| 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 | 29.7 | Very low | 54.7 | Low | 240 Ų | 240 | 80.7 Ų | 80.7 | 100% | 1.182 | 47% | 0.47 | S | S | * | . | 0 | -47.4 | 0 | -69.5 | -177.5 | 81.7 | 0 | 0 | 112.2 | |||||
| 2 | C | 27.8 | Very low | 57.4 | Low | 136 Ų | 136 | 79.3 Ų | 79.3 | 92% | 0.919 | 49% | 0.486 | S | S | * | . | trans | -102.2 | 92.5 | 171.2 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | A | 32.2 | Very low | 59.7 | Low | 84 Ų | 84 | 74.6 Ų | 74.6 | 69% | 0.694 | 46% | 0.456 | S | S | * | . | trans | -164.5 | 35.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 4 | I | 46.2 | Very low | 61.4 | Low | 88 Ų | 88 | 75.6 Ų | 75.6 | 45% | 0.451 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -116.9 | 150.3 | 170.9 | -62.2 | 175.5 | 0 | 0 | 0 | 106.3 | R22 | I4-R22 HydrophobicContact CD1-CG 4.32Š|
| 5 | S | 49.5 | Very low | 62.8 | Low | 35 Ų | 35 | 73.6 Ų | 73.6 | 25% | 0.245 | 47% | 0.468 | C | S | . | . | trans | -44.1 | 140.4 | -156 | 83.8 | 0 | 0 | 0 | 0 | 115.3 | S7 Y8 | S5-S7 VanDerWaalsContact CB-OG 3.32Å; S5-S7 WeakPolarHBondContact CB-OG 3.48Å; S5-S7 PolarHBondContact O-N 3.27Å; S5-S7 PolarHBondContact OG-OG 3.45Å; S5-Y8 PolarHBondContact O-N 3.47Å; S5-Y8 WeakPolarHBondContact OG-CE1 3.13Å | ||
| 6 | D | 50.7 | Low | 63.8 | Low | 129 Ų | 129 | 73.8 Ų | 73.8 | 69% | 0.69 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 32.3 | -179.4 | -66.6 | -47.4 | 0 | 0 | 0 | 114.4 | R73 | D6-R73 WeakPolarHBondContact O-CB 3.25Š|
| 7 | S | 60.3 | Low | 65.1 | Low | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.014 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | -31.4 | -160.3 | -7.4 | 0 | 0 | 0 | 0 | 111.8 | S5 L76 | S5-S7 VanDerWaalsContact CB-OG 3.32Å; S5-S7 WeakPolarHBondContact CB-OG 3.48Å; S5-S7 PolarHBondContact O-N 3.27Å; S5-S7 PolarHBondContact OG-OG 3.45Å; S7-L76 PolarHBondContact O-N 3.5Å |
| 8 | Y | 68.2 | Low | 66.2 | Low | 29 Ų | 29 | 70.6 Ų | 70.6 | 11% | 0.114 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 155.8 | 175.2 | 63 | -93.7 | 0 | 0 | 0 | 113.7 | S5 L25 F39 L76 | S5-Y8 PolarHBondContact O-N 3.47Å; S5-Y8 WeakPolarHBondContact OG-CE1 3.13Å; Y8-L25 HydrophobicContact CD2-CD1 4.44Å; Y8-L25 HydrophobicContact CE2-CB 3.89Å; Y8-L25 HydrophobicContact CE2-CD1 4.16Å; Y8-L25 HydrophobicContact CE2-CG 4.49Å; Y8-L25 PolarHBondContact OH-O 3.31Å; Y8-F39 HydrophobicContact CD1-CE2 4.39Å; Y8-F39 AromaticContact CD1-CZ 3.67Å; Y8-F39 HydrophobicContact CD1-CZ 3.67Å; Y8-F39 HydrophobicContact CE1-CZ 4.44Å; Y8-F39 HydrophobicContact CG-CZ 4.17Å; Y8-L76 CarbonylContact C-O 3.56Å; Y8-L76 WeakPolarHBondContact CA-O 3.43Å |
| 9 | A | 73 | Confident | 66.8 | Low | 35 Ų | 35 | 73.1 Ų | 73.1 | 29% | 0.289 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 149.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V75 L76 I77 A78 | A9-V75 HydrophobicContact CB-CG1 4.16Å; A9-L76 PolarHBondContact N-O 3.3Å; A9-I77 HydrophobicContact CB-CG1 4.42Å; A9-I77 WeakPolarHBondContact O-CA 3.26Å; A9-A78 PolarHBondContact O-N 3.22Å |
| 10 | V | 79.6 | Confident | 67.6 | Low | 41 Ų | 41 | 69.5 Ų | 69.5 | 25% | 0.248 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.3 | 172.8 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | L13 V21 L25 I47 A78 V80 | V10-L13 HydrophobicContact CG1-CB 4.48Å; V10-L13 HydrophobicContact CG1-CD1 3.94Å; V10-L13 HydrophobicContact CG1-CG 4.02Å; V10-V21 HydrophobicContact CG2-CG1 4.36Å; V10-L25 HydrophobicContact CG2-CD1 3.54Å; V10-I47 HydrophobicContact CG2-CD1 4.5Å; V10-A78 WeakPolarHBondContact CA-O 3.41Å; V10-V80 HydrophobicContact CG1-CB 4.43Å; V10-V80 HydrophobicContact CG1-CG2 3.83Å |
| 11 | E | 85 | Confident | 68.4 | Low | 69 Ų | 69 | 66.3 Ų | 66.3 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 138.7 | 176.7 | -67.4 | 177.4 | 176.2 | 0 | 0 | 108.3 | R66 I77 A78 K79 V80 | E11-R66 IonicContact OE1-CZ 3.09Å; E11-R66 IonicContact OE1-NH1 3.77Å; E11-R66 IonicContact OE1-NH2 2.7Å; E11-R66 PolarHBondContact OE1-NH2 3.28Å; E11-I77 HydrophobicContact CB-CG2 4.48Å; E11-I77 HydrophobicContact CG-CG2 3.86Å; E11-A78 PolarHBondContact N-O 2.56Å; E11-K79 HydrophobicContact CB-CG 4.22Å; E11-K79 CarbonylContact O-C 3.18Å; E11-K79 WeakPolarHBondContact O-CA 3.38Å; E11-V80 PolarHBondContact O-N 2.64Å |
| 12 | G | 86.8 | Confident | 70.7 | Confident | 64 Ų | 64 | 60.4 Ų | 60.4 | 66% | 0.66 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 102.7 | -16.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | V80 | G12-V80 CarbonylContact C-O 3.54Š|
| 13 | L | 87.2 | Confident | 72.8 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 9% | 0.094 | 32% | 0.319 | C | S | . | . | trans | -88 | 158.8 | 169.9 | -59.1 | -173.8 | 0 | 0 | 0 | 112.1 | V10 L17 E18 V21 L51 V80 P82 | V10-L13 HydrophobicContact CG1-CB 4.48Å; V10-L13 HydrophobicContact CG1-CD1 3.94Å; V10-L13 HydrophobicContact CG1-CG 4.02Å; L13-L17 HydrophobicContact CD2-CB 4.45Å; L13-E18 HydrophobicContact CB-CB 3.92Å; L13-E18 HydrophobicContact CB-CG 4.26Å; L13-V21 HydrophobicContact CD1-CB 3.76Å; L13-V21 HydrophobicContact CD1-CG1 3.87Å; L13-V21 HydrophobicContact CD1-CG2 3.64Å; L13-L51 HydrophobicContact CD1-CD2 4.32Å; L13-L51 HydrophobicContact CD2-CD1 4.44Å; L13-L51 HydrophobicContact CD2-CD2 4.15Å; L13-V80 HydrophobicContact CD1-CG1 4.38Å; L13-V80 HydrophobicContact CD2-CB 4.09Å; L13-V80 HydrophobicContact CD2-CG1 3.72Å; L13-V80 HydrophobicContact CG-CB 4.07Å; L13-V80 HydrophobicContact CG-CG1 4.12Å; L13-P82 HydrophobicContact CD2-CG 3.71Å | ||
| 14 | S | 83.2 | Confident | 74.9 | Confident | 88 Ų | 88 | 52.8 Ų | 52.8 | 62% | 0.615 | 30% | 0.299 | S | S | * | . | trans | -151.3 | 168.9 | 167.5 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | L17 E18 | S14-L17 PolarHBondContact O-N 3.19Å; S14-E18 PolarHBondContact O-N 3.41Å | ||
| 15 | G | 83.3 | Confident | 76.3 | Confident | 46 Ų | 46 | 48.7 Ų | 48.7 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | 63.4 | -137 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L17 E18 K19 | G15-L17 VanDerWaalsContact C-N 3.33Å; G15-L17 PolarHBondContact O-N 2.65Å; G15-E18 PolarHBondContact O-N 3.49Å; G15-K19 WeakPolarHBondContact O-CG 3.13Å; G15-K19 PolarHBondContact O-N 2.82Å |
| 16 | Q | 78 | Confident | 77.1 | Confident | 77 Ų | 77 | 49.8 Ų | 49.8 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.3 | -30.7 | -176.4 | -171.2 | 58.7 | 16.6 | 0 | 0 | 112.9 | K19 N20 L54 S1539 | Q16-K19 PolarHBondContact O-N 3.27Å; Q16-N20 WeakPolarHBondContact O-CB 3.27Å; Q16-N20 PolarHBondContact O-N 3.08Å; Q16-L54 HydrophobicContact CG-CD1 3.93Å; Q16-S1539 PolarHBondContact NE2-O 2.67Å |
| 17 | L | 86.4 | Confident | 77.8 | Confident | 25 Ų | 25 | 45.8 Ų | 45.8 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 174.6 | -57.3 | -179.5 | 0 | 0 | 0 | 111.2 | L13 S14 G15 N20 V21 L51 L54 Y56 P82 | L13-L17 HydrophobicContact CD2-CB 4.45Å; S14-L17 PolarHBondContact O-N 3.19Å; G15-L17 VanDerWaalsContact C-N 3.33Å; G15-L17 PolarHBondContact O-N 2.65Å; L17-N20 PolarHBondContact O-N 3.18Å; L17-V21 WeakPolarHBondContact O-CB 3.25Å; L17-V21 WeakPolarHBondContact O-CG2 3.37Å; L17-V21 PolarHBondContact O-N 3.37Å; L17-L51 HydrophobicContact CB-CD2 3.91Å; L17-L51 HydrophobicContact CD1-CD2 4.27Å; L17-L51 HydrophobicContact CD2-CD2 3.91Å; L17-L51 HydrophobicContact CG-CD2 4.24Å; L17-L54 HydrophobicContact CD2-CB 3.78Å; L17-L54 HydrophobicContact CD2-CD1 3.84Å; L17-L54 HydrophobicContact CD2-CG 4.49Å; L17-Y56 HydrophobicContact CD1-CD2 4.09Å; L17-Y56 HydrophobicContact CD1-CE1 4.35Å; L17-Y56 HydrophobicContact CD1-CE2 3.77Å; L17-Y56 HydrophobicContact CD2-CD2 3.5Å; L17-Y56 HydrophobicContact CD2-CE2 3.52Å; L17-Y56 HydrophobicContact CD2-CG 4.47Å; L17-Y56 HydrophobicContact CG-CD2 4.45Å; L17-Y56 HydrophobicContact CG-CE2 4.21Å; L17-P82 HydrophobicContact CD1-CB 4.14Å; L17-P82 HydrophobicContact CD1-CG 3.93Å |
| 18 | E | 84.4 | Confident | 77.9 | Confident | 65 Ų | 65 | 45.9 Ų | 45.9 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 176.7 | -166.3 | -161.7 | 166.6 | 0 | 0 | 111.5 | L13 S14 G15 R22 | L13-E18 HydrophobicContact CB-CB 3.92Å; L13-E18 HydrophobicContact CB-CG 4.26Å; S14-E18 PolarHBondContact O-N 3.41Å; G15-E18 PolarHBondContact O-N 3.49Å; E18-R22 WeakPolarHBondContact O-CB 3.26Å; E18-R22 PolarHBondContact O-N 2.92Å; E18-R22 IonicContact OE1-CZ 3.99Å; E18-R22 IonicContact OE1-NH2 3.57Å; E18-R22 PolarHBondContact OE1-NH2 3.29Å |
| 19 | K | 77.2 | Confident | 77.2 | Confident | 118 Ų | 118 | 48.9 Ų | 48.9 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 175 | -75.9 | 178.7 | 176.1 | -175.8 | 0 | 112.1 | G15 Q16 R22 A23 | G15-K19 WeakPolarHBondContact O-CG 3.13Å; G15-K19 PolarHBondContact O-N 2.82Å; Q16-K19 PolarHBondContact O-N 3.27Å; K19-R22 PolarHBondContact O-N 2.98Å; K19-A23 WeakPolarHBondContact O-CB 3.15Å; K19-A23 PolarHBondContact O-N 3.29Å |
| 20 | N | 83.8 | Confident | 76.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.1 | -44.6 | -174.3 | -162.3 | 42.2 | 0 | 0 | 0 | 112.3 | Q16 L17 R22 A23 Q24 G50 L54 A1540 V1541 | Q16-N20 WeakPolarHBondContact O-CB 3.27Å; Q16-N20 PolarHBondContact O-N 3.08Å; L17-N20 PolarHBondContact O-N 3.18Å; N20-R22 VanDerWaalsContact C-N 3.27Å; N20-R22 PolarHBondContact O-N 2.7Å; N20-A23 WeakPolarHBondContact O-CB 3.4Å; N20-A23 PolarHBondContact O-N 3.46Å; N20-A23 VanDerWaalsContact O-N 3.13Å; N20-Q24 PolarHBondContact O-N 3.34Å; N20-G50 PolarHBondContact ND2-O 3.02Å; N20-L54 HydrophobicContact CB-CD1 3.55Å; N20-L54 HydrophobicContact CB-CG 4.46Å; N20-A1540 WeakPolarHBondContact OD1-CA 3.42Å; N20-V1541 PolarHBondContact ND2-O 3.14Å; N20-V1541 PolarHBondContact OD1-N 2.9Å; N20-V1541 PolarHBondContact OD1-O 2.76Å |
| 21 | V | 84.1 | Confident | 75 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.1 | -39.1 | 172.3 | 166.5 | 0 | 0 | 0 | 0 | 111.1 | V10 L13 L17 Q24 L25 I47 L51 | V10-V21 HydrophobicContact CG2-CG1 4.36Å; L13-V21 HydrophobicContact CD1-CB 3.76Å; L13-V21 HydrophobicContact CD1-CG1 3.87Å; L13-V21 HydrophobicContact CD1-CG2 3.64Å; L17-V21 WeakPolarHBondContact O-CB 3.25Å; L17-V21 WeakPolarHBondContact O-CG2 3.37Å; L17-V21 PolarHBondContact O-N 3.37Å; V21-Q24 PolarHBondContact O-N 2.7Å; V21-L25 HydrophobicContact CG1-CD1 3.74Å; V21-L25 HydrophobicContact CG1-CG 4.34Å; V21-L25 VanDerWaalsContact O-CB 3.31Å; V21-L25 WeakPolarHBondContact O-CB 3.25Å; V21-L25 WeakPolarHBondContact O-CG 2.89Å; V21-L25 PolarHBondContact O-N 2.74Å; V21-I47 HydrophobicContact CG1-CB 4.19Å; V21-I47 HydrophobicContact CG1-CG1 3.66Å; V21-I47 HydrophobicContact CG1-CG2 4.27Å; V21-I47 HydrophobicContact CG2-CG2 4.41Å; V21-L51 HydrophobicContact CG2-CD2 4Å; V21-L51 HydrophobicContact CG2-CG 3.77Å |
| 22 | R | 79 | Confident | 73.3 | Confident | 117 Ų | 117 | 54.3 Ų | 54.3 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 174.3 | -174.9 | -171.6 | -66.7 | -170.5 | -0.6 | 112.5 | I4 E18 K19 N20 S26 | I4-R22 HydrophobicContact CD1-CG 4.32Å; E18-R22 WeakPolarHBondContact O-CB 3.26Å; E18-R22 PolarHBondContact O-N 2.92Å; E18-R22 IonicContact OE1-CZ 3.99Å; E18-R22 IonicContact OE1-NH2 3.57Å; E18-R22 PolarHBondContact OE1-NH2 3.29Å; K19-R22 PolarHBondContact O-N 2.98Å; N20-R22 VanDerWaalsContact C-N 3.27Å; N20-R22 PolarHBondContact O-N 2.7Å; R22-S26 WeakPolarHBondContact O-CB 3.48Å; R22-S26 PolarHBondContact O-N 3.49Å |
| 23 | A | 70.6 | Confident | 71.7 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | K19 N20 L25 S26 P1537 A1540 | K19-A23 WeakPolarHBondContact O-CB 3.15Å; K19-A23 PolarHBondContact O-N 3.29Å; N20-A23 WeakPolarHBondContact O-CB 3.4Å; N20-A23 PolarHBondContact O-N 3.46Å; N20-A23 VanDerWaalsContact O-N 3.13Å; A23-L25 PolarHBondContact O-N 2.72Å; A23-S26 WeakPolarHBondContact O-CB 3.35Å; A23-S26 PolarHBondContact O-N 2.77Å; A23-S26 VanDerWaalsContact O-N 3.08Å; A23-S26 PolarHBondContact O-OG 2.68Å; A23-P1537 HydrophobicContact CB-CG 4.01Å; A23-A1540 HydrophobicContact CB-CB 3.77Å |
| 24 | Q | 76.2 | Confident | 70.1 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 177.5 | -159.8 | 68.2 | -2.1 | 0 | 0 | 111.9 | N20 V21 S26 T27 A46 | N20-Q24 PolarHBondContact O-N 3.34Å; V21-Q24 PolarHBondContact O-N 2.7Å; Q24-S26 VanDerWaalsContact C-N 3.32Å; Q24-S26 PolarHBondContact O-N 3.09Å; Q24-T27 WeakPolarHBondContact O-CB 3.43Å; Q24-T27 PolarHBondContact O-N 3.36Å; Q24-T27 PolarHBondContact O-OG1 2.79Å; Q24-A46 HydrophobicContact CB-CB 4.31Å; Q24-A46 HydrophobicContact CG-CB 3.82Å; Q24-A46 WeakPolarHBondContact CG-O 3.32Å |
| 25 | L | 75.6 | Confident | 68.6 | Low | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68 | -26.8 | 174.1 | -71.2 | 170.3 | 0 | 0 | 0 | 113.6 | Y8 V10 V21 A23 T27 I28 V43 A46 I47 | Y8-L25 HydrophobicContact CD2-CD1 4.44Å; Y8-L25 HydrophobicContact CE2-CB 3.89Å; Y8-L25 HydrophobicContact CE2-CD1 4.16Å; Y8-L25 HydrophobicContact CE2-CG 4.49Å; Y8-L25 PolarHBondContact OH-O 3.31Å; V10-L25 HydrophobicContact CG2-CD1 3.54Å; V21-L25 HydrophobicContact CG1-CD1 3.74Å; V21-L25 HydrophobicContact CG1-CG 4.34Å; V21-L25 VanDerWaalsContact O-CB 3.31Å; V21-L25 WeakPolarHBondContact O-CB 3.25Å; V21-L25 WeakPolarHBondContact O-CG 2.89Å; V21-L25 PolarHBondContact O-N 2.74Å; A23-L25 PolarHBondContact O-N 2.72Å; L25-T27 PolarHBondContact O-N 3.1Å; L25-I28 HydrophobicContact CD2-CD1 3.94Å; L25-I28 WeakPolarHBondContact O-CB 3.45Å; L25-I28 PolarHBondContact O-N 3.2Å; L25-V43 HydrophobicContact CD2-CB 4.07Å; L25-V43 HydrophobicContact CD2-CG1 3.83Å; L25-V43 HydrophobicContact CD2-CG2 3.94Å; L25-A46 HydrophobicContact CD2-CB 3.69Å; L25-A46 HydrophobicContact CG-CB 4.19Å; L25-I47 HydrophobicContact CD1-CG1 4.15Å; L25-I47 HydrophobicContact CD2-CG1 4.46Å |
| 26 | S | 66.6 | Low | 67.4 | Low | 59 Ų | 59 | 52.3 Ų | 52.3 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.2 | -14.3 | 177.1 | 76.2 | 0 | 0 | 0 | 0 | 113.7 | R22 A23 Q24 I28 | R22-S26 WeakPolarHBondContact O-CB 3.48Å; R22-S26 PolarHBondContact O-N 3.49Å; A23-S26 WeakPolarHBondContact O-CB 3.35Å; A23-S26 PolarHBondContact O-N 2.77Å; A23-S26 VanDerWaalsContact O-N 3.08Å; A23-S26 PolarHBondContact O-OG 2.68Å; Q24-S26 VanDerWaalsContact C-N 3.32Å; Q24-S26 PolarHBondContact O-N 3.09Å; S26-I28 PolarHBondContact O-N 3.48Å |
| 27 | T | 64.4 | Low | 66.2 | Low | 44 Ų | 44 | 58.1 Ų | 58.1 | 27% | 0.27 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -10.1 | 169.3 | 72.1 | 0 | 0 | 0 | 0 | 113.4 | Q24 L25 L1536 | Q24-T27 WeakPolarHBondContact O-CB 3.43Å; Q24-T27 PolarHBondContact O-N 3.36Å; Q24-T27 PolarHBondContact O-OG1 2.79Å; L25-T27 PolarHBondContact O-N 3.1Å; T27-L1536 HydrophobicContact CG2-CD2 4.45Å |
| 28 | I | 64 | Low | 64.6 | Low | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -99.4 | 110.6 | 178.4 | -45.3 | 175 | 0 | 0 | 0 | 108.9 | L25 S26 F39 R42 V43 A46 | L25-I28 HydrophobicContact CD2-CD1 3.94Å; L25-I28 WeakPolarHBondContact O-CB 3.45Å; L25-I28 PolarHBondContact O-N 3.2Å; S26-I28 PolarHBondContact O-N 3.48Å; I28-F39 HydrophobicContact CG2-CD2 4.09Å; I28-F39 HydrophobicContact CG2-CE2 3.76Å; I28-R42 HydrophobicContact CD1-CB 4.28Å; I28-R42 HydrophobicContact CD1-CG 3.82Å; I28-R42 HydrophobicContact CG1-CG 4.15Å; I28-V43 HydrophobicContact CD1-CG2 3.95Å; I28-A46 HydrophobicContact CD1-CB 4.32Å |
| 29 | E | 53.5 | Low | 63.7 | Low | 91 Ų | 91 | 56.7 Ų | 56.7 | 43% | 0.425 | 28% | 0.28 | S | S | . | . | trans | -68 | 153.6 | -176.4 | -71.6 | -157.1 | -126.8 | 0 | 0 | 113.2 | D31 V33 | E29-D31 VanDerWaalsContact C-N 3.33Å; E29-D31 WeakPolarHBondContact CB-OD1 3.35Å; E29-D31 PolarHBondContact O-N 3.09Å; E29-V33 WeakPolarHBondContact O-CG2 3.23Å | ||
| 30 | S | 53.1 | Low | 63.2 | Low | 60 Ų | 60 | 54.7 Ų | 54.7 | 42% | 0.42 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -76.4 | -15.9 | -171.6 | 72.9 | 0 | 0 | 0 | 0 | 114.3 | R73 | S30-R73 PolarHBondContact O-NH1 2.71Š|
| 31 | D | 51.6 | Low | 62.2 | Low | 117 Ų | 117 | 56.4 Ų | 56.4 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -88.1 | -27.2 | 177.3 | 65.4 | -25.2 | 0 | 0 | 0 | 113.1 | E29 V33 | E29-D31 VanDerWaalsContact C-N 3.33Å; E29-D31 WeakPolarHBondContact CB-OD1 3.35Å; E29-D31 PolarHBondContact O-N 3.09Å; D31-V33 PolarHBondContact O-N 2.87Å |
| 32 | E | 50.5 | Low | 61.5 | Low | 83 Ų | 83 | 59.5 Ų | 59.5 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -60.2 | -19 | 166.7 | -73 | -164.5 | 162.9 | 0 | 0 | 113.4 | T34 R42 | E32-T34 VanDerWaalsContact C-N 3.33Å; E32-T34 PolarHBondContact O-N 3.27Å; E32-R42 IonicContact OE1-NH1 2.76Å; E32-R42 PolarHBondContact OE1-NH1 2.91Å; E32-R42 IonicContact OE2-CZ 3.26Å; E32-R42 IonicContact OE2-NH1 2.74Å; E32-R42 PolarHBondContact OE2-NH1 2.9Å |
| 33 | V | 52.4 | Low | 61.4 | Low | 21 Ų | 21 | 54 Ų | 54 | 13% | 0.127 | 28% | 0.275 | C | S | . | . | trans | -72.4 | 85.1 | -170.4 | -168.3 | 0 | 0 | 0 | 0 | 112.9 | E29 D31 F39 | E29-V33 WeakPolarHBondContact O-CG2 3.23Å; D31-V33 PolarHBondContact O-N 2.87Å; V33-F39 HydrophobicContact CB-CD2 4.38Å; V33-F39 HydrophobicContact CB-CE2 4.11Å; V33-F39 HydrophobicContact CB-CZ 4.23Å; V33-F39 HydrophobicContact CG1-CD1 3.84Å; V33-F39 HydrophobicContact CG1-CD2 4.13Å; V33-F39 HydrophobicContact CG1-CE1 3.49Å; V33-F39 VanDerWaalsContact CG1-CE1 3.49Å; V33-F39 HydrophobicContact CG1-CE2 3.82Å; V33-F39 HydrophobicContact CG1-CG 4.16Å; V33-F39 HydrophobicContact CG1-CZ 3.5Å; V33-F39 HydrophobicContact CG2-CD2 4.14Å; V33-F39 HydrophobicContact CG2-CE2 3.52Å; V33-F39 HydrophobicContact CG2-CZ 3.82Å | ||
| 34 | T | 54.4 | Low | 61.9 | Low | 71 Ų | 71 | 55.4 Ų | 55.4 | 44% | 0.436 | 28% | 0.282 | S | S | . | . | trans | -94.8 | 144.5 | 156.4 | 65.4 | 0 | 0 | 0 | 0 | 109.5 | E32 D36 F39 | E32-T34 VanDerWaalsContact C-N 3.33Å; E32-T34 PolarHBondContact O-N 3.27Å; T34-D36 PolarHBondContact O-N 2.85Å; T34-F39 WeakPolarHBondContact O-CB 3.48Å | ||
| 35 | P | 51.9 | Low | 61.8 | Low | 59 Ų | 59 | 57 Ų | 57 | 38% | 0.383 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -79.2 | 60 | -177.2 | 33.1 | -36.6 | 0 | 0 | 0 | 111.3 | L65 Q74 | P35-L65 HydrophobicContact CB-CD1 4.29Å; P35-L65 HydrophobicContact CB-CD2 3.9Å; P35-Q74 HydrophobicContact CB-CB 4.38Å; P35-Q74 HydrophobicContact CG-CB 4.49Å |
| 36 | D | 56.9 | Low | 62 | Low | 23 Ų | 23 | 57.4 Ų | 57.4 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -121.2 | -173.1 | -170.5 | 91.3 | -2.9 | 0 | 0 | 0 | 114.8 | T34 R38 F39 R40 R1398 | T34-D36 PolarHBondContact O-N 2.85Å; D36-R38 WeakPolarHBondContact OD1-CA 3.41Å; D36-R38 WeakPolarHBondContact OD1-CB 3.25Å; D36-R38 PolarHBondContact OD1-N 2.77Å; D36-F39 PolarHBondContact OD1-N 3.25Å; D36-R40 VanDerWaalsContact O-CB 3.25Å; D36-R40 WeakPolarHBondContact O-CB 3.45Å; D36-R40 WeakPolarHBondContact O-CD 3.46Å; D36-R40 WeakPolarHBondContact O-CG 3.49Å; D36-R40 PolarHBondContact O-N 2.87Å; D36-R1398 VanDerWaalsContact CB-NH1 3.3Å; D36-R1398 WeakPolarHBondContact OD2-CD 3.39Å; D36-R1398 IonicContact OD2-CZ 2.7Å; D36-R1398 IonicContact OD2-NE 3.52Å; D36-R1398 IonicContact OD2-NH1 2.68Å; D36-R1398 PolarHBondContact OD2-NH1 3.48Å |
| 37 | R | 53.8 | Low | 62.9 | Low | 199 Ų | 199 | 54.6 Ų | 54.6 | 75% | 0.751 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -73.6 | -30.9 | -179.9 | -80.1 | -170.6 | 175.2 | -173.3 | -4.3 | 114.2 | A41 | R37-A41 VanDerWaalsContact O-CB 3.23Å; R37-A41 WeakPolarHBondContact O-CB 3.47Å; R37-A41 PolarHBondContact O-N 2.85Å |
| 38 | R | 53.3 | Low | 64 | Low | 53 Ų | 53 | 55.9 Ų | 55.9 | 20% | 0.2 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.8 | -49.2 | 176.1 | -159.7 | -145.4 | -161.4 | 122.8 | -8.7 | 109.2 | D36 A41 R42 T1397 R1398 G1399 N1435 | D36-R38 WeakPolarHBondContact OD1-CA 3.41Å; D36-R38 WeakPolarHBondContact OD1-CB 3.25Å; D36-R38 PolarHBondContact OD1-N 2.77Å; R38-A41 PolarHBondContact O-N 2.92Å; R38-R42 WeakPolarHBondContact O-CB 3.37Å; R38-R42 PolarHBondContact O-N 2.8Å; R38-T1397 WeakPolarHBondContact CG-OG1 3.37Å; R38-R1398 HydrophobicContact CB-CB 3.73Å; R38-R1398 WeakPolarHBondContact CB-O 3.32Å; R38-R1398 VanDerWaalsContact CD-O 3.24Å; R38-R1398 WeakPolarHBondContact CD-O 3.42Å; R38-R1398 WeakPolarHBondContact CG-O 3.47Å; R38-R1398 PolarHBondContact NH1-O 3.33Å; R38-G1399 PolarHBondContact NH1-O 3.01Å; R38-N1435 PolarHBondContact NH2-OD1 2.89Å |
| 39 | F | 64.1 | Low | 64.9 | Low | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.2 | -45.3 | -179.6 | -177 | -105.1 | 0 | 0 | 0 | 111.5 | Y8 I28 V33 T34 D36 A41 R42 V43 L76 | Y8-F39 HydrophobicContact CD1-CE2 4.39Å; Y8-F39 AromaticContact CD1-CZ 3.67Å; Y8-F39 HydrophobicContact CD1-CZ 3.67Å; Y8-F39 HydrophobicContact CE1-CZ 4.44Å; Y8-F39 HydrophobicContact CG-CZ 4.17Å; I28-F39 HydrophobicContact CG2-CD2 4.09Å; I28-F39 HydrophobicContact CG2-CE2 3.76Å; V33-F39 HydrophobicContact CB-CD2 4.38Å; V33-F39 HydrophobicContact CB-CE2 4.11Å; V33-F39 HydrophobicContact CB-CZ 4.23Å; V33-F39 HydrophobicContact CG1-CD1 3.84Å; V33-F39 HydrophobicContact CG1-CD2 4.13Å; V33-F39 HydrophobicContact CG1-CE1 3.49Å; V33-F39 VanDerWaalsContact CG1-CE1 3.49Å; V33-F39 HydrophobicContact CG1-CE2 3.82Å; V33-F39 HydrophobicContact CG1-CG 4.16Å; V33-F39 HydrophobicContact CG1-CZ 3.5Å; V33-F39 HydrophobicContact CG2-CD2 4.14Å; V33-F39 HydrophobicContact CG2-CE2 3.52Å; V33-F39 HydrophobicContact CG2-CZ 3.82Å; T34-F39 WeakPolarHBondContact O-CB 3.48Å; D36-F39 PolarHBondContact OD1-N 3.25Å; F39-A41 PolarHBondContact O-N 3.44Å; F39-R42 PolarHBondContact O-N 3.47Å; F39-V43 HydrophobicContact CD1-CG2 4.3Å; F39-V43 HydrophobicContact CD2-CG2 4.28Å; F39-V43 HydrophobicContact CE1-CG2 3.83Å; F39-V43 HydrophobicContact CE2-CG2 3.77Å; F39-V43 HydrophobicContact CG-CG2 4.49Å; F39-V43 HydrophobicContact CZ-CG2 3.51Å; F39-V43 WeakPolarHBondContact O-CB 3.4Å; F39-V43 WeakPolarHBondContact O-CG2 3.21Å; F39-V43 PolarHBondContact O-N 2.94Å; F39-L76 HydrophobicContact CD1-CD2 3.76Å; F39-L76 HydrophobicContact CE1-CB 4.02Å; F39-L76 HydrophobicContact CE1-CD2 3.59Å; F39-L76 HydrophobicContact CE1-CG 4.46Å |
| 40 | R | 68.3 | Low | 66.5 | Low | 77 Ų | 77 | 54 Ų | 54 | 29% | 0.291 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 174.1 | -79 | 170.8 | 171.1 | -115.5 | -1.6 | 113 | D36 V43 D44 L76 | D36-R40 VanDerWaalsContact O-CB 3.25Å; D36-R40 WeakPolarHBondContact O-CB 3.45Å; D36-R40 WeakPolarHBondContact O-CD 3.46Å; D36-R40 WeakPolarHBondContact O-CG 3.49Å; D36-R40 PolarHBondContact O-N 2.87Å; R40-V43 PolarHBondContact O-N 3.17Å; R40-D44 WeakPolarHBondContact O-CB 3.35Å; R40-D44 PolarHBondContact O-N 3.13Å; R40-L76 HydrophobicContact CB-CD2 4.49Å; R40-L76 HydrophobicContact CG-CD1 3.82Å; R40-L76 HydrophobicContact CG-CD2 3.73Å; R40-L76 HydrophobicContact CG-CG 4.46Å |
| 41 | A | 62.5 | Low | 68.3 | Low | 37 Ų | 37 | 51.1 Ų | 51.1 | 31% | 0.306 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.5 | -51.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R37 R38 F39 V43 D44 D45 | R37-A41 VanDerWaalsContact O-CB 3.23Å; R37-A41 WeakPolarHBondContact O-CB 3.47Å; R37-A41 PolarHBondContact O-N 2.85Å; R38-A41 PolarHBondContact O-N 2.92Å; F39-A41 PolarHBondContact O-N 3.44Å; A41-V43 PolarHBondContact O-N 3.2Å; A41-V43 VanDerWaalsContact O-N 3.14Å; A41-D44 WeakPolarHBondContact O-CA 2.89Å; A41-D44 PolarHBondContact O-N 3.32Å; A41-D45 WeakPolarHBondContact O-CB 3.38Å; A41-D45 PolarHBondContact O-N 3.12Å |
| 42 | R | 68.7 | Low | 70.2 | Confident | 66 Ų | 66 | 48.3 Ų | 48.3 | 25% | 0.249 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.5 | -32.3 | 178 | -161.7 | 179.9 | -173.2 | 164.7 | 6.2 | 112.5 | I28 E32 R38 F39 A46 | I28-R42 HydrophobicContact CD1-CB 4.28Å; I28-R42 HydrophobicContact CD1-CG 3.82Å; I28-R42 HydrophobicContact CG1-CG 4.15Å; E32-R42 IonicContact OE1-NH1 2.76Å; E32-R42 PolarHBondContact OE1-NH1 2.91Å; E32-R42 IonicContact OE2-CZ 3.26Å; E32-R42 IonicContact OE2-NH1 2.74Å; E32-R42 PolarHBondContact OE2-NH1 2.9Å; R38-R42 WeakPolarHBondContact O-CB 3.37Å; R38-R42 PolarHBondContact O-N 2.8Å; F39-R42 PolarHBondContact O-N 3.47Å; R42-A46 WeakPolarHBondContact O-CB 3.44Å; R42-A46 PolarHBondContact O-N 2.84Å |
| 43 | V | 78.1 | Confident | 72 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.9 | -42.7 | 172.8 | 170.2 | 0 | 0 | 0 | 0 | 112.2 | L25 I28 F39 R40 A41 A46 I47 F63 L76 | L25-V43 HydrophobicContact CD2-CB 4.07Å; L25-V43 HydrophobicContact CD2-CG1 3.83Å; L25-V43 HydrophobicContact CD2-CG2 3.94Å; I28-V43 HydrophobicContact CD1-CG2 3.95Å; F39-V43 HydrophobicContact CD1-CG2 4.3Å; F39-V43 HydrophobicContact CD2-CG2 4.28Å; F39-V43 HydrophobicContact CE1-CG2 3.83Å; F39-V43 HydrophobicContact CE2-CG2 3.77Å; F39-V43 HydrophobicContact CG-CG2 4.49Å; F39-V43 HydrophobicContact CZ-CG2 3.51Å; F39-V43 WeakPolarHBondContact O-CB 3.4Å; F39-V43 WeakPolarHBondContact O-CG2 3.21Å; F39-V43 PolarHBondContact O-N 2.94Å; R40-V43 PolarHBondContact O-N 3.17Å; A41-V43 PolarHBondContact O-N 3.2Å; A41-V43 VanDerWaalsContact O-N 3.14Å; V43-A46 PolarHBondContact O-N 2.91Å; V43-I47 HydrophobicContact CG1-CD1 3.75Å; V43-I47 HydrophobicContact CG1-CG1 4.49Å; V43-I47 WeakPolarHBondContact O-CB 3.42Å; V43-I47 WeakPolarHBondContact O-CD1 3.41Å; V43-I47 WeakPolarHBondContact O-CG1 3.43Å; V43-I47 PolarHBondContact O-N 2.84Å; V43-F63 HydrophobicContact CB-CE1 4.4Å; V43-F63 HydrophobicContact CG1-CE1 3.72Å; V43-F63 HydrophobicContact CG1-CZ 4.12Å; V43-L76 HydrophobicContact CB-CD2 4.4Å; V43-L76 HydrophobicContact CG1-CD2 4.34Å; V43-L76 HydrophobicContact CG2-CD2 4.42Å |
| 44 | D | 79.6 | Confident | 73.9 | Confident | 31 Ų | 31 | 44 Ų | 44 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 175.1 | -164.4 | 70.7 | 0 | 0 | 0 | 111.1 | R40 A41 I47 R48 I61 F63 | R40-D44 WeakPolarHBondContact O-CB 3.35Å; R40-D44 PolarHBondContact O-N 3.13Å; A41-D44 WeakPolarHBondContact O-CA 2.89Å; A41-D44 PolarHBondContact O-N 3.32Å; D44-I47 PolarHBondContact O-N 3.36Å; D44-R48 WeakPolarHBondContact O-CB 2.97Å; D44-R48 WeakPolarHBondContact O-CG 3.06Å; D44-R48 PolarHBondContact O-N 2.78Å; D44-R48 IonicContact OD1-CZ 3.48Å; D44-R48 IonicContact OD1-NE 3.39Å; D44-R48 IonicContact OD1-NH2 3.78Å; D44-R48 PolarHBondContact OD1-NH2 3.21Å; D44-R48 IonicContact OD2-CZ 2.72Å; D44-R48 VanDerWaalsContact OD2-CZ 3.28Å; D44-R48 IonicContact OD2-NE 2.67Å; D44-R48 PolarHBondContact OD2-NE 3.12Å; D44-R48 IonicContact OD2-NH2 3.39Å; D44-R48 PolarHBondContact OD2-NH2 2.79Å; D44-I61 WeakPolarHBondContact OD1-CB 3.47Å; D44-I61 VanDerWaalsContact OD1-CD1 3.3Å; D44-I61 WeakPolarHBondContact OD1-CD1 2.95Å; D44-I61 WeakPolarHBondContact OD1-CG2 3.35Å; D44-F63 HydrophobicContact CB-CE2 3.76Å; D44-F63 HydrophobicContact CB-CZ 3.75Å; D44-F63 WeakPolarHBondContact OD1-CE2 3.46Å |
| 45 | D | 74.2 | Confident | 75.6 | Confident | 92 Ų | 92 | 40.7 Ų | 40.7 | 49% | 0.492 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.9 | -50.7 | 174.4 | -67.5 | -37.9 | 0 | 0 | 0 | 111.1 | A41 I47 R48 E49 | A41-D45 WeakPolarHBondContact O-CB 3.38Å; A41-D45 PolarHBondContact O-N 3.12Å; D45-I47 VanDerWaalsContact C-N 3.29Å; D45-I47 PolarHBondContact O-N 3.43Å; D45-R48 PolarHBondContact O-N 3.33Å; D45-R48 VanDerWaalsContact O-N 3.11Å; D45-E49 WeakPolarHBondContact O-CG 3.29Å; D45-E49 PolarHBondContact O-N 2.79Å |
| 46 | A | 80.1 | Confident | 77.6 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 7% | 0.066 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.7 | -35.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q24 L25 I28 R42 V43 G50 | Q24-A46 HydrophobicContact CB-CB 4.31Å; Q24-A46 HydrophobicContact CG-CB 3.82Å; Q24-A46 WeakPolarHBondContact CG-O 3.32Å; L25-A46 HydrophobicContact CD2-CB 3.69Å; L25-A46 HydrophobicContact CG-CB 4.19Å; I28-A46 HydrophobicContact CD1-CB 4.32Å; R42-A46 WeakPolarHBondContact O-CB 3.44Å; R42-A46 PolarHBondContact O-N 2.84Å; V43-A46 PolarHBondContact O-N 2.91Å; A46-G50 PolarHBondContact O-N 3.13Å; A46-G50 VanDerWaalsContact O-N 3.12Å |
| 47 | I | 86.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.9 | -45.4 | 172.5 | -65.7 | 161.5 | 0 | 0 | 0 | 110.3 | V10 V21 L25 V43 D44 D45 L51 I61 A78 V80 | V10-I47 HydrophobicContact CG2-CD1 4.5Å; V21-I47 HydrophobicContact CG1-CB 4.19Å; V21-I47 HydrophobicContact CG1-CG1 3.66Å; V21-I47 HydrophobicContact CG1-CG2 4.27Å; V21-I47 HydrophobicContact CG2-CG2 4.41Å; L25-I47 HydrophobicContact CD1-CG1 4.15Å; L25-I47 HydrophobicContact CD2-CG1 4.46Å; V43-I47 HydrophobicContact CG1-CD1 3.75Å; V43-I47 HydrophobicContact CG1-CG1 4.49Å; V43-I47 WeakPolarHBondContact O-CB 3.42Å; V43-I47 WeakPolarHBondContact O-CD1 3.41Å; V43-I47 WeakPolarHBondContact O-CG1 3.43Å; V43-I47 PolarHBondContact O-N 2.84Å; D44-I47 PolarHBondContact O-N 3.36Å; D45-I47 VanDerWaalsContact C-N 3.29Å; D45-I47 PolarHBondContact O-N 3.43Å; I47-L51 HydrophobicContact CG2-CD1 3.92Å; I47-L51 WeakPolarHBondContact O-CB 3.36Å; I47-L51 VanDerWaalsContact O-CG 3.25Å; I47-L51 WeakPolarHBondContact O-CG 3.44Å; I47-L51 PolarHBondContact O-N 3.09Å; I47-I61 HydrophobicContact CB-CD1 3.89Å; I47-I61 HydrophobicContact CD1-CG2 4.41Å; I47-I61 HydrophobicContact CG2-CD1 3.47Å; I47-I61 VanDerWaalsContact CG2-CD1 3.47Å; I47-I61 HydrophobicContact CG2-CG1 4.24Å; I47-A78 HydrophobicContact CD1-CB 3.44Å; I47-A78 VanDerWaalsContact CD1-CB 3.44Å; I47-V80 HydrophobicContact CD1-CG2 4.14Å; I47-V80 HydrophobicContact CG2-CG1 3.9Å; I47-V80 HydrophobicContact CG2-CG2 3.86Å |
| 48 | R | 88 | Confident | 80.7 | Confident | 71 Ų | 71 | 36.1 Ų | 36.1 | 27% | 0.268 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.4 | -47.7 | -179.2 | -73.2 | -175.1 | -161.8 | -64.4 | -20.3 | 112.3 | D44 D45 L51 K52 P59 I61 | D44-R48 WeakPolarHBondContact O-CB 2.97Å; D44-R48 WeakPolarHBondContact O-CG 3.06Å; D44-R48 PolarHBondContact O-N 2.78Å; D44-R48 IonicContact OD1-CZ 3.48Å; D44-R48 IonicContact OD1-NE 3.39Å; D44-R48 IonicContact OD1-NH2 3.78Å; D44-R48 PolarHBondContact OD1-NH2 3.21Å; D44-R48 IonicContact OD2-CZ 2.72Å; D44-R48 VanDerWaalsContact OD2-CZ 3.28Å; D44-R48 IonicContact OD2-NE 2.67Å; D44-R48 PolarHBondContact OD2-NE 3.12Å; D44-R48 IonicContact OD2-NH2 3.39Å; D44-R48 PolarHBondContact OD2-NH2 2.79Å; D45-R48 PolarHBondContact O-N 3.33Å; D45-R48 VanDerWaalsContact O-N 3.11Å; R48-L51 PolarHBondContact O-N 3.16Å; R48-K52 WeakPolarHBondContact O-CB 3.37Å; R48-K52 VanDerWaalsContact O-CG 3.28Å; R48-K52 WeakPolarHBondContact O-CG 3.08Å; R48-K52 PolarHBondContact O-N 2.98Å; R48-P59 HydrophobicContact CG-CG 4.15Å; R48-P59 PolarHBondContact NH1-O 2.69Å; R48-I61 HydrophobicContact CG-CD1 3.87Å |
| 49 | E | 82.8 | Confident | 82.5 | Confident | 56 Ų | 56 | 33.9 Ų | 33.9 | 26% | 0.262 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 177.1 | -63.4 | -49.1 | 108.7 | 0 | 0 | 110.9 | D45 L51 K52 A53 V1543 | D45-E49 WeakPolarHBondContact O-CG 3.29Å; D45-E49 PolarHBondContact O-N 2.79Å; E49-L51 PolarHBondContact O-N 3.37Å; E49-L51 VanDerWaalsContact O-N 3.13Å; E49-K52 PolarHBondContact O-N 3.21Å; E49-K52 WeakPolarHBondContact OE1-CD 3.22Å; E49-K52 WeakPolarHBondContact OE1-CE 3.45Å; E49-K52 IonicContact OE1-NZ 2.74Å; E49-K52 PolarHBondContact OE1-NZ 2.84Å; E49-A53 WeakPolarHBondContact O-CB 3.29Å; E49-A53 PolarHBondContact O-N 3.01Å; E49-V1543 HydrophobicContact CB-CG2 4.27Å; E49-V1543 WeakPolarHBondContact O-CG2 3.25Å; E49-V1543 WeakPolarHBondContact OE2-CB 3.41Å; E49-V1543 VanDerWaalsContact OE2-CG2 3.28Å; E49-V1543 WeakPolarHBondContact OE2-CG2 3.45Å |
| 50 | G | 85.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -19.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N20 A46 | N20-G50 PolarHBondContact ND2-O 3.02Å; A46-G50 PolarHBondContact O-N 3.13Å; A46-G50 VanDerWaalsContact O-N 3.12Å |
| 51 | L | 92.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -94 | -44.4 | 174.4 | -74.7 | 179.9 | 0 | 0 | 0 | 113.1 | L13 L17 V21 I47 R48 E49 A53 L54 G55 Y56 P59 V80 | L13-L51 HydrophobicContact CD1-CD2 4.32Å; L13-L51 HydrophobicContact CD2-CD1 4.44Å; L13-L51 HydrophobicContact CD2-CD2 4.15Å; L17-L51 HydrophobicContact CB-CD2 3.91Å; L17-L51 HydrophobicContact CD1-CD2 4.27Å; L17-L51 HydrophobicContact CD2-CD2 3.91Å; L17-L51 HydrophobicContact CG-CD2 4.24Å; V21-L51 HydrophobicContact CG2-CD2 4Å; V21-L51 HydrophobicContact CG2-CG 3.77Å; I47-L51 HydrophobicContact CG2-CD1 3.92Å; I47-L51 WeakPolarHBondContact O-CB 3.36Å; I47-L51 VanDerWaalsContact O-CG 3.25Å; I47-L51 WeakPolarHBondContact O-CG 3.44Å; I47-L51 PolarHBondContact O-N 3.09Å; R48-L51 PolarHBondContact O-N 3.16Å; E49-L51 PolarHBondContact O-N 3.37Å; E49-L51 VanDerWaalsContact O-N 3.13Å; L51-A53 VanDerWaalsContact C-N 3.26Å; L51-A53 PolarHBondContact O-N 3.07Å; L51-L54 CarbonylContact O-C 3.51Å; L51-L54 VanDerWaalsContact O-C 3.31Å; L51-L54 WeakPolarHBondContact O-CA 3.18Å; L51-L54 PolarHBondContact O-N 3.37Å; L51-G55 PolarHBondContact O-N 2.8Å; L51-Y56 CarbonylContact C-O 3.55Å; L51-Y56 PolarHBondContact O-N 2.88Å; L51-P59 HydrophobicContact CD1-CB 3.57Å; L51-P59 HydrophobicContact CD1-CG 3.94Å; L51-V80 HydrophobicContact CD1-CG1 3.76Å |
| 52 | K | 90.2 | Very high | 85.6 | Confident | 59 Ų | 59 | 39.4 Ų | 39.4 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -54.4 | -43.4 | 172.9 | -74.3 | 170.9 | -173.9 | 173.5 | 0 | 111.4 | R48 E49 L54 G55 Y56 Y57 Q121 V1543 | R48-K52 WeakPolarHBondContact O-CB 3.37Å; R48-K52 VanDerWaalsContact O-CG 3.28Å; R48-K52 WeakPolarHBondContact O-CG 3.08Å; R48-K52 PolarHBondContact O-N 2.98Å; E49-K52 PolarHBondContact O-N 3.21Å; E49-K52 WeakPolarHBondContact OE1-CD 3.22Å; E49-K52 WeakPolarHBondContact OE1-CE 3.45Å; E49-K52 IonicContact OE1-NZ 2.74Å; E49-K52 PolarHBondContact OE1-NZ 2.84Å; K52-L54 PolarHBondContact O-N 3.04Å; K52-L54 VanDerWaalsContact O-N 3.08Å; K52-G55 PolarHBondContact O-N 2.78Å; K52-Y56 PolarHBondContact N-O 2.83Å; K52-Y57 HydrophobicContact CB-CE1 4.42Å; K52-Y57 HydrophobicContact CG-CD1 4.01Å; K52-Y57 HydrophobicContact CG-CE1 4.22Å; K52-Y57 HydrophobicContact CG-CG 4.26Å; K52-Q121 VanDerWaalsContact C-NE2 3.29Å; K52-Q121 PolarHBondContact O-NE2 3.14Å; K52-V1543 HydrophobicContact CB-CG2 3.68Å; K52-V1543 HydrophobicContact CD-CG2 4.46Å |
| 53 | A | 88.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -25.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E49 L51 Q121 V1541 G1542 V1543 | E49-A53 WeakPolarHBondContact O-CB 3.29Å; E49-A53 PolarHBondContact O-N 3.01Å; L51-A53 VanDerWaalsContact C-N 3.26Å; L51-A53 PolarHBondContact O-N 3.07Å; A53-Q121 PolarHBondContact O-N 2.86Å; A53-V1541 HydrophobicContact CB-CB 4.22Å; A53-V1541 HydrophobicContact CB-CG1 3.97Å; A53-V1541 WeakPolarHBondContact CB-O 3.34Å; A53-G1542 WeakPolarHBondContact CB-O 3.42Å; A53-V1543 HydrophobicContact CB-CG2 4.03Å |
| 54 | L | 92.4 | Very high | 86.3 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 25 | 177.9 | -61.3 | 177.2 | 0 | 0 | 0 | 112.4 | Q16 L17 N20 L51 K52 Y56 V118 L119 V1541 | Q16-L54 HydrophobicContact CG-CD1 3.93Å; L17-L54 HydrophobicContact CD2-CB 3.78Å; L17-L54 HydrophobicContact CD2-CD1 3.84Å; L17-L54 HydrophobicContact CD2-CG 4.49Å; N20-L54 HydrophobicContact CB-CD1 3.55Å; N20-L54 HydrophobicContact CB-CG 4.46Å; L51-L54 CarbonylContact O-C 3.51Å; L51-L54 VanDerWaalsContact O-C 3.31Å; L51-L54 WeakPolarHBondContact O-CA 3.18Å; L51-L54 PolarHBondContact O-N 3.37Å; K52-L54 PolarHBondContact O-N 3.04Å; K52-L54 VanDerWaalsContact O-N 3.08Å; L54-Y56 WeakPolarHBondContact O-CD2 3.36Å; L54-Y56 WeakPolarHBondContact O-CE2 3.43Å; L54-V118 WeakPolarHBondContact O-CG1 3.28Å; L54-L119 CarbonylContact C-O 3.28Å; L54-L119 WeakPolarHBondContact CA-O 3.4Å; L54-V1541 HydrophobicContact CD2-CB 4.1Å; L54-V1541 HydrophobicContact CD2-CG1 4.37Å; L54-V1541 HydrophobicContact CD2-CG2 3.92Å |
| 55 | G | 91.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 1.1 | 171 | 0 | 0 | 0 | 0 | 0 | 116.1 | L51 K52 Y57 V86 L119 | L51-G55 PolarHBondContact O-N 2.8Å; K52-G55 PolarHBondContact O-N 2.78Å; G55-Y57 PolarHBondContact O-N 2.92Å; G55-V86 WeakPolarHBondContact O-CB 3.22Å; G55-V86 WeakPolarHBondContact O-CG2 3.16Å; G55-V86 PolarHBondContact O-N 2.99Å; G55-L119 PolarHBondContact N-O 3.32Å; G55-L119 VanDerWaalsContact N-O 3.1Å |
