | 0 | 0 | 0 | 0 | 107.3 | V48 A52 | V48-S50 PolarHBondContact O-N 3.03Å; S50-A52 PolarHBondContact O-N 2.88Å | ||
| 51 | D | 51.3 | Low | 50.1 | Low | 184 Ų | 184 | 96.8 Ų | 96.8 | 98% | 0.984 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -63.8 | 27.8 | -166.6 | -58.8 | -68.2 | 0 | 0 | 0 | 116.8 | ||
| 52 | A | 48.6 | Very low | 49.6 | Very low | 71 Ų | 71 | 102.2 Ų | 102.2 | 59% | 0.587 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -124.1 | 142.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | S50 T54 | S50-A52 PolarHBondContact O-N 2.88Å; A52-T54 PolarHBondContact O-N 3.35Å |
| 53 | N | 51 | Low | 49.2 | Very low | 165 Ų | 165 | 102.3 Ų | 102.3 | 88% | 0.882 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -64.8 | 46.7 | -168.5 | -146.7 | 27.9 | 0 | 0 | 0 | 115.2 | ||
| 54 | T | 51.2 | Low | 48.8 | Very low | 86 Ų | 86 | 104 Ų | 104 | 53% | 0.528 | 61% | 0.613 | S | S | . | * | trans | -124.4 | 105 | -174.4 | -53.3 | 0 | 0 | 0 | 0 | 109.2 | A52 C56 | A52-T54 PolarHBondContact O-N 3.35Å; T54-C56 PolarHBondContact O-N 2.9Å | ||
| 55 | A | 48 | Very low | 48.9 | Very low | 70 Ų | 70 | 103.6 Ų | 103.6 | 58% | 0.579 | 62% | 0.619 | S | S | * | * | trans | -84.7 | 99.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | L47 | L47-A55 HydrophobicContact CD1-CB 4.13Š| ||
| 56 | C | 47.5 | Very low | 48.9 | Very low | 74 Ų | 74 | 105.2 Ų | 105.2 | 50% | 0.5 | 62% | 0.622 | S | S | . | * | trans | -81.8 | 116.8 | 173.2 | -68.4 | 0 | 0 | 0 | 0 | 110.2 | T54 S58 | T54-C56 PolarHBondContact O-N 2.9Å; C56-S58 PolarHBondContact O-N 2.69Å | ||
| 57 | C | 41.9 | Very low | 49.2 | Very low | 104 Ų | 104 | 105.5 Ų | 105.5 | 70% | 0.703 | 63% | 0.63 | S | S | * | * | trans | -80 | 103.2 | 166.4 | -69.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 58 | S | 50.6 | Low | 49.7 | Very low | 66 Ų | 66 | 105.2 Ų | 105.2 | 46% | 0.462 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -94.3 | 118.6 | 171.7 | -58.6 | 0 | 0 | 0 | 0 | 111 | C56 | C56-S58 PolarHBondContact O-N 2.69Š|
| 59 | L | 52.3 | Low | 49.3 | Very low | 113 Ų | 113 | 106.5 Ų | 106.5 | 59% | 0.592 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 121.2 | 167.4 | -124.2 | 91.2 | 0 | 0 | 0 | 108.7 | L43 | L43-L59 HydrophobicContact CD2-CD1 3.46Å; L43-L59 VanDerWaalsContact CD2-CD1 3.46Å; L43-L59 HydrophobicContact CD2-CD2 3.84Å; L43-L59 HydrophobicContact CD2-CG 3.61Å |
| 60 | N | 52.9 | Low | 49.6 | Very low | 87 Ų | 87 | 109.5 Ų | 109.5 | 47% | 0.465 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 118.5 | 172.3 | -72 | -79 | 0 | 0 | 0 | 109.3 | ||
| 61 | L | 53.5 | Low | 49.4 | Very low | 68 Ų | 68 | 112.9 Ų | 112.9 | 36% | 0.356 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 94 | 179.1 | -142.1 | 79 | 0 | 0 | 0 | 108.9 | L41 G63 L64 | L41-L61 HydrophobicContact CB-CD1 3.62Å; L41-L61 HydrophobicContact CB-CG 4.45Å; L41-L61 HydrophobicContact CD1-CD1 4.08Å; L41-L61 HydrophobicContact CD2-CD1 3.29Å; L41-L61 HydrophobicContact CD2-CD2 3.68Å; L41-L61 HydrophobicContact CD2-CG 3.27Å; L41-L61 HydrophobicContact CG-CD1 3.78Å; L41-L61 HydrophobicContact CG-CG 4.29Å; L61-G63 PolarHBondContact O-N 3.2Å; L61-L64 HydrophobicContact CD2-CB 4.06Å; L61-L64 HydrophobicContact CD2-CD1 3.28Å; L61-L64 HydrophobicContact CD2-CG 3.64Å; L61-L64 PolarHBondContact O-N 3.03Å |