| 56 | Y | 93.7 | Very high | 85.6 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | trans | -100.4 | 89 | -176 | -69.4 | -93.1 | 0 | 0 | 0 | 111.4 | L17 L51 K52 L54 P82 P85 V118 | L17-Y56 HydrophobicContact CD1-CD2 4.09Å; L17-Y56 HydrophobicContact CD1-CE1 4.35Å; L17-Y56 HydrophobicContact CD1-CE2 3.77Å; L17-Y56 HydrophobicContact CD2-CD2 3.5Å; L17-Y56 HydrophobicContact CD2-CE2 3.52Å; L17-Y56 HydrophobicContact CD2-CG 4.47Å; L17-Y56 HydrophobicContact CG-CD2 4.45Å; L17-Y56 HydrophobicContact CG-CE2 4.21Å; L51-Y56 CarbonylContact C-O 3.55Å; L51-Y56 PolarHBondContact O-N 2.88Å; K52-Y56 PolarHBondContact N-O 2.83Å; L54-Y56 WeakPolarHBondContact O-CD2 3.36Å; L54-Y56 WeakPolarHBondContact O-CE2 3.43Å; Y56-P82 HydrophobicContact CD1-CB 3.32Å; Y56-P82 HydrophobicContact CE1-CB 3.64Å; Y56-P82 HydrophobicContact CG-CB 3.99Å; Y56-P85 HydrophobicContact CD1-CB 4.29Å; Y56-P85 HydrophobicContact CD2-CB 4.49Å; Y56-P85 HydrophobicContact CE1-CB 3.79Å; Y56-P85 HydrophobicContact CE1-CG 4.08Å; Y56-P85 HydrophobicContact CE2-CB 3.95Å; Y56-V118 HydrophobicContact CE2-CG1 4.24Å | ||
| 57 | Y | 88.6 | Confident | 84.6 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 12% | 0.122 | 24% | 0.238 | C | C | . | . | trans | -87.7 | -19.9 | -173 | -79 | -106.9 | 0 | 0 | 0 | 114.9 | K52 G55 P59 V86 L119 Q121 I152 L154 V1547 M1549 | K52-Y57 HydrophobicContact CB-CE1 4.42Å; K52-Y57 HydrophobicContact CG-CD1 4.01Å; K52-Y57 HydrophobicContact CG-CE1 4.22Å; K52-Y57 HydrophobicContact CG-CG 4.26Å; G55-Y57 PolarHBondContact O-N 2.92Å; Y57-P59 VanDerWaalsContact O-CD 3.3Å; Y57-P59 WeakPolarHBondContact O-CD 3.41Å; Y57-V86 HydrophobicContact CD2-CB 4.39Å; Y57-V86 HydrophobicContact CD2-CG2 3.68Å; Y57-V86 HydrophobicContact CE2-CG2 4.25Å; Y57-V86 HydrophobicContact CG-CG2 4.41Å; Y57-L119 HydrophobicContact CE2-CD2 4.07Å; Y57-Q121 PolarHBondContact OH-NE2 2.76Å; Y57-I152 HydrophobicContact CD1-CG2 4.32Å; Y57-I152 HydrophobicContact CD2-CG2 4.46Å; Y57-I152 HydrophobicContact CE1-CG1 4.25Å; Y57-I152 HydrophobicContact CE1-CG2 4.06Å; Y57-I152 HydrophobicContact CE2-CD1 4.39Å; Y57-I152 HydrophobicContact CE2-CG2 4.24Å; Y57-I152 WeakPolarHBondContact OH-CG1 3.35Å; Y57-L154 VanDerWaalsContact CB-CD2 3.5Å; Y57-L154 HydrophobicContact CD1-CD2 4.07Å; Y57-L154 HydrophobicContact CD2-CD2 4.48Å; Y57-L154 HydrophobicContact CG-CD2 3.78Å; Y57-V1547 HydrophobicContact CE1-CG1 4.35Å; Y57-M1549 HydrophobicContact CD1-CE 4.46Å | ||
| 58 | Q | 86.6 | Confident | 83.2 | Confident | 113 Ų | 113 | 52.3 Ų | 52.3 | 53% | 0.528 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -116.7 | 51.1 | -176 | -63.3 | -177.1 | -12.6 | 0 | 0 | 113.7 | ||
| 59 | P | 90.6 | Very high | 81.7 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 4% | 0.039 | 27% | 0.272 | C | S | . | . | trans | -76 | 137.4 | 179.5 | 32.7 | -35.2 | 0 | 0 | 0 | 112.3 | R48 L51 Y57 I61 T81 | R48-P59 HydrophobicContact CG-CG 4.15Å; R48-P59 PolarHBondContact NH1-O 2.69Å; L51-P59 HydrophobicContact CD1-CB 3.57Å; L51-P59 HydrophobicContact CD1-CG 3.94Å; Y57-P59 VanDerWaalsContact O-CD 3.3Å; Y57-P59 WeakPolarHBondContact O-CD 3.41Å; P59-I61 HydrophobicContact CB-CG1 4.48Å; P59-T81 CarbonylContact C-O 3.43Å; P59-T81 VanDerWaalsContact CA-O 3.24Å; P59-T81 WeakPolarHBondContact CA-O 3.06Å | ||
| 60 | T | 87.2 | Confident | 80.2 | Confident | 89 Ų | 89 | 61.1 Ų | 61.1 | 55% | 0.546 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.5 | 168.8 | -56 | 0 | 0 | 0 | 0 | 108.8 | V80 T81 | T60-V80 WeakPolarHBondContact O-CA 3.31Å; T60-T81 PolarHBondContact N-O 2.93Å; T60-T81 PolarHBondContact O-N 3.06Å |
| 61 | I | 88.3 | Confident | 78.6 | Confident | 23 Ų | 23 | 71.4 Ų | 71.4 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 116.9 | -175.2 | -55.8 | 177.6 | 0 | 0 | 0 | 108.7 | D44 I47 R48 P59 F63 A78 K79 V80 | D44-I61 WeakPolarHBondContact OD1-CB 3.47Å; D44-I61 VanDerWaalsContact OD1-CD1 3.3Å; D44-I61 WeakPolarHBondContact OD1-CD1 2.95Å; D44-I61 WeakPolarHBondContact OD1-CG2 3.35Å; I47-I61 HydrophobicContact CB-CD1 3.89Å; I47-I61 HydrophobicContact CD1-CG2 4.41Å; I47-I61 HydrophobicContact CG2-CD1 3.47Å; I47-I61 VanDerWaalsContact CG2-CD1 3.47Å; I47-I61 HydrophobicContact CG2-CG1 4.24Å; R48-I61 HydrophobicContact CG-CD1 3.87Å; P59-I61 HydrophobicContact CB-CG1 4.48Å; I61-F63 HydrophobicContact CG2-CD2 4.2Å; I61-F63 HydrophobicContact CG2-CE1 4.35Å; I61-F63 HydrophobicContact CG2-CE2 3.6Å; I61-F63 HydrophobicContact CG2-CZ 3.7Å; I61-A78 HydrophobicContact CG2-CB 4.23Å; I61-K79 WeakPolarHBondContact CA-O 3.3Å; I61-V80 HydrophobicContact CG1-CG1 4.23Å; I61-V80 HydrophobicContact CG1-CG2 4.31Å; I61-V80 HydrophobicContact CG2-CG2 4.31Å |
| 62 | E | 85 | Confident | 76.8 | Confident | 123 Ų | 123 | 73.3 Ų | 73.3 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 129.2 | 174.5 | -64.5 | -172.4 | 163.7 | 0 | 0 | 111.2 | A78 K79 | E62-A78 WeakPolarHBondContact O-CA 3.41Å; E62-K79 HydrophobicContact CB-CB 4.33Å; E62-K79 PolarHBondContact N-O 3.07Å; E62-K79 PolarHBondContact O-N 3.01Å |
| 63 | F | 81.6 | Confident | 75.3 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 23% | 0.228 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 107.3 | -178.5 | -74.6 | -72.8 | 0 | 0 | 0 | 113.9 | V43 D44 I61 L76 I77 A78 | V43-F63 HydrophobicContact CB-CE1 4.4Å; V43-F63 HydrophobicContact CG1-CE1 3.72Å; V43-F63 HydrophobicContact CG1-CZ 4.12Å; D44-F63 HydrophobicContact CB-CE2 3.76Å; D44-F63 HydrophobicContact CB-CZ 3.75Å; D44-F63 WeakPolarHBondContact OD1-CE2 3.46Å; I61-F63 HydrophobicContact CG2-CD2 4.2Å; I61-F63 HydrophobicContact CG2-CE1 4.35Å; I61-F63 HydrophobicContact CG2-CE2 3.6Å; I61-F63 HydrophobicContact CG2-CZ 3.7Å; F63-L76 HydrophobicContact CB-CD1 4.24Å; F63-L76 HydrophobicContact CD1-CD1 3.81Å; F63-L76 HydrophobicContact CD1-CD2 3.85Å; F63-L76 HydrophobicContact CD1-CG 3.82Å; F63-L76 HydrophobicContact CE1-CD2 3.9Å; F63-L76 HydrophobicContact CE1-CG 4.28Å; F63-L76 HydrophobicContact CG-CD1 4.41Å; F63-I77 WeakPolarHBondContact CA-O 3.2Å; F63-A78 HydrophobicContact CD1-CB 4.13Å; F63-A78 HydrophobicContact CE1-CB 3.72Å; F63-A78 HydrophobicContact CZ-CB 4.41Å |
| 64 | D | 78.7 | Confident | 74.2 | Confident | 69 Ų | 69 | 80.4 Ų | 80.4 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 154.6 | 173 | -160.5 | -14.2 | 0 | 0 | 0 | 110.4 | I77 K79 | D64-I77 HydrophobicContact CB-CB 4.28Å; D64-I77 PolarHBondContact N-O 2.81Å; D64-I77 PolarHBondContact O-N 2.86Å; D64-K79 IonicContact OD2-NZ 2.66Å; D64-K79 PolarHBondContact OD2-NZ 3.17Å |
| 65 | L | 70.2 | Confident | 73.1 | Confident | 49 Ų | 49 | 81.4 Ų | 81.4 | 26% | 0.257 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 106.8 | 175.8 | -92.4 | 172 | 0 | 0 | 0 | 109.2 | P35 P67 Q74 L76 | P35-L65 HydrophobicContact CB-CD1 4.29Å; P35-L65 HydrophobicContact CB-CD2 3.9Å; L65-P67 WeakPolarHBondContact O-CD 3.28Å; L65-Q74 HydrophobicContact CD2-CB 4.36Å; L65-L76 HydrophobicContact CD2-CB 4.24Å; L65-L76 HydrophobicContact CD2-CD1 4.02Å; L65-L76 HydrophobicContact CG-CD1 4.09Å |
| 66 | R | 69.5 | Low | 72.3 | Confident | 127 Ų | 127 | 81.5 Ų | 81.5 | 48% | 0.479 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 126.8 | 170.3 | -79.5 | -174.3 | -167.7 | 131.9 | 16.6 | 109 | E11 V75 I77 | E11-R66 IonicContact OE1-CZ 3.09Å; E11-R66 IonicContact OE1-NH1 3.77Å; E11-R66 IonicContact OE1-NH2 2.7Å; E11-R66 PolarHBondContact OE1-NH2 3.28Å; R66-V75 PolarHBondContact N-O 3.16Å; R66-I77 HydrophobicContact CB-CD1 4.42Å; R66-I77 HydrophobicContact CG-CD1 3.64Å; R66-I77 VanDerWaalsContact NE-CD1 3.28Å; R66-I77 VanDerWaalsContact NH1-CD1 3.31Å |
| 67 | P | 60.2 | Low | 71.7 | Confident | 109 Ų | 109 | 79.5 Ų | 79.5 | 71% | 0.708 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 148.8 | 171.7 | -25.6 | 34.9 | 0 | 0 | 0 | 111.2 | L65 | L65-P67 WeakPolarHBondContact O-CD 3.28Š|
| 68 | P | 55.5 | Low | 71.5 | Confident | 65 Ų | 65 | 78.1 Ų | 78.1 | 42% | 0.422 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -67 | 141.1 | -176.2 | 28.8 | -32.5 | 0 | 0 | 0 | 110.5 | G72 R73 Q74 | P68-G72 WeakPolarHBondContact CB-O 3.4Å; P68-R73 WeakPolarHBondContact CA-O 3.46Å; P68-R73 WeakPolarHBondContact CB-O 3.11Å; P68-Q74 HydrophobicContact CB-CG 4.33Å; P68-Q74 HydrophobicContact CG-CG 4.22Å |
| 69 | P | 56.2 | Low | 71.6 | Confident | 88 Ų | 88 | 76 Ų | 76 | 57% | 0.571 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 158.5 | 160.2 | -23.3 | 33.3 | 0 | 0 | 0 | 110.4 | K71 G72 | P69-K71 PolarHBondContact O-N 3.49Å; P69-G72 PolarHBondContact O-N 3.19Å |
| 70 | K | 52.2 | Low | 71.6 | Confident | 225 Ų | 225 | 75.9 Ų | 75.9 | 98% | 0.978 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -7.5 | -175.4 | -79.3 | -172.6 | 174.7 | 179.7 | 0 | 116.6 | ||
| 71 | K | 51.2 | Low | 71.8 | Confident | 216 Ų | 216 | 76 Ų | 76 | 94% | 0.939 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.1 | 16.9 | 168.9 | -67.5 | -168.8 | 174.5 | -174.8 | 0 | 113.6 | P69 | P69-K71 PolarHBondContact O-N 3.49Š|
| 72 | G | 54.5 | Low | 71.7 | Confident | 39 Ų | 39 | 76 Ų | 76 | 40% | 0.402 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -103.3 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P68 P69 | P68-G72 WeakPolarHBondContact CB-O 3.4Å; P69-G72 PolarHBondContact O-N 3.19Å |
| 73 | R | 58.5 | Low | 71.8 | Confident | 128 Ų | 128 | 71.9 Ų | 71.9 | 48% | 0.483 | 37% | 0.374 | S | S | . | . | trans | -86 | 170.4 | 167.9 | -70.9 | 176.7 | 172.4 | -173.6 | -6.4 | 110.6 | D6 S30 P68 | D6-R73 WeakPolarHBondContact O-CB 3.25Å; S30-R73 PolarHBondContact O-NH1 2.71Å; P68-R73 WeakPolarHBondContact CA-O 3.46Å; P68-R73 WeakPolarHBondContact CB-O 3.11Å | ||
| 74 | Q | 65.5 | Low | 72.2 | Confident | 80 Ų | 80 | 73.7 Ų | 73.7 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | trans | -78 | 139.9 | 169.1 | -80.8 | 176.2 | 57 | 0 | 0 | 109.4 | P35 L65 P68 | P35-Q74 HydrophobicContact CB-CB 4.38Å; P35-Q74 HydrophobicContact CG-CB 4.49Å; L65-Q74 HydrophobicContact CD2-CB 4.36Å; P68-Q74 HydrophobicContact CB-CG 4.33Å; P68-Q74 HydrophobicContact CG-CG 4.22Å | ||
| 75 | V | 69.2 | Low | 72.9 | Confident | 35 Ų | 35 | 71.9 Ų | 71.9 | 21% | 0.212 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 117 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | A9 R66 I77 | A9-V75 HydrophobicContact CB-CG1 4.16Å; R66-V75 PolarHBondContact N-O 3.16Å; V75-I77 HydrophobicContact CG1-CG1 4.04Å |
| 76 | L | 75.7 | Confident | 74 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.8 | 168.2 | -176.6 | 70.5 | 0 | 0 | 0 | 109.4 | S7 Y8 A9 F39 R40 V43 F63 L65 | S7-L76 PolarHBondContact O-N 3.5Å; Y8-L76 CarbonylContact C-O 3.56Å; Y8-L76 WeakPolarHBondContact CA-O 3.43Å; A9-L76 PolarHBondContact N-O 3.3Å; F39-L76 HydrophobicContact CD1-CD2 3.76Å; F39-L76 HydrophobicContact CE1-CB 4.02Å; F39-L76 HydrophobicContact CE1-CD2 3.59Å; F39-L76 HydrophobicContact CE1-CG 4.46Å; R40-L76 HydrophobicContact CB-CD2 4.49Å; R40-L76 HydrophobicContact CG-CD1 3.82Å; R40-L76 HydrophobicContact CG-CD2 3.73Å; R40-L76 HydrophobicContact CG-CG 4.46Å; V43-L76 HydrophobicContact CB-CD2 4.4Å; V43-L76 HydrophobicContact CG1-CD2 4.34Å; V43-L76 HydrophobicContact CG2-CD2 4.42Å; F63-L76 HydrophobicContact CB-CD1 4.24Å; F63-L76 HydrophobicContact CD1-CD1 3.81Å; F63-L76 HydrophobicContact CD1-CD2 3.85Å; F63-L76 HydrophobicContact CD1-CG 3.82Å; F63-L76 HydrophobicContact CE1-CD2 3.9Å; F63-L76 HydrophobicContact CE1-CG 4.28Å; F63-L76 HydrophobicContact CG-CD1 4.41Å; L65-L76 HydrophobicContact CD2-CB 4.24Å; L65-L76 HydrophobicContact CD2-CD1 4.02Å; L65-L76 HydrophobicContact CG-CD1 4.09Å |
| 77 | I | 81.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115.8 | -178.8 | -54.1 | -174.3 | 0 | 0 | 0 | 108.8 | A9 E11 F63 D64 R66 V75 K79 | A9-I77 HydrophobicContact CB-CG1 4.42Å; A9-I77 WeakPolarHBondContact O-CA 3.26Å; E11-I77 HydrophobicContact CB-CG2 4.48Å; E11-I77 HydrophobicContact CG-CG2 3.86Å; F63-I77 WeakPolarHBondContact CA-O 3.2Å; D64-I77 HydrophobicContact CB-CB 4.28Å; D64-I77 PolarHBondContact N-O 2.81Å; D64-I77 PolarHBondContact O-N 2.86Å; R66-I77 HydrophobicContact CB-CD1 4.42Å; R66-I77 HydrophobicContact CG-CD1 3.64Å; R66-I77 VanDerWaalsContact NE-CD1 3.28Å; R66-I77 VanDerWaalsContact NH1-CD1 3.31Å; V75-I77 HydrophobicContact CG1-CG1 4.04Å; I77-K79 HydrophobicContact CG2-CG 4.32Å |
| 78 | A | 83.2 | Confident | 76.9 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 2% | 0.017 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 111.5 | 170 | 0 | 0 | 0 | 0 | 0 | 108.9 | A9 V10 E11 I47 I61 E62 F63 V80 | A9-A78 PolarHBondContact O-N 3.22Å; V10-A78 WeakPolarHBondContact CA-O 3.41Å; E11-A78 PolarHBondContact N-O 2.56Å; I47-A78 HydrophobicContact CD1-CB 3.44Å; I47-A78 VanDerWaalsContact CD1-CB 3.44Å; I61-A78 HydrophobicContact CG2-CB 4.23Å; E62-A78 WeakPolarHBondContact O-CA 3.41Å; F63-A78 HydrophobicContact CD1-CB 4.13Å; F63-A78 HydrophobicContact CE1-CB 3.72Å; F63-A78 HydrophobicContact CZ-CB 4.41Å; A78-V80 HydrophobicContact CB-CG2 4.05Å |
| 79 | K | 89.7 | Confident | 78.6 | Confident | 69 Ų | 69 | 59.5 Ų | 59.5 | 30% | 0.3 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 115.2 | 169.5 | -62.9 | 166.6 | -166.3 | 157.2 | 0 | 107.2 | E11 I61 E62 D64 I77 | E11-K79 HydrophobicContact CB-CG 4.22Å; E11-K79 CarbonylContact O-C 3.18Å; E11-K79 WeakPolarHBondContact O-CA 3.38Å; I61-K79 WeakPolarHBondContact CA-O 3.3Å; E62-K79 HydrophobicContact CB-CB 4.33Å; E62-K79 PolarHBondContact N-O 3.07Å; E62-K79 PolarHBondContact O-N 3.01Å; D64-K79 IonicContact OD2-NZ 2.66Å; D64-K79 PolarHBondContact OD2-NZ 3.17Å; I77-K79 HydrophobicContact CG2-CG 4.32Å |
| 80 | V | 91.4 | Very high | 80.3 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.4 | -167.2 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | V10 E11 G12 L13 I47 L51 T60 I61 A78 | V10-V80 HydrophobicContact CG1-CB 4.43Å; V10-V80 HydrophobicContact CG1-CG2 3.83Å; E11-V80 PolarHBondContact O-N 2.64Å; G12-V80 CarbonylContact C-O 3.54Å; L13-V80 HydrophobicContact CD1-CG1 4.38Å; L13-V80 HydrophobicContact CD2-CB 4.09Å; L13-V80 HydrophobicContact CD2-CG1 3.72Å; L13-V80 HydrophobicContact CG-CB 4.07Å; L13-V80 HydrophobicContact CG-CG1 4.12Å; I47-V80 HydrophobicContact CD1-CG2 4.14Å; I47-V80 HydrophobicContact CG2-CG1 3.9Å; I47-V80 HydrophobicContact CG2-CG2 3.86Å; L51-V80 HydrophobicContact CD1-CG1 3.76Å; T60-V80 WeakPolarHBondContact O-CA 3.31Å; I61-V80 HydrophobicContact CG1-CG1 4.23Å; I61-V80 HydrophobicContact CG1-CG2 4.31Å; I61-V80 HydrophobicContact CG2-CG2 4.31Å; A78-V80 HydrophobicContact CB-CG2 4.05Å |
| 81 | T | 91.4 | Very high | 82.2 | Confident | 91 Ų | 91 | 45.2 Ų | 45.2 | 56% | 0.558 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.3 | 167.1 | -58.3 | 0 | 0 | 0 | 0 | 108 | P59 T60 G83 | P59-T81 CarbonylContact C-O 3.43Å; P59-T81 VanDerWaalsContact CA-O 3.24Å; P59-T81 WeakPolarHBondContact CA-O 3.06Å; T60-T81 PolarHBondContact N-O 2.93Å; T60-T81 PolarHBondContact O-N 3.06Å; T81-G83 VanDerWaalsContact C-N 3.27Å; T81-G83 PolarHBondContact O-N 3.2Å |
| 82 | P | 85.7 | Confident | 84.1 | Confident | 25 Ų | 25 | 38.4 Ų | 38.4 | 16% | 0.162 | 23% | 0.226 | C | C | . | . | trans | -59.9 | -29.3 | -172 | -26.5 | 33 | 0 | 0 | 0 | 116 | L13 L17 Y56 | L13-P82 HydrophobicContact CD2-CG 3.71Å; L17-P82 HydrophobicContact CD1-CB 4.14Å; L17-P82 HydrophobicContact CD1-CG 3.93Å; Y56-P82 HydrophobicContact CD1-CB 3.32Å; Y56-P82 HydrophobicContact CE1-CB 3.64Å; Y56-P82 HydrophobicContact CG-CB 3.99Å | ||
| 83 | G | 87.2 | Confident | 86 | Confident | 36 Ų | 36 | 36.6 Ų | 36.6 | 37% | 0.371 | 21% | 0.207 | S | C | . | . | trans | 83.4 | -166.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T81 | T81-G83 VanDerWaalsContact C-N 3.27Å; T81-G83 PolarHBondContact O-N 3.2Å | ||
| 84 | V | 89.1 | Confident | 87.7 | Confident | 89 Ų | 89 | 32.6 Ų | 32.6 | 54% | 0.539 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -86.8 | 134.6 | 175.9 | -179 | 0 | 0 | 0 | 0 | 109.1 | H157 | V84-H157 WeakPolarHBondContact CG1-CD2 3.45Š|
| 85 | P | 93.3 | Very high | 89 | Confident | 31 Ų | 31 | 29.1 Ų | 29.1 | 20% | 0.201 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 143.6 | 176.9 | 26.2 | -31.4 | 0 | 0 | 0 | 112.3 | Y56 L87 V118 | Y56-P85 HydrophobicContact CD1-CB 4.29Å; Y56-P85 HydrophobicContact CD2-CB 4.49Å; Y56-P85 HydrophobicContact CE1-CB 3.79Å; Y56-P85 HydrophobicContact CE1-CG 4.08Å; Y56-P85 HydrophobicContact CE2-CB 3.95Å; P85-L87 HydrophobicContact CB-CD2 4.45Å; P85-L87 HydrophobicContact CG-CD2 4.35Å; P85-V118 HydrophobicContact CB-CG1 3.86Å; P85-V118 HydrophobicContact CB-CG2 4Å; P85-V118 HydrophobicContact CG-CG2 4.25Å |
| 86 | V | 94.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 130.8 | 161.5 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | G55 Y57 L119 I152 L154 H157 A159 | G55-V86 WeakPolarHBondContact O-CB 3.22Å; G55-V86 WeakPolarHBondContact O-CG2 3.16Å; G55-V86 PolarHBondContact O-N 2.99Å; Y57-V86 HydrophobicContact CD2-CB 4.39Å; Y57-V86 HydrophobicContact CD2-CG2 3.68Å; Y57-V86 HydrophobicContact CE2-CG2 4.25Å; Y57-V86 HydrophobicContact CG-CG2 4.41Å; V86-L119 HydrophobicContact CG1-CB 4.49Å; V86-L119 PolarHBondContact O-N 3.46Å; V86-I152 HydrophobicContact CG1-CG2 4.43Å; V86-I152 HydrophobicContact CG2-CG2 4.36Å; V86-L154 HydrophobicContact CG2-CD2 4.25Å; V86-H157 WeakPolarHBondContact CA-O 3.41Å; V86-A159 HydrophobicContact CG1-CB 3.64Å |
| 87 | L | 95.8 | Very high | 91 | Very high | 65 Ų | 65 | 31 Ų | 31 | 34% | 0.34 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 151.3 | 179.3 | -55.2 | -175.8 | 0 | 0 | 0 | 111.6 | P85 G89 T117 V118 H157 K158 A159 | P85-L87 HydrophobicContact CB-CD2 4.45Å; P85-L87 HydrophobicContact CG-CD2 4.35Å; L87-G89 PolarHBondContact O-N 3.19Å; L87-T117 CarbonylContact C-O 3.55Å; L87-T117 VanDerWaalsContact CA-O 3.23Å; L87-T117 WeakPolarHBondContact CA-O 3.38Å; L87-V118 HydrophobicContact CD2-CB 4.36Å; L87-V118 HydrophobicContact CD2-CG2 3.82Å; L87-H157 PolarHBondContact N-O 3.31Å; L87-K158 CarbonylContact O-C 3.48Å; L87-K158 VanDerWaalsContact O-CA 3.23Å; L87-K158 WeakPolarHBondContact O-CA 3.33Å; L87-A159 PolarHBondContact O-N 3.27Å |
| 88 | I | 94.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 120.4 | 171.4 | -58.8 | -61.2 | 0 | 0 | 0 | 109.6 | T91 P113 I115 G116 T117 L119 A159 | I88-T91 HydrophobicContact CG2-CG2 3.52Å; I88-P113 HydrophobicContact CD1-CG 4.19Å; I88-P113 HydrophobicContact CG1-CB 4.26Å; I88-P113 HydrophobicContact CG1-CG 4.15Å; I88-I115 HydrophobicContact CG2-CG1 4.36Å; I88-I115 WeakPolarHBondContact O-CG2 3.47Å; I88-G116 PolarHBondContact O-N 2.9Å; I88-T117 WeakPolarHBondContact CG1-OG1 2.83Å; I88-T117 PolarHBondContact N-O 2.88Å; I88-L119 HydrophobicContact CD1-CB 4.25Å; I88-L119 HydrophobicContact CD1-CD1 3.67Å; I88-A159 CarbonylContact C-O 3.59Å; I88-A159 HydrophobicContact CD1-CB 4.4Å |
| 89 | G | 90.7 | Very high | 91.7 | Very high | 21 Ų | 21 | 31.8 Ų | 31.8 | 22% | 0.216 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -23.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L87 A159 F160 | L87-G89 PolarHBondContact O-N 3.19Å; G89-A159 PolarHBondContact N-O 2.8Å; G89-F160 VanDerWaalsContact C-CE1 3.47Å |
| 90 | G | 92.3 | Very high | 91.8 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | 158.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F160 W161 | G90-F160 WeakPolarHBondContact O-CA 3.21Å; G90-W161 PolarHBondContact O-N 2.85Å; G90-W161 VanDerWaalsContact O-N 3.11Å |
| 91 | T | 91.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 97.7 | -170.7 | 33.9 | 0 | 0 | 0 | 0 | 112.3 | I88 R112 P113 W161 A726 | I88-T91 HydrophobicContact CG2-CG2 3.52Å; T91-R112 VanDerWaalsContact CB-CD 3.41Å; T91-R112 WeakPolarHBondContact O-CD 2.84Å; T91-R112 PolarHBondContact O-NH1 2.81Å; T91-R112 VanDerWaalsContact OG1-CD 3.25Å; T91-R112 WeakPolarHBondContact OG1-CD 3.3Å; T91-R112 PolarHBondContact OG1-NH1 3.17Å; T91-P113 HydrophobicContact CG2-CG 4.19Å; T91-W161 HydrophobicContact CG2-CB 4.3Å; T91-W161 HydrophobicContact CG2-CD2 3.77Å; T91-W161 HydrophobicContact CG2-CE3 4.25Å; T91-W161 HydrophobicContact CG2-CG 3.76Å; T91-A726 WeakPolarHBondContact O-CA 3.35Å; T91-A726 WeakPolarHBondContact O-CB 3.37Å |
| 92 | D | 92.6 | Very high | 91.8 | Very high | 74 Ų | 74 | 36.7 Ų | 36.7 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 111.2 | -148.3 | -118.9 | 44.8 | 0 | 0 | 0 | 108.2 | W161 D162 I163 E727 V728 | D92-W161 WeakPolarHBondContact CB-O 3.34Å; D92-W161 PolarHBondContact N-O 3.25Å; D92-D162 CarbonylContact O-C 3.58Å; D92-D162 VanDerWaalsContact O-CA 3.31Å; D92-D162 WeakPolarHBondContact O-CA 3.25Å; D92-I163 PolarHBondContact O-N 3.16Å; D92-E727 WeakPolarHBondContact CA-O 3.28Å; D92-V728 HydrophobicContact CB-CB 4.38Å; D92-V728 HydrophobicContact CB-CG2 3.3Å; D92-V728 WeakPolarHBondContact OD2-CG2 3.22Å |
| 93 | V | 92.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -149.5 | 112.8 | -178.8 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | F127 L131 I163 A726 E727 | V93-F127 HydrophobicContact CB-CE1 4.19Å; V93-F127 HydrophobicContact CG1-CE1 4.02Å; V93-F127 HydrophobicContact CG2-CD1 4.33Å; V93-F127 HydrophobicContact CG2-CE1 3.54Å; V93-F127 HydrophobicContact CG2-CZ 4.07Å; V93-L131 HydrophobicContact CG1-CD1 4.24Å; V93-I163 WeakPolarHBondContact CA-O 3.39Å; V93-I163 HydrophobicContact CB-CB 4.04Å; V93-I163 HydrophobicContact CG1-CB 3.99Å; V93-I163 HydrophobicContact CG1-CG2 4.09Å; V93-I163 WeakPolarHBondContact CG1-O 3.16Å; V93-I163 HydrophobicContact CG2-CB 3.55Å; V93-I163 HydrophobicContact CG2-CD1 3.78Å; V93-I163 HydrophobicContact CG2-CG1 3.87Å; V93-I163 HydrophobicContact CG2-CG2 4.28Å; V93-A726 HydrophobicContact CB-CB 3.49Å; V93-A726 VanDerWaalsContact CB-CB 3.49Å; V93-A726 HydrophobicContact CG2-CB 3.43Å; V93-A726 VanDerWaalsContact CG2-CB 3.43Å; V93-A726 CarbonylContact O-C 3.51Å; V93-E727 VanDerWaalsContact C-CA 3.41Å; V93-E727 WeakPolarHBondContact O-CA 3.13Å; V93-E727 PolarHBondContact O-N 2.91Å; V93-E727 VanDerWaalsContact O-N 3.15Å | ||
| 94 | V | 94.2 | Very high | 91.8 | Very high | 45 Ų | 45 | 44.6 Ų | 44.6 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | trans | -104.9 | 139.6 | 169.3 | 159.8 | 0 | 0 | 0 | 0 | 109.4 | Y165 E727 V728 A729 | V94-Y165 PolarHBondContact O-N 2.82Å; V94-E727 HydrophobicContact CG2-CB 3.97Å; V94-E727 HydrophobicContact CG2-CG 4.48Å; V94-V728 WeakPolarHBondContact CA-O 3.49Å; V94-V728 VanDerWaalsContact CB-O 3.25Å; V94-V728 WeakPolarHBondContact CB-O 3.07Å; V94-V728 VanDerWaalsContact CG2-N 3.35Å; V94-V728 PolarHBondContact N-O 2.92Å; V94-A729 HydrophobicContact CB-CB 3.61Å; V94-A729 HydrophobicContact CG1-CB 3.64Å | ||
| 95 | L | 94.3 | Very high | 92 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117 | 172.4 | -53.5 | 170.9 | 0 | 0 | 0 | 109.4 | A99 R100 Y105 L106 L109 L131 Y165 | L95-A99 HydrophobicContact CB-CB 3.9Å; L95-A99 HydrophobicContact CD2-CB 4.28Å; L95-A99 HydrophobicContact CG-CB 4.48Å; L95-R100 VanDerWaalsContact O-CB 3.24Å; L95-R100 WeakPolarHBondContact O-CB 3.15Å; L95-R100 WeakPolarHBondContact O-CG 2.93Å; L95-Y105 HydrophobicContact CD2-CD1 4.02Å; L95-L106 HydrophobicContact CD1-CD2 4.25Å; L95-L109 HydrophobicContact CD1-CD1 3.71Å; L95-L109 HydrophobicContact CD1-CD2 3.89Å; L95-L109 HydrophobicContact CD1-CG 3.74Å; L95-L109 HydrophobicContact CD2-CD2 4.12Å; L95-L109 HydrophobicContact CG-CD1 4.29Å; L95-L109 HydrophobicContact CG-CD2 3.96Å; L95-L109 HydrophobicContact CG-CG 4.34Å; L95-L131 HydrophobicContact CD2-CD2 3.62Å; L95-Y165 CarbonylContact C-O 3.51Å; L95-Y165 WeakPolarHBondContact CA-O 3.49Å; L95-Y165 HydrophobicContact CD2-CD1 3.98Å |
| 96 | R | 94.3 | Very high | 91.8 | Very high | 46 Ų | 46 | 42.5 Ų | 42.5 | 17% | 0.174 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 179.7 | 166.5 | -34 | -177.4 | -177 | -166.4 | 14.1 | 111.2 | D164 Y165 N166 S167 A729 E731 | R96-D164 IonicContact CZ-OD1 2.72Å; R96-D164 IonicContact CZ-OD2 3.62Å; R96-D164 IonicContact NE-OD1 2.71Å; R96-D164 PolarHBondContact NE-OD1 3.07Å; R96-D164 IonicContact NE-OD2 2.71Å; R96-D164 PolarHBondContact NE-OD2 2.99Å; R96-D164 IonicContact NH2-OD1 2.81Å; R96-D164 IonicContact NH2-OD2 3.32Å; R96-D164 PolarHBondContact NH2-OD2 2.93Å; R96-Y165 PolarHBondContact N-O 2.88Å; R96-N166 HydrophobicContact CB-CB 4.13Å; R96-N166 HydrophobicContact CG-CB 4.38Å; R96-S167 PolarHBondContact O-N 2.77Å; R96-S167 VanDerWaalsContact O-N 3.14Å; R96-S167 PolarHBondContact O-OG 3.38Å; R96-A729 HydrophobicContact CG-CB 3.99Å; R96-E731 IonicContact CZ-OE2 3.69Å; R96-E731 IonicContact NH1-OE2 2.81Å; R96-E731 PolarHBondContact NH1-OE2 3.18Å; R96-E731 IonicContact NH2-OE2 3.88Å; R96-E731 PolarHBondContact NH2-OE2 3.02Å |
| 97 | G | 91.7 | Very high | 91.4 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | 64.9 | -147.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A99 R100 G168 | G97-A99 VanDerWaalsContact C-N 3.34Å; G97-R100 WeakPolarHBondContact O-CB 3.1Å; G97-G168 WeakPolarHBondContact CA-O 3.4Å |
| 98 | G | 89.4 | Confident | 90.9 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 19% | 0.186 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -67.9 | -26.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R100 T101 D102 S167 G168 | G98-R100 PolarHBondContact O-N 2.83Å; G98-R100 VanDerWaalsContact O-N 3.16Å; G98-T101 CarbonylContact O-C 3.48Å; G98-T101 PolarHBondContact O-N 3.01Å; G98-T101 PolarHBondContact O-OG1 2.9Å; G98-D102 PolarHBondContact O-N 2.87Å; G98-S167 PolarHBondContact N-OG 2.98Å; G98-G168 PolarHBondContact N-O 2.8Å |
| 99 | A | 89.9 | Confident | 90.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -57.4 | -30.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L95 G97 T101 D102 Y105 S167 | L95-A99 HydrophobicContact CB-CB 3.9Å; L95-A99 HydrophobicContact CD2-CB 4.28Å; L95-A99 HydrophobicContact CG-CB 4.48Å; G97-A99 VanDerWaalsContact C-N 3.34Å; A99-T101 PolarHBondContact O-N 2.94Å; A99-D102 PolarHBondContact O-N 2.96Å; A99-Y105 HydrophobicContact CB-CD1 3.8Å; A99-Y105 HydrophobicContact CB-CD2 3.44Å; A99-Y105 VanDerWaalsContact CB-CD2 3.44Å; A99-Y105 HydrophobicContact CB-CE1 4.06Å; A99-Y105 HydrophobicContact CB-CE2 3.66Å; A99-Y105 HydrophobicContact CB-CG 3.48Å; A99-Y105 VanDerWaalsContact CB-CG 3.48Å; A99-S167 PolarHBondContact N-OG 2.87Å |
| 100 | R | 91.6 | Very high | 90.3 | Very high | 161 Ų | 161 | 49.6 Ų | 49.6 | 61% | 0.608 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -54.6 | -20.9 | 172.1 | -163.2 | -178.4 | 56.2 | 72.5 | 5.3 | 114.1 | L95 G97 G98 | L95-R100 VanDerWaalsContact O-CB 3.24Å; L95-R100 WeakPolarHBondContact O-CB 3.15Å; L95-R100 WeakPolarHBondContact O-CG 2.93Å; G97-R100 WeakPolarHBondContact O-CB 3.1Å; G98-R100 PolarHBondContact O-N 2.83Å; G98-R100 VanDerWaalsContact O-N 3.16Å |
| 101 | T | 90.6 | Very high | 89.9 | Confident | 90 Ų | 90 | 52.5 Ų | 52.5 | 55% | 0.552 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.9 | -6.1 | -176.6 | 44 | 0 | 0 | 0 | 0 | 113.8 | G98 A99 | G98-T101 CarbonylContact O-C 3.48Å; G98-T101 PolarHBondContact O-N 3.01Å; G98-T101 PolarHBondContact O-OG1 2.9Å; A99-T101 PolarHBondContact O-N 2.94Å |
| 102 | D | 92.1 | Very high | 89.8 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.08 | 28% | 0.277 | C | S | . | . | trans | -84.9 | 124.8 | -178.5 | -172.3 | -50.5 | 0 | 0 | 0 | 110.4 | G98 A99 D104 Y105 L106 K138 Y140 | G98-D102 PolarHBondContact O-N 2.87Å; A99-D102 PolarHBondContact O-N 2.96Å; D102-D104 PolarHBondContact O-N 2.73Å; D102-D104 PolarHBondContact OD1-N 2.75Å; D102-Y105 HydrophobicContact CB-CD2 3.93Å; D102-Y105 PolarHBondContact O-N 3.35Å; D102-L106 WeakPolarHBondContact O-CG 3.37Å; D102-L106 PolarHBondContact O-N 2.71Å; D102-K138 VanDerWaalsContact CG-NZ 3.31Å; D102-K138 IonicContact OD1-NZ 3.53Å; D102-K138 PolarHBondContact OD1-NZ 3.39Å; D102-K138 WeakPolarHBondContact OD2-CE 3.22Å; D102-K138 IonicContact OD2-NZ 2.98Å; D102-K138 PolarHBondContact OD2-NZ 2.76Å; D102-K138 VanDerWaalsContact OD2-NZ 3.1Å; D102-Y140 WeakPolarHBondContact OD2-CE2 3.16Å; D102-Y140 PolarHBondContact OD2-OH 2.78Å | ||
| 103 | K | 87.9 | Confident | 89.5 | Confident | 176 Ų | 176 | 51.9 Ų | 51.9 | 77% | 0.765 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.1 | -30.1 | -174.4 | -64.1 | 179.9 | -179.8 | 177 | 0 | 113.7 | K107 | K103-K107 VanDerWaalsContact O-CB 3.25Å; K103-K107 WeakPolarHBondContact O-CB 3.35Å; K103-K107 PolarHBondContact O-N 2.8Å |
| 104 | D | 85.4 | Confident | 89.2 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -73.7 | -41 | -177.2 | -63.9 | 16 | 0 | 0 | 0 | 110.2 | D102 L108 I134 R137 K138 | D102-D104 PolarHBondContact O-N 2.73Å; D102-D104 PolarHBondContact OD1-N 2.75Å; D104-L108 WeakPolarHBondContact O-CB 3.3Å; D104-L108 PolarHBondContact O-N 2.88Å; D104-I134 HydrophobicContact CB-CD1 4.1Å; D104-I134 HydrophobicContact CB-CG1 4.35Å; D104-I134 HydrophobicContact CB-CG2 3.83Å; D104-R137 IonicContact OD2-CZ 3.76Å; D104-R137 IonicContact OD2-NH2 3.91Å; D104-R137 PolarHBondContact OD2-NH2 2.7Å; D104-K138 HydrophobicContact CB-CD 4.32Å; D104-K138 IonicContact OD1-NZ 2.99Å; D104-K138 PolarHBondContact OD1-NZ 2.78Å; D104-K138 VanDerWaalsContact OD1-NZ 3.11Å; D104-K138 WeakPolarHBondContact OD2-CD 3.42Å; D104-K138 IonicContact OD2-NZ 3.45Å; D104-K138 PolarHBondContact OD2-NZ 2.88Å |
| 105 | Y | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.2 | -45.5 | 175.9 | -80.7 | -78.5 | 0 | 0 | 0 | 111.6 | L95 A99 D102 K107 L108 L109 L131 I134 A135 Y140 Y165 | L95-Y105 HydrophobicContact CD2-CD1 4.02Å; A99-Y105 HydrophobicContact CB-CD1 3.8Å; A99-Y105 HydrophobicContact CB-CD2 3.44Å; A99-Y105 VanDerWaalsContact CB-CD2 3.44Å; A99-Y105 HydrophobicContact CB-CE1 4.06Å; A99-Y105 HydrophobicContact CB-CE2 3.66Å; A99-Y105 HydrophobicContact CB-CG 3.48Å; A99-Y105 VanDerWaalsContact CB-CG 3.48Å; D102-Y105 HydrophobicContact CB-CD2 3.93Å; D102-Y105 PolarHBondContact O-N 3.35Å; Y105-K107 VanDerWaalsContact C-N 3.29Å; Y105-K107 PolarHBondContact O-N 2.92Å; Y105-L108 WeakPolarHBondContact O-CB 3.17Å; Y105-L108 PolarHBondContact O-N 2.82Å; Y105-L108 VanDerWaalsContact O-N 3.08Å; Y105-L109 PolarHBondContact O-N 2.87Å; Y105-L131 HydrophobicContact CD1-CD2 3.67Å; Y105-L131 HydrophobicContact CE1-CB 4.3Å; Y105-L131 HydrophobicContact CE1-CD2 3.89Å; Y105-L131 WeakPolarHBondContact CE1-O 3.49Å; Y105-L131 PolarHBondContact OH-O 2.74Å; Y105-I134 HydrophobicContact CD1-CB 4.43Å; Y105-I134 HydrophobicContact CD1-CD1 4.27Å; Y105-I134 HydrophobicContact CD1-CG2 4.37Å; Y105-I134 HydrophobicContact CD2-CB 4.38Å; Y105-I134 HydrophobicContact CD2-CG2 3.5Å; Y105-I134 VanDerWaalsContact CD2-CG2 3.5Å; Y105-I134 HydrophobicContact CE1-CB 4.06Å; Y105-I134 HydrophobicContact CE1-CG2 4.2Å; Y105-I134 HydrophobicContact CE2-CB 4.06Å; Y105-I134 HydrophobicContact CE2-CG2 3.35Å; Y105-I134 HydrophobicContact CG-CD1 4.4Å; Y105-I134 HydrophobicContact CG-CG2 4.05Å; Y105-A135 WeakPolarHBondContact OH-CA 2.96Å; Y105-A135 WeakPolarHBondContact OH-CB 3.29Å; Y105-A135 PolarHBondContact OH-N 2.82Å; Y105-A135 VanDerWaalsContact OH-N 3.1Å; Y105-Y140 HydrophobicContact CD2-CE2 4.43Å; Y105-Y140 AromaticContact CE2-CD2 3.68Å; Y105-Y140 HydrophobicContact CE2-CD2 3.68Å; Y105-Y140 AromaticContact CE2-CE2 3.76Å; Y105-Y140 HydrophobicContact CE2-CE2 3.76Å; Y105-Y140 HydrophobicContact CE2-CG 4.4Å; Y105-Y165 HydrophobicContact CD1-CE1 4.33Å; Y105-Y165 HydrophobicContact CE1-CD1 4.23Å; Y105-Y165 AromaticContact CE1-CE1 3.45Å; Y105-Y165 HydrophobicContact CE1-CE1 3.45Å; Y105-Y165 VanDerWaalsContact CE1-CE1 3.45Å; Y105-Y165 AromaticContact CZ-CE1 3.85Å; Y105-Y165 PolarHBondContact OH-OH 2.8Å; Y105-Y165 VanDerWaalsContact OH-OH 3.14Å |
| 106 | L | 90.5 | Very high | 88.7 | Confident | 76 Ų | 76 | 58.3 Ų | 58.3 | 40% | 0.398 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 177 | -67.3 | 171.3 | 0 | 0 | 0 | 111.8 | L95 D102 L109 | L95-L106 HydrophobicContact CD1-CD2 4.25Å; D102-L106 WeakPolarHBondContact O-CG 3.37Å; D102-L106 PolarHBondContact O-N 2.71Å; L106-L109 WeakPolarHBondContact O-CB 3.1Å |
| 107 | K | 84.3 | Confident | 88.5 | Confident | 154 Ų | 154 | 58.9 Ų | 58.9 | 67% | 0.67 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -72.8 | -31 | 172.7 | -175.7 | -177.6 | 175.8 | -171.1 | 0 | 113.1 | K103 Y105 L109 D110 | K103-K107 VanDerWaalsContact O-CB 3.25Å; K103-K107 WeakPolarHBondContact O-CB 3.35Å; K103-K107 PolarHBondContact O-N 2.8Å; Y105-K107 VanDerWaalsContact C-N 3.29Å; Y105-K107 PolarHBondContact O-N 2.92Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-D110 VanDerWaalsContact O-CB 3.31Å; K107-D110 WeakPolarHBondContact O-CB 2.83Å; K107-D110 PolarHBondContact O-N 3.43Å |
| 108 | L | 86.8 | Confident | 88.6 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 9% | 0.094 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.6 | -34.7 | 174.5 | 173.6 | 63.1 | 0 | 0 | 0 | 111.4 | D104 Y105 D110 T111 L131 I134 | D104-L108 WeakPolarHBondContact O-CB 3.3Å; D104-L108 PolarHBondContact O-N 2.88Å; Y105-L108 WeakPolarHBondContact O-CB 3.17Å; Y105-L108 PolarHBondContact O-N 2.82Å; Y105-L108 VanDerWaalsContact O-N 3.08Å; L108-D110 PolarHBondContact O-N 3.1Å; L108-D110 VanDerWaalsContact O-N 3.08Å; L108-T111 HydrophobicContact CD1-CG2 4.15Å; L108-T111 WeakPolarHBondContact CD1-OG1 3.37Å; L108-T111 WeakPolarHBondContact O-CB 3.27Å; L108-T111 PolarHBondContact O-N 2.87Å; L108-T111 PolarHBondContact O-OG1 2.72Å; L108-L131 HydrophobicContact CD2-CB 4.42Å; L108-L131 HydrophobicContact CD2-CD2 3.82Å; L108-L131 HydrophobicContact CD2-CG 3.94Å; L108-L131 VanDerWaalsContact CD2-N 3.27Å; L108-I134 HydrophobicContact CB-CD1 3.78Å; L108-I134 HydrophobicContact CD2-CD1 3.62Å; L108-I134 HydrophobicContact CG-CD1 4.31Å |
| 109 | L | 87.2 | Confident | 88.7 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -49.8 | -39.4 | 176.6 | -68 | -174.4 | 0 | 0 | 0 | 110.2 | L95 Y105 L106 K107 T111 F127 K724 V725 | L95-L109 HydrophobicContact CD1-CD1 3.71Å; L95-L109 HydrophobicContact CD1-CD2 3.89Å; L95-L109 HydrophobicContact CD1-CG 3.74Å; L95-L109 HydrophobicContact CD2-CD2 4.12Å; L95-L109 HydrophobicContact CG-CD1 4.29Å; L95-L109 HydrophobicContact CG-CD2 3.96Å; L95-L109 HydrophobicContact CG-CG 4.34Å; Y105-L109 PolarHBondContact O-N 2.87Å; L106-L109 WeakPolarHBondContact O-CB 3.1Å; K107-L109 VanDerWaalsContact C-N 3.29Å; L109-T111 PolarHBondContact O-N 3.24Å; L109-F127 HydrophobicContact CD2-CZ 3.86Å; L109-F127 WeakPolarHBondContact O-CE2 3.32Å; L109-K724 CarbonylContact C-O 3.54Å; L109-K724 CarbonylContact O-C 3.53Å; L109-V725 HydrophobicContact CB-CB 4.01Å; L109-V725 HydrophobicContact CB-CG1 3.54Å; L109-V725 HydrophobicContact CB-CG2 4.14Å; L109-V725 HydrophobicContact CD1-CG1 3.61Å; L109-V725 HydrophobicContact CG-CG1 4.22Å; L109-V725 VanDerWaalsContact O-CA 3.26Å; L109-V725 WeakPolarHBondContact O-CA 3.1Å |
| 110 | D | 85 | Confident | 88.9 | Confident | 54 Ų | 54 | 61 Ų | 61 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 5.1 | 175.6 | -64.7 | -61.9 | 0 | 0 | 0 | 115.1 | K107 L108 P723 K724 V725 | K107-D110 VanDerWaalsContact O-CB 3.31Å; K107-D110 WeakPolarHBondContact O-CB 2.83Å; K107-D110 PolarHBondContact O-N 3.43Å; L108-D110 PolarHBondContact O-N 3.1Å; L108-D110 VanDerWaalsContact O-N 3.08Å; D110-P723 HydrophobicContact CB-CG 4.07Å; D110-P723 CarbonylContact O-C 3.58Å; D110-P723 WeakPolarHBondContact O-CB 3.46Å; D110-P723 VanDerWaalsContact O-CG 3.24Å; D110-P723 WeakPolarHBondContact O-CG 3.35Å; D110-K724 CarbonylContact C-O 3.6Å; D110-K724 VanDerWaalsContact CA-C 3.45Å; D110-K724 VanDerWaalsContact CA-O 3.22Å; D110-K724 WeakPolarHBondContact CA-O 3.27Å; D110-K724 PolarHBondContact O-N 3.05Å; D110-V725 HydrophobicContact CB-CG2 4.29Å; D110-V725 WeakPolarHBondContact OD1-CG2 3.31Å |
| 111 | T | 84.5 | Confident | 88.9 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -106.1 | 11 | -177.2 | 61.5 | 0 | 0 | 0 | 0 | 115.5 | L108 L109 F127 K724 | L108-T111 HydrophobicContact CD1-CG2 4.15Å; L108-T111 WeakPolarHBondContact CD1-OG1 3.37Å; L108-T111 WeakPolarHBondContact O-CB 3.27Å; L108-T111 PolarHBondContact O-N 2.87Å; L108-T111 PolarHBondContact O-OG1 2.72Å; L109-T111 PolarHBondContact O-N 3.24Å; T111-F127 VanDerWaalsContact OG1-CD2 3.24Å; T111-F127 WeakPolarHBondContact OG1-CD2 3.34Å; T111-K724 PolarHBondContact N-O 2.9Å |
| 112 | R | 88.7 | Confident | 88.7 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 19% | 0.189 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 152.2 | 174.9 | -65.4 | -166.1 | -75.5 | -160.3 | -0.7 | 113.6 | T91 F127 K724 V725 A726 D788 | T91-R112 VanDerWaalsContact CB-CD 3.41Å; T91-R112 WeakPolarHBondContact O-CD 2.84Å; T91-R112 PolarHBondContact O-NH1 2.81Å; T91-R112 VanDerWaalsContact OG1-CD 3.25Å; T91-R112 WeakPolarHBondContact OG1-CD 3.3Å; T91-R112 PolarHBondContact OG1-NH1 3.17Å; R112-F127 HydrophobicContact CG-CE2 4.45Å; R112-K724 HydrophobicContact CB-CB 3.95Å; R112-K724 WeakPolarHBondContact CB-O 3.27Å; R112-K724 VanDerWaalsContact CG-O 3.23Å; R112-K724 WeakPolarHBondContact CG-O 3.12Å; R112-K724 PolarHBondContact N-O 3Å; R112-V725 PolarHBondContact NE-O 2.69Å; R112-V725 PolarHBondContact NH1-O 2.84Å; R112-V725 PolarHBondContact NH2-O 3.49Å; R112-A726 HydrophobicContact CG-CB 3.79Å; R112-D788 IonicContact CZ-OD1 3.4Å; R112-D788 IonicContact NE-OD1 3.19Å; R112-D788 IonicContact NH2-OD1 2.72Å; R112-D788 PolarHBondContact NH2-OD1 2.89Å |
| 113 | P | 86.2 | Confident | 88.5 | Confident | 13 Ų | 13 | 51.9 Ų | 51.9 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -69 | 152.6 | 153.9 | 33.6 | -35.5 | 0 | 0 | 0 | 111.3 | I88 T91 W161 | I88-P113 HydrophobicContact CD1-CG 4.19Å; I88-P113 HydrophobicContact CG1-CB 4.26Å; I88-P113 HydrophobicContact CG1-CG 4.15Å; T91-P113 HydrophobicContact CG2-CG 4.19Å; P113-W161 HydrophobicContact CG-CH2 3.91Å; P113-W161 HydrophobicContact CG-CZ2 3.36Å |
| 114 | A | 86.5 | Confident | 88.7 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 24% | 0.24 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -81.4 | 143.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G116 T117 K724 | A114-G116 PolarHBondContact O-N 2.74Å; A114-T117 HydrophobicContact CB-CG2 4.16Å; A114-T117 WeakPolarHBondContact O-CG2 3.09Å; A114-T117 PolarHBondContact O-N 2.81Å; A114-T117 PolarHBondContact O-OG1 2.86Å; A114-T117 VanDerWaalsContact O-OG1 3.04Å; A114-K724 HydrophobicContact CB-CD 3.77Å |
| 115 | I | 89.9 | Confident | 88.7 | Confident | 110 Ų | 110 | 43.1 Ų | 43.1 | 56% | 0.564 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 127.5 | 168.5 | -60.7 | 175.5 | 0 | 0 | 0 | 109.2 | I88 | I88-I115 HydrophobicContact CG2-CG1 4.36Å; I88-I115 WeakPolarHBondContact O-CG2 3.47Å |
| 116 | G | 88.2 | Confident | 88.3 | Confident | 48 Ų | 48 | 47.3 Ų | 47.3 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | -11.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.9 | I88 A114 | I88-G116 PolarHBondContact O-N 2.9Å; A114-G116 PolarHBondContact O-N 2.74Å |
| 117 | T | 90.7 | Very high | 88.3 | Confident | 58 Ų | 58 | 43.9 Ų | 43.9 | 36% | 0.356 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -71.2 | 157.4 | 169.7 | 63 | 0 | 0 | 0 | 0 | 110.8 | L87 I88 A114 | L87-T117 CarbonylContact C-O 3.55Å; L87-T117 VanDerWaalsContact CA-O 3.23Å; L87-T117 WeakPolarHBondContact CA-O 3.38Å; I88-T117 WeakPolarHBondContact CG1-OG1 2.83Å; I88-T117 PolarHBondContact N-O 2.88Å; A114-T117 HydrophobicContact CB-CG2 4.16Å; A114-T117 WeakPolarHBondContact O-CG2 3.09Å; A114-T117 PolarHBondContact O-N 2.81Å; A114-T117 PolarHBondContact O-OG1 2.86Å; A114-T117 VanDerWaalsContact O-OG1 3.04Å |
| 118 | V | 91.9 | Very high | 88.7 | Confident | 58 Ų | 58 | 37.8 Ų | 37.8 | 35% | 0.352 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -59.7 | 140.1 | 165.9 | 178.5 | 0 | 0 | 0 | 0 | 109 | L54 Y56 P85 L87 N120 | L54-V118 WeakPolarHBondContact O-CG1 3.28Å; Y56-V118 HydrophobicContact CE2-CG1 4.24Å; P85-V118 HydrophobicContact CB-CG1 3.86Å; P85-V118 HydrophobicContact CB-CG2 4Å; P85-V118 HydrophobicContact CG-CG2 4.25Å; L87-V118 HydrophobicContact CD2-CB 4.36Å; L87-V118 HydrophobicContact CD2-CG2 3.82Å; V118-N120 PolarHBondContact O-N 2.82Å |
| 119 | L | 93.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 125 | 173.7 | 170.1 | 64.2 | 0 | 0 | 0 | 110.1 | L54 G55 Y57 V86 I88 Q121 L150 I152 A159 | L54-L119 CarbonylContact C-O 3.28Å; L54-L119 WeakPolarHBondContact CA-O 3.4Å; G55-L119 PolarHBondContact N-O 3.32Å; G55-L119 VanDerWaalsContact N-O 3.1Å; Y57-L119 HydrophobicContact CE2-CD2 4.07Å; V86-L119 HydrophobicContact CG1-CB 4.49Å; V86-L119 PolarHBondContact O-N 3.46Å; I88-L119 HydrophobicContact CD1-CB 4.25Å; I88-L119 HydrophobicContact CD1-CD1 3.67Å; L119-Q121 HydrophobicContact CD1-CG 4.32Å; L119-Q121 HydrophobicContact CD2-CG 4.09Å; L119-Q121 HydrophobicContact CG-CG 4.11Å; L119-L150 HydrophobicContact CD1-CD1 3.98Å; L119-L150 HydrophobicContact CD1-CD2 4.22Å; L119-L150 HydrophobicContact CD2-CD2 4.42Å; L119-I152 HydrophobicContact CD2-CD1 3.49Å; L119-I152 VanDerWaalsContact CD2-CD1 3.49Å; L119-A159 HydrophobicContact CB-CB 4.13Å; L119-A159 HydrophobicContact CD1-CB 4.09Å; L119-A159 HydrophobicContact CD2-CB 3.8Å; L119-A159 HydrophobicContact CG-CB 4.22Å |
| 120 | N | 92.5 | Very high | 88.3 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 20% | 0.198 | 25% | 0.25 | C | C | . | . | trans | -120.4 | 114 | 166.2 | 171.9 | 16.9 | 0 | 0 | 0 | 107.6 | V118 G122 D123 V1541 | V118-N120 PolarHBondContact O-N 2.82Å; N120-G122 PolarHBondContact O-N 3.35Å; N120-G122 PolarHBondContact OD1-N 2.87Å; N120-G122 VanDerWaalsContact OD1-N 3.09Å; N120-D123 VanDerWaalsContact CB-OD2 3.31Å; N120-D123 WeakPolarHBondContact CB-OD2 3.48Å; N120-D123 PolarHBondContact ND2-OD1 3.1Å; N120-D123 PolarHBondContact ND2-OD2 3.43Å; N120-D123 PolarHBondContact O-N 3.39Å; N120-V1541 WeakPolarHBondContact OD1-CG1 3.4Å | ||
| 121 | Q | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.5 | -17.4 | -177 | -58 | -165.8 | 42.7 | 0 | 0 | 112.2 | K52 A53 Y57 L119 D123 Y124 E125 L150 V1547 | K52-Q121 VanDerWaalsContact C-NE2 3.29Å; K52-Q121 PolarHBondContact O-NE2 3.14Å; A53-Q121 PolarHBondContact O-N 2.86Å; Y57-Q121 PolarHBondContact OH-NE2 2.76Å; L119-Q121 HydrophobicContact CD1-CG 4.32Å; L119-Q121 HydrophobicContact CD2-CG 4.09Å; L119-Q121 HydrophobicContact CG-CG 4.11Å; Q121-D123 VanDerWaalsContact C-N 3.33Å; Q121-Y124 WeakPolarHBondContact O-CB 3.23Å; Q121-Y124 PolarHBondContact O-N 3.09Å; Q121-E125 WeakPolarHBondContact O-CG 3.48Å; Q121-E125 PolarHBondContact O-N 2.91Å; Q121-L150 HydrophobicContact CG-CD2 3.92Å; Q121-V1547 VanDerWaalsContact OE1-CG2 3.31Å |
| 122 | G | 86 | Confident | 88.5 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 12% | 0.124 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -35 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N120 Y124 E125 N126 | N120-G122 PolarHBondContact O-N 3.35Å; N120-G122 PolarHBondContact OD1-N 2.87Å; N120-G122 VanDerWaalsContact OD1-N 3.09Å; G122-Y124 VanDerWaalsContact C-N 3.34Å; G122-E125 PolarHBondContact O-N 2.68Å; G122-N126 WeakPolarHBondContact O-CB 2.91Å; G122-N126 PolarHBondContact O-N 3.32Å; G122-N126 PolarHBondContact O-ND2 2.71Å |
| 123 | D | 88.1 | Confident | 88 | Confident | 62 Ų | 62 | 37.2 Ų | 37.2 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.3 | -38.4 | 177.6 | -58.6 | -23.8 | 0 | 0 | 0 | 110.3 | N120 Q121 F127 W161 | N120-D123 VanDerWaalsContact CB-OD2 3.31Å; N120-D123 WeakPolarHBondContact CB-OD2 3.48Å; N120-D123 PolarHBondContact ND2-OD1 3.1Å; N120-D123 PolarHBondContact ND2-OD2 3.43Å; N120-D123 PolarHBondContact O-N 3.39Å; Q121-D123 VanDerWaalsContact C-N 3.33Å; D123-F127 VanDerWaalsContact O-CB 3.25Å; D123-F127 WeakPolarHBondContact O-CB 3.48Å; D123-F127 PolarHBondContact O-N 2.67Å; D123-W161 HydrophobicContact CB-CH2 4.45Å; D123-W161 HydrophobicContact CB-CZ2 4.22Å; D123-W161 WeakPolarHBondContact O-CH2 3.19Å |
| 124 | Y | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -50.8 | 173.9 | 178 | -87.6 | 0 | 0 | 0 | 112 | Q121 G122 N126 F127 K128 Q149 L150 W161 I163 S1544 D1546 | Q121-Y124 WeakPolarHBondContact O-CB 3.23Å; Q121-Y124 PolarHBondContact O-N 3.09Å; G122-Y124 VanDerWaalsContact C-N 3.34Å; Y124-N126 PolarHBondContact O-N 2.71Å; Y124-F127 PolarHBondContact O-N 3.37Å; Y124-K128 HydrophobicContact CD1-CD 4.14Å; Y124-K128 HydrophobicContact CE1-CD 3.45Å; Y124-K128 VanDerWaalsContact CE1-CD 3.45Å; Y124-K128 HydrophobicContact CE1-CG 4.39Å; Y124-K128 PolarHBondContact O-N 2.95Å; Y124-Q149 PolarHBondContact OH-N 3.01Å; Y124-L150 HydrophobicContact CD1-CD2 4.46Å; Y124-L150 HydrophobicContact CD2-CB 4.26Å; Y124-L150 HydrophobicContact CD2-CD1 4.11Å; Y124-L150 HydrophobicContact CD2-CD2 4.44Å; Y124-L150 HydrophobicContact CE1-CB 4.44Å; Y124-L150 HydrophobicContact CE2-CB 3.9Å; Y124-L150 HydrophobicContact CE2-CD1 4.43Å; Y124-L150 HydrophobicContact CG-CD2 4.25Å; Y124-W161 HydrophobicContact CD2-CB 4.22Å; Y124-W161 AromaticContact CD2-CD1 3.75Å; Y124-W161 AromaticContact CD2-CD2 3.68Å; Y124-W161 HydrophobicContact CD2-CD2 3.68Å; Y124-W161 AromaticContact CD2-CE2 3.75Å; Y124-W161 HydrophobicContact CD2-CE3 4.29Å; Y124-W161 AromaticContact CD2-CG 3.65Å; Y124-W161 HydrophobicContact CD2-CG 3.65Å; Y124-W161 HydrophobicContact CD2-CZ2 4.35Å; Y124-W161 AromaticContact CD2-NE1 3.8Å; Y124-W161 HydrophobicContact CE2-CB 4.21Å; Y124-W161 HydrophobicContact CE2-CD2 4.46Å; Y124-W161 HydrophobicContact CE2-CG 4.14Å; Y124-W161 VanDerWaalsContact N-CZ2 3.33Å; Y124-I163 HydrophobicContact CD2-CD1 4Å; Y124-I163 HydrophobicContact CE2-CD1 3.43Å; Y124-I163 VanDerWaalsContact CE2-CD1 3.43Å; Y124-I163 HydrophobicContact CE2-CG1 3.96Å; Y124-S1544 WeakPolarHBondContact CE1-OG 3.17Å; Y124-D1546 HydrophobicContact CE1-CB 3.79Å; Y124-D1546 VanDerWaalsContact CE1-OD2 3.26Å; Y124-D1546 WeakPolarHBondContact CE1-OD2 3.45Å; Y124-D1546 VanDerWaalsContact OH-CB 3.26Å; Y124-D1546 WeakPolarHBondContact OH-CB 3.31Å; Y124-D1546 PolarHBondContact OH-OD2 3.07Å |
| 125 | E | 86.4 | Confident | 88 | Confident | 42 Ų | 42 | 35.7 Ų | 35.7 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 178.9 | -73.9 | -60.8 | 142.3 | 0 | 0 | 112.5 | Q121 G122 K128 K129 S1544 | Q121-E125 WeakPolarHBondContact O-CG 3.48Å; Q121-E125 PolarHBondContact O-N 2.91Å; G122-E125 PolarHBondContact O-N 2.68Å; E125-K128 PolarHBondContact O-N 3.22Å; E125-K129 WeakPolarHBondContact O-CB 3.4Å; E125-K129 WeakPolarHBondContact O-CD 3.06Å; E125-K129 WeakPolarHBondContact O-CG 3.44Å; E125-K129 PolarHBondContact O-N 2.69Å; E125-S1544 WeakPolarHBondContact OE1-CB 3.19Å; E125-S1544 PolarHBondContact OE1-OG 2.84Å |
| 126 | N | 83.6 | Confident | 87.5 | Confident | 88 Ų | 88 | 31.4 Ų | 31.4 | 47% | 0.471 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -68.4 | -38.7 | 178 | -69.9 | -16.9 | 0 | 0 | 0 | 111.9 | G122 Y124 K129 S130 | G122-N126 WeakPolarHBondContact O-CB 2.91Å; G122-N126 PolarHBondContact O-N 3.32Å; G122-N126 PolarHBondContact O-ND2 2.71Å; Y124-N126 PolarHBondContact O-N 2.71Å; N126-K129 PolarHBondContact O-N 2.71Å; N126-S130 WeakPolarHBondContact O-CB 3.2Å; N126-S130 PolarHBondContact O-N 3.11Å; N126-S130 PolarHBondContact O-OG 3.07Å |
| 127 | F | 91 | Very high | 87.2 | Confident | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.8 | -49.9 | 173.8 | -172.4 | -83.9 | 0 | 0 | 0 | 111.3 | V93 L109 T111 R112 D123 Y124 K129 S130 L131 W161 A726 | V93-F127 HydrophobicContact CB-CE1 4.19Å; V93-F127 HydrophobicContact CG1-CE1 4.02Å; V93-F127 HydrophobicContact CG2-CD1 4.33Å; V93-F127 HydrophobicContact CG2-CE1 3.54Å; V93-F127 HydrophobicContact CG2-CZ 4.07Å; L109-F127 HydrophobicContact CD2-CZ 3.86Å; L109-F127 WeakPolarHBondContact O-CE2 3.32Å; T111-F127 VanDerWaalsContact OG1-CD2 3.24Å; T111-F127 WeakPolarHBondContact OG1-CD2 3.34Å; R112-F127 HydrophobicContact CG-CE2 4.45Å; D123-F127 VanDerWaalsContact O-CB 3.25Å; D123-F127 WeakPolarHBondContact O-CB 3.48Å; D123-F127 PolarHBondContact O-N 2.67Å; Y124-F127 PolarHBondContact O-N 3.37Å; F127-K129 PolarHBondContact O-N 2.87Å; F127-S130 PolarHBondContact O-N 3.43Å; F127-L131 HydrophobicContact CD1-CD1 4.1Å; F127-L131 HydrophobicContact CD1-CG 4.45Å; F127-L131 HydrophobicContact CE1-CD1 3.88Å; F127-L131 HydrophobicContact CE1-CG 4.25Å; F127-L131 PolarHBondContact O-N 3.04Å; F127-L131 VanDerWaalsContact O-N 3.15Å; F127-W161 HydrophobicContact CB-CH2 3.89Å; F127-W161 HydrophobicContact CB-CZ3 3.76Å; F127-W161 HydrophobicContact CD1-CZ3 4.03Å; F127-W161 HydrophobicContact CD2-CH2 4.5Å; F127-W161 AromaticContact CD2-CZ3 3.92Å; F127-W161 HydrophobicContact CD2-CZ3 3.92Å; F127-W161 HydrophobicContact CG-CH2 4.24Å; F127-W161 AromaticContact CG-CZ3 3.64Å; F127-W161 HydrophobicContact CG-CZ3 3.64Å; F127-A726 HydrophobicContact CZ-CB 4.31Å |
| 128 | K | 90.9 | Very high | 87.1 | Confident | 27 Ų | 27 | 30.2 Ų | 30.2 | 12% | 0.117 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.4 | -47.9 | 175.1 | -79 | -176.9 | 65.3 | -161.4 | 0 | 112.7 | Y124 E125 S130 L131 T132 F145 A148 I163 D1546 | Y124-K128 HydrophobicContact CD1-CD 4.14Å; Y124-K128 HydrophobicContact CE1-CD 3.45Å; Y124-K128 VanDerWaalsContact CE1-CD 3.45Å; Y124-K128 HydrophobicContact CE1-CG 4.39Å; Y124-K128 PolarHBondContact O-N 2.95Å; E125-K128 PolarHBondContact O-N 3.22Å; K128-S130 PolarHBondContact O-N 2.97Å; K128-L131 WeakPolarHBondContact O-CB 3.47Å; K128-L131 PolarHBondContact O-N 2.78Å; K128-L131 VanDerWaalsContact O-N 3.14Å; K128-T132 PolarHBondContact O-N 2.86Å; K128-T132 PolarHBondContact O-OG1 2.68Å; K128-F145 HydrophobicContact CB-CE1 4.42Å; K128-F145 HydrophobicContact CB-CZ 3.94Å; K128-F145 HydrophobicContact CD-CE1 4.47Å; K128-F145 HydrophobicContact CG-CE1 3.9Å; K128-F145 HydrophobicContact CG-CZ 3.91Å; K128-A148 HydrophobicContact CD-CB 4.46Å; K128-I163 HydrophobicContact CG-CD1 4.14Å; K128-D1546 WeakPolarHBondContact CD-OD2 3.34Å; K128-D1546 WeakPolarHBondContact CE-OD2 3.18Å; K128-D1546 IonicContact NZ-OD1 2.72Å; K128-D1546 PolarHBondContact NZ-OD1 2.88Å; K128-D1546 IonicContact NZ-OD2 2.77Å; K128-D1546 PolarHBondContact NZ-OD2 2.94Å |
| 129 | K | 82.2 | Confident | 86.9 | Confident | 109 Ų | 109 | 27.5 Ų | 27.5 | 47% | 0.474 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.1 | -38.2 | 177.3 | -73.9 | 167.3 | -169.6 | 171.1 | 0 | 112.1 | E125 N126 F127 T132 S133 | E125-K129 WeakPolarHBondContact O-CB 3.4Å; E125-K129 WeakPolarHBondContact O-CD 3.06Å; E125-K129 WeakPolarHBondContact O-CG 3.44Å; E125-K129 PolarHBondContact O-N 2.69Å; N126-K129 PolarHBondContact O-N 2.71Å; F127-K129 PolarHBondContact O-N 2.87Å; K129-T132 PolarHBondContact O-N 2.91Å; K129-S133 VanDerWaalsContact O-CB 3.32Å; K129-S133 WeakPolarHBondContact O-CB 3.28Å; K129-S133 PolarHBondContact O-N 2.89Å |
| 130 | S | 85.2 | Confident | 86.8 | Confident | 45 Ų | 45 | 28 Ų | 28 | 32% | 0.315 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -68.3 | -35.1 | 179 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | N126 F127 K128 S133 I134 | N126-S130 WeakPolarHBondContact O-CB 3.2Å; N126-S130 PolarHBondContact O-N 3.11Å; N126-S130 PolarHBondContact O-OG 3.07Å; F127-S130 PolarHBondContact O-N 3.43Å; K128-S130 PolarHBondContact O-N 2.97Å; S130-S133 PolarHBondContact O-N 2.95Å; S130-I134 VanDerWaalsContact O-CG1 3.29Å; S130-I134 WeakPolarHBondContact O-CG1 3.36Å; S130-I134 PolarHBondContact O-N 3.26Å |
| 131 | L | 89.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.3 | -49.6 | 172.2 | -68.3 | 169.7 | 0 | 0 | 0 | 110.9 | V93 L95 Y105 L108 F127 K128 I134 A135 F145 Y165 | V93-L131 HydrophobicContact CG1-CD1 4.24Å; L95-L131 HydrophobicContact CD2-CD2 3.62Å; Y105-L131 HydrophobicContact CD1-CD2 3.67Å; Y105-L131 HydrophobicContact CE1-CB 4.3Å; Y105-L131 HydrophobicContact CE1-CD2 3.89Å; Y105-L131 WeakPolarHBondContact CE1-O 3.49Å; Y105-L131 PolarHBondContact OH-O 2.74Å; L108-L131 HydrophobicContact CD2-CB 4.42Å; L108-L131 HydrophobicContact CD2-CD2 3.82Å; L108-L131 HydrophobicContact CD2-CG 3.94Å; L108-L131 VanDerWaalsContact CD2-N 3.27Å; F127-L131 HydrophobicContact CD1-CD1 4.1Å; F127-L131 HydrophobicContact CD1-CG 4.45Å; F127-L131 HydrophobicContact CE1-CD1 3.88Å; F127-L131 HydrophobicContact CE1-CG 4.25Å; F127-L131 PolarHBondContact O-N 3.04Å; F127-L131 VanDerWaalsContact O-N 3.15Å; K128-L131 WeakPolarHBondContact O-CB 3.47Å; K128-L131 PolarHBondContact O-N 2.78Å; K128-L131 VanDerWaalsContact O-N 3.14Å; L131-I134 PolarHBondContact O-N 3Å; L131-A135 PolarHBondContact O-N 3.29Å; L131-F145 HydrophobicContact CB-CZ 4.21Å; L131-F145 HydrophobicContact CD1-CE1 3.65Å; L131-F145 HydrophobicContact CD1-CZ 3.93Å; L131-Y165 HydrophobicContact CB-CD2 4.33Å; L131-Y165 HydrophobicContact CB-CE1 4.29Å; L131-Y165 HydrophobicContact CB-CE2 4.04Å; L131-Y165 HydrophobicContact CD1-CD2 4.16Å; L131-Y165 HydrophobicContact CD1-CG 4.04Å; L131-Y165 HydrophobicContact CD2-CD1 4.21Å; L131-Y165 HydrophobicContact CD2-CE1 4.47Å; L131-Y165 PolarHBondContact O-OH 2.78Å |
| 132 | T | 82.5 | Confident | 86 | Confident | 25 Ų | 25 | 28.5 Ų | 28.5 | 15% | 0.153 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -38.1 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | K128 K129 A135 L136 Q1600 | K128-T132 PolarHBondContact O-N 2.86Å; K128-T132 PolarHBondContact O-OG1 2.68Å; K129-T132 PolarHBondContact O-N 2.91Å; T132-A135 VanDerWaalsContact O-CB 3.27Å; T132-A135 WeakPolarHBondContact O-CB 3.22Å; T132-A135 PolarHBondContact O-N 2.77Å; T132-A135 VanDerWaalsContact O-N 3.16Å; T132-L136 HydrophobicContact CG2-CD1 3.9Å; T132-L136 HydrophobicContact CG2-CG 4.4Å; T132-L136 WeakPolarHBondContact O-CG 3.35Å; T132-L136 PolarHBondContact O-N 2.78Å; T132-Q1600 VanDerWaalsContact CG2-O 3.25Å; T132-Q1600 WeakPolarHBondContact CG2-O 3.01Å |
| 133 | S | 79.1 | Confident | 86 | Confident | 15 Ų | 15 | 28 Ų | 28 | 11% | 0.105 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 175.9 | 170 | 0 | 0 | 0 | 0 | 111.4 | K129 S130 A135 L136 R137 Q1637 | K129-S133 VanDerWaalsContact O-CB 3.32Å; K129-S133 WeakPolarHBondContact O-CB 3.28Å; K129-S133 PolarHBondContact O-N 2.89Å; S130-S133 PolarHBondContact O-N 2.95Å; S133-A135 PolarHBondContact O-N 3.43Å; S133-L136 PolarHBondContact O-N 2.78Å; S133-R137 WeakPolarHBondContact O-CB 2.93Å; S133-R137 PolarHBondContact O-N 2.77Å; S133-Q1637 PolarHBondContact OG-NE2 2.95Å; S133-Q1637 PolarHBondContact OG-OE1 2.73Å |
| 134 | I | 86.1 | Confident | 85.9 | Confident | 10 Ų | 10 | 28 Ų | 28 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -35.4 | 174.9 | -61.1 | 165.3 | 0 | 0 | 0 | 110.3 | D104 Y105 L108 S130 L131 K138 | D104-I134 HydrophobicContact CB-CD1 4.1Å; D104-I134 HydrophobicContact CB-CG1 4.35Å; D104-I134 HydrophobicContact CB-CG2 3.83Å; Y105-I134 HydrophobicContact CD1-CB 4.43Å; Y105-I134 HydrophobicContact CD1-CD1 4.27Å; Y105-I134 HydrophobicContact CD1-CG2 4.37Å; Y105-I134 HydrophobicContact CD2-CB 4.38Å; Y105-I134 HydrophobicContact CD2-CG2 3.5Å; Y105-I134 VanDerWaalsContact CD2-CG2 3.5Å; Y105-I134 HydrophobicContact CE1-CB 4.06Å; Y105-I134 HydrophobicContact CE1-CG2 4.2Å; Y105-I134 HydrophobicContact CE2-CB 4.06Å; Y105-I134 HydrophobicContact CE2-CG2 3.35Å; Y105-I134 HydrophobicContact CG-CD1 4.4Å; Y105-I134 HydrophobicContact CG-CG2 4.05Å; L108-I134 HydrophobicContact CB-CD1 3.78Å; L108-I134 HydrophobicContact CD2-CD1 3.62Å; L108-I134 HydrophobicContact CG-CD1 4.31Å; S130-I134 VanDerWaalsContact O-CG1 3.29Å; S130-I134 WeakPolarHBondContact O-CG1 3.36Å; S130-I134 PolarHBondContact O-N 3.26Å; L131-I134 PolarHBondContact O-N 3Å; I134-K138 HydrophobicContact CG2-CD 3.63Å; I134-K138 HydrophobicContact CG2-CG 4.2Å; I134-K138 WeakPolarHBondContact O-CB 3.34Å; I134-K138 WeakPolarHBondContact O-CG 3.39Å; I134-K138 PolarHBondContact O-N 2.79Å |
| 135 | A | 87.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62 | -54.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y105 L131 T132 S133 R137 K138 G139 Y140 S143 Y165 | Y105-A135 WeakPolarHBondContact OH-CA 2.96Å; Y105-A135 WeakPolarHBondContact OH-CB 3.29Å; Y105-A135 PolarHBondContact OH-N 2.82Å; Y105-A135 VanDerWaalsContact OH-N 3.1Å; L131-A135 PolarHBondContact O-N 3.29Å; T132-A135 VanDerWaalsContact O-CB 3.27Å; T132-A135 WeakPolarHBondContact O-CB 3.22Å; T132-A135 PolarHBondContact O-N 2.77Å; T132-A135 VanDerWaalsContact O-N 3.16Å; S133-A135 PolarHBondContact O-N 3.43Å; A135-R137 VanDerWaalsContact C-N 3.32Å; A135-R137 PolarHBondContact O-N 2.79Å; A135-K138 PolarHBondContact O-N 2.84Å; A135-G139 CarbonylContact O-C 3.45Å; A135-G139 WeakPolarHBondContact O-CA 3.18Å; A135-G139 PolarHBondContact O-N 2.87Å; A135-Y140 PolarHBondContact O-N 2.69Å; A135-S143 WeakPolarHBondContact CB-OG 3.02Å; A135-Y165 WeakPolarHBondContact CB-OH 3.46Å |
| 136 | L | 79.4 | Confident | 85.4 | Confident | 20 Ų | 20 | 30.8 Ų | 30.8 | 11% | 0.105 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.6 | -30.3 | -178.7 | -66 | 171.5 | 0 | 0 | 0 | 111.8 | T132 S133 F141 P1634 | T132-L136 HydrophobicContact CG2-CD1 3.9Å; T132-L136 HydrophobicContact CG2-CG 4.4Å; T132-L136 WeakPolarHBondContact O-CG 3.35Å; T132-L136 PolarHBondContact O-N 2.78Å; S133-L136 PolarHBondContact O-N 2.78Å; L136-F141 HydrophobicContact CD2-CD1 4.1Å; L136-F141 HydrophobicContact CD2-CE1 4.03Å; L136-P1634 HydrophobicContact CB-CG 3.81Å; L136-P1634 HydrophobicContact CD1-CG 3.82Å; L136-P1634 HydrophobicContact CG-CG 4.47Å |
| 137 | R | 82 | Confident | 85.5 | Confident | 62 Ų | 62 | 30 Ų | 30 | 23% | 0.234 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.3 | -42.4 | 174 | -174.9 | 172.6 | 77 | -160.9 | 6.1 | 112.7 | D104 S133 A135 E201 S202 | D104-R137 IonicContact OD2-CZ 3.76Å; D104-R137 IonicContact OD2-NH2 3.91Å; D104-R137 PolarHBondContact OD2-NH2 2.7Å; S133-R137 WeakPolarHBondContact O-CB 2.93Å; S133-R137 PolarHBondContact O-N 2.77Å; A135-R137 VanDerWaalsContact C-N 3.32Å; A135-R137 PolarHBondContact O-N 2.79Å; R137-E201 CarbonylContact O-C 3.55Å; R137-E201 WeakPolarHBondContact O-CA 3.47Å; R137-E201 WeakPolarHBondContact O-CG 3.33Å; R137-S202 PolarHBondContact O-N 3.4Å |
| 138 | K | 88.7 | Confident | 85.4 | Confident | 20 Ų | 20 | 31.1 Ų | 31.1 | 9% | 0.087 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -104.1 | -0.3 | -172.7 | -54.8 | -175.9 | 85.6 | 157 | 0 | 114.2 | D102 D104 I134 A135 Y140 R170 Y200 | D102-K138 VanDerWaalsContact CG-NZ 3.31Å; D102-K138 IonicContact OD1-NZ 3.53Å; D102-K138 PolarHBondContact OD1-NZ 3.39Å; D102-K138 WeakPolarHBondContact OD2-CE 3.22Å; D102-K138 IonicContact OD2-NZ 2.98Å; D102-K138 PolarHBondContact OD2-NZ 2.76Å; D102-K138 VanDerWaalsContact OD2-NZ 3.1Å; D104-K138 HydrophobicContact CB-CD 4.32Å; D104-K138 IonicContact OD1-NZ 2.99Å; D104-K138 PolarHBondContact OD1-NZ 2.78Å; D104-K138 VanDerWaalsContact OD1-NZ 3.11Å; D104-K138 WeakPolarHBondContact OD2-CD 3.42Å; D104-K138 IonicContact OD2-NZ 3.45Å; D104-K138 PolarHBondContact OD2-NZ 2.88Å; I134-K138 HydrophobicContact CG2-CD 3.63Å; I134-K138 HydrophobicContact CG2-CG 4.2Å; I134-K138 WeakPolarHBondContact O-CB 3.34Å; I134-K138 WeakPolarHBondContact O-CG 3.39Å; I134-K138 PolarHBondContact O-N 2.79Å; A135-K138 PolarHBondContact O-N 2.84Å; K138-Y140 HydrophobicContact CB-CD2 3.91Å; K138-Y140 HydrophobicContact CB-CE2 3.79Å; K138-Y140 HydrophobicContact CD-CE2 4.45Å; K138-R170 WeakPolarHBondContact O-CG 3.38Å; K138-R170 PolarHBondContact O-NE 3.02Å; K138-Y200 CarbonylContact C-O 3.59Å |
| 139 | G | 87.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 36 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A135 F141 Y171 | A135-G139 CarbonylContact O-C 3.45Å; A135-G139 WeakPolarHBondContact O-CA 3.18Å; A135-G139 PolarHBondContact O-N 2.87Å; G139-F141 PolarHBondContact O-N 2.91Å; G139-F141 VanDerWaalsContact O-N 3.1Å; G139-Y171 WeakPolarHBondContact O-CB 3.36Å; G139-Y171 VanDerWaalsContact O-CD2 3.25Å; G139-Y171 WeakPolarHBondContact O-CD2 3.04Å; G139-Y171 PolarHBondContact O-N 2.88Å |
| 140 | Y | 90.6 | Very high | 85.8 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | trans | -83.3 | 61.6 | 167.1 | -67.3 | -78 | 0 | 0 | 0 | 110 | D102 Y105 A135 K138 D142 S143 S167 R170 | D102-Y140 WeakPolarHBondContact OD2-CE2 3.16Å; D102-Y140 PolarHBondContact OD2-OH 2.78Å; Y105-Y140 HydrophobicContact CD2-CE2 4.43Å; Y105-Y140 AromaticContact CE2-CD2 3.68Å; Y105-Y140 HydrophobicContact CE2-CD2 3.68Å; Y105-Y140 AromaticContact CE2-CE2 3.76Å; Y105-Y140 HydrophobicContact CE2-CE2 3.76Å; Y105-Y140 HydrophobicContact CE2-CG 4.4Å; A135-Y140 PolarHBondContact O-N 2.69Å; K138-Y140 HydrophobicContact CB-CD2 3.91Å; K138-Y140 HydrophobicContact CB-CE2 3.79Å; K138-Y140 HydrophobicContact CD-CE2 4.45Å; Y140-D142 PolarHBondContact O-N 2.82Å; Y140-S143 VanDerWaalsContact O-CB 3.25Å; Y140-S143 WeakPolarHBondContact O-CB 3.49Å; Y140-S143 PolarHBondContact O-N 2.67Å; Y140-S143 PolarHBondContact O-OG 2.72Å; Y140-S167 WeakPolarHBondContact CB-O 3.48Å; Y140-S167 WeakPolarHBondContact CD1-OG 3.44Å; Y140-R170 HydrophobicContact CD1-CB 4.07Å; Y140-R170 HydrophobicContact CD1-CG 4.49Å; Y140-R170 HydrophobicContact CE1-CB 3.51Å; Y140-R170 HydrophobicContact CE1-CG 4.05Å; Y140-R170 HydrophobicContact CE2-CG 4.17Å | ||
| 141 | F | 85 | Confident | 86.2 | Confident | 12 Ų | 12 | 25.8 Ų | 25.8 | 5% | 0.053 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 9 | -171.3 | -57.5 | -65.4 | 0 | 0 | 0 | 115 | L136 G139 Y171 Y200 F227 R231 L236 Q1600 | L136-F141 HydrophobicContact CD2-CD1 4.1Å; L136-F141 HydrophobicContact CD2-CE1 4.03Å; G139-F141 PolarHBondContact O-N 2.91Å; G139-F141 VanDerWaalsContact O-N 3.1Å; F141-Y171 HydrophobicContact CB-CD2 3.93Å; F141-Y171 HydrophobicContact CB-CE1 4.49Å; F141-Y171 HydrophobicContact CB-CE2 3.62Å; F141-Y171 HydrophobicContact CB-CG 4.46Å; F141-Y171 HydrophobicContact CD2-CD1 4.3Å; F141-Y171 HydrophobicContact CD2-CD2 4.03Å; F141-Y171 AromaticContact CD2-CG 3.87Å; F141-Y171 HydrophobicContact CD2-CG 3.87Å; F141-Y171 HydrophobicContact CG-CD2 4.45Å; F141-Y200 AromaticContact CE2-CD1 3.84Å; F141-Y200 HydrophobicContact CE2-CD1 3.84Å; F141-Y200 AromaticContact CE2-CD2 3.87Å; F141-Y200 HydrophobicContact CE2-CD2 3.87Å; F141-Y200 AromaticContact CE2-CE1 3.9Å; F141-Y200 HydrophobicContact CE2-CE1 3.9Å; F141-Y200 AromaticContact CE2-CE2 3.91Å; F141-Y200 HydrophobicContact CE2-CE2 3.91Å; F141-Y200 AromaticContact CE2-CG 3.84Å; F141-Y200 HydrophobicContact CE2-CG 3.84Å; F141-Y200 AromaticContact CE2-CZ 3.94Å; F141-Y200 AromaticContact CZ-CD1 3.92Å; F141-Y200 HydrophobicContact CZ-CD1 3.92Å; F141-Y200 HydrophobicContact CZ-CD2 4.31Å; F141-Y200 AromaticContact CZ-CE1 3.51Å; F141-Y200 HydrophobicContact CZ-CE1 3.51Å; F141-Y200 AromaticContact CZ-CE2 3.93Å; F141-Y200 HydrophobicContact CZ-CE2 3.93Å; F141-Y200 HydrophobicContact CZ-CG 4.32Å; F141-Y200 AromaticContact CZ-CZ 3.52Å; F141-F227 HydrophobicContact CB-CD1 4.29Å; F141-F227 HydrophobicContact CB-CE1 3.55Å; F141-F227 HydrophobicContact CB-CZ 4.19Å; F141-F227 AromaticContact CD1-CE1 3.93Å; F141-F227 HydrophobicContact CD1-CE1 3.93Å; F141-F227 AromaticContact CD1-CZ 3.72Å; F141-F227 HydrophobicContact CD1-CZ 3.72Å; F141-F227 AromaticContact CD2-CE1 3.56Å; F141-F227 HydrophobicContact CD2-CE1 3.56Å; F141-F227 AromaticContact CD2-CZ 3.99Å; F141-F227 HydrophobicContact CD2-CZ 3.99Å; F141-F227 HydrophobicContact CE1-CE1 4.46Å; F141-F227 AromaticContact CE1-CZ 3.96Å; F141-F227 HydrophobicContact CE1-CZ 3.96Å; F141-F227 HydrophobicContact CE2-CE1 4.12Å; F141-F227 HydrophobicContact CE2-CZ 4.19Å; F141-F227 AromaticContact CG-CE1 3.43Å; F141-F227 HydrophobicContact CG-CE1 3.43Å; F141-F227 VanDerWaalsContact CG-CE1 3.43Å; F141-F227 AromaticContact CG-CZ 3.73Å; F141-F227 HydrophobicContact CG-CZ 3.73Å; F141-F227 HydrophobicContact CZ-CZ 4.16Å; F141-R231 PolarHBondContact O-NH1 2.9Å; F141-L236 HydrophobicContact CD2-CD2 3.81Å; F141-L236 HydrophobicContact CE2-CD2 3.44Å; F141-L236 VanDerWaalsContact CE2-CD2 3.44Å; F141-L236 HydrophobicContact CZ-CD2 4.31Å; F141-Q1600 PolarHBondContact O-NE2 2.79Å |
| 142 | D | 83.5 | Confident | 86.3 | Confident | 35 Ų | 35 | 25.8 Ų | 25.8 | 19% | 0.187 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 23.4 | 164.1 | -67.1 | -47.5 | 0 | 0 | 0 | 111.3 | Y140 Y171 R231 K234 | Y140-D142 PolarHBondContact O-N 2.82Å; D142-Y171 HydrophobicContact CB-CE2 4.4Å; D142-Y171 PolarHBondContact OD1-OH 2.75Å; D142-Y171 VanDerWaalsContact OD1-OH 3.09Å; D142-Y171 WeakPolarHBondContact OD2-CE2 3.37Å; D142-Y171 PolarHBondContact OD2-OH 2.7Å; D142-R231 IonicContact OD1-NH1 3.61Å; D142-R231 PolarHBondContact OD1-NH1 3.41Å; D142-K234 IonicContact OD2-NZ 3.78Å; D142-K234 PolarHBondContact OD2-NZ 3.46Å |
| 143 | S | 86.5 | Confident | 86.7 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | trans | -66.4 | 149.3 | 172.6 | 54 | 0 | 0 | 0 | 0 | 112.3 | A135 Y140 Y165 N166 S167 Q1600 | A135-S143 WeakPolarHBondContact CB-OG 3.02Å; Y140-S143 VanDerWaalsContact O-CB 3.25Å; Y140-S143 WeakPolarHBondContact O-CB 3.49Å; Y140-S143 PolarHBondContact O-N 2.67Å; Y140-S143 PolarHBondContact O-OG 2.72Å; S143-Y165 VanDerWaalsContact CB-OH 3.22Å; S143-Y165 WeakPolarHBondContact CB-OH 3.42Å; S143-Y165 PolarHBondContact OG-OH 3.11Å; S143-N166 CarbonylContact C-O 3.55Å; S143-N166 WeakPolarHBondContact CA-O 3.29Å; S143-S167 PolarHBondContact N-O 2.88Å; S143-Q1600 VanDerWaalsContact O-CD 3.32Å; S143-Q1600 WeakPolarHBondContact O-CG 3.29Å; S143-Q1600 PolarHBondContact O-NE2 2.74Å; S143-Q1600 VanDerWaalsContact OG-CD 3.31Å; S143-Q1600 WeakPolarHBondContact OG-CG 3.28Å | ||
| 144 | E | 84.3 | Confident | 87 | Confident | 61 Ų | 61 | 26.1 Ų | 26.1 | 29% | 0.285 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 149.8 | 169.2 | 62.4 | -171.7 | 159.7 | 0 | 0 | 111.9 | T146 N166 K1599 | E144-T146 PolarHBondContact O-N 2.8Å; E144-T146 VanDerWaalsContact O-N 3.14Å; E144-N166 PolarHBondContact N-O 3.39Å; E144-N166 PolarHBondContact O-N 3.37Å; E144-K1599 IonicContact OE2-NZ 3.15Å; E144-K1599 PolarHBondContact OE2-NZ 2.75Å |
| 145 | F | 86.6 | Confident | 86.8 | Confident | 58 Ų | 58 | 27.9 Ų | 27.9 | 25% | 0.254 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 89.6 | 163.5 | -70.9 | -80.5 | 0 | 0 | 0 | 108.5 | K128 L131 K147 A148 I163 D164 Y165 | K128-F145 HydrophobicContact CB-CE1 4.42Å; K128-F145 HydrophobicContact CB-CZ 3.94Å; K128-F145 HydrophobicContact CD-CE1 4.47Å; K128-F145 HydrophobicContact CG-CE1 3.9Å; K128-F145 HydrophobicContact CG-CZ 3.91Å; L131-F145 HydrophobicContact CB-CZ 4.21Å; L131-F145 HydrophobicContact CD1-CE1 3.65Å; L131-F145 HydrophobicContact CD1-CZ 3.93Å; F145-K147 PolarHBondContact O-N 3.45Å; F145-A148 HydrophobicContact CB-CB 3.97Å; F145-A148 HydrophobicContact CD1-CB 3.99Å; F145-A148 HydrophobicContact CG-CB 4.12Å; F145-I163 HydrophobicContact CD1-CG2 3.43Å; F145-I163 VanDerWaalsContact CD1-CG2 3.43Å; F145-I163 HydrophobicContact CE1-CG2 3.46Å; F145-I163 VanDerWaalsContact CE1-CG2 3.46Å; F145-D164 CarbonylContact C-O 3.57Å; F145-D164 WeakPolarHBondContact CA-O 3.13Å; F145-Y165 AromaticContact CD1-CD2 3.64Å; F145-Y165 HydrophobicContact CD1-CD2 3.64Å; F145-Y165 HydrophobicContact CD1-CE2 4.49Å; F145-Y165 HydrophobicContact CD1-CG 4.49Å; F145-Y165 HydrophobicContact CD2-CD2 4.21Å; F145-Y165 HydrophobicContact CD2-CE2 4.33Å; F145-Y165 AromaticContact CE1-CD2 3.47Å; F145-Y165 HydrophobicContact CE1-CD2 3.47Å; F145-Y165 VanDerWaalsContact CE1-CD2 3.47Å; F145-Y165 HydrophobicContact CE1-CE2 4.15Å; F145-Y165 HydrophobicContact CE1-CG 4.29Å; F145-Y165 HydrophobicContact CE2-CD2 4.06Å; F145-Y165 AromaticContact CE2-CE2 3.97Å; F145-Y165 HydrophobicContact CE2-CE2 3.97Å; F145-Y165 HydrophobicContact CG-CD2 4.01Å; F145-Y165 AromaticContact CZ-CD2 3.69Å; F145-Y165 HydrophobicContact CZ-CD2 3.69Å; F145-Y165 AromaticContact CZ-CE2 3.87Å; F145-Y165 HydrophobicContact CZ-CE2 3.87Å |
| 146 | T | 83 | Confident | 86.9 | Confident | 42 Ų | 42 | 31.5 Ų | 31.5 | 26% | 0.258 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -53.6 | -30.8 | 168.8 | -53.8 | 0 | 0 | 0 | 0 | 111 | E144 D164 E731 | E144-T146 PolarHBondContact O-N 2.8Å; E144-T146 VanDerWaalsContact O-N 3.14Å; T146-D164 HydrophobicContact CG2-CB 4.45Å; T146-D164 PolarHBondContact N-O 3.18Å; T146-E731 HydrophobicContact CG2-CG 3.71Å; T146-E731 WeakPolarHBondContact CG2-OE1 3.49Å |
| 147 | K | 85.1 | Confident | 87.6 | Confident | 73 Ų | 73 | 33.4 Ų | 33.4 | 32% | 0.317 | 18% | 0.177 | S | C | . | . | trans | -147.7 | 146.1 | 166.3 | -163.9 | 174.3 | 173.9 | -160.8 | 0 | 109.4 | F145 Q149 D162 I163 D164 | F145-K147 PolarHBondContact O-N 3.45Å; K147-Q149 HydrophobicContact CG-CG 4.28Å; K147-D162 VanDerWaalsContact CD-OD1 3.29Å; K147-D162 WeakPolarHBondContact CD-OD1 3.5Å; K147-D162 VanDerWaalsContact CE-CG 3.42Å; K147-D162 WeakPolarHBondContact CE-OD1 3.32Å; K147-D162 WeakPolarHBondContact CE-OD2 3.15Å; K147-D162 IonicContact NZ-OD1 3.43Å; K147-D162 PolarHBondContact NZ-OD1 2.98Å; K147-D162 IonicContact NZ-OD2 3.12Å; K147-D162 PolarHBondContact NZ-OD2 2.66Å; K147-I163 CarbonylContact O-C 3.55Å; K147-I163 VanDerWaalsContact O-CA 3.25Å; K147-I163 WeakPolarHBondContact O-CA 3.35Å; K147-D164 HydrophobicContact CB-CB 3.66Å; K147-D164 PolarHBondContact N-O 3Å; K147-D164 PolarHBondContact O-N 3.02Å; K147-D164 VanDerWaalsContact O-O 3.1Å | ||
| 148 | A | 88.2 | Confident | 88.1 | Confident | 25 Ų | 25 | 35.1 Ų | 35.1 | 21% | 0.207 | 19% | 0.186 | C | C | . | . | trans | -155.1 | 101.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | K128 F145 D162 I163 D1546 | K128-A148 HydrophobicContact CD-CB 4.46Å; F145-A148 HydrophobicContact CB-CB 3.97Å; F145-A148 HydrophobicContact CD1-CB 3.99Å; F145-A148 HydrophobicContact CG-CB 4.12Å; A148-D162 CarbonylContact C-O 3.59Å; A148-D162 WeakPolarHBondContact CA-O 3.17Å; A148-I163 HydrophobicContact CB-CG2 4.35Å; A148-D1546 WeakPolarHBondContact CB-OD2 3.44Å | ||
| 149 | Q | 90.6 | Very high | 88.4 | Confident | 63 Ų | 63 | 34.2 Ų | 34.2 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 140.6 | -176.1 | -66.6 | -179.1 | -14.8 | 0 | 0 | 110.7 | Y124 K147 D162 V1548 | Y124-Q149 PolarHBondContact OH-N 3.01Å; K147-Q149 HydrophobicContact CG-CG 4.28Å; Q149-D162 HydrophobicContact CB-CB 4.28Å; Q149-D162 PolarHBondContact N-O 3.39Å; Q149-D162 PolarHBondContact O-N 3.15Å; Q149-V1548 HydrophobicContact CB-CG2 4.3Å; Q149-V1548 HydrophobicContact CG-CG2 4.08Å |
| 150 | L | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 86.6 | 170.5 | 180 | 57.1 | 0 | 0 | 0 | 107.9 | L119 Q121 Y124 I152 A159 F160 D1546 V1547 V1548 | L119-L150 HydrophobicContact CD1-CD1 3.98Å; L119-L150 HydrophobicContact CD1-CD2 4.22Å; L119-L150 HydrophobicContact CD2-CD2 4.42Å; Q121-L150 HydrophobicContact CG-CD2 3.92Å; Y124-L150 HydrophobicContact CD1-CD2 4.46Å; Y124-L150 HydrophobicContact CD2-CB 4.26Å; Y124-L150 HydrophobicContact CD2-CD1 4.11Å; Y124-L150 HydrophobicContact CD2-CD2 4.44Å; Y124-L150 HydrophobicContact CE1-CB 4.44Å; Y124-L150 HydrophobicContact CE2-CB 3.9Å; Y124-L150 HydrophobicContact CE2-CD1 4.43Å; Y124-L150 HydrophobicContact CG-CD2 4.25Å; L150-I152 HydrophobicContact CD1-CD1 4.43Å; L150-I152 HydrophobicContact CG-CD1 4.07Å; L150-I152 PolarHBondContact O-N 2.7Å; L150-A159 HydrophobicContact CD1-CB 4.43Å; L150-F160 CarbonylContact C-O 3.57Å; L150-F160 WeakPolarHBondContact CA-O 3.29Å; L150-D1546 PolarHBondContact N-O 2.93Å; L150-V1547 HydrophobicContact CD2-CG2 4.04Å; L150-V1547 HydrophobicContact CG-CG2 4.45Å; L150-V1547 WeakPolarHBondContact O-CA 3.26Å; L150-V1548 PolarHBondContact O-N 2.86Å |
| 151 | G | 92.8 | Very high | 88.8 | Confident | 7 Ų | 7 | 36 Ų | 36 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 117.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A159 F160 V1548 | G151-A159 CarbonylContact O-C 3.53Å; G151-A159 VanDerWaalsContact O-CA 3.25Å; G151-A159 WeakPolarHBondContact O-CA 3.42Å; G151-F160 PolarHBondContact N-O 3.36Å; G151-F160 PolarHBondContact O-N 2.76Å; G151-V1548 CarbonylContact C-O 3.43Å; G151-V1548 WeakPolarHBondContact CA-O 3.27Å |
| 152 | I | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 103.3 | -176.3 | -53.6 | -60 | 0 | 0 | 0 | 110.7 | Y57 V86 L119 L150 L154 A159 V1547 V1548 M1549 L1550 | Y57-I152 HydrophobicContact CD1-CG2 4.32Å; Y57-I152 HydrophobicContact CD2-CG2 4.46Å; Y57-I152 HydrophobicContact CE1-CG1 4.25Å; Y57-I152 HydrophobicContact CE1-CG2 4.06Å; Y57-I152 HydrophobicContact CE2-CD1 4.39Å; Y57-I152 HydrophobicContact CE2-CG2 4.24Å; Y57-I152 WeakPolarHBondContact OH-CG1 3.35Å; V86-I152 HydrophobicContact CG1-CG2 4.43Å; V86-I152 HydrophobicContact CG2-CG2 4.36Å; L119-I152 HydrophobicContact CD2-CD1 3.49Å; L119-I152 VanDerWaalsContact CD2-CD1 3.49Å; L150-I152 HydrophobicContact CD1-CD1 4.43Å; L150-I152 HydrophobicContact CG-CD1 4.07Å; L150-I152 PolarHBondContact O-N 2.7Å; I152-L154 HydrophobicContact CG2-CD2 3.71Å; I152-L154 HydrophobicContact CG2-CG 4.21Å; I152-L154 PolarHBondContact O-N 2.74Å; I152-A159 HydrophobicContact CD1-CB 3.61Å; I152-V1547 HydrophobicContact CG1-CG1 3.85Å; I152-V1548 PolarHBondContact N-O 2.67Å; I152-M1549 HydrophobicContact CB-SD 4.23Å; I152-M1549 HydrophobicContact CG2-CE 4.36Å; I152-L1550 PolarHBondContact O-N 2.65Å |