| 62 | L | 48.2 | Very low | 49.1 | Very low | 155 Ų | 155 | 108.9 Ų | 108.9 | 81% | 0.812 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 1.7 | -174.7 | -159.1 | 70.6 | 0 | 0 | 0 | 113.1 | G40 | G40-L62 WeakPolarHBondContact O-CB 3.02Å; G40-L62 PolarHBondContact O-N 2.98Å |
| 63 | G | 45.7 | Very low | 48.8 | Very low | 45 Ų | 45 | 116 Ų | 116 | 46% | 0.464 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.6 | 1.1 | -178 | 0 | 0 | 0 | 0 | 0 | 117 | L61 | L61-G63 PolarHBondContact O-N 3.2Š|
| 64 | L | 48.7 | Very low | 48.5 | Very low | 120 Ų | 120 | 114.6 Ų | 114.6 | 63% | 0.628 | 66% | 0.656 | S | S | * | * | trans | -105.6 | 65.6 | 174.1 | -86.9 | 175.8 | 0 | 0 | 0 | 111 | L61 D66 | L61-L64 HydrophobicContact CD2-CB 4.06Å; L61-L64 HydrophobicContact CD2-CD1 3.28Å; L61-L64 HydrophobicContact CD2-CG 3.64Å; L61-L64 PolarHBondContact O-N 3.03Å; L64-D66 PolarHBondContact O-N 3.12Å | ||
| 65 | S | 52.9 | Low | 48 | Very low | 102 Ų | 102 | 115.5 Ų | 115.5 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | trans | -70.2 | 113.1 | 156.2 | 32 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 66 | D | 50.3 | Low | 47.8 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 91.8 | 39.7 | 159.8 | -66.8 | -62.2 | 0 | 0 | 0 | 122.4 | L64 | L64-D66 PolarHBondContact O-N 3.12Š|
| 67 | Q | 51.2 | Low | 47.6 | Very low | 176 Ų | 176 | 122.8 Ų | 122.8 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | trans | -141 | 53.6 | 152.4 | -140.8 | 80.8 | 76.8 | 0 | 0 | 113.2 | S69 | Q67-S69 PolarHBondContact O-N 2.85Š| ||
| 68 | S | 56 | Low | 47.7 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 81% | 0.811 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 111.5 | 166.4 | 167.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 69 | S | 42.4 | Very low | 47.3 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.2 | -12.9 | 139.4 | 32.8 | 0 | 0 | 0 | 0 | 115.3 | Q67 | Q67-S69 PolarHBondContact O-N 2.85Š|
| 70 | H | 48.4 | Very low | 46.7 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -112.7 | -0.8 | -171.3 | -131.1 | -85.4 | 0 | 0 | 0 | 116.9 | ||
| 71 | L | 44.8 | Very low | 46.1 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | trans | -118 | 42.6 | -176.8 | -64.7 | 178.1 | 0 | 0 | 0 | 113 | Y73 | L71-Y73 PolarHBondContact O-N 3.47Å; L71-Y73 VanDerWaalsContact O-N 3.09Å | ||
| 72 | S | 44.4 | Very low | 45.2 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 3.8 | 172.4 | -45.1 | 0 | 0 | 0 | 0 | 114 | ||
| 73 | Y | 43.1 | Very low | 44.6 | Very low | 221 Ų | 221 | 143.4 Ų | 143.4 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -7.6 | -168.3 | -106.7 | -80.1 | 0 | 0 | 0 | 115.6 | L71 | L71-Y73 PolarHBondContact O-N 3.47Å; L71-Y73 VanDerWaalsContact O-N 3.09Å |
| 74 | L | 44.4 | Very low | 44.2 | Very low | 135 Ų | 135 | 150 Ų | 150 | 71% | 0.707 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -114.4 | 47.2 | -168.8 | -143 | 81.7 | 0 | 0 | 0 | 114.1 | ||