| 153 | A | 90.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 95.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110 | L156 H157 K158 F160 L1550 L1554 | A153-L156 HydrophobicContact CB-CB 4Å; A153-L156 HydrophobicContact CB-CD1 4.05Å; A153-L156 HydrophobicContact CB-CG 4.24Å; A153-L156 PolarHBondContact O-N 3.12Å; A153-H157 PolarHBondContact O-N 2.89Å; A153-K158 PolarHBondContact N-O 2.86Å; A153-K158 PolarHBondContact O-N 2.65Å; A153-F160 HydrophobicContact CB-CE2 4.46Å; A153-L1550 HydrophobicContact CB-CB 4.08Å; A153-L1554 HydrophobicContact CB-CD2 3.69Å |
| 154 | L | 84.2 | Confident | 90 | Very high | 46 Ų | 46 | 35.9 Ų | 35.9 | 24% | 0.241 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -45.1 | -173.3 | -73.7 | -175.5 | 0 | 0 | 0 | 113.5 | Y57 V86 I152 L156 H157 M1549 | Y57-L154 VanDerWaalsContact CB-CD2 3.5Å; Y57-L154 HydrophobicContact CD1-CD2 4.07Å; Y57-L154 HydrophobicContact CD2-CD2 4.48Å; Y57-L154 HydrophobicContact CG-CD2 3.78Å; V86-L154 HydrophobicContact CG2-CD2 4.25Å; I152-L154 HydrophobicContact CG2-CD2 3.71Å; I152-L154 HydrophobicContact CG2-CG 4.21Å; I152-L154 PolarHBondContact O-N 2.74Å; L154-L156 VanDerWaalsContact C-N 3.31Å; L154-L156 PolarHBondContact O-N 3.09Å; L154-H157 PolarHBondContact O-N 2.75Å; L154-H157 PolarHBondContact O-ND1 2.93Å; L154-M1549 HydrophobicContact CD1-CE 3.43Å; L154-M1549 VanDerWaalsContact CD1-CE 3.43Å; L154-M1549 HydrophobicContact CD2-CE 4.19Å; L154-M1549 HydrophobicContact CG-CE 3.61Å |
| 155 | G | 82.8 | Confident | 90.4 | Very high | 48 Ų | 48 | 33 Ų | 33 | 50% | 0.495 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -40.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | H157 D1552 | G155-H157 VanDerWaalsContact C-N 3.26Å; G155-H157 PolarHBondContact O-N 3.01Å; G155-H157 PolarHBondContact O-ND1 2.9Å; G155-D1552 WeakPolarHBondContact CA-OD1 2.95Å |
| 156 | L | 89.7 | Confident | 90.8 | Very high | 76 Ų | 76 | 32.1 Ų | 32.1 | 40% | 0.398 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -10.1 | 174.3 | -55.9 | -177 | 0 | 0 | 0 | 114.5 | A153 L154 K158 L1554 | A153-L156 HydrophobicContact CB-CB 4Å; A153-L156 HydrophobicContact CB-CD1 4.05Å; A153-L156 HydrophobicContact CB-CG 4.24Å; A153-L156 PolarHBondContact O-N 3.12Å; L154-L156 VanDerWaalsContact C-N 3.31Å; L154-L156 PolarHBondContact O-N 3.09Å; L156-K158 VanDerWaalsContact C-N 3.28Å; L156-K158 HydrophobicContact CB-CB 4.43Å; L156-K158 PolarHBondContact O-N 2.92Å; L156-L1554 HydrophobicContact CD1-CD2 3.67Å; L156-L1554 HydrophobicContact CD1-CG 4.27Å |
| 157 | H | 92.3 | Very high | 91.2 | Very high | 60 Ų | 60 | 30.1 Ų | 30.1 | 28% | 0.278 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 41.5 | -172.3 | -61 | 68.5 | 0 | 0 | 0 | 113.1 | V84 V86 L87 A153 L154 G155 | V84-H157 WeakPolarHBondContact CG1-CD2 3.45Å; V86-H157 WeakPolarHBondContact CA-O 3.41Å; L87-H157 PolarHBondContact N-O 3.31Å; A153-H157 PolarHBondContact O-N 2.89Å; L154-H157 PolarHBondContact O-N 2.75Å; L154-H157 PolarHBondContact O-ND1 2.93Å; G155-H157 VanDerWaalsContact C-N 3.26Å; G155-H157 PolarHBondContact O-N 3.01Å; G155-H157 PolarHBondContact O-ND1 2.9Å |
| 158 | K | 93.9 | Very high | 91.5 | Very high | 98 Ų | 98 | 27.3 Ų | 27.3 | 43% | 0.426 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 148.2 | -176.1 | -76 | 178.6 | -177.6 | -178.1 | 0 | 114.5 | L87 A153 L156 F160 | L87-K158 CarbonylContact O-C 3.48Å; L87-K158 VanDerWaalsContact O-CA 3.23Å; L87-K158 WeakPolarHBondContact O-CA 3.33Å; A153-K158 PolarHBondContact N-O 2.86Å; A153-K158 PolarHBondContact O-N 2.65Å; L156-K158 VanDerWaalsContact C-N 3.28Å; L156-K158 HydrophobicContact CB-CB 4.43Å; L156-K158 PolarHBondContact O-N 2.92Å; K158-F160 HydrophobicContact CB-CE2 3.62Å; K158-F160 HydrophobicContact CB-CZ 3.95Å; K158-F160 HydrophobicContact CD-CE2 4.5Å; K158-F160 HydrophobicContact CD-CZ 4Å |
| 159 | A | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V86 L87 I88 G89 L119 L150 G151 I152 | V86-A159 HydrophobicContact CG1-CB 3.64Å; L87-A159 PolarHBondContact O-N 3.27Å; I88-A159 CarbonylContact C-O 3.59Å; I88-A159 HydrophobicContact CD1-CB 4.4Å; G89-A159 PolarHBondContact N-O 2.8Å; L119-A159 HydrophobicContact CB-CB 4.13Å; L119-A159 HydrophobicContact CD1-CB 4.09Å; L119-A159 HydrophobicContact CD2-CB 3.8Å; L119-A159 HydrophobicContact CG-CB 4.22Å; L150-A159 HydrophobicContact CD1-CB 4.43Å; G151-A159 CarbonylContact O-C 3.53Å; G151-A159 VanDerWaalsContact O-CA 3.25Å; G151-A159 WeakPolarHBondContact O-CA 3.42Å; I152-A159 HydrophobicContact CD1-CB 3.61Å |
| 160 | F | 94.5 | Very high | 91.7 | Very high | 46 Ų | 46 | 31.1 Ų | 31.1 | 20% | 0.202 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.6 | -178.9 | -58.9 | -94.6 | 0 | 0 | 0 | 109.2 | G89 G90 L150 G151 A153 K158 L1550 L1554 | G89-F160 VanDerWaalsContact C-CE1 3.47Å; G90-F160 WeakPolarHBondContact O-CA 3.21Å; L150-F160 CarbonylContact C-O 3.57Å; L150-F160 WeakPolarHBondContact CA-O 3.29Å; G151-F160 PolarHBondContact N-O 3.36Å; G151-F160 PolarHBondContact O-N 2.76Å; A153-F160 HydrophobicContact CB-CE2 4.46Å; K158-F160 HydrophobicContact CB-CE2 3.62Å; K158-F160 HydrophobicContact CB-CZ 3.95Å; K158-F160 HydrophobicContact CD-CE2 4.5Å; K158-F160 HydrophobicContact CD-CZ 4Å; F160-L1550 HydrophobicContact CD2-CD1 4.17Å; F160-L1554 HydrophobicContact CD2-CD2 4.23Å; F160-L1554 HydrophobicContact CE2-CD1 4.34Å; F160-L1554 HydrophobicContact CE2-CD2 3.47Å; F160-L1554 VanDerWaalsContact CE2-CD2 3.47Å; F160-L1554 HydrophobicContact CZ-CD1 4.01Å; F160-L1554 HydrophobicContact CZ-CD2 3.91Å |
| 161 | W | 92.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 142 | 167.9 | -55.6 | 5.9 | 0 | 0 | 0 | 108.7 | G90 T91 D92 P113 D123 Y124 F127 I163 | G90-W161 PolarHBondContact O-N 2.85Å; G90-W161 VanDerWaalsContact O-N 3.11Å; T91-W161 HydrophobicContact CG2-CB 4.3Å; T91-W161 HydrophobicContact CG2-CD2 3.77Å; T91-W161 HydrophobicContact CG2-CE3 4.25Å; T91-W161 HydrophobicContact CG2-CG 3.76Å; D92-W161 WeakPolarHBondContact CB-O 3.34Å; D92-W161 PolarHBondContact N-O 3.25Å; P113-W161 HydrophobicContact CG-CH2 3.91Å; P113-W161 HydrophobicContact CG-CZ2 3.36Å; D123-W161 HydrophobicContact CB-CH2 4.45Å; D123-W161 HydrophobicContact CB-CZ2 4.22Å; D123-W161 WeakPolarHBondContact O-CH2 3.19Å; Y124-W161 HydrophobicContact CD2-CB 4.22Å; Y124-W161 AromaticContact CD2-CD1 3.75Å; Y124-W161 AromaticContact CD2-CD2 3.68Å; Y124-W161 HydrophobicContact CD2-CD2 3.68Å; Y124-W161 AromaticContact CD2-CE2 3.75Å; Y124-W161 HydrophobicContact CD2-CE3 4.29Å; Y124-W161 AromaticContact CD2-CG 3.65Å; Y124-W161 HydrophobicContact CD2-CG 3.65Å; Y124-W161 HydrophobicContact CD2-CZ2 4.35Å; Y124-W161 AromaticContact CD2-NE1 3.8Å; Y124-W161 HydrophobicContact CE2-CB 4.21Å; Y124-W161 HydrophobicContact CE2-CD2 4.46Å; Y124-W161 HydrophobicContact CE2-CG 4.14Å; Y124-W161 VanDerWaalsContact N-CZ2 3.33Å; F127-W161 HydrophobicContact CB-CH2 3.89Å; F127-W161 HydrophobicContact CB-CZ3 3.76Å; F127-W161 HydrophobicContact CD1-CZ3 4.03Å; F127-W161 HydrophobicContact CD2-CH2 4.5Å; F127-W161 AromaticContact CD2-CZ3 3.92Å; F127-W161 HydrophobicContact CD2-CZ3 3.92Å; F127-W161 HydrophobicContact CG-CH2 4.24Å; F127-W161 AromaticContact CG-CZ3 3.64Å; F127-W161 HydrophobicContact CG-CZ3 3.64Å; W161-I163 HydrophobicContact CB-CD1 4.37Å; W161-I163 HydrophobicContact CB-CG1 4.39Å; W161-I163 HydrophobicContact CE3-CD1 4.25Å |
| 162 | D | 93 | Very high | 91.8 | Very high | 41 Ų | 41 | 35.3 Ų | 35.3 | 22% | 0.219 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 91.8 | -175.8 | -172.1 | -22.9 | 0 | 0 | 0 | 109 | D92 K147 A148 Q149 | D92-D162 CarbonylContact O-C 3.58Å; D92-D162 VanDerWaalsContact O-CA 3.31Å; D92-D162 WeakPolarHBondContact O-CA 3.25Å; K147-D162 VanDerWaalsContact CD-OD1 3.29Å; K147-D162 WeakPolarHBondContact CD-OD1 3.5Å; K147-D162 VanDerWaalsContact CE-CG 3.42Å; K147-D162 WeakPolarHBondContact CE-OD1 3.32Å; K147-D162 WeakPolarHBondContact CE-OD2 3.15Å; K147-D162 IonicContact NZ-OD1 3.43Å; K147-D162 PolarHBondContact NZ-OD1 2.98Å; K147-D162 IonicContact NZ-OD2 3.12Å; K147-D162 PolarHBondContact NZ-OD2 2.66Å; A148-D162 CarbonylContact C-O 3.59Å; A148-D162 WeakPolarHBondContact CA-O 3.17Å; Q149-D162 HydrophobicContact CB-CB 4.28Å; Q149-D162 PolarHBondContact N-O 3.39Å; Q149-D162 PolarHBondContact O-N 3.15Å |
| 163 | I | 93.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -133.8 | 82.7 | -159.6 | -44.8 | -176 | 0 | 0 | 0 | 111.9 | D92 V93 Y124 K128 F145 K147 A148 W161 Y165 | D92-I163 PolarHBondContact O-N 3.16Å; V93-I163 WeakPolarHBondContact CA-O 3.39Å; V93-I163 HydrophobicContact CB-CB 4.04Å; V93-I163 HydrophobicContact CG1-CB 3.99Å; V93-I163 HydrophobicContact CG1-CG2 4.09Å; V93-I163 WeakPolarHBondContact CG1-O 3.16Å; V93-I163 HydrophobicContact CG2-CB 3.55Å; V93-I163 HydrophobicContact CG2-CD1 3.78Å; V93-I163 HydrophobicContact CG2-CG1 3.87Å; V93-I163 HydrophobicContact CG2-CG2 4.28Å; Y124-I163 HydrophobicContact CD2-CD1 4Å; Y124-I163 HydrophobicContact CE2-CD1 3.43Å; Y124-I163 VanDerWaalsContact CE2-CD1 3.43Å; Y124-I163 HydrophobicContact CE2-CG1 3.96Å; K128-I163 HydrophobicContact CG-CD1 4.14Å; F145-I163 HydrophobicContact CD1-CG2 3.43Å; F145-I163 VanDerWaalsContact CD1-CG2 3.43Å; F145-I163 HydrophobicContact CE1-CG2 3.46Å; F145-I163 VanDerWaalsContact CE1-CG2 3.46Å; K147-I163 CarbonylContact O-C 3.55Å; K147-I163 VanDerWaalsContact O-CA 3.25Å; K147-I163 WeakPolarHBondContact O-CA 3.35Å; A148-I163 HydrophobicContact CB-CG2 4.35Å; W161-I163 HydrophobicContact CB-CD1 4.37Å; W161-I163 HydrophobicContact CB-CG1 4.39Å; W161-I163 HydrophobicContact CE3-CD1 4.25Å; I163-Y165 PolarHBondContact O-N 3.03Å | ||
| 164 | D | 93.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | trans | -72.6 | 113.8 | 171.4 | -168.4 | -21.2 | 0 | 0 | 0 | 110.1 | R96 F145 T146 K147 V728 A729 Q730 | R96-D164 IonicContact CZ-OD1 2.72Å; R96-D164 IonicContact CZ-OD2 3.62Å; R96-D164 IonicContact NE-OD1 2.71Å; R96-D164 PolarHBondContact NE-OD1 3.07Å; R96-D164 IonicContact NE-OD2 2.71Å; R96-D164 PolarHBondContact NE-OD2 2.99Å; R96-D164 IonicContact NH2-OD1 2.81Å; R96-D164 IonicContact NH2-OD2 3.32Å; R96-D164 PolarHBondContact NH2-OD2 2.93Å; F145-D164 CarbonylContact C-O 3.57Å; F145-D164 WeakPolarHBondContact CA-O 3.13Å; T146-D164 HydrophobicContact CG2-CB 4.45Å; T146-D164 PolarHBondContact N-O 3.18Å; K147-D164 HydrophobicContact CB-CB 3.66Å; K147-D164 PolarHBondContact N-O 3Å; K147-D164 PolarHBondContact O-N 3.02Å; K147-D164 VanDerWaalsContact O-O 3.1Å; D164-V728 WeakPolarHBondContact CA-O 3.39Å; D164-V728 HydrophobicContact CB-CG1 4.3Å; D164-A729 WeakPolarHBondContact OD1-CB 3.33Å; D164-A729 VanDerWaalsContact OD2-CA 3.27Å; D164-A729 WeakPolarHBondContact OD2-CA 3.05Å; D164-Q730 PolarHBondContact OD2-N 2.82Å | ||
| 165 | Y | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 103.8 | -175.7 | -176.7 | -97 | 0 | 0 | 0 | 111.4 | V94 L95 R96 Y105 L131 A135 S143 F145 I163 | V94-Y165 PolarHBondContact O-N 2.82Å; L95-Y165 CarbonylContact C-O 3.51Å; L95-Y165 WeakPolarHBondContact CA-O 3.49Å; L95-Y165 HydrophobicContact CD2-CD1 3.98Å; R96-Y165 PolarHBondContact N-O 2.88Å; Y105-Y165 HydrophobicContact CD1-CE1 4.33Å; Y105-Y165 HydrophobicContact CE1-CD1 4.23Å; Y105-Y165 AromaticContact CE1-CE1 3.45Å; Y105-Y165 HydrophobicContact CE1-CE1 3.45Å; Y105-Y165 VanDerWaalsContact CE1-CE1 3.45Å; Y105-Y165 AromaticContact CZ-CE1 3.85Å; Y105-Y165 PolarHBondContact OH-OH 2.8Å; Y105-Y165 VanDerWaalsContact OH-OH 3.14Å; L131-Y165 HydrophobicContact CB-CD2 4.33Å; L131-Y165 HydrophobicContact CB-CE1 4.29Å; L131-Y165 HydrophobicContact CB-CE2 4.04Å; L131-Y165 HydrophobicContact CD1-CD2 4.16Å; L131-Y165 HydrophobicContact CD1-CG 4.04Å; L131-Y165 HydrophobicContact CD2-CD1 4.21Å; L131-Y165 HydrophobicContact CD2-CE1 4.47Å; L131-Y165 PolarHBondContact O-OH 2.78Å; A135-Y165 WeakPolarHBondContact CB-OH 3.46Å; S143-Y165 VanDerWaalsContact CB-OH 3.22Å; S143-Y165 WeakPolarHBondContact CB-OH 3.42Å; S143-Y165 PolarHBondContact OG-OH 3.11Å; F145-Y165 AromaticContact CD1-CD2 3.64Å; F145-Y165 HydrophobicContact CD1-CD2 3.64Å; F145-Y165 HydrophobicContact CD1-CE2 4.49Å; F145-Y165 HydrophobicContact CD1-CG 4.49Å; F145-Y165 HydrophobicContact CD2-CD2 4.21Å; F145-Y165 HydrophobicContact CD2-CE2 4.33Å; F145-Y165 AromaticContact CE1-CD2 3.47Å; F145-Y165 HydrophobicContact CE1-CD2 3.47Å; F145-Y165 VanDerWaalsContact CE1-CD2 3.47Å; F145-Y165 HydrophobicContact CE1-CE2 4.15Å; F145-Y165 HydrophobicContact CE1-CG 4.29Å; F145-Y165 HydrophobicContact CE2-CD2 4.06Å; F145-Y165 AromaticContact CE2-CE2 3.97Å; F145-Y165 HydrophobicContact CE2-CE2 3.97Å; F145-Y165 HydrophobicContact CG-CD2 4.01Å; F145-Y165 AromaticContact CZ-CD2 3.69Å; F145-Y165 HydrophobicContact CZ-CD2 3.69Å; F145-Y165 AromaticContact CZ-CE2 3.87Å; F145-Y165 HydrophobicContact CZ-CE2 3.87Å; I163-Y165 PolarHBondContact O-N 3.03Å |
| 166 | N | 94 | Very high | 92.6 | Very high | 39 Ų | 39 | 35.4 Ų | 35.4 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 123.2 | 171.3 | -173.5 | 8.5 | 0 | 0 | 0 | 109.5 | R96 S143 E144 G168 | R96-N166 HydrophobicContact CB-CB 4.13Å; R96-N166 HydrophobicContact CG-CB 4.38Å; S143-N166 CarbonylContact C-O 3.55Å; S143-N166 WeakPolarHBondContact CA-O 3.29Å; E144-N166 PolarHBondContact N-O 3.39Å; E144-N166 PolarHBondContact O-N 3.37Å; N166-G168 VanDerWaalsContact C-N 3.34Å; N166-G168 PolarHBondContact OD1-N 2.86Å |
| 167 | S | 92.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -82.9 | -12.4 | 172.8 | 74.9 | 0 | 0 | 0 | 0 | 113.9 | R96 G98 A99 Y140 S143 | R96-S167 PolarHBondContact O-N 2.77Å; R96-S167 VanDerWaalsContact O-N 3.14Å; R96-S167 PolarHBondContact O-OG 3.38Å; G98-S167 PolarHBondContact N-OG 2.98Å; A99-S167 PolarHBondContact N-OG 2.87Å; Y140-S167 WeakPolarHBondContact CB-O 3.48Å; Y140-S167 WeakPolarHBondContact CD1-OG 3.44Å; S143-S167 PolarHBondContact N-O 2.88Å | ||
| 168 | G | 90.4 | Very high | 92.8 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | trans | 58.5 | -155.6 | -161 | 0 | 0 | 0 | 0 | 0 | 112 | G97 G98 N166 | G97-G168 WeakPolarHBondContact CA-O 3.4Å; G98-G168 PolarHBondContact N-O 2.8Å; N166-G168 VanDerWaalsContact C-N 3.34Å; N166-G168 PolarHBondContact OD1-N 2.86Å | ||
| 169 | E | 90 | Very high | 92.5 | Very high | 122 Ų | 122 | 33.8 Ų | 33.8 | 57% | 0.57 | 16% | 0.162 | S | C | * | . | P | Polyproline II helix | trans | -91.9 | 152.4 | 178.9 | -63.9 | -175 | 134 | 0 | 0 | 112.1 | Y171 K234 | E169-Y171 PolarHBondContact O-N 2.87Å; E169-K234 HydrophobicContact CB-CD 4.46Å; E169-K234 HydrophobicContact CB-CG 4.31Å; E169-K234 WeakPolarHBondContact OE2-CE 3.4Å; E169-K234 WeakPolarHBondContact OE2-CG 3.41Å |
| 170 | R | 91.9 | Very high | 92.2 | Very high | 46 Ų | 46 | 36.4 Ų | 36.4 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 122.9 | 174.6 | -160.8 | -177 | 176.9 | -174.3 | 3.8 | 109.4 | K138 Y140 E199 Y200 E201 | K138-R170 WeakPolarHBondContact O-CG 3.38Å; K138-R170 PolarHBondContact O-NE 3.02Å; Y140-R170 HydrophobicContact CD1-CB 4.07Å; Y140-R170 HydrophobicContact CD1-CG 4.49Å; Y140-R170 HydrophobicContact CE1-CB 3.51Å; Y140-R170 HydrophobicContact CE1-CG 4.05Å; Y140-R170 HydrophobicContact CE2-CG 4.17Å; R170-E199 WeakPolarHBondContact CD-OE2 3.48Å; R170-E199 IonicContact CZ-OE2 2.84Å; R170-E199 IonicContact NE-OE2 3.17Å; R170-E199 IonicContact NH1-OE2 3.54Å; R170-E199 PolarHBondContact NH1-OE2 2.97Å; R170-Y200 PolarHBondContact NE-O 2.92Å; R170-Y200 PolarHBondContact NH2-O 3.21Å; R170-E201 IonicContact NH2-OE2 2.83Å |
| 171 | Y | 92.7 | Very high | 92 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 155.6 | 176.1 | -79.2 | -119.2 | 0 | 0 | 0 | 111.7 | G139 F141 D142 E169 Y200 F227 A230 R231 K234 L236 | G139-Y171 WeakPolarHBondContact O-CB 3.36Å; G139-Y171 VanDerWaalsContact O-CD2 3.25Å; G139-Y171 WeakPolarHBondContact O-CD2 3.04Å; G139-Y171 PolarHBondContact O-N 2.88Å; F141-Y171 HydrophobicContact CB-CD2 3.93Å; F141-Y171 HydrophobicContact CB-CE1 4.49Å; F141-Y171 HydrophobicContact CB-CE2 3.62Å; F141-Y171 HydrophobicContact CB-CG 4.46Å; F141-Y171 HydrophobicContact CD2-CD1 4.3Å; F141-Y171 HydrophobicContact CD2-CD2 4.03Å; F141-Y171 AromaticContact CD2-CG 3.87Å; F141-Y171 HydrophobicContact CD2-CG 3.87Å; F141-Y171 HydrophobicContact CG-CD2 4.45Å; D142-Y171 HydrophobicContact CB-CE2 4.4Å; D142-Y171 PolarHBondContact OD1-OH 2.75Å; D142-Y171 VanDerWaalsContact OD1-OH 3.09Å; D142-Y171 WeakPolarHBondContact OD2-CE2 3.37Å; D142-Y171 PolarHBondContact OD2-OH 2.7Å; E169-Y171 PolarHBondContact O-N 2.87Å; Y171-Y200 WeakPolarHBondContact O-CB 3.22Å; Y171-Y200 PolarHBondContact O-N 2.79Å; Y171-F227 HydrophobicContact CE1-CD1 4.46Å; Y171-A230 HydrophobicContact CD1-CB 4.23Å; Y171-A230 HydrophobicContact CE1-CB 3.72Å; Y171-A230 WeakPolarHBondContact CE1-O 3.35Å; Y171-R231 WeakPolarHBondContact OH-CA 3.46Å; Y171-R231 WeakPolarHBondContact OH-CG 3.32Å; Y171-K234 CarbonylContact C-O 3.4Å; Y171-K234 WeakPolarHBondContact CA-O 3.42Å; Y171-K234 HydrophobicContact CE2-CD 4.21Å; Y171-L236 HydrophobicContact CD1-CB 4.08Å |
| 172 | R | 94.5 | Very high | 92 | Very high | 95 Ų | 95 | 37.5 Ų | 37.5 | 36% | 0.358 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 150 | 174.9 | -67.7 | 171.8 | -177.4 | -68.2 | -17.9 | 109.6 | G174 G197 D198 E199 K234 V235 L236 | R172-G174 PolarHBondContact O-N 3.48Å; R172-G197 VanDerWaalsContact CD-O 3.3Å; R172-G197 WeakPolarHBondContact CD-O 3.14Å; R172-G197 WeakPolarHBondContact CG-O 3.05Å; R172-G197 PolarHBondContact NH1-O 3.42Å; R172-D198 CarbonylContact C-O 3.53Å; R172-D198 WeakPolarHBondContact CA-O 2.92Å; R172-D198 WeakPolarHBondContact CB-O 3.36Å; R172-E199 HydrophobicContact CG-CG 4.44Å; R172-E199 IonicContact CZ-OE1 2.95Å; R172-E199 IonicContact NH1-OE1 2.79Å; R172-E199 IonicContact NH2-OE1 3.42Å; R172-E199 PolarHBondContact NH2-OE1 2.78Å; R172-K234 PolarHBondContact N-O 2.58Å; R172-V235 WeakPolarHBondContact O-CA 3.35Å; R172-L236 PolarHBondContact O-N 3.47Å |
| 173 | F | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 133.6 | 174.2 | -72.9 | -65 | 0 | 0 | 0 | 110.6 | F194 E196 G197 D198 Y200 D204 L205 L238 | F173-F194 HydrophobicContact CB-CD2 3.39Å; F173-F194 HydrophobicContact CB-CE2 3.71Å; F173-F194 HydrophobicContact CB-CG 4.11Å; F173-F194 HydrophobicContact CD1-CD1 4.29Å; F173-F194 AromaticContact CD1-CD2 3.89Å; F173-F194 HydrophobicContact CD1-CD2 3.89Å; F173-F194 HydrophobicContact CD1-CE1 4.08Å; F173-F194 AromaticContact CD1-CE2 3.62Å; F173-F194 HydrophobicContact CD1-CE2 3.62Å; F173-F194 HydrophobicContact CD1-CG 4.22Å; F173-F194 AromaticContact CD1-CZ 3.74Å; F173-F194 HydrophobicContact CD1-CZ 3.74Å; F173-F194 HydrophobicContact CD2-CB 3.61Å; F173-F194 AromaticContact CD2-CD1 3.78Å; F173-F194 HydrophobicContact CD2-CD1 3.78Å; F173-F194 AromaticContact CD2-CD2 3.6Å; F173-F194 HydrophobicContact CD2-CD2 3.6Å; F173-F194 HydrophobicContact CD2-CE1 4.38Å; F173-F194 HydrophobicContact CD2-CE2 4.2Å; F173-F194 AromaticContact CD2-CG 3.36Å; F173-F194 HydrophobicContact CD2-CG 3.36Å; F173-F194 HydrophobicContact CE1-CD1 4.15Å; F173-F194 AromaticContact CE1-CE1 3.85Å; F173-F194 HydrophobicContact CE1-CE1 3.85Å; F173-F194 HydrophobicContact CE1-CE2 4.23Å; F173-F194 HydrophobicContact CE1-CG 4.5Å; F173-F194 AromaticContact CE1-CZ 3.89Å; F173-F194 HydrophobicContact CE1-CZ 3.89Å; F173-F194 HydrophobicContact CE2-CB 3.99Å; F173-F194 AromaticContact CE2-CD1 3.6Å; F173-F194 HydrophobicContact CE2-CD1 3.6Å; F173-F194 HydrophobicContact CE2-CD2 4.28Å; F173-F194 HydrophobicContact CE2-CE1 4.15Å; F173-F194 AromaticContact CE2-CG 3.69Å; F173-F194 HydrophobicContact CE2-CG 3.69Å; F173-F194 HydrophobicContact CG-CB 4.29Å; F173-F194 HydrophobicContact CG-CD1 4.11Å; F173-F194 AromaticContact CG-CD2 3.35Å; F173-F194 HydrophobicContact CG-CD2 3.35Å; F173-F194 HydrophobicContact CG-CE1 4.34Å; F173-F194 AromaticContact CG-CE2 3.59Å; F173-F194 HydrophobicContact CG-CE2 3.59Å; F173-F194 AromaticContact CG-CG 3.64Å; F173-F194 HydrophobicContact CG-CG 3.64Å; F173-F194 HydrophobicContact CG-CZ 4.1Å; F173-F194 AromaticContact CZ-CD1 3.8Å; F173-F194 HydrophobicContact CZ-CD1 3.8Å; F173-F194 AromaticContact CZ-CE1 3.88Å; F173-F194 HydrophobicContact CZ-CE1 3.88Å; F173-F194 HydrophobicContact CZ-CG 4.25Å; F173-F194 HydrophobicContact CZ-CZ 4.37Å; F173-E196 CarbonylContact O-C 3.58Å; F173-E196 WeakPolarHBondContact O-CA 3.48Å; F173-G197 PolarHBondContact O-N 3.29Å; F173-D198 PolarHBondContact N-O 2.8Å; F173-Y200 AromaticContact CD1-CD2 3.83Å; F173-Y200 HydrophobicContact CD1-CD2 3.83Å; F173-Y200 HydrophobicContact CD1-CE2 4.44Å; F173-Y200 AromaticContact CE1-CD2 3.27Å; F173-Y200 HydrophobicContact CE1-CD2 3.27Å; F173-Y200 AromaticContact CE1-CE2 3.61Å; F173-Y200 HydrophobicContact CE1-CE2 3.61Å; F173-Y200 HydrophobicContact CE1-CG 4.1Å; F173-Y200 AromaticContact CZ-CD2 3.73Å; F173-Y200 HydrophobicContact CZ-CD2 3.73Å; F173-Y200 HydrophobicContact CZ-CE2 4.15Å; F173-Y200 HydrophobicContact CZ-CG 4.12Å; F173-D204 HydrophobicContact CE2-CB 4.06Å; F173-D204 HydrophobicContact CZ-CB 3.98Å; F173-L205 HydrophobicContact CE1-CD2 3.73Å; F173-L205 HydrophobicContact CE1-CG 4.23Å; F173-L205 HydrophobicContact CZ-CD2 4.47Å; F173-L238 HydrophobicContact CD1-CD1 3.94Å; F173-L238 HydrophobicContact CE1-CD1 4.21Å |
| 174 | G | 90.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -179 | 170 | 0 | 0 | 0 | 0 | 0 | 112.2 | R172 L236 | R172-G174 PolarHBondContact O-N 3.48Å; G174-L236 WeakPolarHBondContact CA-O 3.23Å; G174-L236 PolarHBondContact N-O 3.07Å |
| 175 | H | 91.9 | Very high | 92 | Very high | 91 Ų | 91 | 43.3 Ų | 43.3 | 42% | 0.421 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 139 | 175.8 | -169.1 | 64.9 | 0 | 0 | 0 | 113.4 | E196 P237 L238 | H175-E196 PolarHBondContact N-OE1 2.97Å; H175-P237 VanDerWaalsContact O-CA 3.3Å; H175-P237 WeakPolarHBondContact O-CA 3.48Å; H175-P237 WeakPolarHBondContact O-CB 3.46Å; H175-L238 PolarHBondContact O-N 3.47Å; H175-L238 VanDerWaalsContact O-N 3.16Å |
| 176 | V | 92.3 | Very high | 92 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 125.4 | -179.8 | -170.3 | 0 | 0 | 0 | 0 | 109.7 | F178 Q189 V192 F194 L208 L238 | V176-F178 HydrophobicContact CB-CE2 4.11Å; V176-F178 HydrophobicContact CB-CZ 4.27Å; V176-F178 HydrophobicContact CG1-CD2 4.37Å; V176-F178 HydrophobicContact CG1-CE1 4.01Å; V176-F178 HydrophobicContact CG1-CE2 3.69Å; V176-F178 HydrophobicContact CG1-CZ 3.49Å; V176-F178 VanDerWaalsContact CG1-CZ 3.49Å; V176-Q189 PolarHBondContact O-NE2 3.02Å; V176-V192 HydrophobicContact CB-CG2 4.35Å; V176-V192 HydrophobicContact CG2-CG1 4.15Å; V176-V192 HydrophobicContact CG2-CG2 4.07Å; V176-F194 HydrophobicContact CG2-CE2 3.92Å; V176-F194 HydrophobicContact CG2-CZ 4.27Å; V176-L208 HydrophobicContact CG1-CD2 4.44Å; V176-L238 CarbonylContact C-O 3.54Å; V176-L238 WeakPolarHBondContact CA-O 3.15Å; V176-L238 HydrophobicContact CG1-CB 4.16Å; V176-L238 HydrophobicContact CG2-CB 4.26Å; V176-L238 HydrophobicContact CG2-CD1 4.03Å; V176-L238 HydrophobicContact CG2-CG 4.49Å |
| 177 | T | 92.5 | Very high | 92 | Very high | 67 Ų | 67 | 45.5 Ų | 45.5 | 41% | 0.411 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.6 | 176.7 | -55.4 | 0 | 0 | 0 | 0 | 109.7 | L238 T239 G240 | T177-L238 PolarHBondContact N-O 3.14Å; T177-T239 CarbonylContact O-C 3.41Å; T177-T239 WeakPolarHBondContact O-CA 3.41Å; T177-G240 PolarHBondContact O-N 3.14Å |
| 178 | F | 93.2 | Very high | 92.1 | Very high | 24 Ų | 24 | 45.5 Ų | 45.5 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.6 | -177.7 | -66.8 | -81.7 | 0 | 0 | 0 | 112.9 | V176 L188 V192 L212 G240 | V176-F178 HydrophobicContact CB-CE2 4.11Å; V176-F178 HydrophobicContact CB-CZ 4.27Å; V176-F178 HydrophobicContact CG1-CD2 4.37Å; V176-F178 HydrophobicContact CG1-CE1 4.01Å; V176-F178 HydrophobicContact CG1-CE2 3.69Å; V176-F178 HydrophobicContact CG1-CZ 3.49Å; V176-F178 VanDerWaalsContact CG1-CZ 3.49Å; F178-L188 HydrophobicContact CB-CD1 3.51Å; F178-L188 HydrophobicContact CD1-CB 4.2Å; F178-L188 HydrophobicContact CD1-CD1 3.99Å; F178-L188 HydrophobicContact CD2-CB 3.49Å; F178-L188 VanDerWaalsContact CD2-CB 3.49Å; F178-L188 HydrophobicContact CD2-CD1 3.9Å; F178-L188 HydrophobicContact CD2-CG 4.35Å; F178-L188 HydrophobicContact CE1-CB 4.17Å; F178-L188 HydrophobicContact CE2-CB 3.46Å; F178-L188 VanDerWaalsContact CE2-CB 3.46Å; F178-L188 HydrophobicContact CG-CB 3.87Å; F178-L188 HydrophobicContact CG-CD1 3.52Å; F178-L188 HydrophobicContact CG-CG 4.33Å; F178-L188 HydrophobicContact CZ-CB 3.81Å; F178-V192 HydrophobicContact CZ-CG2 4.33Å; F178-L212 HydrophobicContact CE1-CD1 3.91Å; F178-L212 HydrophobicContact CE1-CD2 4.02Å; F178-G240 WeakPolarHBondContact CA-O 3.26Å |
| 179 | E | 87.9 | Confident | 92.2 | Very high | 108 Ų | 108 | 47 Ų | 47 | 51% | 0.505 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 147.8 | -178.4 | -65.6 | -165.6 | 167.2 | 0 | 0 | 112.1 | S181 T239 G240 V242 | E179-S181 PolarHBondContact O-N 3.23Å; E179-T239 HydrophobicContact CG-CG2 4.03Å; E179-G240 PolarHBondContact N-O 2.97Å; E179-V242 WeakPolarHBondContact O-CG2 3.42Å; E179-V242 PolarHBondContact O-N 3.49Å |
| 180 | G | 87 | Confident | 92.3 | Very high | 56 Ų | 56 | 44.3 Ų | 44.3 | 58% | 0.577 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 75.8 | -9.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | V242 | G180-V242 CarbonylContact C-O 3.54Š|
| 181 | S | 90.1 | Very high | 92.3 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | trans | -66.3 | 135.3 | -178.6 | -179.9 | 0 | 0 | 0 | 0 | 114 | E179 I183 L188 | E179-S181 PolarHBondContact O-N 3.23Å; S181-I183 VanDerWaalsContact C-N 3.35Å; S181-I183 WeakPolarHBondContact OG-CA 3.42Å; S181-I183 WeakPolarHBondContact OG-CB 3.49Å; S181-I183 PolarHBondContact OG-N 3.09Å; S181-I183 PolarHBondContact OG-O 2.77Å; S181-L188 WeakPolarHBondContact OG-CD1 3.35Å | ||
| 182 | Q | 92.3 | Very high | 92.3 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 17% | 0.173 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -85.9 | -5.7 | 165 | 80.6 | -70.9 | 9.5 | 0 | 0 | 113.6 | W217 P244 W272 S275 | Q182-W217 PolarHBondContact NE2-O 2.65Å; Q182-P244 HydrophobicContact CB-CG 4.42Å; Q182-P244 HydrophobicContact CG-CB 4.45Å; Q182-W272 HydrophobicContact CG-CD2 3.73Å; Q182-W272 HydrophobicContact CG-CE3 3.75Å; Q182-W272 HydrophobicContact CG-CG 4.28Å; Q182-W272 HydrophobicContact CG-CH2 4.23Å; Q182-W272 HydrophobicContact CG-CZ2 4.19Å; Q182-W272 HydrophobicContact CG-CZ3 4.01Å; Q182-W272 VanDerWaalsContact NE2-CG 3.33Å; Q182-S275 VanDerWaalsContact O-CA 3.23Å; Q182-S275 WeakPolarHBondContact O-CA 3.14Å; Q182-S275 WeakPolarHBondContact O-CB 3.2Å |
| 183 | I | 95.2 | Very high | 92 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -100.6 | 140.9 | -177.7 | -51.3 | -56.9 | 0 | 0 | 0 | 110.2 | S181 D185 L188 W217 F218 W272 S275 | S181-I183 VanDerWaalsContact C-N 3.35Å; S181-I183 WeakPolarHBondContact OG-CA 3.42Å; S181-I183 WeakPolarHBondContact OG-CB 3.49Å; S181-I183 PolarHBondContact OG-N 3.09Å; S181-I183 PolarHBondContact OG-O 2.77Å; I183-D185 PolarHBondContact O-N 2.81Å; I183-L188 HydrophobicContact CB-CD2 4.23Å; I183-L188 HydrophobicContact CG2-CD2 4.14Å; I183-L188 HydrophobicContact CG2-CG 4.49Å; I183-W217 HydrophobicContact CB-CE3 4.32Å; I183-W217 HydrophobicContact CD1-CB 4.45Å; I183-W217 HydrophobicContact CD1-CD2 4.18Å; I183-W217 HydrophobicContact CD1-CG 4.14Å; I183-W217 HydrophobicContact CG1-CB 4.12Å; I183-W217 HydrophobicContact CG1-CD2 3.9Å; I183-W217 HydrophobicContact CG1-CE3 3.8Å; I183-W217 HydrophobicContact CG1-CG 4.07Å; I183-W217 HydrophobicContact CG2-CE3 3.98Å; I183-W217 HydrophobicContact CG2-CH2 4.3Å; I183-W217 HydrophobicContact CG2-CZ3 3.84Å; I183-F218 HydrophobicContact CG1-CE1 4.38Å; I183-F218 HydrophobicContact CG1-CZ 4.14Å; I183-W272 HydrophobicContact CD1-CB 4.38Å; I183-S275 CarbonylContact C-O 3.56Å; I183-S275 WeakPolarHBondContact CA-O 3.28Å |
| 184 | R | 94.4 | Very high | 92 | Very high | 90 Ų | 90 | 41.5 Ų | 41.5 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | trans | -60.5 | 131.1 | 179.2 | -67.9 | -179.7 | 71.3 | -129.8 | -12.4 | 110.5 | E186 Y187 S275 | R184-E186 VanDerWaalsContact C-N 3.27Å; R184-E186 HydrophobicContact CB-CG 4.24Å; R184-E186 IonicContact CZ-OE1 3.34Å; R184-E186 IonicContact CZ-OE2 3.05Å; R184-E186 IonicContact NH1-OE1 3.22Å; R184-E186 PolarHBondContact NH1-OE1 2.98Å; R184-E186 IonicContact NH1-OE2 3.45Å; R184-E186 PolarHBondContact NH1-OE2 3.17Å; R184-E186 IonicContact NH2-OE1 2.81Å; R184-E186 IonicContact NH2-OE2 2.77Å; R184-E186 PolarHBondContact NH2-OE2 2.91Å; R184-E186 PolarHBondContact O-N 2.7Å; R184-E186 VanDerWaalsContact O-N 3.15Å; R184-Y187 HydrophobicContact CB-CD2 4.35Å; R184-Y187 WeakPolarHBondContact O-CB 3.35Å; R184-Y187 PolarHBondContact O-N 2.83Å; R184-S275 WeakPolarHBondContact CG-O 3.4Å; R184-S275 PolarHBondContact N-O 2.99Å | ||
| 185 | D | 91.1 | Very high | 91.9 | Very high | 71 Ų | 71 | 48.6 Ų | 48.6 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -48.2 | -44.8 | -176.5 | -174.6 | 80.8 | 0 | 0 | 0 | 113.6 | I183 Y187 L188 Q189 | I183-D185 PolarHBondContact O-N 2.81Å; D185-Y187 PolarHBondContact O-N 2.77Å; D185-L188 WeakPolarHBondContact O-CA 3.22Å; D185-L188 WeakPolarHBondContact O-CB 3.34Å; D185-L188 PolarHBondContact O-N 3.31Å; D185-Q189 WeakPolarHBondContact O-CG 3.34Å; D185-Q189 PolarHBondContact O-N 2.74Å; D185-Q189 PolarHBondContact OD1-NE2 3.02Å; D185-Q189 VanDerWaalsContact OD2-CG 3.26Å; D185-Q189 WeakPolarHBondContact OD2-CG 3.45Å; D185-Q189 PolarHBondContact OD2-NE2 3.28Å |
| 186 | E | 93.9 | Very high | 91.8 | Very high | 66 Ų | 66 | 50.2 Ų | 50.2 | 31% | 0.308 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -53.9 | -27.3 | 178.7 | 65.4 | 170 | -138.3 | 0 | 0 | 114.3 | R184 N190 L302 | R184-E186 VanDerWaalsContact C-N 3.27Å; R184-E186 HydrophobicContact CB-CG 4.24Å; R184-E186 IonicContact CZ-OE1 3.34Å; R184-E186 IonicContact CZ-OE2 3.05Å; R184-E186 IonicContact NH1-OE1 3.22Å; R184-E186 PolarHBondContact NH1-OE1 2.98Å; R184-E186 IonicContact NH1-OE2 3.45Å; R184-E186 PolarHBondContact NH1-OE2 3.17Å; R184-E186 IonicContact NH2-OE1 2.81Å; R184-E186 IonicContact NH2-OE2 2.77Å; R184-E186 PolarHBondContact NH2-OE2 2.91Å; R184-E186 PolarHBondContact O-N 2.7Å; R184-E186 VanDerWaalsContact O-N 3.15Å; E186-N190 PolarHBondContact O-ND2 2.77Å; E186-L302 VanDerWaalsContact C-CD1 3.46Å; E186-L302 HydrophobicContact CB-CD1 3.76Å; E186-L302 HydrophobicContact CG-CD1 3.56Å; E186-L302 WeakPolarHBondContact O-CD1 3.48Å |
| 187 | Y | 95.2 | Very high | 91.7 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -77.2 | -32.6 | 173.5 | -81 | -108.4 | 0 | 0 | 0 | 112.2 | R184 D185 W217 Y276 P300 L302 P305 | R184-Y187 HydrophobicContact CB-CD2 4.35Å; R184-Y187 WeakPolarHBondContact O-CB 3.35Å; R184-Y187 PolarHBondContact O-N 2.83Å; D185-Y187 PolarHBondContact O-N 2.77Å; Y187-W217 HydrophobicContact CD1-CH2 4.46Å; Y187-Y276 HydrophobicContact CE2-CD1 4.07Å; Y187-P300 HydrophobicContact CD1-CB 4.38Å; Y187-P300 HydrophobicContact CE1-CB 4.11Å; Y187-L302 HydrophobicContact CD2-CD1 3.81Å; Y187-L302 HydrophobicContact CE2-CB 4.24Å; Y187-L302 HydrophobicContact CE2-CD1 3.87Å; Y187-L302 HydrophobicContact CG-CD1 4.29Å; Y187-P305 HydrophobicContact CD1-CB 3.66Å; Y187-P305 HydrophobicContact CD1-CG 4.1Å; Y187-P305 HydrophobicContact CE1-CB 4.23Å; Y187-P305 WeakPolarHBondContact O-CG 3.49Å |
| 188 | L | 93.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -76.6 | -38.7 | -179.7 | -52.3 | 174.8 | 0 | 0 | 0 | 111.1 | F178 S181 I183 D185 N190 L191 L212 W217 F218 | F178-L188 HydrophobicContact CB-CD1 3.51Å; F178-L188 HydrophobicContact CD1-CB 4.2Å; F178-L188 HydrophobicContact CD1-CD1 3.99Å; F178-L188 HydrophobicContact CD2-CB 3.49Å; F178-L188 VanDerWaalsContact CD2-CB 3.49Å; F178-L188 HydrophobicContact CD2-CD1 3.9Å; F178-L188 HydrophobicContact CD2-CG 4.35Å; F178-L188 HydrophobicContact CE1-CB 4.17Å; F178-L188 HydrophobicContact CE2-CB 3.46Å; F178-L188 VanDerWaalsContact CE2-CB 3.46Å; F178-L188 HydrophobicContact CG-CB 3.87Å; F178-L188 HydrophobicContact CG-CD1 3.52Å; F178-L188 HydrophobicContact CG-CG 4.33Å; F178-L188 HydrophobicContact CZ-CB 3.81Å; S181-L188 WeakPolarHBondContact OG-CD1 3.35Å; I183-L188 HydrophobicContact CB-CD2 4.23Å; I183-L188 HydrophobicContact CG2-CD2 4.14Å; I183-L188 HydrophobicContact CG2-CG 4.49Å; D185-L188 WeakPolarHBondContact O-CA 3.22Å; D185-L188 WeakPolarHBondContact O-CB 3.34Å; D185-L188 PolarHBondContact O-N 3.31Å; L188-N190 PolarHBondContact O-N 2.89Å; L188-L191 HydrophobicContact CD2-CD1 4.41Å; L188-L191 WeakPolarHBondContact O-CB 3.2Å; L188-L191 PolarHBondContact O-N 2.59Å; L188-L212 HydrophobicContact CD2-CD2 4.07Å; L188-W217 HydrophobicContact CD2-CE3 4.17Å; L188-W217 HydrophobicContact CD2-CZ3 3.94Å; L188-F218 HydrophobicContact CD2-CE2 4.16Å; L188-F218 HydrophobicContact CD2-CZ 3.96Å |
| 189 | Q | 93.5 | Very high | 91.7 | Very high | 45 Ų | 45 | 54 Ų | 54 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.1 | -38.8 | 171.6 | -58.3 | -59.3 | -16.9 | 0 | 0 | 111.8 | V176 D185 L191 V192 | V176-Q189 PolarHBondContact O-NE2 3.02Å; D185-Q189 WeakPolarHBondContact O-CG 3.34Å; D185-Q189 PolarHBondContact O-N 2.74Å; D185-Q189 PolarHBondContact OD1-NE2 3.02Å; D185-Q189 VanDerWaalsContact OD2-CG 3.26Å; D185-Q189 WeakPolarHBondContact OD2-CG 3.45Å; D185-Q189 PolarHBondContact OD2-NE2 3.28Å; Q189-L191 PolarHBondContact O-N 3.47Å; Q189-V192 WeakPolarHBondContact O-CB 3.36Å; Q189-V192 WeakPolarHBondContact O-CG2 3.32Å; Q189-V192 PolarHBondContact O-N 2.93Å |
| 190 | N | 92.6 | Very high | 91.8 | Very high | 66 Ų | 66 | 49 Ų | 49 | 35% | 0.353 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 8.2 | 176.8 | -73.8 | -88 | 0 | 0 | 0 | 114.2 | E186 L188 L302 K303 | E186-N190 PolarHBondContact O-ND2 2.77Å; L188-N190 PolarHBondContact O-N 2.89Å; N190-L302 WeakPolarHBondContact CB-O 3.04Å; N190-L302 PolarHBondContact ND2-O 3.14Å; N190-K303 PolarHBondContact OD1-O 3.07Å |
| 191 | L | 91 | Very high | 91.8 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -14.9 | 166.5 | -65 | 171.5 | 0 | 0 | 0 | 112.7 | L188 Q189 R211 L212 T215 W217 P305 L306 | L188-L191 HydrophobicContact CD2-CD1 4.41Å; L188-L191 WeakPolarHBondContact O-CB 3.2Å; L188-L191 PolarHBondContact O-N 2.59Å; Q189-L191 PolarHBondContact O-N 3.47Å; L191-R211 WeakPolarHBondContact O-CD 3.42Å; L191-L212 HydrophobicContact CD1-CD2 3.91Å; L191-T215 HydrophobicContact CD1-CG2 3.52Å; L191-T215 HydrophobicContact CD2-CG2 4.29Å; L191-W217 HydrophobicContact CD1-CH2 4.46Å; L191-W217 HydrophobicContact CD1-CZ3 3.84Å; L191-P305 HydrophobicContact CD2-CG 3.94Å; L191-P305 HydrophobicContact CG-CG 4.1Å; L191-L306 HydrophobicContact CD2-CB 3.73Å |
| 192 | V | 92.3 | Very high | 91.3 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | trans | -61.2 | 125.2 | -180 | -172.2 | 0 | 0 | 0 | 0 | 109.7 | V176 F178 Q189 F194 L208 | V176-V192 HydrophobicContact CB-CG2 4.35Å; V176-V192 HydrophobicContact CG2-CG1 4.15Å; V176-V192 HydrophobicContact CG2-CG2 4.07Å; F178-V192 HydrophobicContact CZ-CG2 4.33Å; Q189-V192 WeakPolarHBondContact O-CB 3.36Å; Q189-V192 WeakPolarHBondContact O-CG2 3.32Å; Q189-V192 PolarHBondContact O-N 2.93Å; V192-F194 HydrophobicContact CG1-CD1 4.15Å; V192-F194 HydrophobicContact CG1-CD2 3.43Å; V192-F194 VanDerWaalsContact CG1-CD2 3.43Å; V192-F194 HydrophobicContact CG1-CE1 3.96Å; V192-F194 HydrophobicContact CG1-CE2 3.22Å; V192-F194 HydrophobicContact CG1-CG 3.9Å; V192-F194 HydrophobicContact CG1-CZ 3.5Å; V192-F194 VanDerWaalsContact CG1-CZ 3.5Å; V192-F194 VanDerWaalsContact CG1-O 3.3Å; V192-F194 WeakPolarHBondContact CG1-O 3.49Å; V192-L208 HydrophobicContact CG2-CD1 4.28Å | ||
| 193 | P | 89 | Confident | 90.6 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 25% | 0.253 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -76.8 | -23.6 | -176.8 | 26.1 | -28.9 | 0 | 0 | 0 | 113.8 | D204 E207 L208 | P193-D204 HydrophobicContact CG-CB 4.49Å; P193-D204 WeakPolarHBondContact CG-O 3.05Å; P193-E207 HydrophobicContact CB-CG 3.83Å; P193-E207 HydrophobicContact CG-CB 4.23Å; P193-E207 HydrophobicContact CG-CG 3.93Å; P193-L208 HydrophobicContact CG-CB 4.14Å |