| 75 | S | 41.1 | Very low | 43.8 | Very low | 104 Ų | 104 | 159.1 Ų | 159.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -140 | 19.6 | -178.4 | 64.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 76 | S | 42.5 | Very low | 43.3 | Very low | 100 Ų | 100 | 162 Ų | 162 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -132.8 | 65.7 | 176.6 | -165.2 | 0 | 0 | 0 | 0 | 112.2 | D78 | S76-D78 VanDerWaalsContact C-N 3.34Å; S76-D78 PolarHBondContact O-N 2.8Å | ||
| 77 | W | 43.7 | Very low | 42.9 | Very low | 197 Ų | 197 | 163.1 Ų | 163.1 | 75% | 0.746 | 80% | 0.796 | S | S | * | * | trans | -84.2 | 87.1 | 159.7 | -62.8 | 102.3 | 0 | 0 | 0 | 107.8 | Y79 | W77-Y79 HydrophobicContact CB-CD2 4.35Å; W77-Y79 HydrophobicContact CB-CE2 4.03Å; W77-Y79 PolarHBondContact O-N 3.26Å; W77-Y79 VanDerWaalsContact O-N 3.11Å | ||
| 78 | D | 45 | Very low | 42.5 | Very low | 120 Ų | 120 | 162.3 Ų | 162.3 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | trans | -80 | 86.2 | 177.4 | -147.2 | -31 | 0 | 0 | 0 | 108.2 | S76 R80 | S76-D78 VanDerWaalsContact C-N 3.34Å; S76-D78 PolarHBondContact O-N 2.8Å; D78-R80 VanDerWaalsContact C-N 3.33Å; D78-R80 PolarHBondContact O-N 3.44Å | ||
| 79 | Y | 41.5 | Very low | 41.7 | Very low | 196 Ų | 196 | 165.1 Ų | 165.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -70.3 | 94.1 | 171.2 | -74.5 | -82.9 | 0 | 0 | 0 | 108.1 | W77 C81 | W77-Y79 HydrophobicContact CB-CD2 4.35Å; W77-Y79 HydrophobicContact CB-CE2 4.03Å; W77-Y79 PolarHBondContact O-N 3.26Å; W77-Y79 VanDerWaalsContact O-N 3.11Å; Y79-C81 PolarHBondContact O-N 3.31Å | ||
| 80 | R | 39.6 | Very low | 41.6 | Very low | 223 Ų | 223 | 169.3 Ų | 169.3 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | -64.9 | 98.1 | 167.6 | -64.9 | -160.5 | -59.2 | -88.5 | 0.4 | 108.8 | D78 F82 | D78-R80 VanDerWaalsContact C-N 3.33Å; D78-R80 PolarHBondContact O-N 3.44Å; R80-F82 PolarHBondContact O-N 3.31Å | ||
| 81 | C | 40.2 | Very low | 41.2 | Very low | 115 Ų | 115 | 169.1 Ų | 169.1 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -58.2 | 129.2 | 162.7 | -86 | 0 | 0 | 0 | 0 | 108.4 | Y79 E83 | Y79-C81 PolarHBondContact O-N 3.31Å; C81-E83 PolarHBondContact O-N 3.15Å | ||
| 82 | F | 35 | Very low | 40.9 | Very low | 206 Ų | 206 | 169.9 Ų | 169.9 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -50.2 | 111 | 173 | -119.2 | -97.8 | 0 | 0 | 0 | 108.8 | R80 Q84 | R80-F82 PolarHBondContact O-N 3.31Å; F82-Q84 PolarHBondContact O-N 3.29Å | ||
| 83 | E | 34.8 | Very low | 40.6 | Very low | 166 Ų | 166 | 175.3 Ų | 175.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -57.3 | 121.9 | 169.3 | -90 | -77.9 | 131.1 | 0 | 0 | 108.3 | C81 | C81-E83 PolarHBondContact O-N 3.15Š| ||
| 84 | Q | 38.5 | Very low | 40.4 | Very low | 184 Ų | 184 | 171.5 Ų | 171.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -57.8 | 125.9 | 172.9 | -175.1 | 154.6 | 56.9 | 0 | 0 | 109.9 | F82 | F82-Q84 PolarHBondContact O-N 3.29Š| ||
| 85 | R | 39 | Very low | 40.1 | Very low | 312 Ų | 312 | 174.8 Ų | 174.8 | 100% | 1.177 | 81% | 0.811 | S | S | * | * | trans | -119.4 | 0 | 155.2 | -166.7 | 178.9 | -156.2 | 178.5 | 8.1 | 109.4 |
Retrieved 85 of 85 residues in 159.6 ms
(Link to these results)