| 194 | F | 92.2 | Very high | 90.2 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -107.2 | 168.8 | 177.8 | 47.1 | -95 | 0 | 0 | 0 | 111.6 | F173 V176 V192 D198 D204 L205 L208 L238 | F173-F194 HydrophobicContact CB-CD2 3.39Å; F173-F194 HydrophobicContact CB-CE2 3.71Å; F173-F194 HydrophobicContact CB-CG 4.11Å; F173-F194 HydrophobicContact CD1-CD1 4.29Å; F173-F194 AromaticContact CD1-CD2 3.89Å; F173-F194 HydrophobicContact CD1-CD2 3.89Å; F173-F194 HydrophobicContact CD1-CE1 4.08Å; F173-F194 AromaticContact CD1-CE2 3.62Å; F173-F194 HydrophobicContact CD1-CE2 3.62Å; F173-F194 HydrophobicContact CD1-CG 4.22Å; F173-F194 AromaticContact CD1-CZ 3.74Å; F173-F194 HydrophobicContact CD1-CZ 3.74Å; F173-F194 HydrophobicContact CD2-CB 3.61Å; F173-F194 AromaticContact CD2-CD1 3.78Å; F173-F194 HydrophobicContact CD2-CD1 3.78Å; F173-F194 AromaticContact CD2-CD2 3.6Å; F173-F194 HydrophobicContact CD2-CD2 3.6Å; F173-F194 HydrophobicContact CD2-CE1 4.38Å; F173-F194 HydrophobicContact CD2-CE2 4.2Å; F173-F194 AromaticContact CD2-CG 3.36Å; F173-F194 HydrophobicContact CD2-CG 3.36Å; F173-F194 HydrophobicContact CE1-CD1 4.15Å; F173-F194 AromaticContact CE1-CE1 3.85Å; F173-F194 HydrophobicContact CE1-CE1 3.85Å; F173-F194 HydrophobicContact CE1-CE2 4.23Å; F173-F194 HydrophobicContact CE1-CG 4.5Å; F173-F194 AromaticContact CE1-CZ 3.89Å; F173-F194 HydrophobicContact CE1-CZ 3.89Å; F173-F194 HydrophobicContact CE2-CB 3.99Å; F173-F194 AromaticContact CE2-CD1 3.6Å; F173-F194 HydrophobicContact CE2-CD1 3.6Å; F173-F194 HydrophobicContact CE2-CD2 4.28Å; F173-F194 HydrophobicContact CE2-CE1 4.15Å; F173-F194 AromaticContact CE2-CG 3.69Å; F173-F194 HydrophobicContact CE2-CG 3.69Å; F173-F194 HydrophobicContact CG-CB 4.29Å; F173-F194 HydrophobicContact CG-CD1 4.11Å; F173-F194 AromaticContact CG-CD2 3.35Å; F173-F194 HydrophobicContact CG-CD2 3.35Å; F173-F194 HydrophobicContact CG-CE1 4.34Å; F173-F194 AromaticContact CG-CE2 3.59Å; F173-F194 HydrophobicContact CG-CE2 3.59Å; F173-F194 AromaticContact CG-CG 3.64Å; F173-F194 HydrophobicContact CG-CG 3.64Å; F173-F194 HydrophobicContact CG-CZ 4.1Å; F173-F194 AromaticContact CZ-CD1 3.8Å; F173-F194 HydrophobicContact CZ-CD1 3.8Å; F173-F194 AromaticContact CZ-CE1 3.88Å; F173-F194 HydrophobicContact CZ-CE1 3.88Å; F173-F194 HydrophobicContact CZ-CG 4.25Å; F173-F194 HydrophobicContact CZ-CZ 4.37Å; V176-F194 HydrophobicContact CG2-CE2 3.92Å; V176-F194 HydrophobicContact CG2-CZ 4.27Å; V192-F194 HydrophobicContact CG1-CD1 4.15Å; V192-F194 HydrophobicContact CG1-CD2 3.43Å; V192-F194 VanDerWaalsContact CG1-CD2 3.43Å; V192-F194 HydrophobicContact CG1-CE1 3.96Å; V192-F194 HydrophobicContact CG1-CE2 3.22Å; V192-F194 HydrophobicContact CG1-CG 3.9Å; V192-F194 HydrophobicContact CG1-CZ 3.5Å; V192-F194 VanDerWaalsContact CG1-CZ 3.5Å; V192-F194 VanDerWaalsContact CG1-O 3.3Å; V192-F194 WeakPolarHBondContact CG1-O 3.49Å; F194-D198 HydrophobicContact CB-CB 4.24Å; F194-D204 HydrophobicContact CD1-CB 3.89Å; F194-D204 HydrophobicContact CE1-CB 4.38Å; F194-L205 HydrophobicContact CE1-CD2 4.5Å; F194-L205 HydrophobicContact CZ-CD2 4.45Å; F194-L208 HydrophobicContact CE1-CB 4.44Å; F194-L208 HydrophobicContact CE1-CD2 4.19Å; F194-L208 HydrophobicContact CZ-CD2 3.83Å; F194-L238 HydrophobicContact CE2-CD1 3.9Å; F194-L238 HydrophobicContact CZ-CD1 3.46Å; F194-L238 VanDerWaalsContact CZ-CD1 3.46Å |
| 195 | K | 90 | Very high | 89.5 | Confident | 150 Ų | 150 | 48 Ų | 48 | 65% | 0.652 | 24% | 0.242 | S | C | * | . | trans | -103.8 | 160.4 | 168.6 | -57.3 | 159.8 | -163.8 | 146.4 | 0 | 110 | G197 D198 | K195-G197 PolarHBondContact O-N 2.91Å; K195-D198 WeakPolarHBondContact CB-OD2 3.42Å; K195-D198 PolarHBondContact N-OD2 3.33Å; K195-D198 WeakPolarHBondContact O-CB 3.31Å; K195-D198 PolarHBondContact O-N 2.88Å; K195-D198 VanDerWaalsContact O-N 3.15Å | ||
| 196 | E | 89.8 | Confident | 88.7 | Confident | 125 Ų | 125 | 45.5 Ų | 45.5 | 58% | 0.584 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 122.9 | 165.1 | -179.4 | 155.1 | -139.1 | 0 | 0 | 109.9 | F173 H175 | F173-E196 CarbonylContact O-C 3.58Å; F173-E196 WeakPolarHBondContact O-CA 3.48Å; H175-E196 PolarHBondContact N-OE1 2.97Å |
| 197 | G | 89.3 | Confident | 88.1 | Confident | 30 Ų | 30 | 44.5 Ų | 44.5 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100 | -14.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116 | R172 F173 K195 | R172-G197 VanDerWaalsContact CD-O 3.3Å; R172-G197 WeakPolarHBondContact CD-O 3.14Å; R172-G197 WeakPolarHBondContact CG-O 3.05Å; R172-G197 PolarHBondContact NH1-O 3.42Å; F173-G197 PolarHBondContact O-N 3.29Å; K195-G197 PolarHBondContact O-N 2.91Å |
| 198 | D | 91.9 | Very high | 87.8 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -67.2 | 149.9 | 171.2 | -68.4 | -15.2 | 0 | 0 | 0 | 109.9 | R172 F173 F194 K195 | R172-D198 CarbonylContact C-O 3.53Å; R172-D198 WeakPolarHBondContact CA-O 2.92Å; R172-D198 WeakPolarHBondContact CB-O 3.36Å; F173-D198 PolarHBondContact N-O 2.8Å; F194-D198 HydrophobicContact CB-CB 4.24Å; K195-D198 WeakPolarHBondContact CB-OD2 3.42Å; K195-D198 PolarHBondContact N-OD2 3.33Å; K195-D198 WeakPolarHBondContact O-CB 3.31Å; K195-D198 PolarHBondContact O-N 2.88Å; K195-D198 VanDerWaalsContact O-N 3.15Å |
| 199 | E | 93 | Very high | 87.1 | Confident | 82 Ų | 82 | 44.1 Ų | 44.1 | 38% | 0.383 | 23% | 0.225 | S | C | . | . | B | Isolated β-bridge | trans | -71.8 | 139.4 | -177.7 | -63.8 | -173.9 | -176.8 | 0 | 0 | 111.9 | R170 R172 | R170-E199 WeakPolarHBondContact CD-OE2 3.48Å; R170-E199 IonicContact CZ-OE2 2.84Å; R170-E199 IonicContact NE-OE2 3.17Å; R170-E199 IonicContact NH1-OE2 3.54Å; R170-E199 PolarHBondContact NH1-OE2 2.97Å; R172-E199 HydrophobicContact CG-CG 4.44Å; R172-E199 IonicContact CZ-OE1 2.95Å; R172-E199 IonicContact NH1-OE1 2.79Å; R172-E199 IonicContact NH2-OE1 3.42Å; R172-E199 PolarHBondContact NH2-OE1 2.78Å |
| 200 | Y | 90.9 | Very high | 86.4 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 136.4 | -175.2 | 178.4 | -78.9 | 0 | 0 | 0 | 112.1 | K138 F141 R170 Y171 F173 L205 L236 | K138-Y200 CarbonylContact C-O 3.59Å; F141-Y200 AromaticContact CE2-CD1 3.84Å; F141-Y200 HydrophobicContact CE2-CD1 3.84Å; F141-Y200 AromaticContact CE2-CD2 3.87Å; F141-Y200 HydrophobicContact CE2-CD2 3.87Å; F141-Y200 AromaticContact CE2-CE1 3.9Å; F141-Y200 HydrophobicContact CE2-CE1 3.9Å; F141-Y200 AromaticContact CE2-CE2 3.91Å; F141-Y200 HydrophobicContact CE2-CE2 3.91Å; F141-Y200 AromaticContact CE2-CG 3.84Å; F141-Y200 HydrophobicContact CE2-CG 3.84Å; F141-Y200 AromaticContact CE2-CZ 3.94Å; F141-Y200 AromaticContact CZ-CD1 3.92Å; F141-Y200 HydrophobicContact CZ-CD1 3.92Å; F141-Y200 HydrophobicContact CZ-CD2 4.31Å; F141-Y200 AromaticContact CZ-CE1 3.51Å; F141-Y200 HydrophobicContact CZ-CE1 3.51Å; F141-Y200 AromaticContact CZ-CE2 3.93Å; F141-Y200 HydrophobicContact CZ-CE2 3.93Å; F141-Y200 HydrophobicContact CZ-CG 4.32Å; F141-Y200 AromaticContact CZ-CZ 3.52Å; R170-Y200 PolarHBondContact NE-O 2.92Å; R170-Y200 PolarHBondContact NH2-O 3.21Å; Y171-Y200 WeakPolarHBondContact O-CB 3.22Å; Y171-Y200 PolarHBondContact O-N 2.79Å; F173-Y200 AromaticContact CD1-CD2 3.83Å; F173-Y200 HydrophobicContact CD1-CD2 3.83Å; F173-Y200 HydrophobicContact CD1-CE2 4.44Å; F173-Y200 AromaticContact CE1-CD2 3.27Å; F173-Y200 HydrophobicContact CE1-CD2 3.27Å; F173-Y200 AromaticContact CE1-CE2 3.61Å; F173-Y200 HydrophobicContact CE1-CE2 3.61Å; F173-Y200 HydrophobicContact CE1-CG 4.1Å; F173-Y200 AromaticContact CZ-CD2 3.73Å; F173-Y200 HydrophobicContact CZ-CD2 3.73Å; F173-Y200 HydrophobicContact CZ-CE2 4.15Å; F173-Y200 HydrophobicContact CZ-CG 4.12Å; Y200-L205 HydrophobicContact CE2-CD1 3.88Å; Y200-L205 HydrophobicContact CE2-CD2 4.4Å; Y200-L205 HydrophobicContact CE2-CG 3.95Å; Y200-L205 WeakPolarHBondContact OH-CD1 3.46Å; Y200-L236 HydrophobicContact CD2-CD2 4.05Å; Y200-L236 HydrophobicContact CE2-CD2 4.17Å |
| 201 | E | 88 | Confident | 86.2 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | trans | -145.1 | 137.7 | 161.3 | -141.9 | 175.4 | 125 | 0 | 0 | 111.6 | R137 R170 K203 D204 | R137-E201 CarbonylContact O-C 3.55Å; R137-E201 WeakPolarHBondContact O-CA 3.47Å; R137-E201 WeakPolarHBondContact O-CG 3.33Å; R170-E201 IonicContact NH2-OE2 2.83Å; E201-K203 HydrophobicContact CB-CG 4.25Å; E201-K203 VanDerWaalsContact CD-CE 3.48Å; E201-K203 HydrophobicContact CG-CD 4.47Å; E201-K203 HydrophobicContact CG-CG 4.4Å; E201-K203 PolarHBondContact O-N 2.87Å; E201-K203 VanDerWaalsContact OE1-CD 3.27Å; E201-K203 WeakPolarHBondContact OE1-CD 3.5Å; E201-K203 VanDerWaalsContact OE1-CE 3.27Å; E201-K203 WeakPolarHBondContact OE1-CE 3.44Å; E201-K203 IonicContact OE1-NZ 3.89Å; E201-K203 PolarHBondContact OE1-NZ 2.7Å; E201-K203 IonicContact OE2-NZ 3.54Å; E201-K203 PolarHBondContact OE2-NZ 2.96Å; E201-D204 WeakPolarHBondContact CB-OD2 3.46Å; E201-D204 WeakPolarHBondContact O-CB 3.48Å; E201-D204 PolarHBondContact O-N 2.89Å | ||
| 202 | S | 78.7 | Confident | 86.1 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65 | -27 | -173.2 | 65.2 | 0 | 0 | 0 | 0 | 113 | R137 D204 L205 A206 | R137-S202 PolarHBondContact O-N 3.4Å; S202-D204 PolarHBondContact O-N 3.25Å; S202-L205 PolarHBondContact O-N 2.66Å; S202-A206 PolarHBondContact O-N 2.88Å |
| 203 | K | 78.1 | Confident | 85.5 | Confident | 107 Ų | 107 | 49.1 Ų | 49.1 | 47% | 0.465 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.7 | -31.6 | 171.3 | 78.7 | -173.7 | 175.2 | -148 | 0 | 112.2 | E201 A206 E207 | E201-K203 HydrophobicContact CB-CG 4.25Å; E201-K203 VanDerWaalsContact CD-CE 3.48Å; E201-K203 HydrophobicContact CG-CD 4.47Å; E201-K203 HydrophobicContact CG-CG 4.4Å; E201-K203 PolarHBondContact O-N 2.87Å; E201-K203 VanDerWaalsContact OE1-CD 3.27Å; E201-K203 WeakPolarHBondContact OE1-CD 3.5Å; E201-K203 VanDerWaalsContact OE1-CE 3.27Å; E201-K203 WeakPolarHBondContact OE1-CE 3.44Å; E201-K203 IonicContact OE1-NZ 3.89Å; E201-K203 PolarHBondContact OE1-NZ 2.7Å; E201-K203 IonicContact OE2-NZ 3.54Å; E201-K203 PolarHBondContact OE2-NZ 2.96Å; K203-A206 WeakPolarHBondContact O-CB 3.49Å; K203-A206 PolarHBondContact O-N 2.83Å; K203-E207 WeakPolarHBondContact O-CB 3.41Å; K203-E207 PolarHBondContact O-N 3.09Å |
| 204 | D | 85.5 | Confident | 85.2 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -85 | -26.3 | -175 | -58.1 | -52.6 | 0 | 0 | 0 | 111.4 | F173 P193 F194 E201 S202 L208 | F173-D204 HydrophobicContact CE2-CB 4.06Å; F173-D204 HydrophobicContact CZ-CB 3.98Å; P193-D204 HydrophobicContact CG-CB 4.49Å; P193-D204 WeakPolarHBondContact CG-O 3.05Å; F194-D204 HydrophobicContact CD1-CB 3.89Å; F194-D204 HydrophobicContact CE1-CB 4.38Å; E201-D204 WeakPolarHBondContact CB-OD2 3.46Å; E201-D204 WeakPolarHBondContact O-CB 3.48Å; E201-D204 PolarHBondContact O-N 2.89Å; S202-D204 PolarHBondContact O-N 3.25Å; D204-L208 WeakPolarHBondContact O-CB 3.39Å; D204-L208 PolarHBondContact O-N 2.77Å |
| 205 | L | 80.8 | Confident | 85 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 160.4 | -69.3 | -164.3 | 0 | 0 | 0 | 111.4 | F173 F194 Y200 S202 E207 L208 N209 V223 L238 | F173-L205 HydrophobicContact CE1-CD2 3.73Å; F173-L205 HydrophobicContact CE1-CG 4.23Å; F173-L205 HydrophobicContact CZ-CD2 4.47Å; F194-L205 HydrophobicContact CE1-CD2 4.5Å; F194-L205 HydrophobicContact CZ-CD2 4.45Å; Y200-L205 HydrophobicContact CE2-CD1 3.88Å; Y200-L205 HydrophobicContact CE2-CD2 4.4Å; Y200-L205 HydrophobicContact CE2-CG 3.95Å; Y200-L205 WeakPolarHBondContact OH-CD1 3.46Å; S202-L205 PolarHBondContact O-N 2.66Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-E207 PolarHBondContact O-N 2.87Å; L205-L208 PolarHBondContact O-N 3.14Å; L205-N209 WeakPolarHBondContact O-CB 3.39Å; L205-N209 PolarHBondContact O-N 2.95Å; L205-V223 HydrophobicContact CD2-CG1 4.01Å; L205-L238 HydrophobicContact CD2-CD1 3.4Å; L205-L238 VanDerWaalsContact CD2-CD1 3.4Å; L205-L238 HydrophobicContact CD2-CD2 4.06Å; L205-L238 HydrophobicContact CD2-CG 4.37Å |
| 206 | A | 73 | Confident | 84.8 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S202 K203 N209 R210 | S202-A206 PolarHBondContact O-N 2.88Å; K203-A206 WeakPolarHBondContact O-CB 3.49Å; K203-A206 PolarHBondContact O-N 2.83Å; A206-N209 PolarHBondContact O-N 2.86Å; A206-R210 VanDerWaalsContact O-CB 3.28Å; A206-R210 WeakPolarHBondContact O-CB 3.12Å; A206-R210 PolarHBondContact O-N 3.08Å |
| 207 | E | 82.8 | Confident | 84.9 | Confident | 45 Ų | 45 | 38.6 Ų | 38.6 | 21% | 0.21 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 173.2 | 174 | 61.7 | -176.7 | 0 | 0 | 112 | P193 K203 L205 R210 R211 | P193-E207 HydrophobicContact CB-CG 3.83Å; P193-E207 HydrophobicContact CG-CB 4.23Å; P193-E207 HydrophobicContact CG-CG 3.93Å; K203-E207 WeakPolarHBondContact O-CB 3.41Å; K203-E207 PolarHBondContact O-N 3.09Å; L205-E207 VanDerWaalsContact C-N 3.33Å; L205-E207 PolarHBondContact O-N 2.87Å; E207-R210 PolarHBondContact O-N 3.49Å; E207-R210 IonicContact OE1-CZ 2.79Å; E207-R210 IonicContact OE1-NH2 3.7Å; E207-R210 PolarHBondContact OE1-NH2 2.87Å; E207-R210 IonicContact OE2-CZ 3.05Å; E207-R210 IonicContact OE2-NE 2.72Å; E207-R210 PolarHBondContact OE2-NE 3.07Å; E207-R210 IonicContact OE2-NH2 3.6Å; E207-R210 PolarHBondContact OE2-NH2 2.97Å; E207-R211 HydrophobicContact CG-CG 4.49Å; E207-R211 WeakPolarHBondContact O-CB 3.37Å; E207-R211 VanDerWaalsContact O-CG 3.28Å; E207-R211 WeakPolarHBondContact O-CG 3Å; E207-R211 PolarHBondContact O-N 3.07Å; E207-R211 IonicContact OE1-CZ 3.7Å; E207-R211 IonicContact OE1-NE 3.79Å; E207-R211 PolarHBondContact OE1-NE 3.12Å; E207-R211 IonicContact OE1-NH2 2.75Å; E207-R211 PolarHBondContact OE1-NH2 2.98Å |
| 208 | L | 89.2 | Confident | 85 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59 | -48.7 | 172.1 | 175.1 | 49.9 | 0 | 0 | 0 | 111 | V176 V192 P193 F194 D204 L205 R210 R211 L212 V223 | V176-L208 HydrophobicContact CG1-CD2 4.44Å; V192-L208 HydrophobicContact CG2-CD1 4.28Å; P193-L208 HydrophobicContact CG-CB 4.14Å; F194-L208 HydrophobicContact CE1-CB 4.44Å; F194-L208 HydrophobicContact CE1-CD2 4.19Å; F194-L208 HydrophobicContact CZ-CD2 3.83Å; D204-L208 WeakPolarHBondContact O-CB 3.39Å; D204-L208 PolarHBondContact O-N 2.77Å; L205-L208 PolarHBondContact O-N 3.14Å; L208-R210 VanDerWaalsContact C-N 3.31Å; L208-R210 PolarHBondContact O-N 2.9Å; L208-R211 PolarHBondContact O-N 3.04Å; L208-L212 HydrophobicContact CD1-CD1 3.63Å; L208-L212 HydrophobicContact CD1-CG 3.94Å; L208-L212 HydrophobicContact CG-CD1 3.89Å; L208-L212 WeakPolarHBondContact O-CB 3.38Å; L208-L212 WeakPolarHBondContact O-CD1 3.37Å; L208-L212 WeakPolarHBondContact O-CG 3.32Å; L208-L212 PolarHBondContact O-N 2.8Å; L208-V223 HydrophobicContact CD2-CG1 4.21Å; L208-V223 HydrophobicContact CD2-CG2 4.39Å; L208-V223 HydrophobicContact CG-CG2 4.28Å |
| 209 | N | 77.8 | Confident | 84 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 177.7 | -161.8 | 85.9 | 0 | 0 | 0 | 111.9 | L205 A206 S213 V221 L1630 | L205-N209 WeakPolarHBondContact O-CB 3.39Å; L205-N209 PolarHBondContact O-N 2.95Å; A206-N209 PolarHBondContact O-N 2.86Å; N209-S213 WeakPolarHBondContact O-CB 3.45Å; N209-S213 PolarHBondContact O-N 2.84Å; N209-S213 PolarHBondContact O-OG 2.94Å; N209-V221 WeakPolarHBondContact OD1-CB 3.21Å; N209-V221 WeakPolarHBondContact OD1-CG1 3.36Å; N209-V221 PolarHBondContact OD1-O 3.17Å; N209-L1630 VanDerWaalsContact ND2-CD2 3.33Å; N209-L1630 WeakPolarHBondContact ND2-CD2 3.37Å |
| 210 | R | 79.2 | Confident | 83 | Confident | 115 Ų | 115 | 36.6 Ų | 36.6 | 43% | 0.434 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.6 | -43.1 | 175.2 | -168.3 | -166.6 | 67.9 | 79.9 | 3.2 | 111.9 | A206 E207 L208 S213 A214 | A206-R210 VanDerWaalsContact O-CB 3.28Å; A206-R210 WeakPolarHBondContact O-CB 3.12Å; A206-R210 PolarHBondContact O-N 3.08Å; E207-R210 PolarHBondContact O-N 3.49Å; E207-R210 IonicContact OE1-CZ 2.79Å; E207-R210 IonicContact OE1-NH2 3.7Å; E207-R210 PolarHBondContact OE1-NH2 2.87Å; E207-R210 IonicContact OE2-CZ 3.05Å; E207-R210 IonicContact OE2-NE 2.72Å; E207-R210 PolarHBondContact OE2-NE 3.07Å; E207-R210 IonicContact OE2-NH2 3.6Å; E207-R210 PolarHBondContact OE2-NH2 2.97Å; L208-R210 VanDerWaalsContact C-N 3.31Å; L208-R210 PolarHBondContact O-N 2.9Å; R210-S213 PolarHBondContact O-N 3.05Å; R210-A214 VanDerWaalsContact O-CB 3.23Å; R210-A214 WeakPolarHBondContact O-CB 3.41Å; R210-A214 PolarHBondContact O-N 3.42Å |
| 211 | R | 88.5 | Confident | 82.3 | Confident | 73 Ų | 73 | 36.5 Ų | 36.5 | 28% | 0.275 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.1 | -48.4 | 176.9 | -76.8 | 178.2 | -176.8 | -163.9 | 5.3 | 111.7 | L191 E207 L208 S213 A214 T215 L306 | L191-R211 WeakPolarHBondContact O-CD 3.42Å; E207-R211 HydrophobicContact CG-CG 4.49Å; E207-R211 WeakPolarHBondContact O-CB 3.37Å; E207-R211 VanDerWaalsContact O-CG 3.28Å; E207-R211 WeakPolarHBondContact O-CG 3Å; E207-R211 PolarHBondContact O-N 3.07Å; E207-R211 IonicContact OE1-CZ 3.7Å; E207-R211 IonicContact OE1-NE 3.79Å; E207-R211 PolarHBondContact OE1-NE 3.12Å; E207-R211 IonicContact OE1-NH2 2.75Å; E207-R211 PolarHBondContact OE1-NH2 2.98Å; L208-R211 PolarHBondContact O-N 3.04Å; R211-S213 VanDerWaalsContact C-N 3.31Å; R211-S213 PolarHBondContact O-N 2.75Å; R211-A214 PolarHBondContact O-N 3.22Å; R211-A214 VanDerWaalsContact O-N 3.13Å; R211-T215 WeakPolarHBondContact O-CG2 3.17Å; R211-T215 PolarHBondContact O-N 3.14Å; R211-T215 VanDerWaalsContact O-N 3.16Å; R211-L306 HydrophobicContact CB-CD2 4.38Å; R211-L306 HydrophobicContact CG-CD2 4.14Å |
| 212 | L | 88.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.4 | -44.5 | 175.1 | -70.8 | 161.8 | 0 | 0 | 0 | 111 | F178 L188 L191 L208 T215 F218 V221 V223 | F178-L212 HydrophobicContact CE1-CD1 3.91Å; F178-L212 HydrophobicContact CE1-CD2 4.02Å; L188-L212 HydrophobicContact CD2-CD2 4.07Å; L191-L212 HydrophobicContact CD1-CD2 3.91Å; L208-L212 HydrophobicContact CD1-CD1 3.63Å; L208-L212 HydrophobicContact CD1-CG 3.94Å; L208-L212 HydrophobicContact CG-CD1 3.89Å; L208-L212 WeakPolarHBondContact O-CB 3.38Å; L208-L212 WeakPolarHBondContact O-CD1 3.37Å; L208-L212 WeakPolarHBondContact O-CG 3.32Å; L208-L212 PolarHBondContact O-N 2.8Å; L212-T215 PolarHBondContact O-N 3Å; L212-T215 PolarHBondContact O-OG1 2.75Å; L212-F218 HydrophobicContact CB-CD2 4.47Å; L212-F218 HydrophobicContact CD2-CE2 4.09Å; L212-V221 HydrophobicContact CB-CG1 3.87Å; L212-V221 HydrophobicContact CB-CG2 3.98Å; L212-V221 HydrophobicContact CD1-CG1 3.61Å; L212-V221 HydrophobicContact CG-CG1 4.38Å; L212-V223 HydrophobicContact CD1-CG2 4.3Å |
| 213 | S | 80.3 | Confident | 81.6 | Confident | 54 Ų | 54 | 35.5 Ų | 35.5 | 38% | 0.378 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.8 | -41 | 174.7 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | N209 R210 R211 T215 G216 | N209-S213 WeakPolarHBondContact O-CB 3.45Å; N209-S213 PolarHBondContact O-N 2.84Å; N209-S213 PolarHBondContact O-OG 2.94Å; R210-S213 PolarHBondContact O-N 3.05Å; R211-S213 VanDerWaalsContact C-N 3.31Å; R211-S213 PolarHBondContact O-N 2.75Å; S213-T215 PolarHBondContact O-N 3.14Å; S213-G216 PolarHBondContact O-N 2.91Å; S213-G216 VanDerWaalsContact O-N 3.09Å |
| 214 | A | 81.4 | Confident | 81.4 | Confident | 54 Ų | 54 | 31.1 Ų | 31.1 | 45% | 0.446 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.8 | -18.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R210 R211 G216 L306 | R210-A214 VanDerWaalsContact O-CB 3.23Å; R210-A214 WeakPolarHBondContact O-CB 3.41Å; R210-A214 PolarHBondContact O-N 3.42Å; R211-A214 PolarHBondContact O-N 3.22Å; R211-A214 VanDerWaalsContact O-N 3.13Å; A214-G216 PolarHBondContact O-N 2.8Å; A214-L306 HydrophobicContact CB-CD1 4Å; A214-L306 HydrophobicContact CB-CD2 4.42Å |
| 215 | T | 89.2 | Confident | 81.2 | Confident | 26 Ų | 26 | 30 Ų | 30 | 16% | 0.16 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.5 | 169.5 | 68.8 | 0 | 0 | 0 | 0 | 113 | L191 R211 L212 S213 W217 | L191-T215 HydrophobicContact CD1-CG2 3.52Å; L191-T215 HydrophobicContact CD2-CG2 4.29Å; R211-T215 WeakPolarHBondContact O-CG2 3.17Å; R211-T215 PolarHBondContact O-N 3.14Å; R211-T215 VanDerWaalsContact O-N 3.16Å; L212-T215 PolarHBondContact O-N 3Å; L212-T215 PolarHBondContact O-OG1 2.75Å; S213-T215 PolarHBondContact O-N 3.14Å; T215-W217 VanDerWaalsContact CB-CD2 3.49Å; T215-W217 HydrophobicContact CG2-CD2 4.02Å; T215-W217 HydrophobicContact CG2-CE3 3.65Å; T215-W217 HydrophobicContact CG2-CH2 4.11Å; T215-W217 HydrophobicContact CG2-CZ2 4.42Å; T215-W217 HydrophobicContact CG2-CZ3 3.71Å; T215-W217 PolarHBondContact O-N 2.84Å; T215-W217 WeakPolarHBondContact OG1-CB 3.17Å; T215-W217 PolarHBondContact OG1-N 3.15Å |
| 216 | G | 85 | Confident | 81.1 | Confident | 22 Ų | 22 | 33.8 Ų | 33.8 | 23% | 0.227 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 72.4 | 5.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S213 A214 F218 R245 P271 | S213-G216 PolarHBondContact O-N 2.91Å; S213-G216 VanDerWaalsContact O-N 3.09Å; A214-G216 PolarHBondContact O-N 2.8Å; G216-F218 VanDerWaalsContact C-N 3.34Å; G216-R245 WeakPolarHBondContact O-CD 3.11Å; G216-P271 WeakPolarHBondContact O-CB 3.36Å |
| 217 | W | 92.4 | Very high | 81.3 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | trans | -76.5 | -18.5 | -179.5 | -58.4 | -31 | 0 | 0 | 0 | 114.1 | Q182 I183 Y187 L188 L191 T215 R245 G277 P300 P305 | Q182-W217 PolarHBondContact NE2-O 2.65Å; I183-W217 HydrophobicContact CB-CE3 4.32Å; I183-W217 HydrophobicContact CD1-CB 4.45Å; I183-W217 HydrophobicContact CD1-CD2 4.18Å; I183-W217 HydrophobicContact CD1-CG 4.14Å; I183-W217 HydrophobicContact CG1-CB 4.12Å; I183-W217 HydrophobicContact CG1-CD2 3.9Å; I183-W217 HydrophobicContact CG1-CE3 3.8Å; I183-W217 HydrophobicContact CG1-CG 4.07Å; I183-W217 HydrophobicContact CG2-CE3 3.98Å; I183-W217 HydrophobicContact CG2-CH2 4.3Å; I183-W217 HydrophobicContact CG2-CZ3 3.84Å; Y187-W217 HydrophobicContact CD1-CH2 4.46Å; L188-W217 HydrophobicContact CD2-CE3 4.17Å; L188-W217 HydrophobicContact CD2-CZ3 3.94Å; L191-W217 HydrophobicContact CD1-CH2 4.46Å; L191-W217 HydrophobicContact CD1-CZ3 3.84Å; T215-W217 VanDerWaalsContact CB-CD2 3.49Å; T215-W217 HydrophobicContact CG2-CD2 4.02Å; T215-W217 HydrophobicContact CG2-CE3 3.65Å; T215-W217 HydrophobicContact CG2-CH2 4.11Å; T215-W217 HydrophobicContact CG2-CZ2 4.42Å; T215-W217 HydrophobicContact CG2-CZ3 3.71Å; T215-W217 PolarHBondContact O-N 2.84Å; T215-W217 WeakPolarHBondContact OG1-CB 3.17Å; T215-W217 PolarHBondContact OG1-N 3.15Å; W217-R245 WeakPolarHBondContact O-CB 3.27Å; W217-R245 PolarHBondContact O-N 3.48Å; W217-G277 PolarHBondContact NE1-O 3.37Å; W217-G277 VanDerWaalsContact NE1-O 3.1Å; W217-P300 HydrophobicContact CZ2-CB 4.3Å; W217-P300 HydrophobicContact CZ2-CG 4.01Å; W217-P305 HydrophobicContact CH2-CB 4.07Å; W217-P305 HydrophobicContact CH2-CG 4.24Å | ||
| 218 | F | 90.1 | Very high | 80.6 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 156.6 | -170.7 | -52.1 | -60.4 | 0 | 0 | 0 | 113.6 | I183 L188 L212 G216 V221 V242 S243 R245 | I183-F218 HydrophobicContact CG1-CE1 4.38Å; I183-F218 HydrophobicContact CG1-CZ 4.14Å; L188-F218 HydrophobicContact CD2-CE2 4.16Å; L188-F218 HydrophobicContact CD2-CZ 3.96Å; L212-F218 HydrophobicContact CB-CD2 4.47Å; L212-F218 HydrophobicContact CD2-CE2 4.09Å; G216-F218 VanDerWaalsContact C-N 3.34Å; F218-V221 HydrophobicContact CB-CG2 3.98Å; F218-V221 HydrophobicContact CD2-CG2 4.18Å; F218-V221 HydrophobicContact CG-CG2 4.39Å; F218-V242 HydrophobicContact CD1-CB 3.7Å; F218-V242 HydrophobicContact CD1-CG1 4.46Å; F218-V242 HydrophobicContact CD1-CG2 3.8Å; F218-V242 HydrophobicContact CD2-CB 4.34Å; F218-V242 HydrophobicContact CD2-CG1 4.25Å; F218-V242 HydrophobicContact CE1-CB 3.89Å; F218-V242 HydrophobicContact CE1-CG2 3.47Å; F218-V242 VanDerWaalsContact CE1-CG2 3.47Å; F218-V242 HydrophobicContact CE2-CB 4.5Å; F218-V242 HydrophobicContact CE2-CG1 4.33Å; F218-V242 HydrophobicContact CE2-CG2 4.49Å; F218-V242 HydrophobicContact CG-CB 3.95Å; F218-V242 HydrophobicContact CG-CG1 4.32Å; F218-V242 HydrophobicContact CG-CG2 4.46Å; F218-V242 HydrophobicContact CZ-CB 4.29Å; F218-V242 HydrophobicContact CZ-CG1 4.48Å; F218-V242 HydrophobicContact CZ-CG2 3.86Å; F218-S243 CarbonylContact C-O 3.46Å; F218-S243 VanDerWaalsContact CA-O 3.22Å; F218-S243 WeakPolarHBondContact CA-O 3.49Å; F218-S243 WeakPolarHBondContact CB-O 3.31Å; F218-R245 PolarHBondContact O-NH1 3.23Å |
| 219 | N | 71.5 | Confident | 79.4 | Confident | 85 Ų | 85 | 47.7 Ų | 47.7 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -38.5 | 170.6 | -88.6 | -22.2 | 0 | 0 | 0 | 111.4 | S243 P244 | N219-S243 PolarHBondContact N-O 3.11Å; N219-P244 PolarHBondContact ND2-O 2.85Å; N219-P244 VanDerWaalsContact ND2-O 3.1Å |
| 220 | S | 72.6 | Confident | 79.5 | Confident | 41 Ų | 41 | 47.1 Ų | 47.1 | 29% | 0.287 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 152.6 | 174 | 57.8 | 0 | 0 | 0 | 0 | 109.9 | S243 | S220-S243 PolarHBondContact O-N 3.4Å; S220-S243 VanDerWaalsContact OG-CB 3.23Å; S220-S243 WeakPolarHBondContact OG-CB 3.38Å |
| 221 | V | 75.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133.3 | 178 | -176.6 | 0 | 0 | 0 | 0 | 106.6 | N209 L212 F218 V223 V242 | N209-V221 WeakPolarHBondContact OD1-CB 3.21Å; N209-V221 WeakPolarHBondContact OD1-CG1 3.36Å; N209-V221 PolarHBondContact OD1-O 3.17Å; L212-V221 HydrophobicContact CB-CG1 3.87Å; L212-V221 HydrophobicContact CB-CG2 3.98Å; L212-V221 HydrophobicContact CD1-CG1 3.61Å; L212-V221 HydrophobicContact CG-CG1 4.38Å; F218-V221 HydrophobicContact CB-CG2 3.98Å; F218-V221 HydrophobicContact CD2-CG2 4.18Å; F218-V221 HydrophobicContact CG-CG2 4.39Å; V221-V223 HydrophobicContact CG1-CG2 4.28Å; V221-V242 HydrophobicContact CB-CG1 4.31Å; V221-V242 HydrophobicContact CG1-CG1 3.93Å; V221-V242 HydrophobicContact CG2-CG1 4.14Å |
| 222 | V | 73.9 | Confident | 78.9 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 16% | 0.158 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 120.3 | 172.5 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | G240 V241 | V222-G240 CarbonylContact O-C 3.13Å; V222-G240 WeakPolarHBondContact O-CA 3.32Å; V222-V241 PolarHBondContact N-O 2.87Å; V222-V241 PolarHBondContact O-N 2.74Å |
| 223 | V | 79 | Confident | 78.9 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 114.7 | 175 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | L205 L208 L212 V221 L238 N1605 | L205-V223 HydrophobicContact CD2-CG1 4.01Å; L208-V223 HydrophobicContact CD2-CG1 4.21Å; L208-V223 HydrophobicContact CD2-CG2 4.39Å; L208-V223 HydrophobicContact CG-CG2 4.28Å; L212-V223 HydrophobicContact CD1-CG2 4.3Å; V221-V223 HydrophobicContact CG1-CG2 4.28Å; V223-L238 HydrophobicContact CG1-CB 4.22Å; V223-L238 HydrophobicContact CG1-CD1 4.26Å; V223-N1605 PolarHBondContact O-ND2 2.8Å; V223-N1605 VanDerWaalsContact O-ND2 3.16Å |
| 224 | A | 73.8 | Confident | 79.3 | Confident | 15 Ų | 15 | 55 Ų | 55 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T239 | A224-T239 PolarHBondContact N-O 3.01Å; A224-T239 PolarHBondContact O-N 3.11Å |
| 225 | P | 80.1 | Confident | 79.8 | Confident | 18 Ų | 18 | 54.6 Ų | 54.6 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 156.1 | 173.4 | 28.2 | -34.1 | 0 | 0 | 0 | 112.4 | F227 L236 L238 N1605 | P225-F227 HydrophobicContact CB-CD2 4.49Å; P225-F227 HydrophobicContact CB-CE2 3.91Å; P225-F227 HydrophobicContact CB-CZ 3.91Å; P225-F227 HydrophobicContact CG-CD2 4.39Å; P225-F227 HydrophobicContact CG-CE2 3.55Å; P225-F227 HydrophobicContact CG-CZ 3.82Å; P225-L236 HydrophobicContact CB-CD1 3.94Å; P225-L236 HydrophobicContact CB-CD2 3.68Å; P225-L236 HydrophobicContact CB-CG 3.85Å; P225-L238 HydrophobicContact CB-CD2 3.96Å; P225-N1605 WeakPolarHBondContact CD-ND2 3.28Å |
| 226 | Q | 80.1 | Confident | 79.8 | Confident | 82 Ų | 82 | 53.3 Ų | 53.3 | 38% | 0.383 | 28% | 0.275 | S | S | . | . | trans | -121.3 | 88.3 | -178 | -60.9 | -68 | -82.5 | 0 | 0 | 110.4 | D228 P237 T239 | Q226-D228 PolarHBondContact O-N 2.94Å; Q226-P237 HydrophobicContact CB-CG 4.18Å; Q226-P237 WeakPolarHBondContact CB-O 3.41Å; Q226-P237 PolarHBondContact N-O 3.14Å; Q226-T239 VanDerWaalsContact CD-OG1 3.32Å; Q226-T239 VanDerWaalsContact CG-OG1 3.29Å; Q226-T239 WeakPolarHBondContact CG-OG1 3.34Å | ||
| 227 | F | 77.2 | Confident | 80.1 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 15% | 0.154 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -73.6 | -26.2 | -168.8 | -72.3 | -67.2 | 0 | 0 | 0 | 115.3 | F141 Y171 P225 K229 A230 R231 L236 | F141-F227 HydrophobicContact CB-CD1 4.29Å; F141-F227 HydrophobicContact CB-CE1 3.55Å; F141-F227 HydrophobicContact CB-CZ 4.19Å; F141-F227 AromaticContact CD1-CE1 3.93Å; F141-F227 HydrophobicContact CD1-CE1 3.93Å; F141-F227 AromaticContact CD1-CZ 3.72Å; F141-F227 HydrophobicContact CD1-CZ 3.72Å; F141-F227 AromaticContact CD2-CE1 3.56Å; F141-F227 HydrophobicContact CD2-CE1 3.56Å; F141-F227 AromaticContact CD2-CZ 3.99Å; F141-F227 HydrophobicContact CD2-CZ 3.99Å; F141-F227 HydrophobicContact CE1-CE1 4.46Å; F141-F227 AromaticContact CE1-CZ 3.96Å; F141-F227 HydrophobicContact CE1-CZ 3.96Å; F141-F227 HydrophobicContact CE2-CE1 4.12Å; F141-F227 HydrophobicContact CE2-CZ 4.19Å; F141-F227 AromaticContact CG-CE1 3.43Å; F141-F227 HydrophobicContact CG-CE1 3.43Å; F141-F227 VanDerWaalsContact CG-CE1 3.43Å; F141-F227 AromaticContact CG-CZ 3.73Å; F141-F227 HydrophobicContact CG-CZ 3.73Å; F141-F227 HydrophobicContact CZ-CZ 4.16Å; Y171-F227 HydrophobicContact CE1-CD1 4.46Å; P225-F227 HydrophobicContact CB-CD2 4.49Å; P225-F227 HydrophobicContact CB-CE2 3.91Å; P225-F227 HydrophobicContact CB-CZ 3.91Å; P225-F227 HydrophobicContact CG-CD2 4.39Å; P225-F227 HydrophobicContact CG-CE2 3.55Å; P225-F227 HydrophobicContact CG-CZ 3.82Å; F227-K229 PolarHBondContact O-N 2.76Å; F227-A230 PolarHBondContact O-N 2.84Å; F227-R231 PolarHBondContact O-N 2.93Å; F227-L236 HydrophobicContact CD1-CD1 3.49Å; F227-L236 VanDerWaalsContact CD1-CD1 3.49Å; F227-L236 HydrophobicContact CE1-CD1 3.55Å; F227-L236 HydrophobicContact CE1-CD2 3.73Å; F227-L236 HydrophobicContact CE1-CG 4.32Å; F227-L236 HydrophobicContact CG-CD1 4.17Å; F227-L236 HydrophobicContact CZ-CD1 4.3Å; F227-L236 HydrophobicContact CZ-CD2 4.11Å |
| 228 | D | 67.4 | Low | 79.9 | Confident | 151 Ų | 151 | 53.9 Ų | 53.9 | 81% | 0.807 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -51.2 | -33.4 | -168.2 | -52.4 | 4.8 | 0 | 0 | 0 | 114.7 | Q226 | Q226-D228 PolarHBondContact O-N 2.94Š|
| 229 | K | 65.2 | Low | 79.8 | Confident | 168 Ų | 168 | 54.5 Ų | 54.5 | 73% | 0.73 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -111.2 | -12.4 | 177 | -61.8 | 178.1 | -176.9 | 172.6 | 0 | 113.3 | F227 T233 | F227-K229 PolarHBondContact O-N 2.76Å; K229-T233 PolarHBondContact O-OG1 3.05Å |
| 230 | A | 78.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -77.6 | -29.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y171 F227 E232 T233 K234 V235 L236 | Y171-A230 HydrophobicContact CD1-CB 4.23Å; Y171-A230 HydrophobicContact CE1-CB 3.72Å; Y171-A230 WeakPolarHBondContact CE1-O 3.35Å; F227-A230 PolarHBondContact O-N 2.84Å; A230-E232 PolarHBondContact O-N 2.95Å; A230-T233 PolarHBondContact O-N 2.78Å; A230-K234 VanDerWaalsContact O-CA 3.32Å; A230-K234 WeakPolarHBondContact O-CA 2.84Å; A230-K234 PolarHBondContact O-N 2.86Å; A230-V235 WeakPolarHBondContact CA-O 3.2Å; A230-V235 VanDerWaalsContact CB-O 3.28Å; A230-V235 WeakPolarHBondContact CB-O 3.29Å; A230-L236 HydrophobicContact CB-CB 4.36Å; A230-L236 HydrophobicContact CB-CD1 3.46Å; A230-L236 VanDerWaalsContact CB-CD1 3.46Å |
| 231 | R | 77.2 | Confident | 80.8 | Confident | 92 Ų | 92 | 51.8 Ų | 51.8 | 35% | 0.347 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.1 | -30.9 | -179.8 | -67.8 | -174.4 | -172.6 | -94.3 | 6.3 | 113.9 | F141 D142 Y171 F227 K234 D1598 | F141-R231 PolarHBondContact O-NH1 2.9Å; D142-R231 IonicContact OD1-NH1 3.61Å; D142-R231 PolarHBondContact OD1-NH1 3.41Å; Y171-R231 WeakPolarHBondContact OH-CA 3.46Å; Y171-R231 WeakPolarHBondContact OH-CG 3.32Å; F227-R231 PolarHBondContact O-N 2.93Å; R231-K234 PolarHBondContact O-NZ 2.6Å; R231-D1598 IonicContact CZ-OD2 3.74Å; R231-D1598 IonicContact NH1-OD2 3.25Å; R231-D1598 IonicContact NH2-OD2 3.54Å; R231-D1598 PolarHBondContact NH2-OD2 2.83Å |
| 232 | E | 78.2 | Confident | 81.3 | Confident | 181 Ų | 181 | 52 Ų | 52 | 85% | 0.846 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -81.5 | -38.5 | 174.9 | -66 | -176.6 | 171.7 | 0 | 0 | 113 | A230 | A230-E232 PolarHBondContact O-N 2.95Å |
| 233 | T | 86.8 | Confident | 81.8 | Confident | 86 Ų | 86 | 53.2 Ų | 53.2 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -96.3 | -16.5 | -169.4 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | K229 A230 V235 | K229-T233 PolarHBondContact O-OG1 3.05Å; A230-T233 PolarHBondContact O-N 2.78Å; T233-V235 PolarHBondContact O-N 2.9Å; T233-V235 VanDerWaalsContact O-N 3.1Å; T233-V235 PolarHBondContact OG1-N 3.26Å; T233-V235 PolarHBondContact OG1-O 3.07Å |
| 234 | K | 89.1 | Confident | 82.2 | Confident | 48 Ų | 48 | 55 Ų | 55 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 55 | 12.6 | -164.3 | -44.2 | -51.1 | 179.2 | -166 | 0 | 114.5 | D142 E169 Y171 R172 A230 R231 | D142-K234 IonicContact OD2-NZ 3.78Å; D142-K234 PolarHBondContact OD2-NZ 3.46Å; E169-K234 HydrophobicContact CB-CD 4.46Å; E169-K234 HydrophobicContact CB-CG 4.31Å; E169-K234 WeakPolarHBondContact OE2-CE 3.4Å; E169-K234 WeakPolarHBondContact OE2-CG 3.41Å; Y171-K234 CarbonylContact C-O 3.4Å; Y171-K234 WeakPolarHBondContact CA-O 3.42Å; Y171-K234 HydrophobicContact CE2-CD 4.21Å; R172-K234 PolarHBondContact N-O 2.58Å; A230-K234 VanDerWaalsContact O-CA 3.32Å; A230-K234 WeakPolarHBondContact O-CA 2.84Å; A230-K234 PolarHBondContact O-N 2.86Å; R231-K234 PolarHBondContact O-NZ 2.6Å |
| 235 | V | 92 | Very high | 82.8 | Confident | 46 Ų | 46 | 59 Ų | 59 | 28% | 0.279 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 117.7 | 175.5 | 176.8 | 0 | 0 | 0 | 0 | 107.7 | R172 A230 T233 P237 | R172-V235 WeakPolarHBondContact O-CA 3.35Å; A230-V235 WeakPolarHBondContact CA-O 3.2Å; A230-V235 VanDerWaalsContact CB-O 3.28Å; A230-V235 WeakPolarHBondContact CB-O 3.29Å; T233-V235 PolarHBondContact O-N 2.9Å; T233-V235 VanDerWaalsContact O-N 3.1Å; T233-V235 PolarHBondContact OG1-N 3.26Å; T233-V235 PolarHBondContact OG1-O 3.07Å; V235-P237 WeakPolarHBondContact O-CD 3.39Å |
| 236 | L | 89.4 | Confident | 83 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 93.1 | -169.4 | -169.9 | 57.6 | 0 | 0 | 0 | 111.6 | F141 Y171 R172 G174 Y200 P225 F227 A230 L238 | F141-L236 HydrophobicContact CD2-CD2 3.81Å; F141-L236 HydrophobicContact CE2-CD2 3.44Å; F141-L236 VanDerWaalsContact CE2-CD2 3.44Å; F141-L236 HydrophobicContact CZ-CD2 4.31Å; Y171-L236 HydrophobicContact CD1-CB 4.08Å; R172-L236 PolarHBondContact O-N 3.47Å; G174-L236 WeakPolarHBondContact CA-O 3.23Å; G174-L236 PolarHBondContact N-O 3.07Å; Y200-L236 HydrophobicContact CD2-CD2 4.05Å; Y200-L236 HydrophobicContact CE2-CD2 4.17Å; P225-L236 HydrophobicContact CB-CD1 3.94Å; P225-L236 HydrophobicContact CB-CD2 3.68Å; P225-L236 HydrophobicContact CB-CG 3.85Å; F227-L236 HydrophobicContact CD1-CD1 3.49Å; F227-L236 VanDerWaalsContact CD1-CD1 3.49Å; F227-L236 HydrophobicContact CE1-CD1 3.55Å; F227-L236 HydrophobicContact CE1-CD2 3.73Å; F227-L236 HydrophobicContact CE1-CG 4.32Å; F227-L236 HydrophobicContact CG-CD1 4.17Å; F227-L236 HydrophobicContact CZ-CD1 4.3Å; F227-L236 HydrophobicContact CZ-CD2 4.11Å; A230-L236 HydrophobicContact CB-CB 4.36Å; A230-L236 HydrophobicContact CB-CD1 3.46Å; A230-L236 VanDerWaalsContact CB-CD1 3.46Å; L236-L238 HydrophobicContact CG-CD2 4.28Å |
| 237 | P | 91.6 | Very high | 83.3 | Confident | 42 Ų | 42 | 62.3 Ų | 62.3 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 150.8 | 170.2 | 23.7 | -30.1 | 0 | 0 | 0 | 110.7 | H175 Q226 V235 | H175-P237 VanDerWaalsContact O-CA 3.3Å; H175-P237 WeakPolarHBondContact O-CA 3.48Å; H175-P237 WeakPolarHBondContact O-CB 3.46Å; Q226-P237 HydrophobicContact CB-CG 4.18Å; Q226-P237 WeakPolarHBondContact CB-O 3.41Å; Q226-P237 PolarHBondContact N-O 3.14Å; V235-P237 WeakPolarHBondContact O-CD 3.39Å |
| 238 | L | 89.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 141 | -175.2 | -53.6 | 176.3 | 0 | 0 | 0 | 110 | F173 H175 V176 T177 F194 L205 V223 P225 L236 | F173-L238 HydrophobicContact CD1-CD1 3.94Å; F173-L238 HydrophobicContact CE1-CD1 4.21Å; H175-L238 PolarHBondContact O-N 3.47Å; H175-L238 VanDerWaalsContact O-N 3.16Å; V176-L238 CarbonylContact C-O 3.54Å; V176-L238 WeakPolarHBondContact CA-O 3.15Å; V176-L238 HydrophobicContact CG1-CB 4.16Å; V176-L238 HydrophobicContact CG2-CB 4.26Å; V176-L238 HydrophobicContact CG2-CD1 4.03Å; V176-L238 HydrophobicContact CG2-CG 4.49Å; T177-L238 PolarHBondContact N-O 3.14Å; F194-L238 HydrophobicContact CE2-CD1 3.9Å; F194-L238 HydrophobicContact CZ-CD1 3.46Å; F194-L238 VanDerWaalsContact CZ-CD1 3.46Å; L205-L238 HydrophobicContact CD2-CD1 3.4Å; L205-L238 VanDerWaalsContact CD2-CD1 3.4Å; L205-L238 HydrophobicContact CD2-CD2 4.06Å; L205-L238 HydrophobicContact CD2-CG 4.37Å; V223-L238 HydrophobicContact CG1-CB 4.22Å; V223-L238 HydrophobicContact CG1-CD1 4.26Å; P225-L238 HydrophobicContact CB-CD2 3.96Å; L236-L238 HydrophobicContact CG-CD2 4.28Å |
| 239 | T | 87.4 | Confident | 84.9 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 114.4 | 171.9 | -54.2 | 0 | 0 | 0 | 0 | 109.6 | T177 E179 A224 Q226 V241 | T177-T239 CarbonylContact O-C 3.41Å; T177-T239 WeakPolarHBondContact O-CA 3.41Å; E179-T239 HydrophobicContact CG-CG2 4.03Å; A224-T239 PolarHBondContact N-O 3.01Å; A224-T239 PolarHBondContact O-N 3.11Å; Q226-T239 VanDerWaalsContact CD-OG1 3.32Å; Q226-T239 VanDerWaalsContact CG-OG1 3.29Å; Q226-T239 WeakPolarHBondContact CG-OG1 3.34Å; T239-V241 HydrophobicContact CG2-CG2 4.03Å |
| 240 | G | 83.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 93.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | T177 F178 E179 V222 | T177-G240 PolarHBondContact O-N 3.14Å; F178-G240 WeakPolarHBondContact CA-O 3.26Å; E179-G240 PolarHBondContact N-O 2.97Å; V222-G240 CarbonylContact O-C 3.13Å; V222-G240 WeakPolarHBondContact O-CA 3.32Å |
| 241 | V | 81.8 | Confident | 86.5 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121 | 174.9 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | V222 T239 | V222-V241 PolarHBondContact N-O 2.87Å; V222-V241 PolarHBondContact O-N 2.74Å; T239-V241 HydrophobicContact CG2-CG2 4.03Å |
| 242 | V | 86.6 | Confident | 86.8 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.5 | -176.5 | -63.7 | 0 | 0 | 0 | 0 | 112.5 | E179 G180 F218 V221 | E179-V242 WeakPolarHBondContact O-CG2 3.42Å; E179-V242 PolarHBondContact O-N 3.49Å; G180-V242 CarbonylContact C-O 3.54Å; F218-V242 HydrophobicContact CD1-CB 3.7Å; F218-V242 HydrophobicContact CD1-CG1 4.46Å; F218-V242 HydrophobicContact CD1-CG2 3.8Å; F218-V242 HydrophobicContact CD2-CB 4.34Å; F218-V242 HydrophobicContact CD2-CG1 4.25Å; F218-V242 HydrophobicContact CE1-CB 3.89Å; F218-V242 HydrophobicContact CE1-CG2 3.47Å; F218-V242 VanDerWaalsContact CE1-CG2 3.47Å; F218-V242 HydrophobicContact CE2-CB 4.5Å; F218-V242 HydrophobicContact CE2-CG1 4.33Å; F218-V242 HydrophobicContact CE2-CG2 4.49Å; F218-V242 HydrophobicContact CG-CB 3.95Å; F218-V242 HydrophobicContact CG-CG1 4.32Å; F218-V242 HydrophobicContact CG-CG2 4.46Å; F218-V242 HydrophobicContact CZ-CB 4.29Å; F218-V242 HydrophobicContact CZ-CG1 4.48Å; F218-V242 HydrophobicContact CZ-CG2 3.86Å; V221-V242 HydrophobicContact CB-CG1 4.31Å; V221-V242 HydrophobicContact CG1-CG1 3.93Å; V221-V242 HydrophobicContact CG2-CG1 4.14Å |
| 243 | S | 83.6 | Confident | 87 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.7 | 174.5 | -169 | 0 | 0 | 0 | 0 | 110.4 | F218 N219 S220 R245 | F218-S243 CarbonylContact C-O 3.46Å; F218-S243 VanDerWaalsContact CA-O 3.22Å; F218-S243 WeakPolarHBondContact CA-O 3.49Å; F218-S243 WeakPolarHBondContact CB-O 3.31Å; N219-S243 PolarHBondContact N-O 3.11Å; S220-S243 PolarHBondContact O-N 3.4Å; S220-S243 VanDerWaalsContact OG-CB 3.23Å; S220-S243 WeakPolarHBondContact OG-CB 3.38Å; S243-R245 PolarHBondContact O-N 3.35Å |
| 244 | P | 88.5 | Confident | 86.8 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 31% | 0.312 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 137.1 | 179 | -27.9 | 35 | 0 | 0 | 0 | 113.5 | Q182 N219 W272 | Q182-P244 HydrophobicContact CB-CG 4.42Å; Q182-P244 HydrophobicContact CG-CB 4.45Å; N219-P244 PolarHBondContact ND2-O 2.85Å; N219-P244 VanDerWaalsContact ND2-O 3.1Å; P244-W272 HydrophobicContact CB-CZ2 4.34Å |
| 245 | R | 85 | Confident | 86.6 | Confident | 99 Ų | 99 | 56.8 Ų | 56.8 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 150 | 173.9 | -165.2 | 170.5 | -173.9 | 90.2 | 0.9 | 110.7 | G216 W217 F218 S243 E247 P271 W272 | G216-R245 WeakPolarHBondContact O-CD 3.11Å; W217-R245 WeakPolarHBondContact O-CB 3.27Å; W217-R245 PolarHBondContact O-N 3.48Å; F218-R245 PolarHBondContact O-NH1 3.23Å; S243-R245 PolarHBondContact O-N 3.35Å; R245-E247 PolarHBondContact O-N 2.9Å; R245-P271 HydrophobicContact CB-CG 4.26Å; R245-P271 HydrophobicContact CG-CG 4.12Å; R245-W272 PolarHBondContact O-NE1 2.74Å |
| 246 | T | 85.2 | Confident | 86.1 | Confident | 76 Ų | 76 | 62 Ų | 62 | 47% | 0.466 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 126.5 | 171.2 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | N248 P271 | T246-N248 PolarHBondContact O-N 2.8Å; T246-P271 WeakPolarHBondContact O-CG 3.37Å |
| 247 | E | 85.2 | Confident | 85.6 | Confident | 92 Ų | 92 | 63 Ų | 63 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -56.1 | -24.5 | -175.2 | -86.2 | -167.4 | -130.8 | 0 | 0 | 115.6 | R245 K270 W272 | R245-E247 PolarHBondContact O-N 2.9Å; E247-K270 VanDerWaalsContact O-CA 3.28Å; E247-K270 WeakPolarHBondContact O-CA 3.3Å; E247-K270 WeakPolarHBondContact O-CB 3.01Å; E247-K270 WeakPolarHBondContact O-CE 3.49Å; E247-K270 WeakPolarHBondContact O-CG 3.17Å; E247-K270 IonicContact OE2-NZ 3.75Å; E247-K270 PolarHBondContact OE2-NZ 2.81Å; E247-W272 HydrophobicContact CG-CH2 3.68Å; E247-W272 HydrophobicContact CG-CZ2 3.54Å; E247-W272 HydrophobicContact CG-CZ3 4.4Å |
| 248 | N | 91.2 | Very high | 84.9 | Confident | 78 Ų | 78 | 66.9 Ų | 66.9 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | trans | -136.3 | 133 | -171.7 | -62.2 | -82 | 0 | 0 | 0 | 110.2 | T246 W268 K270 | T246-N248 PolarHBondContact O-N 2.8Å; N248-W268 WeakPolarHBondContact OD1-CZ2 3.46Å; N248-W268 PolarHBondContact OD1-NE1 2.84Å; N248-K270 WeakPolarHBondContact OD1-CD 3.42Å; N248-K270 WeakPolarHBondContact OD1-CE 3.21Å | ||
| 249 | T | 87.7 | Confident | 84.5 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 27% | 0.27 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138.3 | 171.2 | -57.4 | 0 | 0 | 0 | 0 | 108.3 | W268 K269 | T249-W268 WeakPolarHBondContact O-CA 3.35Å; T249-K269 PolarHBondContact N-O 3.29Å; T249-K269 PolarHBondContact O-N 3.03Å |
| 250 | I | 89.8 | Confident | 84.2 | Confident | 123 Ų | 123 | 68.6 Ų | 68.6 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 130.4 | 179.8 | -59.8 | 176.2 | 0 | 0 | 0 | 108.7 | T252 T267 W268 | I250-T252 HydrophobicContact CG2-CG2 4.4Å; I250-T267 WeakPolarHBondContact CA-O 3.48Å; I250-W268 HydrophobicContact CG1-CB 4.5Å; I250-W268 HydrophobicContact CG1-CG 4.5Å |
| 251 | E | 87.7 | Confident | 84.4 | Confident | 88 Ų | 88 | 69.3 Ų | 69.3 | 41% | 0.411 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.4 | 177.8 | -69.1 | 165.1 | -168 | 0 | 0 | 108.7 | A266 T267 K269 | E251-A266 CarbonylContact O-C 3.35Å; E251-A266 WeakPolarHBondContact O-CA 3.42Å; E251-T267 PolarHBondContact N-O 2.91Å; E251-T267 PolarHBondContact O-N 3.1Å; E251-K269 WeakPolarHBondContact OE1-CE 3.27Å; E251-K269 IonicContact OE1-NZ 2.69Å; E251-K269 PolarHBondContact OE1-NZ 3.08Å; E251-K269 WeakPolarHBondContact OE2-CE 3.48Å; E251-K269 IonicContact OE2-NZ 3.62Å; E251-K269 PolarHBondContact OE2-NZ 2.82Å |
| 252 | T | 83.1 | Confident | 84.7 | Confident | 122 Ų | 122 | 70.3 Ų | 70.3 | 75% | 0.748 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.7 | 179.2 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | I250 K265 A266 | I250-T252 HydrophobicContact CG2-CG2 4.4Å; T252-K265 CarbonylContact C-O 3.38Å; T252-K265 WeakPolarHBondContact CA-O 3.32Å; T252-A266 HydrophobicContact CG2-CB 4.32Å |
| 253 | G | 82.9 | Confident | 84.7 | Confident | 36 Ų | 36 | 75.1 Ų | 75.1 | 37% | 0.371 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 158.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K265 | G253-K265 PolarHBondContact N-O 3.22Å; G253-K265 PolarHBondContact O-N 2.64Å |
| 254 | V | 83 | Confident | 85.1 | Confident | 128 Ų | 128 | 76.8 Ų | 76.8 | 78% | 0.776 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 152.3 | 178.3 | 64.2 | 0 | 0 | 0 | 0 | 109.2 | R263 V264 | V254-R263 CarbonylContact C-O 3.56Å; V254-R263 WeakPolarHBondContact CA-O 3.34Å; V254-R263 WeakPolarHBondContact CG2-O 3.07Å; V254-V264 HydrophobicContact CG2-CG2 4.31Å |
| 255 | G | 83.7 | Confident | 85.3 | Confident | 26 Ų | 26 | 79.3 Ų | 79.3 | 27% | 0.268 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 179.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | P262 R263 | G255-P262 WeakPolarHBondContact O-CA 3.42Å; G255-R263 PolarHBondContact N-O 2.88Å; G255-R263 PolarHBondContact O-N 2.83Å |
| 256 | Y | 81.3 | Confident | 85.7 | Confident | 157 Ų | 157 | 76.6 Ų | 76.6 | 62% | 0.616 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.8 | 178.3 | 177.2 | -92.9 | 0 | 0 | 0 | 110.1 | G261 P262 | Y256-G261 WeakPolarHBondContact CA-O 3.04Å; Y256-G261 VanDerWaalsContact CD2-C 3.46Å; Y256-P262 HydrophobicContact CD2-CB 4.4Å |
| 257 | S | 79.2 | Confident | 86.3 | Confident | 21 Ų | 21 | 73.3 Ų | 73.3 | 15% | 0.147 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 155.7 | 158.4 | 45.8 | 0 | 0 | 0 | 0 | 109.6 | D259 V260 G261 R263 | S257-D259 PolarHBondContact O-N 3.21Å; S257-V260 PolarHBondContact O-N 2.96Å; S257-V260 WeakPolarHBondContact OG-CG2 3.44Å; S257-G261 PolarHBondContact N-O 2.77Å; S257-G261 VanDerWaalsContact N-O 3.13Å; S257-G261 VanDerWaalsContact O-CA 3.31Å; S257-G261 WeakPolarHBondContact O-CA 3.45Å; S257-G261 PolarHBondContact O-N 2.04Å; S257-R263 PolarHBondContact OG-NH1 3.42Å |
| 258 | T | 78.3 | Confident | 86.8 | Confident | 123 Ų | 123 | 73.8 Ų | 73.8 | 76% | 0.755 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.9 | 177.6 | 45.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 259 | D | 80.3 | Confident | 87.1 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 19% | 0.187 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -35 | -175.6 | -80.7 | -22.3 | 0 | 0 | 0 | 115.6 | S257 G454 D455 Y463 | S257-D259 PolarHBondContact O-N 3.21Å; D259-G454 WeakPolarHBondContact OD2-CA 3.47Å; D259-D455 PolarHBondContact OD2-N 3.12Å; D259-Y463 HydrophobicContact CB-CG 4.19Å |
| 260 | V | 81.9 | Confident | 87.4 | Confident | 19 Ų | 19 | 72.8 Ų | 72.8 | 12% | 0.115 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | 5.2 | -175.3 | -55.3 | 0 | 0 | 0 | 0 | 113.7 | S257 A288 P289 Y463 | S257-V260 PolarHBondContact O-N 2.96Å; S257-V260 WeakPolarHBondContact OG-CG2 3.44Å; V260-A288 PolarHBondContact O-N 3.35Å; V260-P289 HydrophobicContact CB-CG 3.71Å; V260-P289 HydrophobicContact CG1-CG 3.74Å; V260-P289 WeakPolarHBondContact O-CD 3.11Å; V260-Y463 HydrophobicContact CG1-CD1 3.71Å; V260-Y463 HydrophobicContact CG1-CE1 3.57Å; V260-Y463 HydrophobicContact CG1-CG 4.46Å |
| 261 | G | 85.5 | Confident | 87.6 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.9 | -152.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y256 S257 | Y256-G261 WeakPolarHBondContact CA-O 3.04Å; Y256-G261 VanDerWaalsContact CD2-C 3.46Å; S257-G261 PolarHBondContact N-O 2.77Å; S257-G261 VanDerWaalsContact N-O 3.13Å; S257-G261 VanDerWaalsContact O-CA 3.31Å; S257-G261 WeakPolarHBondContact O-CA 3.45Å; S257-G261 PolarHBondContact O-N 2.04Å |
| 262 | P | 88.3 | Confident | 87.8 | Confident | 90 Ų | 90 | 65.9 Ų | 65.9 | 58% | 0.584 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 145.7 | 173.8 | 31 | -34.3 | 0 | 0 | 0 | 110.8 | G255 Y256 | G255-P262 WeakPolarHBondContact O-CA 3.42Å; Y256-P262 HydrophobicContact CD2-CB 4.4Å |
| 263 | R | 87.2 | Confident | 88.2 | Confident | 108 Ų | 108 | 63.7 Ų | 63.7 | 41% | 0.408 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 145.6 | 176 | 58.2 | 173.2 | 175.6 | -91.1 | -3.1 | 112.4 | V254 G255 S257 I286 | V254-R263 CarbonylContact C-O 3.56Å; V254-R263 WeakPolarHBondContact CA-O 3.34Å; V254-R263 WeakPolarHBondContact CG2-O 3.07Å; G255-R263 PolarHBondContact N-O 2.88Å; G255-R263 PolarHBondContact O-N 2.83Å; S257-R263 PolarHBondContact OG-NH1 3.42Å; R263-I286 CarbonylContact C-O 3.34Å; R263-I286 WeakPolarHBondContact CA-O 3.43Å; R263-I286 WeakPolarHBondContact CB-O 3.32Å |
| 264 | V | 91.2 | Very high | 88.8 | Confident | 84 Ų | 84 | 64.2 Ų | 64.2 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 143.3 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | V254 S285 I286 | V254-V264 HydrophobicContact CG2-CG2 4.31Å; V264-S285 WeakPolarHBondContact O-CA 3.5Å; V264-I286 PolarHBondContact N-O 2.85Å; V264-I286 PolarHBondContact O-N 2.76Å |
| 265 | K | 93 | Very high | 89.3 | Confident | 101 Ų | 101 | 60.5 Ų | 60.5 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 140.5 | 172.4 | -175.8 | 171.7 | 179.2 | 176.4 | 0 | 110.9 | T252 G253 T267 T284 | T252-K265 CarbonylContact C-O 3.38Å; T252-K265 WeakPolarHBondContact CA-O 3.32Å; G253-K265 PolarHBondContact N-O 3.22Å; G253-K265 PolarHBondContact O-N 2.64Å; K265-T267 WeakPolarHBondContact CE-OG1 3.4Å; K265-T284 VanDerWaalsContact CA-O 3.31Å; K265-T284 WeakPolarHBondContact CA-O 2.88Å |
| 266 | A | 93.5 | Very high | 89.8 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 35% | 0.347 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135.1 | 168 | 0 | 0 | 0 | 0 | 0 | 109.4 | E251 T252 S283 T284 | E251-A266 CarbonylContact O-C 3.35Å; E251-A266 WeakPolarHBondContact O-CA 3.42Å; T252-A266 HydrophobicContact CG2-CB 4.32Å; A266-S283 CarbonylContact O-C 3.58Å; A266-S283 WeakPolarHBondContact O-CA 3.31Å; A266-T284 PolarHBondContact N-O 2.74Å; A266-T284 PolarHBondContact O-N 2.89Å |
| 267 | T | 97.6 | Very high | 90.4 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 120.3 | 179.7 | -69.3 | 0 | 0 | 0 | 0 | 109.7 | I250 E251 K265 K269 T281 T282 S283 | I250-T267 WeakPolarHBondContact CA-O 3.48Å; E251-T267 PolarHBondContact N-O 2.91Å; E251-T267 PolarHBondContact O-N 3.1Å; K265-T267 WeakPolarHBondContact CE-OG1 3.4Å; T267-K269 HydrophobicContact CG2-CG 4.05Å; T267-T281 HydrophobicContact CG2-CG2 3.78Å; T267-T282 CarbonylContact C-O 3.54Å; T267-T282 VanDerWaalsContact CA-O 3.25Å; T267-T282 WeakPolarHBondContact CA-O 3.34Å; T267-S283 WeakPolarHBondContact CG2-OG 3.46Å; T267-S283 WeakPolarHBondContact OG1-CB 3.48Å; T267-S283 PolarHBondContact OG1-OG 2.88Å |
| 268 | W | 97.4 | Very high | 91.3 | Very high | 101 Ų | 101 | 56.7 Ų | 56.7 | 38% | 0.383 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.4 | 172.7 | 173.2 | 44 | 0 | 0 | 0 | 109.4 | N248 T249 I250 K270 L280 T281 T282 | N248-W268 WeakPolarHBondContact OD1-CZ2 3.46Å; N248-W268 PolarHBondContact OD1-NE1 2.84Å; T249-W268 WeakPolarHBondContact O-CA 3.35Å; I250-W268 HydrophobicContact CG1-CB 4.5Å; I250-W268 HydrophobicContact CG1-CG 4.5Å; W268-K270 HydrophobicContact CH2-CD 4.38Å; W268-K270 HydrophobicContact CZ2-CD 3.72Å; W268-K270 HydrophobicContact CZ2-CG 3.83Å; W268-L280 HydrophobicContact CZ3-CD2 4.38Å; W268-T281 CarbonylContact O-C 3.6Å; W268-T281 WeakPolarHBondContact O-CA 3.36Å; W268-T282 PolarHBondContact N-O 2.68Å; W268-T282 PolarHBondContact O-N 2.9Å |
| 269 | K | 95.9 | Very high | 92.2 | Very high | 70 Ų | 70 | 51.9 Ų | 51.9 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.9 | 178.4 | -61.7 | 176.7 | -175.6 | 168.3 | 0 | 109.3 | T249 E251 T267 T281 | T249-K269 PolarHBondContact N-O 3.29Å; T249-K269 PolarHBondContact O-N 3.03Å; E251-K269 WeakPolarHBondContact OE1-CE 3.27Å; E251-K269 IonicContact OE1-NZ 2.69Å; E251-K269 PolarHBondContact OE1-NZ 3.08Å; E251-K269 WeakPolarHBondContact OE2-CE 3.48Å; E251-K269 IonicContact OE2-NZ 3.62Å; E251-K269 PolarHBondContact OE2-NZ 2.82Å; T267-K269 HydrophobicContact CG2-CG 4.05Å; K269-T281 HydrophobicContact CG-CG2 4.1Å |
| 270 | K | 95.6 | Very high | 93 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 14% | 0.135 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 100.9 | 160.1 | -64 | -149.5 | 68 | -175.5 | 0 | 108 | E247 N248 W268 W272 M273 S279 L280 | E247-K270 VanDerWaalsContact O-CA 3.28Å; E247-K270 WeakPolarHBondContact O-CA 3.3Å; E247-K270 WeakPolarHBondContact O-CB 3.01Å; E247-K270 WeakPolarHBondContact O-CE 3.49Å; E247-K270 WeakPolarHBondContact O-CG 3.17Å; E247-K270 IonicContact OE2-NZ 3.75Å; E247-K270 PolarHBondContact OE2-NZ 2.81Å; N248-K270 WeakPolarHBondContact OD1-CD 3.42Å; N248-K270 WeakPolarHBondContact OD1-CE 3.21Å; W268-K270 HydrophobicContact CH2-CD 4.38Å; W268-K270 HydrophobicContact CZ2-CD 3.72Å; W268-K270 HydrophobicContact CZ2-CG 3.83Å; K270-W272 PolarHBondContact O-N 3.49Å; K270-M273 HydrophobicContact CB-CG 4.33Å; K270-M273 HydrophobicContact CB-SD 3.6Å; K270-M273 VanDerWaalsContact CB-SD 3.6Å; K270-M273 HydrophobicContact CD-SD 3.65Å; K270-M273 HydrophobicContact CG-SD 4.1Å; K270-S279 WeakPolarHBondContact O-CA 3.46Å; K270-S279 WeakPolarHBondContact O-CB 3.44Å; K270-L280 HydrophobicContact CB-CB 4.37Å; K270-L280 PolarHBondContact N-O 2.76Å; K270-L280 PolarHBondContact O-N 2.8Å |
| 271 | P | 92 | Very high | 93.7 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -67.4 | -20.9 | -170.1 | 26.9 | -34.3 | 0 | 0 | 0 | 113.2 | G216 R245 T246 S279 | G216-P271 WeakPolarHBondContact O-CB 3.36Å; R245-P271 HydrophobicContact CB-CG 4.26Å; R245-P271 HydrophobicContact CG-CG 4.12Å; T246-P271 WeakPolarHBondContact O-CG 3.37Å; P271-S279 VanDerWaalsContact O-CB 3.28Å; P271-S279 WeakPolarHBondContact O-CB 3.32Å |
| 272 | W | 92.9 | Very high | 94.3 | Very high | 46 Ų | 46 | 52.9 Ų | 52.9 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | trans | -142.3 | 151.7 | 165.9 | 57.4 | -88.8 | 0 | 0 | 0 | 109.4 | Q182 I183 P244 R245 E247 K270 H278 | Q182-W272 HydrophobicContact CG-CD2 3.73Å; Q182-W272 HydrophobicContact CG-CE3 3.75Å; Q182-W272 HydrophobicContact CG-CG 4.28Å; Q182-W272 HydrophobicContact CG-CH2 4.23Å; Q182-W272 HydrophobicContact CG-CZ2 4.19Å; Q182-W272 HydrophobicContact CG-CZ3 4.01Å; Q182-W272 VanDerWaalsContact NE2-CG 3.33Å; I183-W272 HydrophobicContact CD1-CB 4.38Å; P244-W272 HydrophobicContact CB-CZ2 4.34Å; R245-W272 PolarHBondContact O-NE1 2.74Å; E247-W272 HydrophobicContact CG-CH2 3.68Å; E247-W272 HydrophobicContact CG-CZ2 3.54Å; E247-W272 HydrophobicContact CG-CZ3 4.4Å; K270-W272 PolarHBondContact O-N 3.49Å; W272-H278 CarbonylContact C-O 3.49Å; W272-H278 VanDerWaalsContact CA-O 3.28Å; W272-H278 WeakPolarHBondContact CA-O 3.47Å | ||
| 273 | M | 92 | Very high | 94.8 | Very high | 75 Ų | 75 | 49.4 Ų | 49.4 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -128.9 | -21.8 | -175.7 | -71.5 | -71 | -66.2 | 0 | 0 | 112.7 | K270 H278 L280 Y297 | K270-M273 HydrophobicContact CB-CG 4.33Å; K270-M273 HydrophobicContact CB-SD 3.6Å; K270-M273 VanDerWaalsContact CB-SD 3.6Å; K270-M273 HydrophobicContact CD-SD 3.65Å; K270-M273 HydrophobicContact CG-SD 4.1Å; M273-H278 HydrophobicContact CB-CB 4.45Å; M273-H278 VanDerWaalsContact CB-O 3.31Å; M273-H278 WeakPolarHBondContact CB-O 3.33Å; M273-H278 PolarHBondContact N-O 2.81Å; M273-L280 HydrophobicContact CE-CB 4.49Å; M273-L280 HydrophobicContact CG-CB 4.09Å; M273-L280 HydrophobicContact SD-CB 3.96Å; M273-Y297 HydrophobicContact CB-CE2 4.42Å; M273-Y297 HydrophobicContact CG-CE2 4.21Å |
| 274 | N | 94.2 | Very high | 95.3 | Very high | 48 Ų | 48 | 46.7 Ų | 46.7 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -161 | 178.8 | -177.8 | 63.4 | 19.2 | 0 | 0 | 0 | 108.9 | Y276 G277 H278 | N274-Y276 PolarHBondContact O-N 3.17Å; N274-Y276 WeakPolarHBondContact OD1-CB 3.35Å; N274-Y276 PolarHBondContact OD1-N 2.71Å; N274-G277 PolarHBondContact O-N 2.76Å; N274-H278 PolarHBondContact ND2-ND1 2.72Å; N274-H278 VanDerWaalsContact ND2-ND1 3.11Å; N274-H278 WeakPolarHBondContact OD1-CB 3.27Å; N274-H278 PolarHBondContact OD1-N 3.06Å |
| 275 | S | 93.5 | Very high | 95.4 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 1.6 | -179.6 | 59.3 | 0 | 0 | 0 | 0 | 115.1 | Q182 I183 R184 G277 | Q182-S275 VanDerWaalsContact O-CA 3.23Å; Q182-S275 WeakPolarHBondContact O-CA 3.14Å; Q182-S275 WeakPolarHBondContact O-CB 3.2Å; I183-S275 CarbonylContact C-O 3.56Å; I183-S275 WeakPolarHBondContact CA-O 3.28Å; R184-S275 WeakPolarHBondContact CG-O 3.4Å; R184-S275 PolarHBondContact N-O 2.99Å; S275-G277 VanDerWaalsContact C-N 3.32Å |
| 276 | Y | 95.5 | Very high | 95.5 | Very high | 101 Ų | 101 | 44 Ų | 44 | 40% | 0.396 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 9.4 | 172.1 | -59 | -93.9 | 0 | 0 | 0 | 112.2 | Y187 N274 H278 | Y187-Y276 HydrophobicContact CE2-CD1 4.07Å; N274-Y276 PolarHBondContact O-N 3.17Å; N274-Y276 WeakPolarHBondContact OD1-CB 3.35Å; N274-Y276 PolarHBondContact OD1-N 2.71Å; Y276-H278 VanDerWaalsContact CB-CD2 3.47Å; Y276-H278 WeakPolarHBondContact CB-CD2 3.37Å; Y276-H278 WeakPolarHBondContact CB-NE2 3.36Å; Y276-H278 PolarHBondContact O-CD2 2.8Å; Y276-H278 PolarHBondContact O-N 2.98Å |
| 277 | G | 93.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | 69.3 | 12.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | W217 N274 S275 P300 | W217-G277 PolarHBondContact NE1-O 3.37Å; W217-G277 VanDerWaalsContact NE1-O 3.1Å; N274-G277 PolarHBondContact O-N 2.76Å; S275-G277 VanDerWaalsContact C-N 3.32Å; G277-P300 WeakPolarHBondContact O-CG 3.4Å | ||
| 278 | H | 97.6 | Very high | 95 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 10% | 0.102 | 25% | 0.245 | C | C | . | . | trans | -62.2 | 138.9 | 178.8 | -65.1 | -171.9 | 0 | 0 | 0 | 110.2 | W272 M273 N274 Y276 Y297 K298 | W272-H278 CarbonylContact C-O 3.49Å; W272-H278 VanDerWaalsContact CA-O 3.28Å; W272-H278 WeakPolarHBondContact CA-O 3.47Å; M273-H278 HydrophobicContact CB-CB 4.45Å; M273-H278 VanDerWaalsContact CB-O 3.31Å; M273-H278 WeakPolarHBondContact CB-O 3.33Å; M273-H278 PolarHBondContact N-O 2.81Å; N274-H278 PolarHBondContact ND2-ND1 2.72Å; N274-H278 VanDerWaalsContact ND2-ND1 3.11Å; N274-H278 WeakPolarHBondContact OD1-CB 3.27Å; N274-H278 PolarHBondContact OD1-N 3.06Å; Y276-H278 VanDerWaalsContact CB-CD2 3.47Å; Y276-H278 WeakPolarHBondContact CB-CD2 3.37Å; Y276-H278 WeakPolarHBondContact CB-NE2 3.36Å; Y276-H278 PolarHBondContact O-CD2 2.8Å; Y276-H278 PolarHBondContact O-N 2.98Å; H278-Y297 HydrophobicContact CB-CE1 4.09Å; H278-Y297 HydrophobicContact CB-CE2 4.31Å; H278-Y297 WeakPolarHBondContact CB-OH 3.1Å; H278-Y297 AromaticContact CG-CE1 4Å; H278-Y297 AromaticContact CG-CZ 3.98Å; H278-Y297 AromaticContact ND1-CE1 3.37Å; H278-Y297 WeakPolarHBondContact ND1-CE1 3.2Å; H278-Y297 AromaticContact ND1-CZ 3.46Å; H278-Y297 PolarHBondContact ND1-OH 2.8Å; H278-K298 CarbonylContact C-O 3.42Å; H278-K298 WeakPolarHBondContact CA-O 3.45Å; H278-K298 WeakPolarHBondContact CB-O 3.3Å | ||
| 279 | S | 97.3 | Very high | 94.7 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 16% | 0.161 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.9 | -178.7 | 74 | 0 | 0 | 0 | 0 | 111.7 | K270 P271 Y297 K298 | K270-S279 WeakPolarHBondContact O-CA 3.46Å; K270-S279 WeakPolarHBondContact O-CB 3.44Å; P271-S279 VanDerWaalsContact O-CB 3.28Å; P271-S279 WeakPolarHBondContact O-CB 3.32Å; S279-Y297 WeakPolarHBondContact O-CA 3.21Å; S279-K298 PolarHBondContact N-O 3.34Å; S279-K298 PolarHBondContact O-N 3.46Å |
| 280 | L | 97.4 | Very high | 94.6 | Very high | 33 Ų | 33 | 39.8 Ų | 39.8 | 17% | 0.173 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 135 | 173.5 | 177.7 | 63.9 | 0 | 0 | 0 | 110.2 | W268 K270 M273 Y297 | W268-L280 HydrophobicContact CZ3-CD2 4.38Å; K270-L280 HydrophobicContact CB-CB 4.37Å; K270-L280 PolarHBondContact N-O 2.76Å; K270-L280 PolarHBondContact O-N 2.8Å; M273-L280 HydrophobicContact CE-CB 4.49Å; M273-L280 HydrophobicContact CG-CB 4.09Å; M273-L280 HydrophobicContact SD-CB 3.96Å; L280-Y297 HydrophobicContact CB-CD2 4.32Å; L280-Y297 HydrophobicContact CD1-CD2 4.37Å |
| 281 | T | 97.9 | Very high | 94.7 | Very high | 40 Ų | 40 | 40.9 Ų | 40.9 | 25% | 0.245 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 125.3 | 164.5 | -63.2 | 0 | 0 | 0 | 0 | 109.5 | T267 W268 K269 S296 | T267-T281 HydrophobicContact CG2-CG2 3.78Å; W268-T281 CarbonylContact O-C 3.6Å; W268-T281 WeakPolarHBondContact O-CA 3.36Å; K269-T281 HydrophobicContact CG-CG2 4.1Å; T281-S296 PolarHBondContact N-O 3.32Å; T281-S296 PolarHBondContact O-N 2.84Å |
| 282 | T | 98 | Very high | 94.9 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.6 | 170.2 | -55.7 | 0 | 0 | 0 | 0 | 108.3 | T267 W268 L293 D294 F295 | T267-T282 CarbonylContact C-O 3.54Å; T267-T282 VanDerWaalsContact CA-O 3.25Å; T267-T282 WeakPolarHBondContact CA-O 3.34Å; W268-T282 PolarHBondContact N-O 2.68Å; W268-T282 PolarHBondContact O-N 2.9Å; T282-L293 HydrophobicContact CG2-CD1 4.01Å; T282-D294 CarbonylContact C-O 3.57Å; T282-D294 VanDerWaalsContact CA-O 3.31Å; T282-D294 WeakPolarHBondContact CA-O 3.37Å; T282-F295 HydrophobicContact CG2-CD1 3.68Å; T282-F295 HydrophobicContact CG2-CE1 3.53Å; T282-F295 HydrophobicContact CG2-CG 4.47Å; T282-F295 HydrophobicContact CG2-CZ 4.23Å; T282-F295 WeakPolarHBondContact OG1-CD1 3.39Å |
| 283 | S | 97.7 | Very high | 95.2 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126.6 | 176.2 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | A266 T267 D294 | A266-S283 CarbonylContact O-C 3.58Å; A266-S283 WeakPolarHBondContact O-CA 3.31Å; T267-S283 WeakPolarHBondContact CG2-OG 3.46Å; T267-S283 WeakPolarHBondContact OG1-CB 3.48Å; T267-S283 PolarHBondContact OG1-OG 2.88Å; S283-D294 PolarHBondContact N-O 3.45Å; S283-D294 PolarHBondContact O-N 2.87Å |
| 284 | T | 97.5 | Very high | 95.5 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.4 | 170.8 | -46 | 0 | 0 | 0 | 0 | 108.4 | K265 A266 I286 T292 L293 | K265-T284 VanDerWaalsContact CA-O 3.31Å; K265-T284 WeakPolarHBondContact CA-O 2.88Å; A266-T284 PolarHBondContact N-O 2.74Å; A266-T284 PolarHBondContact O-N 2.89Å; T284-I286 HydrophobicContact CG2-CD1 4.2Å; T284-I286 HydrophobicContact CG2-CG1 4.09Å; T284-T292 WeakPolarHBondContact CA-O 3.41Å; T284-L293 WeakPolarHBondContact OG1-CD1 3.38Å |
| 285 | S | 94.4 | Very high | 95.6 | Very high | 36 Ų | 36 | 44 Ų | 44 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.6 | 175 | -48.6 | 0 | 0 | 0 | 0 | 109.3 | V264 Q291 T292 | V264-S285 WeakPolarHBondContact O-CA 3.5Å; S285-Q291 CarbonylContact O-C 3.39Å; S285-Q291 WeakPolarHBondContact O-CA 3.5Å; S285-T292 PolarHBondContact N-O 2.77Å; S285-T292 PolarHBondContact O-N 2.66Å |
| 286 | I | 93.9 | Very high | 95.9 | Very high | 91 Ų | 91 | 42.9 Ų | 42.9 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.2 | -175.3 | -59.6 | 173.8 | 0 | 0 | 0 | 108.4 | R263 V264 T284 Q291 | R263-I286 CarbonylContact C-O 3.34Å; R263-I286 WeakPolarHBondContact CA-O 3.43Å; R263-I286 WeakPolarHBondContact CB-O 3.32Å; V264-I286 PolarHBondContact N-O 2.85Å; V264-I286 PolarHBondContact O-N 2.76Å; T284-I286 HydrophobicContact CG2-CD1 4.2Å; T284-I286 HydrophobicContact CG2-CG1 4.09Å; I286-Q291 HydrophobicContact CG2-CG 4.06Å |
| 287 | S | 91 | Very high | 96 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 176.1 | 168.3 | 69.7 | 0 | 0 | 0 | 0 | 109.5 | E290 Q291 | S287-E290 PolarHBondContact N-O 3.05Å; S287-E290 PolarHBondContact OG-N 3.38Å; S287-E290 VanDerWaalsContact OG-N 3.15Å; S287-E290 PolarHBondContact OG-O 3.25Å; S287-Q291 PolarHBondContact O-NE2 2.92Å |
| 288 | A | 89.8 | Confident | 96.2 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 59% | 0.587 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -62.2 | -51.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V260 Q291 | V260-A288 PolarHBondContact O-N 3.35Å; A288-Q291 PolarHBondContact O-NE2 3.18Å |
| 289 | P | 90.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 7% | 0.071 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -88.1 | -19.2 | -177.5 | 33.2 | -36.4 | 0 | 0 | 0 | 115.6 | V260 T319 D320 L321 | V260-P289 HydrophobicContact CB-CG 3.71Å; V260-P289 HydrophobicContact CG1-CG 3.74Å; V260-P289 WeakPolarHBondContact O-CD 3.11Å; P289-T319 CarbonylContact O-C 3.56Å; P289-T319 VanDerWaalsContact O-CA 3.31Å; P289-T319 WeakPolarHBondContact O-CA 3.18Å; P289-D320 WeakPolarHBondContact CA-O 3.22Å; P289-D320 VanDerWaalsContact CB-O 3.27Å; P289-D320 WeakPolarHBondContact CB-O 3.44Å; P289-D320 PolarHBondContact O-N 2.95Å; P289-L321 HydrophobicContact CB-CB 4.02Å; P289-L321 HydrophobicContact CB-CD1 4Å; P289-L321 HydrophobicContact CB-CD2 4.43Å; P289-L321 HydrophobicContact CB-CG 4.37Å |
| 290 | E | 94.1 | Very high | 96.3 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 129.9 | -177.1 | -67.4 | 178.1 | 142.7 | 0 | 0 | 110.5 | S287 K317 R318 T319 Y463 K464 | S287-E290 PolarHBondContact N-O 3.05Å; S287-E290 PolarHBondContact OG-N 3.38Å; S287-E290 VanDerWaalsContact OG-N 3.15Å; S287-E290 PolarHBondContact OG-O 3.25Å; E290-K317 WeakPolarHBondContact OE1-CE 3.18Å; E290-K317 IonicContact OE1-NZ 2.81Å; E290-K317 PolarHBondContact OE1-NZ 2.57Å; E290-R318 WeakPolarHBondContact CA-O 3.12Å; E290-T319 HydrophobicContact CG-CG2 4.15Å; E290-Y463 PolarHBondContact OE2-OH 2.79Å; E290-K464 IonicContact OE1-NZ 3.79Å; E290-K464 PolarHBondContact OE1-NZ 2.61Å |
| 291 | Q | 97.6 | Very high | 96.2 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 119.5 | 172 | -54.9 | 88.9 | 48.8 | 0 | 0 | 110.1 | S285 I286 S287 A288 K317 R318 | S285-Q291 CarbonylContact O-C 3.39Å; S285-Q291 WeakPolarHBondContact O-CA 3.5Å; I286-Q291 HydrophobicContact CG2-CG 4.06Å; S287-Q291 PolarHBondContact O-NE2 2.92Å; A288-Q291 PolarHBondContact O-NE2 3.18Å; Q291-K317 WeakPolarHBondContact O-CA 3.18Å; Q291-R318 PolarHBondContact N-O 3.07Å; Q291-R318 PolarHBondContact O-N 2.89Å |
| 292 | T | 97.7 | Very high | 96 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 18% | 0.184 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 146.3 | -179 | 83.9 | 0 | 0 | 0 | 0 | 112.2 | T284 S285 D294 F316 K317 | T284-T292 WeakPolarHBondContact CA-O 3.41Å; S285-T292 PolarHBondContact N-O 2.77Å; S285-T292 PolarHBondContact O-N 2.66Å; T292-D294 WeakPolarHBondContact CB-OD2 3.3Å; T292-D294 PolarHBondContact OG1-OD2 3.06Å; T292-F316 CarbonylContact C-O 3Å; T292-F316 WeakPolarHBondContact CA-O 3.38Å; T292-K317 HydrophobicContact CG2-CB 4.28Å; T292-K317 HydrophobicContact CG2-CD 4.19Å; T292-K317 HydrophobicContact CG2-CG 3.88Å |
| 293 | L | 98.2 | Very high | 95.5 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 106.5 | 167 | 174.4 | 61.9 | 0 | 0 | 0 | 108.5 | T282 T284 F295 G315 F316 | T282-L293 HydrophobicContact CG2-CD1 4.01Å; T284-L293 WeakPolarHBondContact OG1-CD1 3.38Å; L293-F295 HydrophobicContact CD1-CE2 4.11Å; L293-F295 HydrophobicContact CD1-CZ 4.03Å; L293-F295 HydrophobicContact CD2-CE2 3.76Å; L293-F295 HydrophobicContact CD2-CZ 3.9Å; L293-F295 HydrophobicContact CG-CD2 4.39Å; L293-F295 HydrophobicContact CG-CE2 3.6Å; L293-F295 HydrophobicContact CG-CZ 3.95Å; L293-G315 WeakPolarHBondContact O-CA 3.47Å; L293-F316 PolarHBondContact N-O 3.14Å; L293-F316 PolarHBondContact O-N 3.47Å |
| 294 | D | 97.7 | Very high | 95 | Very high | 72 Ų | 72 | 54.7 Ų | 54.7 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.5 | -174.1 | -58.2 | -78.8 | 0 | 0 | 0 | 110.7 | T282 S283 T292 | T282-D294 CarbonylContact C-O 3.57Å; T282-D294 VanDerWaalsContact CA-O 3.31Å; T282-D294 WeakPolarHBondContact CA-O 3.37Å; S283-D294 PolarHBondContact N-O 3.45Å; S283-D294 PolarHBondContact O-N 2.87Å; T292-D294 WeakPolarHBondContact CB-OD2 3.3Å; T292-D294 PolarHBondContact OG1-OD2 3.06Å |
| 295 | F | 97.8 | Very high | 94.7 | Very high | 96 Ų | 96 | 52.4 Ų | 52.4 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.4 | 170.9 | -59.6 | -91.2 | 0 | 0 | 0 | 109.1 | T282 L293 Q313 G314 | T282-F295 HydrophobicContact CG2-CD1 3.68Å; T282-F295 HydrophobicContact CG2-CE1 3.53Å; T282-F295 HydrophobicContact CG2-CG 4.47Å; T282-F295 HydrophobicContact CG2-CZ 4.23Å; T282-F295 WeakPolarHBondContact OG1-CD1 3.39Å; L293-F295 HydrophobicContact CD1-CE2 4.11Å; L293-F295 HydrophobicContact CD1-CZ 4.03Å; L293-F295 HydrophobicContact CD2-CE2 3.76Å; L293-F295 HydrophobicContact CD2-CZ 3.9Å; L293-F295 HydrophobicContact CG-CD2 4.39Å; L293-F295 HydrophobicContact CG-CE2 3.6Å; L293-F295 HydrophobicContact CG-CZ 3.95Å; F295-Q313 CarbonylContact O-C 3.56Å; F295-Q313 WeakPolarHBondContact O-CA 3.23Å; F295-G314 PolarHBondContact N-O 3.08Å; F295-G314 PolarHBondContact O-N 3.1Å |
| 296 | S | 98.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 113.1 | -178.9 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | T281 Q313 | T281-S296 PolarHBondContact N-O 3.32Å; T281-S296 PolarHBondContact O-N 2.84Å; S296-Q313 PolarHBondContact OG-NE2 3.23Å |
| 297 | Y | 98.4 | Very high | 94.3 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 109.6 | 178.6 | -169.4 | -100.7 | 0 | 0 | 0 | 109.5 | M273 H278 S279 L280 M299 L311 V312 | M273-Y297 HydrophobicContact CB-CE2 4.42Å; M273-Y297 HydrophobicContact CG-CE2 4.21Å; H278-Y297 HydrophobicContact CB-CE1 4.09Å; H278-Y297 HydrophobicContact CB-CE2 4.31Å; H278-Y297 WeakPolarHBondContact CB-OH 3.1Å; H278-Y297 AromaticContact CG-CE1 4Å; H278-Y297 AromaticContact CG-CZ 3.98Å; H278-Y297 AromaticContact ND1-CE1 3.37Å; H278-Y297 WeakPolarHBondContact ND1-CE1 3.2Å; H278-Y297 AromaticContact ND1-CZ 3.46Å; H278-Y297 PolarHBondContact ND1-OH 2.8Å; S279-Y297 WeakPolarHBondContact O-CA 3.21Å; L280-Y297 HydrophobicContact CB-CD2 4.32Å; L280-Y297 HydrophobicContact CD1-CD2 4.37Å; Y297-M299 HydrophobicContact CD1-CG 3.67Å; Y297-M299 HydrophobicContact CD1-SD 4.02Å; Y297-M299 HydrophobicContact CE1-CG 3.6Å; Y297-M299 HydrophobicContact CE1-SD 4.01Å; Y297-L311 WeakPolarHBondContact O-CA 3.28Å; Y297-V312 PolarHBondContact N-O 2.85Å; Y297-V312 PolarHBondContact O-N 3.17Å |
| 298 | K | 98 | Very high | 94.6 | Very high | 53 Ų | 53 | 51.9 Ų | 51.9 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.7 | 177.2 | 175.1 | 169.4 | 167.7 | 163.6 | 0 | 110 | H278 S279 Y309 L311 | H278-K298 CarbonylContact C-O 3.42Å; H278-K298 WeakPolarHBondContact CA-O 3.45Å; H278-K298 WeakPolarHBondContact CB-O 3.3Å; S279-K298 PolarHBondContact N-O 3.34Å; S279-K298 PolarHBondContact O-N 3.46Å; K298-Y309 HydrophobicContact CD-CD1 4.17Å; K298-Y309 HydrophobicContact CD-CD2 3.87Å; K298-Y309 HydrophobicContact CD-CE1 4.36Å; K298-Y309 HydrophobicContact CD-CE2 4.09Å; K298-Y309 HydrophobicContact CD-CG 3.91Å; K298-Y309 VanDerWaalsContact CE-CG 3.42Å; K298-Y309 HydrophobicContact CG-CD2 3.78Å; K298-Y309 HydrophobicContact CG-CE2 4.38Å; K298-Y309 HydrophobicContact CG-CG 3.96Å; K298-L311 HydrophobicContact CB-CD2 3.52Å; K298-L311 HydrophobicContact CD-CD2 4.45Å; K298-L311 HydrophobicContact CG-CD2 3.92Å |
| 299 | M | 97.9 | Very high | 95 | Very high | 60 Ų | 60 | 49.2 Ų | 49.2 | 30% | 0.296 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 93.2 | 177.6 | -62.9 | 171.1 | 59.2 | 0 | 0 | 108.5 | Y297 Y309 Y310 V312 | Y297-M299 HydrophobicContact CD1-CG 3.67Å; Y297-M299 HydrophobicContact CD1-SD 4.02Å; Y297-M299 HydrophobicContact CE1-CG 3.6Å; Y297-M299 HydrophobicContact CE1-SD 4.01Å; M299-Y309 CarbonylContact O-C 3.58Å; M299-Y309 VanDerWaalsContact O-CA 3.31Å; M299-Y309 WeakPolarHBondContact O-CA 3.34Å; M299-Y309 WeakPolarHBondContact O-CB 3.14Å; M299-Y310 PolarHBondContact N-O 2.9Å; M299-Y310 PolarHBondContact O-N 3.01Å; M299-V312 HydrophobicContact SD-CG2 4.39Å |
| 300 | P | 97.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 148 | 174.3 | -28.4 | 38.2 | 0 | 0 | 0 | 112.8 | Y187 W217 G277 P305 | Y187-P300 HydrophobicContact CD1-CB 4.38Å; Y187-P300 HydrophobicContact CE1-CB 4.11Å; W217-P300 HydrophobicContact CZ2-CB 4.3Å; W217-P300 HydrophobicContact CZ2-CG 4.01Å; G277-P300 WeakPolarHBondContact O-CG 3.4Å; P300-P305 HydrophobicContact CB-CB 3.7Å |
| 301 | L | 95.6 | Very high | 95.5 | Very high | 42 Ų | 42 | 53.1 Ų | 53.1 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | trans | -104.1 | 125.6 | 177.9 | -77.1 | 168.1 | 0 | 0 | 0 | 111.3 | K303 N304 P305 Q308 Y310 | L301-K303 VanDerWaalsContact C-N 3.27Å; L301-K303 PolarHBondContact O-N 3.39Å; L301-N304 CarbonylContact O-C 3.48Å; L301-N304 PolarHBondContact O-N 2.94Å; L301-P305 VanDerWaalsContact O-CA 3.29Å; L301-P305 WeakPolarHBondContact O-CA 3.46Å; L301-P305 VanDerWaalsContact O-N 3.15Å; L301-Q308 HydrophobicContact CB-CB 4.33Å; L301-Q308 WeakPolarHBondContact CB-O 3.47Å; L301-Q308 HydrophobicContact CD1-CB 4.38Å; L301-Q308 PolarHBondContact N-O 2.77Å; L301-Y310 HydrophobicContact CD1-CD2 4.4Å; L301-Y310 HydrophobicContact CD1-CE2 4.26Å; L301-Y310 HydrophobicContact CD2-CD2 3.96Å; L301-Y310 HydrophobicContact CD2-CE2 3.7Å; L301-Y310 HydrophobicContact CG-CD2 4.33Å; L301-Y310 HydrophobicContact CG-CE2 4.38Å | ||
| 302 | L | 94 | Very high | 95.6 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -38.7 | -49 | -177.2 | 177.9 | 58.3 | 0 | 0 | 0 | 114.8 | E186 Y187 N190 N304 | E186-L302 VanDerWaalsContact C-CD1 3.46Å; E186-L302 HydrophobicContact CB-CD1 3.76Å; E186-L302 HydrophobicContact CG-CD1 3.56Å; E186-L302 WeakPolarHBondContact O-CD1 3.48Å; Y187-L302 HydrophobicContact CD2-CD1 3.81Å; Y187-L302 HydrophobicContact CE2-CB 4.24Å; Y187-L302 HydrophobicContact CE2-CD1 3.87Å; Y187-L302 HydrophobicContact CG-CD1 4.29Å; N190-L302 WeakPolarHBondContact CB-O 3.04Å; N190-L302 PolarHBondContact ND2-O 3.14Å; L302-N304 VanDerWaalsContact C-N 3.26Å; L302-N304 PolarHBondContact O-N 2.92Å |
| 303 | K | 86.9 | Confident | 95.6 | Very high | 176 Ų | 176 | 55.5 Ų | 55.5 | 77% | 0.765 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -25.7 | -174.7 | -178 | 170.5 | -179.6 | 178.7 | 0 | 114.5 | N190 L301 | N190-K303 PolarHBondContact OD1-O 3.07Å; L301-K303 VanDerWaalsContact C-N 3.27Å; L301-K303 PolarHBondContact O-N 3.39Å |
| 304 | N | 88.2 | Confident | 95.6 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -165.9 | 83.5 | 177 | 179.8 | -22.9 | 0 | 0 | 0 | 107.7 | L301 L302 L306 E307 Q308 | L301-N304 CarbonylContact O-C 3.48Å; L301-N304 PolarHBondContact O-N 2.94Å; L302-N304 VanDerWaalsContact C-N 3.26Å; L302-N304 PolarHBondContact O-N 2.92Å; N304-L306 VanDerWaalsContact C-N 3.32Å; N304-L306 PolarHBondContact O-N 3Å; N304-E307 PolarHBondContact ND2-OE2 3Å; N304-E307 VanDerWaalsContact OD1-CB 3.3Å; N304-E307 WeakPolarHBondContact OD1-CB 3.41Å; N304-E307 WeakPolarHBondContact OD1-CG 2.94Å; N304-E307 PolarHBondContact OD1-N 2.76Å; N304-Q308 HydrophobicContact CB-CB 4.46Å; N304-Q308 HydrophobicContact CB-CG 4.18Å; N304-Q308 WeakPolarHBondContact O-CA 3.29Å; N304-Q308 VanDerWaalsContact O-CB 3.29Å; N304-Q308 WeakPolarHBondContact O-CB 3.44Å; N304-Q308 PolarHBondContact O-N 2.87Å |
| 305 | P | 91.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -12.2 | -165.6 | 28.4 | -31.4 | 0 | 0 | 0 | 114.1 | Y187 L191 W217 P300 L301 | Y187-P305 HydrophobicContact CD1-CB 3.66Å; Y187-P305 HydrophobicContact CD1-CG 4.1Å; Y187-P305 HydrophobicContact CE1-CB 4.23Å; Y187-P305 WeakPolarHBondContact O-CG 3.49Å; L191-P305 HydrophobicContact CD2-CG 3.94Å; L191-P305 HydrophobicContact CG-CG 4.1Å; W217-P305 HydrophobicContact CH2-CB 4.07Å; W217-P305 HydrophobicContact CH2-CG 4.24Å; P300-P305 HydrophobicContact CB-CB 3.7Å; L301-P305 VanDerWaalsContact O-CA 3.29Å; L301-P305 WeakPolarHBondContact O-CA 3.46Å; L301-P305 VanDerWaalsContact O-N 3.15Å |
| 306 | L | 89.3 | Confident | 95.6 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 23% | 0.225 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -54.9 | 171.5 | -174.5 | 61.5 | 0 | 0 | 0 | 110.4 | L191 R211 A214 N304 | L191-L306 HydrophobicContact CD2-CB 3.73Å; R211-L306 HydrophobicContact CB-CD2 4.38Å; R211-L306 HydrophobicContact CG-CD2 4.14Å; A214-L306 HydrophobicContact CB-CD1 4Å; A214-L306 HydrophobicContact CB-CD2 4.42Å; N304-L306 VanDerWaalsContact C-N 3.32Å; N304-L306 PolarHBondContact O-N 3Å |
| 307 | E | 91 | Very high | 95.6 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 22% | 0.224 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -21.5 | -172.9 | -55.9 | -171.3 | 132.1 | 0 | 0 | 113.6 | N304 W337 D338 S340 | N304-E307 PolarHBondContact ND2-OE2 3Å; N304-E307 VanDerWaalsContact OD1-CB 3.3Å; N304-E307 WeakPolarHBondContact OD1-CB 3.41Å; N304-E307 WeakPolarHBondContact OD1-CG 2.94Å; N304-E307 PolarHBondContact OD1-N 2.76Å; E307-W337 CarbonylContact O-C 3.57Å; E307-W337 WeakPolarHBondContact O-CA 3.28Å; E307-D338 WeakPolarHBondContact CA-O 3.17Å; E307-D338 WeakPolarHBondContact CB-O 3.47Å; E307-D338 VanDerWaalsContact CG-O 3.25Å; E307-D338 WeakPolarHBondContact CG-O 3.42Å; E307-D338 PolarHBondContact O-N 3.19Å; E307-S340 PolarHBondContact OE1-N 3.38Å |
| 308 | Q | 96.6 | Very high | 95.6 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.2 | -171.2 | -56.9 | -169.8 | 42.9 | 0 | 0 | 112.3 | L301 N304 | L301-Q308 HydrophobicContact CB-CB 4.33Å; L301-Q308 WeakPolarHBondContact CB-O 3.47Å; L301-Q308 HydrophobicContact CD1-CB 4.38Å; L301-Q308 PolarHBondContact N-O 2.77Å; N304-Q308 HydrophobicContact CB-CB 4.46Å; N304-Q308 HydrophobicContact CB-CG 4.18Å; N304-Q308 WeakPolarHBondContact O-CA 3.29Å; N304-Q308 VanDerWaalsContact O-CB 3.29Å; N304-Q308 WeakPolarHBondContact O-CB 3.44Å; N304-Q308 PolarHBondContact O-N 2.87Å |
| 309 | Y | 97.6 | Very high | 95.6 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 161.1 | -176.4 | 56.1 | -92 | 0 | 0 | 0 | 112.8 | K298 M299 L311 R335 Y336 D338 | K298-Y309 HydrophobicContact CD-CD1 4.17Å; K298-Y309 HydrophobicContact CD-CD2 3.87Å; K298-Y309 HydrophobicContact CD-CE1 4.36Å; K298-Y309 HydrophobicContact CD-CE2 4.09Å; K298-Y309 HydrophobicContact CD-CG 3.91Å; K298-Y309 VanDerWaalsContact CE-CG 3.42Å; K298-Y309 HydrophobicContact CG-CD2 3.78Å; K298-Y309 HydrophobicContact CG-CE2 4.38Å; K298-Y309 HydrophobicContact CG-CG 3.96Å; M299-Y309 CarbonylContact O-C 3.58Å; M299-Y309 VanDerWaalsContact O-CA 3.31Å; M299-Y309 WeakPolarHBondContact O-CA 3.34Å; M299-Y309 WeakPolarHBondContact O-CB 3.14Å; Y309-L311 HydrophobicContact CD2-CD2 3.6Å; Y309-L311 HydrophobicContact CD2-CG 3.91Å; Y309-L311 HydrophobicContact CE2-CD1 4.12Å; Y309-L311 HydrophobicContact CE2-CD2 3.48Å; Y309-L311 VanDerWaalsContact CE2-CD2 3.48Å; Y309-L311 HydrophobicContact CE2-CG 3.64Å; Y309-R335 WeakPolarHBondContact O-CD 3.42Å; Y309-Y336 HydrophobicContact CD2-CG 4.29Å; Y309-Y336 HydrophobicContact CE2-CD1 4.09Å; Y309-Y336 AromaticContact CE2-CD2 3.89Å; Y309-Y336 HydrophobicContact CE2-CD2 3.89Å; Y309-Y336 AromaticContact CE2-CG 3.52Å; Y309-Y336 HydrophobicContact CE2-CG 3.52Å; Y309-Y336 VanDerWaalsContact CZ-CB 3.43Å; Y309-Y336 AromaticContact CZ-CD1 3.88Å; Y309-Y336 AromaticContact CZ-CG 3.7Å; Y309-Y336 PolarHBondContact N-O 2.93Å; Y309-Y336 PolarHBondContact O-N 3.24Å; Y309-Y336 WeakPolarHBondContact OH-CD1 3.27Å; Y309-D338 HydrophobicContact CE1-CB 4.47Å; Y309-D338 PolarHBondContact OH-OD2 3.1Å |
| 310 | Y | 98.4 | Very high | 95.5 | Very high | 113 Ų | 113 | 49.8 Ų | 49.8 | 44% | 0.443 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 151.2 | 159.3 | -64.9 | -69.5 | 0 | 0 | 0 | 110.6 | M299 L301 S334 R335 | M299-Y310 PolarHBondContact N-O 2.9Å; M299-Y310 PolarHBondContact O-N 3.01Å; L301-Y310 HydrophobicContact CD1-CD2 4.4Å; L301-Y310 HydrophobicContact CD1-CE2 4.26Å; L301-Y310 HydrophobicContact CD2-CD2 3.96Å; L301-Y310 HydrophobicContact CD2-CE2 3.7Å; L301-Y310 HydrophobicContact CG-CD2 4.33Å; L301-Y310 HydrophobicContact CG-CE2 4.38Å; Y310-S334 CarbonylContact C-O 3.22Å; Y310-S334 WeakPolarHBondContact CA-O 3.44Å; Y310-R335 HydrophobicContact CD1-CB 3.86Å; Y310-R335 HydrophobicContact CD1-CG 4.34Å; Y310-R335 HydrophobicContact CE1-CB 3.83Å; Y310-R335 HydrophobicContact CE1-CG 4.05Å |
| 311 | L | 97.9 | Very high | 95.3 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.6 | 160.4 | -59.4 | -175.8 | 0 | 0 | 0 | 109.2 | Y297 K298 Y309 Q313 S334 Y336 | Y297-L311 WeakPolarHBondContact O-CA 3.28Å; K298-L311 HydrophobicContact CB-CD2 3.52Å; K298-L311 HydrophobicContact CD-CD2 4.45Å; K298-L311 HydrophobicContact CG-CD2 3.92Å; Y309-L311 HydrophobicContact CD2-CD2 3.6Å; Y309-L311 HydrophobicContact CD2-CG 3.91Å; Y309-L311 HydrophobicContact CE2-CD1 4.12Å; Y309-L311 HydrophobicContact CE2-CD2 3.48Å; Y309-L311 VanDerWaalsContact CE2-CD2 3.48Å; Y309-L311 HydrophobicContact CE2-CG 3.64Å; L311-Q313 HydrophobicContact CB-CG 3.79Å; L311-Q313 HydrophobicContact CD1-CG 4.27Å; L311-S334 PolarHBondContact N-O 3.07Å; L311-S334 PolarHBondContact O-N 2.88Å; L311-Y336 HydrophobicContact CD1-CD2 4Å; L311-Y336 HydrophobicContact CD1-CE2 3.6Å; L311-Y336 HydrophobicContact CG-CD2 4.04Å; L311-Y336 HydrophobicContact CG-CE2 4.1Å |
| 312 | V | 98.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 47% | 0.467 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 118 | 157.1 | -179.7 | 0 | 0 | 0 | 0 | 106.7 | Y297 M299 | Y297-V312 PolarHBondContact N-O 2.85Å; Y297-V312 PolarHBondContact O-N 3.17Å; M299-V312 HydrophobicContact SD-CG2 4.39Å |
| 313 | Q | 98.2 | Very high | 95.1 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 144 | -176.5 | -46.8 | -170.4 | -78.7 | 0 | 0 | 109.7 | F295 S296 L311 L331 V332 | F295-Q313 CarbonylContact O-C 3.56Å; F295-Q313 WeakPolarHBondContact O-CA 3.23Å; S296-Q313 PolarHBondContact OG-NE2 3.23Å; L311-Q313 HydrophobicContact CB-CG 3.79Å; L311-Q313 HydrophobicContact CD1-CG 4.27Å; Q313-L331 CarbonylContact O-C 3.58Å; Q313-L331 WeakPolarHBondContact O-CA 3.49Å; Q313-V332 HydrophobicContact CB-CB 4.25Å; Q313-V332 PolarHBondContact N-O 2.83Å; Q313-V332 PolarHBondContact O-N 3.09Å |
| 314 | G | 97.8 | Very high | 95.6 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 132.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | F295 T330 | F295-G314 PolarHBondContact N-O 3.08Å; F295-G314 PolarHBondContact O-N 3.1Å; G314-T330 CarbonylContact C-O 3.36Å; G314-T330 VanDerWaalsContact CA-O 3.31Å; G314-T330 WeakPolarHBondContact CA-O 3.49Å |
| 315 | G | 97.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 46 Ų | 46 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 134.5 | -176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L293 T330 | L293-G315 WeakPolarHBondContact O-CA 3.47Å; G315-T330 PolarHBondContact N-O 2.82Å; G315-T330 PolarHBondContact O-N 2.77Å; G315-T330 PolarHBondContact O-OG1 2.9Å |
| 316 | F | 98.4 | Very high | 96.3 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 39% | 0.386 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 135.4 | 162.9 | 175.9 | -95.5 | 0 | 0 | 0 | 109.1 | T292 L293 R318 D327 S328 | T292-F316 CarbonylContact C-O 3Å; T292-F316 WeakPolarHBondContact CA-O 3.38Å; L293-F316 PolarHBondContact N-O 3.14Å; L293-F316 PolarHBondContact O-N 3.47Å; F316-R318 HydrophobicContact CE1-CB 4.06Å; F316-R318 HydrophobicContact CZ-CB 4.27Å; F316-D327 HydrophobicContact CE2-CB 4.12Å; F316-D327 HydrophobicContact CZ-CB 4.2Å; F316-S328 WeakPolarHBondContact CA-O 2.99Å; F316-S328 WeakPolarHBondContact CD2-O 3.41Å |
| 317 | K | 98.2 | Very high | 96.8 | Very high | 33 Ų | 33 | 46.6 Ų | 46.6 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 124.4 | 173.6 | -179.2 | -176.8 | 174.1 | -150 | 0 | 110.7 | E290 Q291 T292 T319 S328 D447 | E290-K317 WeakPolarHBondContact OE1-CE 3.18Å; E290-K317 IonicContact OE1-NZ 2.81Å; E290-K317 PolarHBondContact OE1-NZ 2.57Å; Q291-K317 WeakPolarHBondContact O-CA 3.18Å; T292-K317 HydrophobicContact CG2-CB 4.28Å; T292-K317 HydrophobicContact CG2-CD 4.19Å; T292-K317 HydrophobicContact CG2-CG 3.88Å; K317-T319 WeakPolarHBondContact CE-OG1 3.43Å; K317-T319 PolarHBondContact NZ-OG1 3.48Å; K317-S328 PolarHBondContact N-O 2.76Å; K317-S328 PolarHBondContact O-N 2.63Å; K317-D447 VanDerWaalsContact CD-OD2 3.32Å; K317-D447 WeakPolarHBondContact CD-OD2 3.42Å; K317-D447 WeakPolarHBondContact CE-OD2 3.22Å; K317-D447 IonicContact NZ-OD1 3.9Å; K317-D447 PolarHBondContact NZ-OD1 2.99Å; K317-D447 IonicContact NZ-OD2 3.53Å; K317-D447 PolarHBondContact NZ-OD2 3.01Å |
| 318 | R | 98.2 | Very high | 97.1 | Very high | 77 Ų | 77 | 44.7 Ų | 44.7 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 139.8 | 161.7 | -177.8 | 170 | -174.2 | 81.8 | 8.2 | 110.1 | E290 Q291 F316 S326 D327 | E290-R318 WeakPolarHBondContact CA-O 3.12Å; Q291-R318 PolarHBondContact N-O 3.07Å; Q291-R318 PolarHBondContact O-N 2.89Å; F316-R318 HydrophobicContact CE1-CB 4.06Å; F316-R318 HydrophobicContact CZ-CB 4.27Å; R318-S326 CarbonylContact C-O 3.58Å; R318-S326 WeakPolarHBondContact CA-O 3.38Å; R318-D327 WeakPolarHBondContact CB-OD1 2.93Å; R318-D327 WeakPolarHBondContact CG-OD1 3.47Å; R318-D327 IonicContact CZ-OD1 3.36Å; R318-D327 IonicContact CZ-OD2 2.66Å; R318-D327 IonicContact NH1-OD1 2.73Å; R318-D327 PolarHBondContact NH1-OD1 2.96Å; R318-D327 IonicContact NH1-OD2 2.75Å; R318-D327 PolarHBondContact NH1-OD2 2.76Å |
| 319 | T | 97.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.6 | 174.5 | -51.1 | 0 | 0 | 0 | 0 | 110 | P289 E290 K317 L321 T324 E325 S326 | P289-T319 CarbonylContact O-C 3.56Å; P289-T319 VanDerWaalsContact O-CA 3.31Å; P289-T319 WeakPolarHBondContact O-CA 3.18Å; E290-T319 HydrophobicContact CG-CG2 4.15Å; K317-T319 WeakPolarHBondContact CE-OG1 3.43Å; K317-T319 PolarHBondContact NZ-OG1 3.48Å; T319-L321 HydrophobicContact CG2-CB 4.14Å; T319-T324 HydrophobicContact CG2-CG2 4.49Å; T319-E325 CarbonylContact O-C 3.51Å; T319-E325 WeakPolarHBondContact O-CA 3.28Å; T319-S326 PolarHBondContact N-O 2.86Å; T319-S326 PolarHBondContact O-N 2.79Å |
| 320 | D | 95.6 | Very high | 97.2 | Very high | 88 Ų | 88 | 45.9 Ų | 45.9 | 47% | 0.471 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 94.5 | 175 | -179.3 | -17.4 | 0 | 0 | 0 | 106.9 | P289 T324 | P289-D320 WeakPolarHBondContact CA-O 3.22Å; P289-D320 VanDerWaalsContact CB-O 3.27Å; P289-D320 WeakPolarHBondContact CB-O 3.44Å; P289-D320 PolarHBondContact O-N 2.95Å; D320-T324 WeakPolarHBondContact CA-O 2.96Å |
| 321 | L | 94.2 | Very high | 97.2 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 120.5 | -167 | 179.5 | 57 | 0 | 0 | 0 | 113.2 | P289 T319 D323 T324 Y463 K464 | P289-L321 HydrophobicContact CB-CB 4.02Å; P289-L321 HydrophobicContact CB-CD1 4Å; P289-L321 HydrophobicContact CB-CD2 4.43Å; P289-L321 HydrophobicContact CB-CG 4.37Å; T319-L321 HydrophobicContact CG2-CB 4.14Å; L321-D323 PolarHBondContact O-N 2.75Å; L321-D323 VanDerWaalsContact O-N 3.11Å; L321-T324 PolarHBondContact N-O 2.99Å; L321-T324 VanDerWaalsContact O-CB 3.27Å; L321-T324 WeakPolarHBondContact O-CB 3.43Å; L321-T324 PolarHBondContact O-N 2.77Å; L321-Y463 HydrophobicContact CD1-CD1 4.01Å; L321-Y463 HydrophobicContact CD2-CD1 3.55Å; L321-Y463 HydrophobicContact CD2-CE1 3.46Å; L321-Y463 VanDerWaalsContact CD2-CE1 3.46Å; L321-Y463 HydrophobicContact CG-CD1 4.45Å; L321-K464 HydrophobicContact CD2-CB 4.2Å; L321-K464 HydrophobicContact CD2-CD 3.79Å; L321-K464 HydrophobicContact CD2-CG 4.22Å |
| 322 | N | 92.5 | Very high | 97.3 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -112.2 | -177 | -56.8 | -34 | 0 | 0 | 0 | 109.8 | K462 Y463 K464 L475 | N322-K462 VanDerWaalsContact OD1-CE 3.25Å; N322-K462 WeakPolarHBondContact OD1-CE 3.23Å; N322-K462 PolarHBondContact OD1-NZ 2.93Å; N322-Y463 PolarHBondContact ND2-O 3.28Å; N322-K464 PolarHBondContact ND2-O 2.91Å; N322-L475 HydrophobicContact CB-CD1 4.06Å |
| 323 | D | 93.9 | Very high | 97.3 | Very high | 59 Ų | 59 | 43.6 Ų | 43.6 | 32% | 0.316 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 23 | -178.2 | -34.1 | -51.5 | 0 | 0 | 0 | 110.9 | L321 Q358 G359 D474 L475 | L321-D323 PolarHBondContact O-N 2.75Å; L321-D323 VanDerWaalsContact O-N 3.11Å; D323-Q358 CarbonylContact O-C 3.51Å; D323-Q358 WeakPolarHBondContact O-CA 3.42Å; D323-Q358 PolarHBondContact O-NE2 3.49Å; D323-G359 PolarHBondContact O-N 2.93Å; D323-D474 HydrophobicContact CB-CB 4.1Å; D323-L475 VanDerWaalsContact OD2-CB 3.3Å; D323-L475 WeakPolarHBondContact OD2-CB 3.39Å; D323-L475 WeakPolarHBondContact OD2-CG 3.39Å; D323-L475 PolarHBondContact OD2-N 3.17Å |
| 324 | T | 96.7 | Very high | 97.3 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 9% | 0.086 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 110.8 | -174.6 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | T319 D320 L321 T357 Q358 P446 | T319-T324 HydrophobicContact CG2-CG2 4.49Å; D320-T324 WeakPolarHBondContact CA-O 2.96Å; L321-T324 PolarHBondContact N-O 2.99Å; L321-T324 VanDerWaalsContact O-CB 3.27Å; L321-T324 WeakPolarHBondContact O-CB 3.43Å; L321-T324 PolarHBondContact O-N 2.77Å; T324-T357 WeakPolarHBondContact CA-O 3.49Å; T324-Q358 VanDerWaalsContact OG1-CD 3.24Å; T324-Q358 PolarHBondContact OG1-NE2 2.84Å; T324-Q358 PolarHBondContact OG1-OE1 3.31Å; T324-P446 HydrophobicContact CG2-CB 3.5Å; T324-P446 HydrophobicContact CG2-CG 3.81Å |
| 325 | E | 97.6 | Very high | 97.3 | Very high | 106 Ų | 106 | 42.5 Ų | 42.5 | 50% | 0.495 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.9 | 161.6 | -71.6 | -174.1 | -135 | 0 | 0 | 108.8 | T319 F356 T357 | T319-E325 CarbonylContact O-C 3.51Å; T319-E325 WeakPolarHBondContact O-CA 3.28Å; E325-F356 CarbonylContact O-C 3.59Å; E325-F356 VanDerWaalsContact O-CA 3.24Å; E325-F356 WeakPolarHBondContact O-CA 3.27Å; E325-T357 PolarHBondContact N-O 3.13Å; E325-T357 PolarHBondContact O-N 3.21Å |
| 326 | S | 97.7 | Very high | 97.3 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 139.3 | 175.5 | -175.6 | 0 | 0 | 0 | 0 | 113.7 | R318 T319 H355 | R318-S326 CarbonylContact C-O 3.58Å; R318-S326 WeakPolarHBondContact CA-O 3.38Å; T319-S326 PolarHBondContact N-O 2.86Å; T319-S326 PolarHBondContact O-N 2.79Å; S326-H355 CarbonylContact C-O 3.45Å; S326-H355 VanDerWaalsContact CA-O 3.25Å; S326-H355 WeakPolarHBondContact CA-O 3.49Å; S326-H355 PolarHBondContact OG-O 3.07Å |
| 327 | D | 98.3 | Very high | 97.3 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 27% | 0.267 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 110.2 | 164.2 | -65.2 | -64.6 | 0 | 0 | 0 | 108.5 | F316 R318 H355 | F316-D327 HydrophobicContact CE2-CB 4.12Å; F316-D327 HydrophobicContact CZ-CB 4.2Å; R318-D327 WeakPolarHBondContact CB-OD1 2.93Å; R318-D327 WeakPolarHBondContact CG-OD1 3.47Å; R318-D327 IonicContact CZ-OD1 3.36Å; R318-D327 IonicContact CZ-OD2 2.66Å; R318-D327 IonicContact NH1-OD1 2.73Å; R318-D327 PolarHBondContact NH1-OD1 2.96Å; R318-D327 IonicContact NH1-OD2 2.75Å; R318-D327 PolarHBondContact NH1-OD2 2.76Å; D327-H355 PolarHBondContact N-O 2.97Å; D327-H355 PolarHBondContact O-N 2.68Å; D327-H355 VanDerWaalsContact O-N 3.07Å |
| 328 | S | 98.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.9 | -179.1 | -179 | 0 | 0 | 0 | 0 | 110.9 | F316 K317 D354 | F316-S328 WeakPolarHBondContact CA-O 2.99Å; F316-S328 WeakPolarHBondContact CD2-O 3.41Å; K317-S328 PolarHBondContact N-O 2.76Å; K317-S328 PolarHBondContact O-N 2.63Å; S328-D354 WeakPolarHBondContact CB-OD1 3.49Å; S328-D354 PolarHBondContact OG-OD1 3.16Å |
| 329 | T | 98.5 | Very high | 96.3 | Very high | 58 Ų | 58 | 42.5 Ų | 42.5 | 36% | 0.356 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.7 | 168.9 | -56.7 | 0 | 0 | 0 | 0 | 109.3 | W351 S352 L353 | T329-W351 HydrophobicContact CG2-CZ3 4.23Å; T329-S352 CarbonylContact O-C 3.59Å; T329-S352 VanDerWaalsContact O-CA 3.24Å; T329-S352 WeakPolarHBondContact O-CA 3.41Å; T329-L353 PolarHBondContact N-O 2.82Å; T329-L353 PolarHBondContact O-N 2.86Å |
| 330 | T | 98.3 | Very high | 95 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 16% | 0.16 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.9 | -177.2 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | G314 G315 W351 | G314-T330 CarbonylContact C-O 3.36Å; G314-T330 VanDerWaalsContact CA-O 3.31Å; G314-T330 WeakPolarHBondContact CA-O 3.49Å; G315-T330 PolarHBondContact N-O 2.82Å; G315-T330 PolarHBondContact O-N 2.77Å; G315-T330 PolarHBondContact O-OG1 2.9Å; T330-W351 WeakPolarHBondContact CA-O 2.92Å |
| 331 | L | 98.5 | Very high | 94.2 | Very high | 92 Ų | 92 | 46.2 Ų | 46.2 | 48% | 0.482 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 133.5 | 165.7 | -66.5 | 172.6 | 0 | 0 | 0 | 108.3 | Q313 R350 W351 | Q313-L331 CarbonylContact O-C 3.58Å; Q313-L331 WeakPolarHBondContact O-CA 3.49Å; L331-R350 WeakPolarHBondContact O-CA 3.37Å; L331-W351 HydrophobicContact CB-CB 4.48Å; L331-W351 HydrophobicContact CB-CE3 4.02Å; L331-W351 HydrophobicContact CD1-CE3 3.75Å; L331-W351 HydrophobicContact CD1-CZ3 4.04Å; L331-W351 HydrophobicContact CG-CE3 3.82Å; L331-W351 HydrophobicContact CG-CZ3 4.18Å; L331-W351 PolarHBondContact N-O 2.83Å; L331-W351 PolarHBondContact O-N 3.05Å; L331-W351 VanDerWaalsContact O-O 3.09Å |
| 332 | V | 98.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 120.8 | -179.9 | -157.9 | 0 | 0 | 0 | 0 | 110 | Q313 S334 N348 L349 R350 | Q313-V332 HydrophobicContact CB-CB 4.25Å; Q313-V332 PolarHBondContact N-O 2.83Å; Q313-V332 PolarHBondContact O-N 3.09Å; V332-S334 WeakPolarHBondContact CG1-OG 3.35Å; V332-N348 HydrophobicContact CG1-CB 4.16Å; V332-L349 WeakPolarHBondContact CA-O 3.5Å; V332-R350 HydrophobicContact CG2-CG 4.24Å |
| 333 | A | 98.6 | Very high | 93.6 | Very high | 54 Ų | 54 | 48.1 Ų | 48.1 | 45% | 0.446 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | N348 L349 | A333-N348 CarbonylContact O-C 3.58Å; A333-L349 PolarHBondContact N-O 2.85Å; A333-L349 PolarHBondContact O-N 2.78Å |
| 334 | S | 98.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 148 | -175 | -44 | 0 | 0 | 0 | 0 | 111.9 | Y310 L311 V332 I347 N348 | Y310-S334 CarbonylContact C-O 3.22Å; Y310-S334 WeakPolarHBondContact CA-O 3.44Å; L311-S334 PolarHBondContact N-O 3.07Å; L311-S334 PolarHBondContact O-N 2.88Å; V332-S334 WeakPolarHBondContact CG1-OG 3.35Å; S334-I347 CarbonylContact C-O 3.45Å; S334-I347 VanDerWaalsContact CA-O 3.3Å; S334-I347 WeakPolarHBondContact CA-O 3.41Å; S334-N348 PolarHBondContact OG-OD1 3.21Å |
| 335 | R | 98.3 | Very high | 93.8 | Very high | 45 Ų | 45 | 54.2 Ų | 54.2 | 17% | 0.17 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.4 | 170.8 | 174.2 | 54.7 | 163 | 95.5 | 1.3 | 109 | Y309 Y310 W337 A346 I347 | Y309-R335 WeakPolarHBondContact O-CD 3.42Å; Y310-R335 HydrophobicContact CD1-CB 3.86Å; Y310-R335 HydrophobicContact CD1-CG 4.34Å; Y310-R335 HydrophobicContact CE1-CB 3.83Å; Y310-R335 HydrophobicContact CE1-CG 4.05Å; R335-W337 HydrophobicContact CB-CH2 4.42Å; R335-W337 HydrophobicContact CB-CZ3 4.33Å; R335-W337 HydrophobicContact CG-CE3 4.29Å; R335-W337 HydrophobicContact CG-CH2 3.5Å; R335-W337 VanDerWaalsContact CG-CH2 3.5Å; R335-W337 HydrophobicContact CG-CZ2 3.94Å; R335-W337 HydrophobicContact CG-CZ3 3.68Å; R335-W337 VanDerWaalsContact NH1-NE1 3.16Å; R335-W337 WeakPolarHBondContact O-CZ3 3.48Å; R335-A346 CarbonylContact O-C 3.6Å; R335-A346 VanDerWaalsContact O-CA 3.23Å; R335-A346 WeakPolarHBondContact O-CA 3.46Å; R335-I347 PolarHBondContact N-O 2.82Å; R335-I347 PolarHBondContact O-N 3.11Å |
| 336 | Y | 97.7 | Very high | 93.8 | Very high | 31 Ų | 31 | 49.3 Ų | 49.3 | 12% | 0.122 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 149.3 | -175.7 | -87 | -107.4 | 0 | 0 | 0 | 112.5 | Y309 L311 R345 A346 M373 | Y309-Y336 HydrophobicContact CD2-CG 4.29Å; Y309-Y336 HydrophobicContact CE2-CD1 4.09Å; Y309-Y336 AromaticContact CE2-CD2 3.89Å; Y309-Y336 HydrophobicContact CE2-CD2 3.89Å; Y309-Y336 AromaticContact CE2-CG 3.52Å; Y309-Y336 HydrophobicContact CE2-CG 3.52Å; Y309-Y336 VanDerWaalsContact CZ-CB 3.43Å; Y309-Y336 AromaticContact CZ-CD1 3.88Å; Y309-Y336 AromaticContact CZ-CG 3.7Å; Y309-Y336 PolarHBondContact N-O 2.93Å; Y309-Y336 PolarHBondContact O-N 3.24Å; Y309-Y336 WeakPolarHBondContact OH-CD1 3.27Å; L311-Y336 HydrophobicContact CD1-CD2 4Å; L311-Y336 HydrophobicContact CD1-CE2 3.6Å; L311-Y336 HydrophobicContact CG-CD2 4.04Å; L311-Y336 HydrophobicContact CG-CE2 4.1Å; Y336-R345 CarbonylContact C-O 3.59Å; Y336-R345 WeakPolarHBondContact CA-O 2.97Å; Y336-A346 HydrophobicContact CD1-CB 3.99Å; Y336-A346 HydrophobicContact CD2-CB 3.89Å; Y336-A346 HydrophobicContact CE1-CB 3.84Å; Y336-A346 HydrophobicContact CE2-CB 3.72Å; Y336-A346 HydrophobicContact CG-CB 4Å; Y336-M373 HydrophobicContact CE1-CE 3.91Å; Y336-M373 WeakPolarHBondContact OH-CE 3.1Å |
| 337 | W | 97.5 | Very high | 93.8 | Very high | 78 Ų | 78 | 53.1 Ų | 53.1 | 30% | 0.295 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 107.8 | 165.7 | -61.3 | -104.2 | 0 | 0 | 0 | 108.3 | E307 R335 Q344 R345 I347 | E307-W337 CarbonylContact O-C 3.57Å; E307-W337 WeakPolarHBondContact O-CA 3.28Å; R335-W337 HydrophobicContact CB-CH2 4.42Å; R335-W337 HydrophobicContact CB-CZ3 4.33Å; R335-W337 HydrophobicContact CG-CE3 4.29Å; R335-W337 HydrophobicContact CG-CH2 3.5Å; R335-W337 VanDerWaalsContact CG-CH2 3.5Å; R335-W337 HydrophobicContact CG-CZ2 3.94Å; R335-W337 HydrophobicContact CG-CZ3 3.68Å; R335-W337 VanDerWaalsContact NH1-NE1 3.16Å; R335-W337 WeakPolarHBondContact O-CZ3 3.48Å; W337-Q344 WeakPolarHBondContact O-CA 3.29Å; W337-R345 HydrophobicContact CB-CB 4.45Å; W337-R345 PolarHBondContact N-O 3.16Å; W337-R345 PolarHBondContact O-N 3.35Å; W337-I347 HydrophobicContact CH2-CD1 4.07Å; W337-I347 HydrophobicContact CH2-CG1 4.48Å; W337-I347 HydrophobicContact CZ3-CD1 4.21Å; W337-I347 HydrophobicContact CZ3-CG1 4.13Å |
| 338 | D | 90.7 | Very high | 93.8 | Very high | 38 Ų | 38 | 51.7 Ų | 51.7 | 20% | 0.203 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 97.2 | 178.8 | -77.5 | 0.1 | 0 | 0 | 0 | 109.1 | E307 Y309 Q344 | E307-D338 WeakPolarHBondContact CA-O 3.17Å; E307-D338 WeakPolarHBondContact CB-O 3.47Å; E307-D338 VanDerWaalsContact CG-O 3.25Å; E307-D338 WeakPolarHBondContact CG-O 3.42Å; E307-D338 PolarHBondContact O-N 3.19Å; Y309-D338 HydrophobicContact CE1-CB 4.47Å; Y309-D338 PolarHBondContact OH-OD2 3.1Å; D338-Q344 WeakPolarHBondContact OD1-CB 3Å; D338-Q344 VanDerWaalsContact OD1-CG 3.26Å; D338-Q344 WeakPolarHBondContact OD1-CG 3.26Å; D338-Q344 PolarHBondContact OD1-NE2 3.02Å; D338-Q344 PolarHBondContact OD2-NE2 3.13Å |
| 339 | L | 85.2 | Confident | 93.8 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | trans | -79.6 | 145.3 | -175.5 | -56.9 | 175.4 | 0 | 0 | 0 | 111.6 | S341 G342 W343 | L339-S341 PolarHBondContact O-N 3.28Å; L339-G342 PolarHBondContact O-N 3.36Å; L339-W343 WeakPolarHBondContact CB-O 3.1Å; L339-W343 HydrophobicContact CD1-CB 4.31Å; L339-W343 PolarHBondContact N-O 2.86Å | ||
| 340 | S | 71.3 | Confident | 93.8 | Very high | 115 Ų | 115 | 55.2 Ų | 55.2 | 80% | 0.804 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.3 | -36.5 | 170.6 | 62.7 | 0 | 0 | 0 | 0 | 115.1 | E307 G342 | E307-S340 PolarHBondContact OE1-N 3.38Å; S340-G342 PolarHBondContact O-N 2.84Å; S340-G342 VanDerWaalsContact O-N 3.11Å |
| 341 | S | 77.3 | Confident | 93.8 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -2.4 | 176.1 | 64.5 | 0 | 0 | 0 | 0 | 115.2 | L339 R376 | L339-S341 PolarHBondContact O-N 3.28Å; S341-R376 VanDerWaalsContact O-CZ 3.23Å; S341-R376 PolarHBondContact O-NE 3.19Å; S341-R376 PolarHBondContact O-NH2 3.43Å |
| 342 | G | 81.5 | Confident | 93.7 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 82 | 6.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L339 S340 R376 | L339-G342 PolarHBondContact O-N 3.36Å; S340-G342 PolarHBondContact O-N 2.84Å; S340-G342 VanDerWaalsContact O-N 3.11Å; G342-R376 WeakPolarHBondContact O-CA 3.5Å; G342-R376 WeakPolarHBondContact O-CG 3.42Å |
| 343 | W | 94 | Very high | 93.7 | Very high | 70 Ų | 70 | 56.4 Ų | 56.4 | 27% | 0.265 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 122.4 | 167.7 | -80.7 | 112.1 | 0 | 0 | 0 | 110.3 | L339 I374 R376 | L339-W343 WeakPolarHBondContact CB-O 3.1Å; L339-W343 HydrophobicContact CD1-CB 4.31Å; L339-W343 PolarHBondContact N-O 2.86Å; W343-I374 HydrophobicContact CE3-CG2 3.83Å; W343-I374 HydrophobicContact CZ3-CG2 3.82Å; W343-R376 HydrophobicContact CD2-CB 3.76Å; W343-R376 HydrophobicContact CD2-CG 4.29Å; W343-R376 HydrophobicContact CE3-CB 3.51Å; W343-R376 HydrophobicContact CG-CB 4.34Å; W343-R376 HydrophobicContact CH2-CB 4.24Å; W343-R376 HydrophobicContact CZ2-CB 4.48Å; W343-R376 HydrophobicContact CZ3-CB 3.76Å |
| 344 | Q | 96.1 | Very high | 93.7 | Very high | 70 Ų | 70 | 54.2 Ų | 54.2 | 33% | 0.327 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.9 | 170.8 | -55.3 | -171.7 | -88.2 | 0 | 0 | 109.6 | W337 D338 I374 S375 | W337-Q344 WeakPolarHBondContact O-CA 3.29Å; D338-Q344 WeakPolarHBondContact OD1-CB 3Å; D338-Q344 VanDerWaalsContact OD1-CG 3.26Å; D338-Q344 WeakPolarHBondContact OD1-CG 3.26Å; D338-Q344 PolarHBondContact OD1-NE2 3.02Å; D338-Q344 PolarHBondContact OD2-NE2 3.13Å; Q344-I374 WeakPolarHBondContact O-CA 3.45Å; Q344-S375 PolarHBondContact N-O 3.43Å; Q344-S375 PolarHBondContact O-N 3.08Å |
| 345 | R | 97.7 | Very high | 93.7 | Very high | 131 Ų | 131 | 58.1 Ų | 58.1 | 49% | 0.494 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136.9 | 175.7 | -54.2 | 178.3 | -174.2 | 174.9 | 2.3 | 108.6 | Y336 W337 M373 | Y336-R345 CarbonylContact C-O 3.59Å; Y336-R345 WeakPolarHBondContact CA-O 2.97Å; W337-R345 HydrophobicContact CB-CB 4.45Å; W337-R345 PolarHBondContact N-O 3.16Å; W337-R345 PolarHBondContact O-N 3.35Å; R345-M373 CarbonylContact C-O 3.54Å |
| 346 | A | 97.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 144.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R335 Y336 V372 M373 | R335-A346 CarbonylContact O-C 3.6Å; R335-A346 VanDerWaalsContact O-CA 3.23Å; R335-A346 WeakPolarHBondContact O-CA 3.46Å; Y336-A346 HydrophobicContact CD1-CB 3.99Å; Y336-A346 HydrophobicContact CD2-CB 3.89Å; Y336-A346 HydrophobicContact CE1-CB 3.84Å; Y336-A346 HydrophobicContact CE2-CB 3.72Å; Y336-A346 HydrophobicContact CG-CB 4Å; A346-V372 WeakPolarHBondContact O-CA 3.36Å; A346-M373 HydrophobicContact CB-CE 3.94Å; A346-M373 PolarHBondContact N-O 2.94Å; A346-M373 PolarHBondContact O-N 3Å |
| 347 | I | 98.3 | Very high | 93.6 | Very high | 88 Ų | 88 | 56.4 Ų | 56.4 | 45% | 0.451 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.1 | 163 | -59.2 | 173.9 | 0 | 0 | 0 | 106.9 | S334 R335 W337 V372 | S334-I347 CarbonylContact C-O 3.45Å; S334-I347 VanDerWaalsContact CA-O 3.3Å; S334-I347 WeakPolarHBondContact CA-O 3.41Å; R335-I347 PolarHBondContact N-O 2.82Å; R335-I347 PolarHBondContact O-N 3.11Å; W337-I347 HydrophobicContact CH2-CD1 4.07Å; W337-I347 HydrophobicContact CH2-CG1 4.48Å; W337-I347 HydrophobicContact CZ3-CD1 4.21Å; W337-I347 HydrophobicContact CZ3-CG1 4.13Å; I347-V372 HydrophobicContact CG1-CG2 4.41Å |
| 348 | N | 97.4 | Very high | 93.5 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 149.7 | -175.4 | -45.4 | -46.5 | 0 | 0 | 0 | 109.4 | V332 A333 S334 P370 G371 | V332-N348 HydrophobicContact CG1-CB 4.16Å; A333-N348 CarbonylContact O-C 3.58Å; S334-N348 PolarHBondContact OG-OD1 3.21Å; N348-P370 CarbonylContact O-C 3.54Å; N348-P370 VanDerWaalsContact O-CA 3.3Å; N348-P370 WeakPolarHBondContact O-CA 3.33Å; N348-G371 PolarHBondContact N-O 2.86Å; N348-G371 PolarHBondContact O-N 2.84Å |
| 349 | L | 98.3 | Very high | 93.5 | Very high | 72 Ų | 72 | 51.4 Ų | 51.4 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 111 | 166.2 | -179.9 | 64 | 0 | 0 | 0 | 106.9 | V332 A333 F368 P370 | V332-L349 WeakPolarHBondContact CA-O 3.5Å; A333-L349 PolarHBondContact N-O 2.85Å; A333-L349 PolarHBondContact O-N 2.78Å; L349-F368 HydrophobicContact CD1-CE1 4.33Å; L349-F368 HydrophobicContact CD1-CE2 3.91Å; L349-F368 HydrophobicContact CD1-CZ 3.78Å; L349-F368 HydrophobicContact CD2-CE2 4.22Å; L349-F368 HydrophobicContact CD2-CZ 3.94Å; L349-F368 HydrophobicContact CG-CE2 3.94Å; L349-F368 HydrophobicContact CG-CZ 4.03Å; L349-P370 HydrophobicContact CD1-CB 4.39Å |
| 350 | R | 98.3 | Very high | 93.7 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 25% | 0.253 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 138.6 | -177.2 | -171.5 | -178.9 | -48.7 | -96.3 | -1.3 | 111 | L331 V332 F368 Y369 | L331-R350 WeakPolarHBondContact O-CA 3.37Å; V332-R350 HydrophobicContact CG2-CG 4.24Å; R350-F368 WeakPolarHBondContact O-CA 3.49Å; R350-F368 WeakPolarHBondContact O-CD2 3.37Å; R350-Y369 HydrophobicContact CB-CD2 4.29Å; R350-Y369 HydrophobicContact CB-CE1 4.38Å; R350-Y369 HydrophobicContact CB-CE2 4.08Å; R350-Y369 VanDerWaalsContact CD-OH 3.27Å; R350-Y369 WeakPolarHBondContact CD-OH 3.22Å; R350-Y369 HydrophobicContact CG-CE1 4.45Å; R350-Y369 PolarHBondContact N-O 3.15Å; R350-Y369 PolarHBondContact NE-OH 3.05Å; R350-Y369 PolarHBondContact O-N 2.83Å |
| 351 | W | 98.2 | Very high | 94.6 | Very high | 81 Ų | 81 | 53.1 Ų | 53.1 | 31% | 0.307 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.9 | 154 | 174.9 | 79.1 | 0 | 0 | 0 | 109 | T329 T330 L331 L353 M366 L367 F368 | T329-W351 HydrophobicContact CG2-CZ3 4.23Å; T330-W351 WeakPolarHBondContact CA-O 2.92Å; L331-W351 HydrophobicContact CB-CB 4.48Å; L331-W351 HydrophobicContact CB-CE3 4.02Å; L331-W351 HydrophobicContact CD1-CE3 3.75Å; L331-W351 HydrophobicContact CD1-CZ3 4.04Å; L331-W351 HydrophobicContact CG-CE3 3.82Å; L331-W351 HydrophobicContact CG-CZ3 4.18Å; L331-W351 PolarHBondContact N-O 2.83Å; L331-W351 PolarHBondContact O-N 3.05Å; L331-W351 VanDerWaalsContact O-O 3.09Å; W351-L353 HydrophobicContact CH2-CB 3.76Å; W351-L353 HydrophobicContact CZ2-CB 3.77Å; W351-M366 VanDerWaalsContact CD1-SD 3.51Å; W351-M366 HydrophobicContact CZ2-CG 4.42Å; W351-M366 PolarHBondContact NE1-SD 2.85Å; W351-L367 CarbonylContact C-O 3.48Å; W351-L367 VanDerWaalsContact CA-O 3.29Å; W351-L367 WeakPolarHBondContact CA-O 3.36Å; W351-F368 HydrophobicContact CB-CD2 4.19Å |
| 352 | S | 97.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 154.7 | 166.3 | 69.9 | 0 | 0 | 0 | 0 | 112 | T329 D354 M366 L367 | T329-S352 CarbonylContact O-C 3.59Å; T329-S352 VanDerWaalsContact O-CA 3.24Å; T329-S352 WeakPolarHBondContact O-CA 3.41Å; S352-D354 VanDerWaalsContact CB-OD2 3.23Å; S352-D354 WeakPolarHBondContact CB-OD2 3.4Å; S352-D354 PolarHBondContact OG-OD2 2.89Å; S352-M366 CarbonylContact O-C 2.93Å; S352-M366 WeakPolarHBondContact O-CA 3.43Å; S352-L367 PolarHBondContact N-O 2.79Å; S352-L367 PolarHBondContact O-N 2.79Å |
| 353 | L | 98.2 | Very high | 96.1 | Very high | 70 Ų | 70 | 54.7 Ų | 54.7 | 37% | 0.366 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 113 | 167.4 | 179.7 | 66.1 | 0 | 0 | 0 | 107.3 | T329 W351 T364 M366 | T329-L353 PolarHBondContact N-O 2.82Å; T329-L353 PolarHBondContact O-N 2.86Å; W351-L353 HydrophobicContact CH2-CB 3.76Å; W351-L353 HydrophobicContact CZ2-CB 3.77Å; L353-T364 HydrophobicContact CD1-CG2 3.93Å; L353-M366 HydrophobicContact CD1-CB 3.99Å; L353-M366 HydrophobicContact CD1-CG 4.34Å |
| 354 | D | 97.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 109.6 | -171.1 | -60.5 | -84.3 | 0 | 0 | 0 | 108.7 | S328 S352 F356 T364 T365 P445 | S328-D354 WeakPolarHBondContact CB-OD1 3.49Å; S328-D354 PolarHBondContact OG-OD1 3.16Å; S352-D354 VanDerWaalsContact CB-OD2 3.23Å; S352-D354 WeakPolarHBondContact CB-OD2 3.4Å; S352-D354 PolarHBondContact OG-OD2 2.89Å; D354-F356 HydrophobicContact CB-CD1 4.34Å; D354-T364 WeakPolarHBondContact O-CA 3.49Å; D354-T365 PolarHBondContact N-O 2.75Å; D354-T365 PolarHBondContact O-N 2.76Å; D354-P445 HydrophobicContact CB-CB 3.74Å; D354-P445 HydrophobicContact CB-CG 3.61Å |
| 355 | H | 98.2 | Very high | 96.4 | Very high | 87 Ų | 87 | 52.1 Ų | 52.1 | 40% | 0.403 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.5 | 164.4 | -173.5 | 53.7 | 0 | 0 | 0 | 108 | S326 D327 N363 T364 | S326-H355 CarbonylContact C-O 3.45Å; S326-H355 VanDerWaalsContact CA-O 3.25Å; S326-H355 WeakPolarHBondContact CA-O 3.49Å; S326-H355 PolarHBondContact OG-O 3.07Å; D327-H355 PolarHBondContact N-O 2.97Å; D327-H355 PolarHBondContact O-N 2.68Å; D327-H355 VanDerWaalsContact O-N 3.07Å; H355-N363 PolarHBondContact ND1-O 2.7Å; H355-T364 PolarHBondContact ND1-OG1 2.81Å |
| 356 | F | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 155.4 | -175.4 | 67.7 | -94.8 | 0 | 0 | 0 | 113.4 | E325 D354 Q358 T362 N363 P445 P446 | E325-F356 CarbonylContact O-C 3.59Å; E325-F356 VanDerWaalsContact O-CA 3.24Å; E325-F356 WeakPolarHBondContact O-CA 3.27Å; D354-F356 HydrophobicContact CB-CD1 4.34Å; F356-Q358 HydrophobicContact CD2-CB 4.37Å; F356-T362 CarbonylContact O-C 3.17Å; F356-T362 VanDerWaalsContact O-CA 3.26Å; F356-T362 WeakPolarHBondContact O-CA 3.44Å; F356-N363 HydrophobicContact CD1-CB 4.44Å; F356-N363 HydrophobicContact CD2-CB 4.49Å; F356-N363 HydrophobicContact CE1-CB 3.81Å; F356-N363 HydrophobicContact CE2-CB 3.87Å; F356-N363 HydrophobicContact CZ-CB 3.5Å; F356-N363 PolarHBondContact N-O 3.21Å; F356-N363 PolarHBondContact O-N 2.77Å; F356-P445 HydrophobicContact CD1-CB 4.24Å; F356-P445 HydrophobicContact CE1-CB 4.15Å; F356-P445 HydrophobicContact CE1-CG 4.13Å; F356-P446 HydrophobicContact CB-CG 4Å; F356-P446 VanDerWaalsContact CD2-CD 3.43Å; F356-P446 HydrophobicContact CD2-CG 3.7Å; F356-P446 HydrophobicContact CE2-CG 4.32Å; F356-P446 HydrophobicContact CG-CG 3.92Å |
| 357 | T | 96.8 | Very high | 96.4 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126 | 167.4 | -63.3 | 0 | 0 | 0 | 0 | 107.8 | T324 E325 G359 I361 T362 | T324-T357 WeakPolarHBondContact CA-O 3.49Å; E325-T357 PolarHBondContact N-O 3.13Å; E325-T357 PolarHBondContact O-N 3.21Å; T357-G359 WeakPolarHBondContact CG2-O 3.48Å; T357-I361 CarbonylContact C-O 3.53Å; T357-I361 WeakPolarHBondContact CA-O 3.39Å; T357-T362 PolarHBondContact OG1-OG1 3.16Å |
| 358 | Q | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 100.8 | 178.6 | -173.6 | 66.7 | 68.6 | 0 | 0 | 109.3 | D323 T324 F356 I361 P446 Y470 L475 | D323-Q358 CarbonylContact O-C 3.51Å; D323-Q358 WeakPolarHBondContact O-CA 3.42Å; D323-Q358 PolarHBondContact O-NE2 3.49Å; T324-Q358 VanDerWaalsContact OG1-CD 3.24Å; T324-Q358 PolarHBondContact OG1-NE2 2.84Å; T324-Q358 PolarHBondContact OG1-OE1 3.31Å; F356-Q358 HydrophobicContact CD2-CB 4.37Å; Q358-I361 PolarHBondContact N-O 3.18Å; Q358-I361 PolarHBondContact O-N 2.81Å; Q358-P446 HydrophobicContact CB-CG 4.24Å; Q358-Y470 HydrophobicContact CG-CE2 4.45Å; Q358-Y470 VanDerWaalsContact O-CE2 3.26Å; Q358-Y470 WeakPolarHBondContact O-CE2 3.46Å; Q358-Y470 PolarHBondContact O-OH 2.88Å; Q358-L475 WeakPolarHBondContact CG-O 3.25Å; Q358-L475 PolarHBondContact NE2-O 3.15Å |
| 359 | G | 90.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 12% | 0.124 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | -136.5 | -159.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | D323 T357 I361 D474 | D323-G359 PolarHBondContact O-N 2.93Å; T357-G359 WeakPolarHBondContact CG2-O 3.48Å; G359-I361 PolarHBondContact O-N 3.15Å; G359-D474 WeakPolarHBondContact CA-OD2 3.48Å |
| 360 | E | 88.4 | Confident | 96.3 | Very high | 156 Ų | 156 | 46 Ų | 46 | 73% | 0.729 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -1.5 | 175.9 | -68.4 | 173.9 | -142.5 | 0 | 0 | 114.9 | N472 | E360-N472 PolarHBondContact OE1-ND2 3.02Š|
| 361 | I | 89.8 | Confident | 96.3 | Very high | 53 Ų | 53 | 43 Ų | 43 | 27% | 0.272 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 102.2 | -177.5 | -55.3 | -168.4 | 0 | 0 | 0 | 111.4 | T357 Q358 G359 D442 Y470 | T357-I361 CarbonylContact C-O 3.53Å; T357-I361 WeakPolarHBondContact CA-O 3.39Å; Q358-I361 PolarHBondContact N-O 3.18Å; Q358-I361 PolarHBondContact O-N 2.81Å; G359-I361 PolarHBondContact O-N 3.15Å; I361-D442 HydrophobicContact CD1-CB 4.28Å; I361-Y470 HydrophobicContact CD1-CE1 3.56Å; I361-Y470 HydrophobicContact CG1-CE1 4.22Å |
| 362 | T | 95.6 | Very high | 96.3 | Very high | 75 Ų | 75 | 42.2 Ų | 42.2 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 134 | 166.4 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | F356 T357 | F356-T362 CarbonylContact O-C 3.17Å; F356-T362 VanDerWaalsContact O-CA 3.26Å; F356-T362 WeakPolarHBondContact O-CA 3.44Å; T357-T362 PolarHBondContact OG1-OG1 3.16Å |
| 363 | N | 96.5 | Very high | 96.3 | Very high | 46 Ų | 46 | 42.4 Ų | 42.4 | 25% | 0.246 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 159.1 | 175 | -100.3 | -38.8 | 0 | 0 | 0 | 111.3 | H355 F356 D442 | H355-N363 PolarHBondContact ND1-O 2.7Å; F356-N363 HydrophobicContact CD1-CB 4.44Å; F356-N363 HydrophobicContact CD2-CB 4.49Å; F356-N363 HydrophobicContact CE1-CB 3.81Å; F356-N363 HydrophobicContact CE2-CB 3.87Å; F356-N363 HydrophobicContact CZ-CB 3.5Å; F356-N363 PolarHBondContact N-O 3.21Å; F356-N363 PolarHBondContact O-N 2.77Å; N363-D442 PolarHBondContact ND2-O 3.15Å |
| 364 | T | 97.3 | Very high | 96.3 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 122.7 | 161.6 | -55.5 | 0 | 0 | 0 | 0 | 106.7 | L353 D354 H355 | L353-T364 HydrophobicContact CD1-CG2 3.93Å; D354-T364 WeakPolarHBondContact O-CA 3.49Å; H355-T364 PolarHBondContact ND1-OG1 2.81Å |
| 365 | T | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 127.5 | -173.3 | -54.2 | 0 | 0 | 0 | 0 | 109.6 | D354 L367 D405 V406 K443 P445 | D354-T365 PolarHBondContact N-O 2.75Å; D354-T365 PolarHBondContact O-N 2.76Å; T365-L367 HydrophobicContact CG2-CD2 3.66Å; T365-L367 HydrophobicContact CG2-CG 4.01Å; T365-D405 HydrophobicContact CG2-CB 3.83Å; T365-V406 HydrophobicContact CG2-CG2 3.8Å; T365-K443 WeakPolarHBondContact CG2-O 3.43Å; T365-K443 PolarHBondContact OG1-O 3.09Å; T365-K443 VanDerWaalsContact OG1-O 3.09Å; T365-P445 HydrophobicContact CG2-CG 4.44Å |
| 366 | M | 98.1 | Very high | 96.3 | Very high | 57 Ų | 57 | 40.5 Ų | 40.5 | 28% | 0.281 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.6 | 172 | -167.4 | -82.1 | -67.5 | 0 | 0 | 108.9 | W351 S352 L353 G403 D405 | W351-M366 VanDerWaalsContact CD1-SD 3.51Å; W351-M366 HydrophobicContact CZ2-CG 4.42Å; W351-M366 PolarHBondContact NE1-SD 2.85Å; S352-M366 CarbonylContact O-C 2.93Å; S352-M366 WeakPolarHBondContact O-CA 3.43Å; L353-M366 HydrophobicContact CD1-CB 3.99Å; L353-M366 HydrophobicContact CD1-CG 4.34Å; M366-G403 WeakPolarHBondContact CE-O 3.1Å; M366-D405 PolarHBondContact N-OD2 3.26Å; M366-D405 WeakPolarHBondContact O-CB 3.25Å; M366-D405 PolarHBondContact O-N 2.96Å |
| 367 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 142.4 | -178.8 | -60.2 | 178.3 | 0 | 0 | 0 | 111.2 | W351 S352 T365 Y369 S404 V406 F408 P445 L448 | W351-L367 CarbonylContact C-O 3.48Å; W351-L367 VanDerWaalsContact CA-O 3.29Å; W351-L367 WeakPolarHBondContact CA-O 3.36Å; S352-L367 PolarHBondContact N-O 2.79Å; S352-L367 PolarHBondContact O-N 2.79Å; T365-L367 HydrophobicContact CG2-CD2 3.66Å; T365-L367 HydrophobicContact CG2-CG 4.01Å; L367-Y369 HydrophobicContact CB-CD1 3.91Å; L367-Y369 HydrophobicContact CB-CE1 3.86Å; L367-Y369 HydrophobicContact CD1-CE1 4.07Å; L367-S404 WeakPolarHBondContact CA-OG 3.35Å; L367-V406 HydrophobicContact CD2-CB 4.04Å; L367-V406 HydrophobicContact CD2-CG2 4.07Å; L367-F408 HydrophobicContact CD1-CE1 3.76Å; L367-F408 HydrophobicContact CD1-CZ 4.08Å; L367-F408 HydrophobicContact CD2-CE1 3.89Å; L367-F408 HydrophobicContact CG-CE1 4.41Å; L367-P445 HydrophobicContact CD1-CG 3.81Å; L367-L448 HydrophobicContact CD1-CD1 3.63Å |
| 368 | F | 97.5 | Very high | 95.5 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 31% | 0.307 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 119.3 | 170.6 | -171.8 | -121.6 | 0 | 0 | 0 | 109.1 | L349 R350 W351 W402 S404 | L349-F368 HydrophobicContact CD1-CE1 4.33Å; L349-F368 HydrophobicContact CD1-CE2 3.91Å; L349-F368 HydrophobicContact CD1-CZ 3.78Å; L349-F368 HydrophobicContact CD2-CE2 4.22Å; L349-F368 HydrophobicContact CD2-CZ 3.94Å; L349-F368 HydrophobicContact CG-CE2 3.94Å; L349-F368 HydrophobicContact CG-CZ 4.03Å; R350-F368 WeakPolarHBondContact O-CA 3.49Å; R350-F368 WeakPolarHBondContact O-CD2 3.37Å; W351-F368 HydrophobicContact CB-CD2 4.19Å; F368-W402 HydrophobicContact CD1-CB 4.45Å; F368-W402 AromaticContact CD1-CD1 3.71Å; F368-W402 HydrophobicContact CD1-CG 4.28Å; F368-W402 VanDerWaalsContact O-CD1 3.3Å; F368-W402 PolarHBondContact O-NE1 3.29Å; F368-S404 PolarHBondContact N-OG 2.84Å; F368-S404 WeakPolarHBondContact O-CB 3.12Å; F368-S404 PolarHBondContact O-OG 2.79Å |
| 369 | Y | 97.8 | Very high | 94.8 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 136.2 | -174.8 | 55.8 | -89.2 | 0 | 0 | 0 | 114.6 | R350 L367 D396 Y397 F408 | R350-Y369 HydrophobicContact CB-CD2 4.29Å; R350-Y369 HydrophobicContact CB-CE1 4.38Å; R350-Y369 HydrophobicContact CB-CE2 4.08Å; R350-Y369 VanDerWaalsContact CD-OH 3.27Å; R350-Y369 WeakPolarHBondContact CD-OH 3.22Å; R350-Y369 HydrophobicContact CG-CE1 4.45Å; R350-Y369 PolarHBondContact N-O 3.15Å; R350-Y369 PolarHBondContact NE-OH 3.05Å; R350-Y369 PolarHBondContact O-N 2.83Å; L367-Y369 HydrophobicContact CB-CD1 3.91Å; L367-Y369 HydrophobicContact CB-CE1 3.86Å; L367-Y369 HydrophobicContact CD1-CE1 4.07Å; Y369-D396 HydrophobicContact CD2-CB 3.82Å; Y369-D396 HydrophobicContact CE2-CB 3.79Å; Y369-Y397 VanDerWaalsContact CB-O 3.24Å; Y369-Y397 WeakPolarHBondContact CB-O 3.27Å; Y369-F408 AromaticContact CD1-CZ 3.86Å; Y369-F408 HydrophobicContact CD1-CZ 3.86Å; Y369-F408 AromaticContact CE1-CZ 3.88Å; Y369-F408 HydrophobicContact CE1-CZ 3.88Å; Y369-F408 HydrophobicContact CG-CE2 4.48Å; Y369-F408 HydrophobicContact CG-CZ 4.26Å |
| 370 | P | 97.9 | Very high | 94.1 | Very high | 48 Ų | 48 | 56 Ų | 56 | 31% | 0.312 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 157.1 | 160.2 | 31.1 | -37.1 | 0 | 0 | 0 | 112.2 | N348 L349 Y397 W402 | N348-P370 CarbonylContact O-C 3.54Å; N348-P370 VanDerWaalsContact O-CA 3.3Å; N348-P370 WeakPolarHBondContact O-CA 3.33Å; L349-P370 HydrophobicContact CD1-CB 4.39Å; P370-Y397 VanDerWaalsContact CD-O 3.27Å; P370-Y397 WeakPolarHBondContact CD-O 3.18Å; P370-Y397 PolarHBondContact O-N 2.87Å; P370-W402 HydrophobicContact CG-CH2 4.22Å; P370-W402 HydrophobicContact CG-CZ2 4.09Å |
| 371 | G | 97.8 | Very high | 93 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 164.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N348 I395 | N348-G371 PolarHBondContact N-O 2.86Å; N348-G371 PolarHBondContact O-N 2.84Å; G371-I395 CarbonylContact C-O 3.57Å; G371-I395 WeakPolarHBondContact CA-O 3.18Å |
| 372 | V | 98.1 | Very high | 91.9 | Very high | 64 Ų | 64 | 48.2 Ų | 48.2 | 39% | 0.388 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 139.7 | 178.5 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | A346 I347 S394 I395 | A346-V372 WeakPolarHBondContact O-CA 3.36Å; I347-V372 HydrophobicContact CG1-CG2 4.41Å; V372-S394 CarbonylContact O-C 3.52Å; V372-S394 WeakPolarHBondContact O-CA 3.46Å; V372-S394 WeakPolarHBondContact O-CB 3.48Å; V372-I395 HydrophobicContact CB-CG2 4.12Å; V372-I395 PolarHBondContact N-O 2.85Å; V372-I395 PolarHBondContact O-N 3.25Å |
| 373 | M | 97.7 | Very high | 90.5 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 133.8 | 179.2 | -178.2 | -91 | -68.1 | 0 | 0 | 110.8 | Y336 R345 A346 S375 R392 Y393 | Y336-M373 HydrophobicContact CE1-CE 3.91Å; Y336-M373 WeakPolarHBondContact OH-CE 3.1Å; R345-M373 CarbonylContact C-O 3.54Å; A346-M373 HydrophobicContact CB-CE 3.94Å; A346-M373 PolarHBondContact N-O 2.94Å; A346-M373 PolarHBondContact O-N 3Å; M373-S375 PolarHBondContact SD-OG 2.82Å; M373-R392 VanDerWaalsContact SD-CZ 3.6Å; M373-R392 PolarHBondContact SD-NH2 2.97Å; M373-Y393 WeakPolarHBondContact CA-O 3.31Å |
| 374 | I | 98.2 | Very high | 89.7 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 35% | 0.354 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.5 | 175.2 | -58.6 | 175.6 | 0 | 0 | 0 | 107.5 | W343 Q344 R392 Y393 | W343-I374 HydrophobicContact CE3-CG2 3.83Å; W343-I374 HydrophobicContact CZ3-CG2 3.82Å; Q344-I374 WeakPolarHBondContact O-CA 3.45Å; I374-R392 WeakPolarHBondContact O-CA 3.44Å; I374-Y393 PolarHBondContact N-O 3.01Å; I374-Y393 PolarHBondContact O-N 3.48Å |
| 375 | S | 97.5 | Very high | 88.9 | Confident | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 156.7 | 175.5 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | Q344 M373 Q391 R392 | Q344-S375 PolarHBondContact N-O 3.43Å; Q344-S375 PolarHBondContact O-N 3.08Å; M373-S375 PolarHBondContact SD-OG 2.82Å; S375-Q391 CarbonylContact C-O 3.46Å; S375-Q391 WeakPolarHBondContact CA-O 3.38Å; S375-Q391 WeakPolarHBondContact CB-O 3.49Å; S375-R392 PolarHBondContact OG-NH2 3.42Å |
| 376 | R | 97.2 | Very high | 88.1 | Confident | 49 Ų | 49 | 44.6 Ų | 44.6 | 19% | 0.185 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 139.3 | 171.4 | 180 | 172.3 | -156.6 | -167.1 | 6.1 | 108.3 | S341 G342 W343 R378 S390 Q391 | S341-R376 VanDerWaalsContact O-CZ 3.23Å; S341-R376 PolarHBondContact O-NE 3.19Å; S341-R376 PolarHBondContact O-NH2 3.43Å; G342-R376 WeakPolarHBondContact O-CA 3.5Å; G342-R376 WeakPolarHBondContact O-CG 3.42Å; W343-R376 HydrophobicContact CD2-CB 3.76Å; W343-R376 HydrophobicContact CD2-CG 4.29Å; W343-R376 HydrophobicContact CE3-CB 3.51Å; W343-R376 HydrophobicContact CG-CB 4.34Å; W343-R376 HydrophobicContact CH2-CB 4.24Å; W343-R376 HydrophobicContact CZ2-CB 4.48Å; W343-R376 HydrophobicContact CZ3-CB 3.76Å; R376-R378 HydrophobicContact CG-CG 4.14Å; R376-S390 WeakPolarHBondContact O-CA 3.48Å; R376-Q391 PolarHBondContact N-O 3.44Å; R376-Q391 PolarHBondContact O-N 2.88Å |
| 377 | T | 91.7 | Very high | 87.8 | Confident | 91 Ų | 91 | 45 Ų | 45 | 56% | 0.558 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 122.8 | 171.4 | -62.2 | 0 | 0 | 0 | 0 | 109.3 | D389 S390 | T377-D389 CarbonylContact C-O 3.46Å; T377-D389 WeakPolarHBondContact CA-O 3.38Å; T377-S390 PolarHBondContact OG1-OG 3.36Å |
| 378 | R | 87.3 | Confident | 87.5 | Confident | 87 Ų | 87 | 45.2 Ų | 45.2 | 33% | 0.328 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 141.6 | 175.1 | -62.1 | -179.4 | -67.6 | -178.9 | -0.3 | 109.1 | R376 W387 G388 D389 | R376-R378 HydrophobicContact CG-CG 4.14Å; R378-W387 HydrophobicContact CB-CH2 4Å; R378-W387 HydrophobicContact CB-CZ3 3.79Å; R378-G388 CarbonylContact O-C 3.59Å; R378-G388 WeakPolarHBondContact O-CA 3.48Å; R378-D389 IonicContact CZ-OD1 3.74Å; R378-D389 IonicContact CZ-OD2 3.56Å; R378-D389 PolarHBondContact N-O 3.01Å; R378-D389 IonicContact NE-OD1 3.64Å; R378-D389 IonicContact NE-OD2 3.07Å; R378-D389 PolarHBondContact NE-OD2 3.15Å; R378-D389 VanDerWaalsContact NH2-CG 3.29Å; R378-D389 IonicContact NH2-OD1 2.76Å; R378-D389 PolarHBondContact NH2-OD1 2.94Å; R378-D389 IonicContact NH2-OD2 3.53Å; R378-D389 PolarHBondContact NH2-OD2 3.03Å; R378-D389 PolarHBondContact O-N 3.43Å |
| 379 | S | 81.8 | Confident | 87.3 | Confident | 67 Ų | 67 | 42 Ų | 42 | 47% | 0.469 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 135.7 | -170.7 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | P385 | S379-P385 WeakPolarHBondContact OG-CB 3.45Å; S379-P385 WeakPolarHBondContact OG-CG 3.48Å |
| 380 | R | 74.4 | Confident | 87.2 | Confident | 131 Ų | 131 | 43.6 Ų | 43.6 | 49% | 0.494 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 148.7 | 174.7 | -75.6 | -174.2 | -82 | -167.7 | -6.8 | 111.2 | P385 A386 W387 | R380-P385 CarbonylContact O-C 3.52Å; R380-P385 WeakPolarHBondContact O-CA 3.44Å; R380-A386 PolarHBondContact O-N 3.25Å; R380-W387 HydrophobicContact CB-CB 4.47Å; R380-W387 HydrophobicContact CB-CE3 4.09Å; R380-W387 HydrophobicContact CG-CE3 4.12Å; R380-W387 HydrophobicContact CG-CZ3 4.48Å; R380-W387 PolarHBondContact N-O 2.8Å; R380-W387 VanDerWaalsContact NE-CE3 3.31Å; R380-W387 PolarHBondContact O-N 3.3Å |
| 381 | G | 66.8 | Low | 87.2 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 98.3 | -12.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1674 A1677 | G381-S1674 PolarHBondContact O-N 2.87Å; G381-A1677 WeakPolarHBondContact O-CB 3.23Å |
| 382 | G | 66.1 | Low | 87.2 | Confident | 26 Ų | 26 | 46.9 Ų | 46.9 | 27% | 0.268 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | 120.4 | -134.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P385 S1674 | G382-P385 WeakPolarHBondContact O-CG 2.89Å; G382-S1674 WeakPolarHBondContact CA-O 3.29Å |
| 383 | L | 65.4 | Low | 87.2 | Confident | 88 Ų | 88 | 47.4 Ų | 47.4 | 46% | 0.461 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -92.8 | -14.4 | -162.9 | -90.3 | 164.8 | 0 | 0 | 0 | 115.4 | P385 P532 S1674 D1675 P1676 | L383-P385 VanDerWaalsContact C-CD 3.5Å; L383-P532 WeakPolarHBondContact O-CD 3.12Å; L383-S1674 PolarHBondContact N-O 3.27Å; L383-D1675 HydrophobicContact CB-CB 3.98Å; L383-D1675 VanDerWaalsContact CB-OD1 3.27Å; L383-D1675 WeakPolarHBondContact CB-OD1 3.3Å; L383-D1675 WeakPolarHBondContact CB-OD2 3.12Å; L383-D1675 HydrophobicContact CD1-CB 4.24Å; L383-D1675 WeakPolarHBondContact CD1-OD2 3.23Å; L383-P1676 PolarHBondContact N-O 2.82Å |
| 384 | M | 80.4 | Confident | 87.3 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -120.7 | 61.2 | 160.5 | -172.4 | -121 | -111.9 | 0 | 0 | 110.8 | R426 W497 R525 E527 P532 P1676 A1677 | M384-R426 PolarHBondContact O-NE 2.92Å; M384-R426 VanDerWaalsContact O-NE 3.13Å; M384-R426 PolarHBondContact O-NH2 2.91Å; M384-R426 PolarHBondContact SD-NE 2.92Å; M384-R426 PolarHBondContact SD-NH1 2.83Å; M384-W497 HydrophobicContact CE-CG 4.31Å; M384-R525 HydrophobicContact CE-CB 3.53Å; M384-R525 HydrophobicContact CE-CG 3.78Å; M384-E527 HydrophobicContact CB-CG 4.42Å; M384-P532 HydrophobicContact CB-CB 3.84Å; M384-P532 HydrophobicContact CB-CG 3.71Å; M384-P532 HydrophobicContact CE-CB 4.43Å; M384-P532 HydrophobicContact CG-CB 3.63Å; M384-P532 HydrophobicContact CG-CG 3.68Å; M384-P1676 VanDerWaalsContact CB-C 3.5Å; M384-P1676 VanDerWaalsContact CB-CA 3.43Å; M384-P1676 HydrophobicContact CB-CB 3.5Å; M384-P1676 HydrophobicContact CE-CB 3.7Å; M384-P1676 HydrophobicContact CG-CB 3.97Å; M384-P1676 VanDerWaalsContact N-C 3.31Å; M384-P1676 PolarHBondContact N-O 3.21Å; M384-P1676 HydrophobicContact SD-CB 3.45Å; M384-P1676 WeakPolarHBondContact SD-CB 3.4Å; M384-A1677 VanDerWaalsContact O-CB 3.24Å; M384-A1677 WeakPolarHBondContact O-CB 3.44Å; M384-A1677 PolarHBondContact O-N 2.75Å |
| 385 | P | 81.2 | Confident | 87.3 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 16% | 0.156 | 25% | 0.25 | C | C | . | . | trans | -36.3 | 134.4 | -159 | -32.1 | 33.9 | 0 | 0 | 0 | 117.3 | S379 R380 G382 L383 I418 R426 A1677 | S379-P385 WeakPolarHBondContact OG-CB 3.45Å; S379-P385 WeakPolarHBondContact OG-CG 3.48Å; R380-P385 CarbonylContact O-C 3.52Å; R380-P385 WeakPolarHBondContact O-CA 3.44Å; G382-P385 WeakPolarHBondContact O-CG 2.89Å; L383-P385 VanDerWaalsContact C-CD 3.5Å; P385-I418 HydrophobicContact CB-CD1 4.38Å; P385-I418 WeakPolarHBondContact O-CG2 3.33Å; P385-R426 VanDerWaalsContact O-CZ 3.28Å; P385-R426 PolarHBondContact O-NE 3.26Å; P385-R426 PolarHBondContact O-NH2 3.02Å; P385-A1677 VanDerWaalsContact C-CB 3.49Å; P385-A1677 VanDerWaalsContact CA-CB 3.47Å | ||
| 386 | A | 80.6 | Confident | 87.3 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -81.7 | -29.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R380 T420 A1677 | R380-A386 PolarHBondContact O-N 3.25Å; A386-T420 PolarHBondContact O-N 3.4Å; A386-T420 PolarHBondContact O-OG1 2.89Å; A386-A1677 HydrophobicContact CB-CB 3.89Å |
| 387 | W | 91.4 | Very high | 87.3 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 25% | 0.254 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 136.5 | 169.2 | 177.3 | 104.3 | 0 | 0 | 0 | 108.3 | R378 R380 I418 R419 | R378-W387 HydrophobicContact CB-CH2 4Å; R378-W387 HydrophobicContact CB-CZ3 3.79Å; R380-W387 HydrophobicContact CB-CB 4.47Å; R380-W387 HydrophobicContact CB-CE3 4.09Å; R380-W387 HydrophobicContact CG-CE3 4.12Å; R380-W387 HydrophobicContact CG-CZ3 4.48Å; R380-W387 PolarHBondContact N-O 2.8Å; R380-W387 VanDerWaalsContact NE-CE3 3.31Å; R380-W387 PolarHBondContact O-N 3.3Å; W387-I418 WeakPolarHBondContact CA-O 3.22Å; W387-R419 VanDerWaalsContact NE1-CZ 3.33Å |
| 388 | G | 90.9 | Very high | 87.6 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.8 | 154.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R378 I418 R419 | R378-G388 CarbonylContact O-C 3.59Å; R378-G388 WeakPolarHBondContact O-CA 3.48Å; G388-I418 PolarHBondContact N-O 2.9Å; G388-I418 PolarHBondContact O-N 3.04Å; G388-R419 VanDerWaalsContact C-NH1 3.31Å; G388-R419 PolarHBondContact O-NH1 3.43Å |
| 389 | D | 93.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.011 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 135.7 | 167.2 | 50.1 | -89.4 | 0 | 0 | 0 | 110.3 | T377 R378 Q391 V416 W417 R419 | T377-D389 CarbonylContact C-O 3.46Å; T377-D389 WeakPolarHBondContact CA-O 3.38Å; R378-D389 IonicContact CZ-OD1 3.74Å; R378-D389 IonicContact CZ-OD2 3.56Å; R378-D389 PolarHBondContact N-O 3.01Å; R378-D389 IonicContact NE-OD1 3.64Å; R378-D389 IonicContact NE-OD2 3.07Å; R378-D389 PolarHBondContact NE-OD2 3.15Å; R378-D389 VanDerWaalsContact NH2-CG 3.29Å; R378-D389 IonicContact NH2-OD1 2.76Å; R378-D389 PolarHBondContact NH2-OD1 2.94Å; R378-D389 IonicContact NH2-OD2 3.53Å; R378-D389 PolarHBondContact NH2-OD2 3.03Å; R378-D389 PolarHBondContact O-N 3.43Å; D389-Q391 PolarHBondContact OD2-NE2 3.45Å; D389-V416 CarbonylContact C-O 3.56Å; D389-V416 VanDerWaalsContact CA-O 3.32Å; D389-V416 WeakPolarHBondContact CA-O 3Å; D389-W417 HydrophobicContact CB-CD2 4.07Å; D389-W417 HydrophobicContact CB-CE3 3.7Å; D389-W417 HydrophobicContact CB-CH2 4.24Å; D389-W417 HydrophobicContact CB-CZ3 3.79Å; D389-R419 IonicContact OD1-NH2 3.26Å; D389-R419 PolarHBondContact OD1-NH2 2.78Å; D389-R419 VanDerWaalsContact OD1-NH2 3.12Å |
| 390 | S | 96.4 | Very high | 88.5 | Confident | 44 Ų | 44 | 45.1 Ų | 45.1 | 31% | 0.308 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.7 | 172.6 | -171.3 | 0 | 0 | 0 | 0 | 107.8 | R376 T377 N415 V416 | R376-S390 WeakPolarHBondContact O-CA 3.48Å; T377-S390 PolarHBondContact OG1-OG 3.36Å; S390-N415 WeakPolarHBondContact O-CA 3.44Å; S390-V416 PolarHBondContact N-O 3.22Å; S390-V416 PolarHBondContact O-N 3.31Å |
| 391 | Q | 97.6 | Very high | 89.3 | Confident | 25 Ų | 25 | 43.2 Ų | 43.2 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 133.1 | -174.3 | -51.1 | -176.1 | 40.4 | 0 | 0 | 108.2 | S375 R376 D389 Y393 W417 | S375-Q391 CarbonylContact C-O 3.46Å; S375-Q391 WeakPolarHBondContact CA-O 3.38Å; S375-Q391 WeakPolarHBondContact CB-O 3.49Å; R376-Q391 PolarHBondContact N-O 3.44Å; R376-Q391 PolarHBondContact O-N 2.88Å; D389-Q391 PolarHBondContact OD2-NE2 3.45Å; Q391-Y393 HydrophobicContact CB-CE2 3.91Å; Q391-Y393 PolarHBondContact OE1-OH 2.59Å; Q391-W417 HydrophobicContact CG-CZ2 4.47Å |
| 392 | R | 98.1 | Very high | 90.5 | Very high | 96 Ų | 96 | 47.3 Ų | 47.3 | 36% | 0.362 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 127.5 | 177.4 | 167.3 | 166.6 | -72.9 | -106.5 | -11.6 | 109.9 | M373 I374 S375 A413 Q414 | M373-R392 VanDerWaalsContact SD-CZ 3.6Å; M373-R392 PolarHBondContact SD-NH2 2.97Å; I374-R392 WeakPolarHBondContact O-CA 3.44Å; S375-R392 PolarHBondContact OG-NH2 3.42Å; R392-A413 CarbonylContact O-C 3.42Å; R392-A413 WeakPolarHBondContact O-CA 3.42Å; R392-Q414 HydrophobicContact CB-CB 4.3Å; R392-Q414 PolarHBondContact N-O 3.37Å; R392-Q414 PolarHBondContact O-N 3.03Å |
| 393 | Y | 98.3 | Very high | 91.6 | Very high | 75 Ų | 75 | 48 Ų | 48 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134 | 177.5 | -51.5 | -78.6 | 0 | 0 | 0 | 107.9 | M373 I374 Q391 Q412 A413 N415 | M373-Y393 WeakPolarHBondContact CA-O 3.31Å; I374-Y393 PolarHBondContact N-O 3.01Å; I374-Y393 PolarHBondContact O-N 3.48Å; Q391-Y393 HydrophobicContact CB-CE2 3.91Å; Q391-Y393 PolarHBondContact OE1-OH 2.59Å; Y393-Q412 WeakPolarHBondContact CA-O 3.5Å; Y393-A413 HydrophobicContact CD1-CB 3.68Å; Y393-A413 HydrophobicContact CE1-CB 3.96Å; Y393-N415 PolarHBondContact OH-ND2 3.26Å; Y393-N415 VanDerWaalsContact OH-ND2 3.09Å; Y393-N415 PolarHBondContact OH-OD1 2.74Å |
| 394 | S | 98.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 44 Ų | 44 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 151 | 173.7 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | V372 Q412 | V372-S394 CarbonylContact O-C 3.52Å; V372-S394 WeakPolarHBondContact O-CA 3.46Å; V372-S394 WeakPolarHBondContact O-CB 3.48Å; S394-Q412 PolarHBondContact N-O 2.86Å; S394-Q412 PolarHBondContact O-N 3.44Å |
| 395 | I | 98.3 | Very high | 93.8 | Very high | 89 Ų | 89 | 47.4 Ų | 47.4 | 46% | 0.456 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 127.3 | 170.6 | -174.8 | 170 | 0 | 0 | 0 | 108.7 | G371 V372 V410 | G371-I395 CarbonylContact C-O 3.57Å; G371-I395 WeakPolarHBondContact CA-O 3.18Å; V372-I395 HydrophobicContact CB-CG2 4.12Å; V372-I395 PolarHBondContact N-O 2.85Å; V372-I395 PolarHBondContact O-N 3.25Å; I395-V410 CarbonylContact C-O 3.58Å; I395-V410 VanDerWaalsContact CA-O 3.27Å; I395-V410 WeakPolarHBondContact CA-O 3.29Å |
| 396 | D | 97.9 | Very high | 94.5 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 9% | 0.086 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.5 | 178.1 | -67.4 | -77.4 | 0 | 0 | 0 | 108.3 | Y369 V410 | Y369-D396 HydrophobicContact CD2-CB 3.82Å; Y369-D396 HydrophobicContact CE2-CB 3.79Å; D396-V410 HydrophobicContact CB-CB 4.41Å; D396-V410 PolarHBondContact N-O 3.03Å; D396-V410 PolarHBondContact O-N 3.25Å |
| 397 | Y | 97.5 | Very high | 95.3 | Very high | 105 Ų | 105 | 49 Ų | 49 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 117.7 | -173.7 | 177 | -117 | 0 | 0 | 0 | 111 | Y369 P370 N399 W402 F408 S409 | Y369-Y397 VanDerWaalsContact CB-O 3.24Å; Y369-Y397 WeakPolarHBondContact CB-O 3.27Å; P370-Y397 VanDerWaalsContact CD-O 3.27Å; P370-Y397 WeakPolarHBondContact CD-O 3.18Å; P370-Y397 PolarHBondContact O-N 2.87Å; Y397-N399 HydrophobicContact CE1-CB 4.42Å; Y397-N399 PolarHBondContact OH-ND2 3.4Å; Y397-W402 AromaticContact CD1-CH2 3.61Å; Y397-W402 HydrophobicContact CD1-CH2 3.61Å; Y397-W402 AromaticContact CD1-CZ2 3.99Å; Y397-W402 HydrophobicContact CD1-CZ2 3.99Å; Y397-W402 AromaticContact CE1-CH2 3.53Å; Y397-W402 HydrophobicContact CE1-CH2 3.53Å; Y397-W402 HydrophobicContact CE1-CZ2 4.12Å; Y397-W402 HydrophobicContact CE1-CZ3 4.44Å; Y397-W402 WeakPolarHBondContact O-CZ2 3.26Å; Y397-F408 WeakPolarHBondContact CD2-O 3.47Å; Y397-S409 WeakPolarHBondContact CD2-OG 3.16Å |
| 398 | S | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.4 | -177.7 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | S404 V406 F408 | S398-S404 VanDerWaalsContact OG-CB 3.28Å; S398-S404 WeakPolarHBondContact OG-CB 3.45Å; S398-S404 PolarHBondContact OG-OG 2.63Å; S398-V406 WeakPolarHBondContact CB-O 3.16Å; S398-V406 PolarHBondContact OG-O 2.87Å; S398-F408 VanDerWaalsContact CB-CE1 3.43Å; S398-F408 VanDerWaalsContact CB-CE2 3.44Å; S398-F408 PolarHBondContact N-O 3.21Å; S398-F408 PolarHBondContact O-N 3.16Å |
| 399 | N | 95.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 48 Ų | 48 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | trans | -141.7 | 139.5 | 177.4 | -162.2 | -87.9 | 0 | 0 | 0 | 112.2 | Y397 A401 W402 S404 D407 | Y397-N399 HydrophobicContact CE1-CB 4.42Å; Y397-N399 PolarHBondContact OH-ND2 3.4Å; N399-A401 PolarHBondContact O-N 3.24Å; N399-A401 WeakPolarHBondContact OD1-CB 3.2Å; N399-A401 PolarHBondContact OD1-N 3.14Å; N399-W402 HydrophobicContact CB-CD2 4.06Å; N399-W402 HydrophobicContact CB-CE3 4.3Å; N399-W402 HydrophobicContact CB-CH2 3.95Å; N399-W402 HydrophobicContact CB-CZ2 3.64Å; N399-W402 HydrophobicContact CB-CZ3 4.26Å; N399-W402 PolarHBondContact O-N 3.44Å; N399-W402 PolarHBondContact O-NE1 3.02Å; N399-S404 WeakPolarHBondContact O-CB 3.48Å; N399-D407 VanDerWaalsContact CA-OD1 3.28Å; N399-D407 WeakPolarHBondContact CA-OD1 3.48Å; N399-D407 PolarHBondContact ND2-OD1 3.28Å | ||
| 400 | T | 94 | Very high | 96.1 | Very high | 68 Ų | 68 | 48 Ų | 48 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -65.4 | -25.4 | 178.9 | 52 | 0 | 0 | 0 | 0 | 113 | W402 G403 S404 D407 | T400-W402 PolarHBondContact O-N 3.03Å; T400-W402 VanDerWaalsContact O-N 3.14Å; T400-G403 PolarHBondContact O-N 3.05Å; T400-S404 WeakPolarHBondContact CA-O 3.41Å; T400-S404 WeakPolarHBondContact CG2-O 3.19Å; T400-D407 PolarHBondContact N-OD1 3.14Å; T400-D407 PolarHBondContact OG1-OD1 2.74Å; T400-D407 VanDerWaalsContact OG1-OD1 3.07Å; T400-D407 PolarHBondContact OG1-OD2 3.48Å |
| 401 | A | 90.9 | Very high | 96.1 | Very high | 90 Ų | 90 | 50.4 Ų | 50.4 | 74% | 0.744 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -65.1 | -15.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N399 | N399-A401 PolarHBondContact O-N 3.24Å; N399-A401 WeakPolarHBondContact OD1-CB 3.2Å; N399-A401 PolarHBondContact OD1-N 3.14Å |
| 402 | W | 91.2 | Very high | 96.2 | Very high | 105 Ų | 105 | 52.2 Ų | 52.2 | 40% | 0.398 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -113.8 | 23.9 | 170.9 | 55.6 | 59.6 | 0 | 0 | 0 | 113.5 | F368 P370 Y397 N399 T400 | F368-W402 HydrophobicContact CD1-CB 4.45Å; F368-W402 AromaticContact CD1-CD1 3.71Å; F368-W402 HydrophobicContact CD1-CG 4.28Å; F368-W402 VanDerWaalsContact O-CD1 3.3Å; F368-W402 PolarHBondContact O-NE1 3.29Å; P370-W402 HydrophobicContact CG-CH2 4.22Å; P370-W402 HydrophobicContact CG-CZ2 4.09Å; Y397-W402 AromaticContact CD1-CH2 3.61Å; Y397-W402 HydrophobicContact CD1-CH2 3.61Å; Y397-W402 AromaticContact CD1-CZ2 3.99Å; Y397-W402 HydrophobicContact CD1-CZ2 3.99Å; Y397-W402 AromaticContact CE1-CH2 3.53Å; Y397-W402 HydrophobicContact CE1-CH2 3.53Å; Y397-W402 HydrophobicContact CE1-CZ2 4.12Å; Y397-W402 HydrophobicContact CE1-CZ3 4.44Å; Y397-W402 WeakPolarHBondContact O-CZ2 3.26Å; N399-W402 HydrophobicContact CB-CD2 4.06Å; N399-W402 HydrophobicContact CB-CE3 4.3Å; N399-W402 HydrophobicContact CB-CH2 3.95Å; N399-W402 HydrophobicContact CB-CZ2 3.64Å; N399-W402 HydrophobicContact CB-CZ3 4.26Å; N399-W402 PolarHBondContact O-N 3.44Å; N399-W402 PolarHBondContact O-NE1 3.02Å; T400-W402 PolarHBondContact O-N 3.03Å; T400-W402 VanDerWaalsContact O-N 3.14Å |
| 403 | G | 90 | Very high | 96.2 | Very high | 41 Ų | 41 | 48 Ų | 48 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 16 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | M366 T400 | M366-G403 WeakPolarHBondContact CE-O 3.1Å; T400-G403 PolarHBondContact O-N 3.05Å |
| 404 | S | 96.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 3% | 0.028 | 27% | 0.265 | C | S | . | . | trans | -77.2 | 142.7 | 165.7 | -156.7 | 0 | 0 | 0 | 0 | 110.1 | L367 F368 S398 N399 T400 V406 | L367-S404 WeakPolarHBondContact CA-OG 3.35Å; F368-S404 PolarHBondContact N-OG 2.84Å; F368-S404 WeakPolarHBondContact O-CB 3.12Å; F368-S404 PolarHBondContact O-OG 2.79Å; S398-S404 VanDerWaalsContact OG-CB 3.28Å; S398-S404 WeakPolarHBondContact OG-CB 3.45Å; S398-S404 PolarHBondContact OG-OG 2.63Å; N399-S404 WeakPolarHBondContact O-CB 3.48Å; T400-S404 WeakPolarHBondContact CA-O 3.41Å; T400-S404 WeakPolarHBondContact CG2-O 3.19Å; S404-V406 PolarHBondContact O-N 2.88Å | ||
| 405 | D | 96.7 | Very high | 96.1 | Very high | 76 Ų | 76 | 49.1 Ų | 49.1 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -73 | -12.9 | -179.5 | -76.6 | -27.5 | 0 | 0 | 0 | 114 | T365 M366 | T365-D405 HydrophobicContact CG2-CB 3.83Å; M366-D405 PolarHBondContact N-OD2 3.26Å; M366-D405 WeakPolarHBondContact O-CB 3.25Å; M366-D405 PolarHBondContact O-N 2.96Å |
| 406 | V | 95.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -140.7 | 128.6 | -173.4 | -170.6 | 0 | 0 | 0 | 0 | 112.2 | T365 L367 S398 S404 F408 D440 K443 V444 | T365-V406 HydrophobicContact CG2-CG2 3.8Å; L367-V406 HydrophobicContact CD2-CB 4.04Å; L367-V406 HydrophobicContact CD2-CG2 4.07Å; S398-V406 WeakPolarHBondContact CB-O 3.16Å; S398-V406 PolarHBondContact OG-O 2.87Å; S404-V406 PolarHBondContact O-N 2.88Å; V406-F408 HydrophobicContact CB-CD1 4.16Å; V406-F408 HydrophobicContact CG1-CD1 4.06Å; V406-D440 HydrophobicContact CG1-CB 4.42Å; V406-K443 HydrophobicContact CG2-CB 3.47Å; V406-K443 VanDerWaalsContact CG2-CB 3.47Å; V406-K443 HydrophobicContact CG2-CD 4.21Å; V406-V444 HydrophobicContact CG1-CG2 3.94Å |
| 407 | D | 96 | Very high | 96 | Very high | 69 Ų | 69 | 51 Ų | 51 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | trans | -75.4 | 120.4 | 166.6 | -66.6 | -50.2 | 0 | 0 | 0 | 110.5 | N399 T400 T438 | N399-D407 VanDerWaalsContact CA-OD1 3.28Å; N399-D407 WeakPolarHBondContact CA-OD1 3.48Å; N399-D407 PolarHBondContact ND2-OD1 3.28Å; T400-D407 PolarHBondContact N-OD1 3.14Å; T400-D407 PolarHBondContact OG1-OD1 2.74Å; T400-D407 VanDerWaalsContact OG1-OD1 3.07Å; T400-D407 PolarHBondContact OG1-OD2 3.48Å; D407-T438 WeakPolarHBondContact O-CB 3.42Å; D407-T438 PolarHBondContact O-OG1 2.99Å | ||
| 408 | F | 97.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 158.9 | 173 | 64.4 | -111.6 | 0 | 0 | 0 | 114.5 | L367 Y369 Y397 S398 V406 V410 E437 L448 | L367-F408 HydrophobicContact CD1-CE1 3.76Å; L367-F408 HydrophobicContact CD1-CZ 4.08Å; L367-F408 HydrophobicContact CD2-CE1 3.89Å; L367-F408 HydrophobicContact CG-CE1 4.41Å; Y369-F408 AromaticContact CD1-CZ 3.86Å; Y369-F408 HydrophobicContact CD1-CZ 3.86Å; Y369-F408 AromaticContact CE1-CZ 3.88Å; Y369-F408 HydrophobicContact CE1-CZ 3.88Å; Y369-F408 HydrophobicContact CG-CE2 4.48Å; Y369-F408 HydrophobicContact CG-CZ 4.26Å; Y397-F408 WeakPolarHBondContact CD2-O 3.47Å; S398-F408 VanDerWaalsContact CB-CE1 3.43Å; S398-F408 VanDerWaalsContact CB-CE2 3.44Å; S398-F408 PolarHBondContact N-O 3.21Å; S398-F408 PolarHBondContact O-N 3.16Å; V406-F408 HydrophobicContact CB-CD1 4.16Å; V406-F408 HydrophobicContact CG1-CD1 4.06Å; F408-V410 HydrophobicContact CD2-CG2 3.6Å; F408-V410 HydrophobicContact CE2-CG2 3.77Å; F408-V410 HydrophobicContact CG-CG2 4.48Å; F408-E437 CarbonylContact C-O 3.35Å; F408-E437 WeakPolarHBondContact CA-O 2.93Å; F408-L448 HydrophobicContact CE1-CD1 3.84Å; F408-L448 HydrophobicContact CE2-CD1 4.25Å; F408-L448 HydrophobicContact CZ-CD1 3.51Å |
| 409 | S | 97.2 | Very high | 95.6 | Very high | 48 Ų | 48 | 50 Ų | 50 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.3 | 160.7 | -54.2 | 0 | 0 | 0 | 0 | 109 | Y397 I436 E437 | Y397-S409 WeakPolarHBondContact CD2-OG 3.16Å; S409-I436 CarbonylContact O-C 3.35Å; S409-I436 WeakPolarHBondContact O-CA 3.26Å; S409-E437 PolarHBondContact N-O 2.91Å; S409-E437 PolarHBondContact O-N 2.88Å |
| 410 | V | 98 | Very high | 94.9 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.7 | 171.5 | -168.4 | 0 | 0 | 0 | 0 | 109.2 | I395 D396 F408 Q412 W435 I436 F450 | I395-V410 CarbonylContact C-O 3.58Å; I395-V410 VanDerWaalsContact CA-O 3.27Å; I395-V410 WeakPolarHBondContact CA-O 3.29Å; D396-V410 HydrophobicContact CB-CB 4.41Å; D396-V410 PolarHBondContact N-O 3.03Å; D396-V410 PolarHBondContact O-N 3.25Å; F408-V410 HydrophobicContact CD2-CG2 3.6Å; F408-V410 HydrophobicContact CE2-CG2 3.77Å; F408-V410 HydrophobicContact CG-CG2 4.48Å; V410-Q412 HydrophobicContact CG1-CG 4.1Å; V410-W435 CarbonylContact C-O 3.46Å; V410-W435 VanDerWaalsContact CA-O 3.29Å; V410-W435 WeakPolarHBondContact CA-O 3.25Å; V410-I436 HydrophobicContact CG1-CG1 4.08Å; V410-I436 HydrophobicContact CG2-CG1 4.14Å; V410-I436 HydrophobicContact CG2-CG2 4.49Å; V410-F450 HydrophobicContact CG1-CZ 4.07Å |
| 411 | F | 98 | Very high | 94.1 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.9 | 168.1 | 171.1 | -97.2 | 0 | 0 | 0 | 109.4 | A413 G434 W435 | F411-A413 HydrophobicContact CE1-CB 4.16Å; F411-A413 HydrophobicContact CZ-CB 4.08Å; F411-G434 CarbonylContact O-C 3.54Å; F411-G434 WeakPolarHBondContact O-CA 3.43Å; F411-W435 HydrophobicContact CB-CB 4.45Å; F411-W435 PolarHBondContact N-O 3.07Å; F411-W435 PolarHBondContact O-N 2.93Å |
| 412 | Q | 98.3 | Very high | 93.3 | Very high | 62 Ų | 62 | 53.6 Ų | 53.6 | 29% | 0.29 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 139.5 | 174.8 | -57.7 | -175.8 | -62.7 | 0 | 0 | 111.2 | Y393 S394 V410 L433 F450 | Y393-Q412 WeakPolarHBondContact CA-O 3.5Å; S394-Q412 PolarHBondContact N-O 2.86Å; S394-Q412 PolarHBondContact O-N 3.44Å; V410-Q412 HydrophobicContact CG1-CG 4.1Å; Q412-L433 WeakPolarHBondContact CA-O 3.37Å; Q412-F450 HydrophobicContact CG-CE1 4.36Å; Q412-F450 HydrophobicContact CG-CZ 4.5Å |
| 413 | A | 98.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | R392 Y393 F411 T432 L433 | R392-A413 CarbonylContact O-C 3.42Å; R392-A413 WeakPolarHBondContact O-CA 3.42Å; Y393-A413 HydrophobicContact CD1-CB 3.68Å; Y393-A413 HydrophobicContact CE1-CB 3.96Å; F411-A413 HydrophobicContact CE1-CB 4.16Å; F411-A413 HydrophobicContact CZ-CB 4.08Å; A413-T432 CarbonylContact O-C 3.59Å; A413-T432 WeakPolarHBondContact O-CA 3.42Å; A413-L433 HydrophobicContact CB-CB 4.27Å; A413-L433 PolarHBondContact N-O 2.83Å; A413-L433 PolarHBondContact O-N 3.48Å |
| 414 | Q | 97.7 | Very high | 92 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 40% | 0.397 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.1 | 178.9 | -72.6 | 176.2 | -4.3 | 0 | 0 | 108.9 | R392 T432 | R392-Q414 HydrophobicContact CB-CB 4.3Å; R392-Q414 PolarHBondContact N-O 3.37Å; R392-Q414 PolarHBondContact O-N 3.03Å; Q414-T432 HydrophobicContact CG-CG2 4.05Å |
| 415 | N | 97.8 | Very high | 91.6 | Very high | 30 Ų | 30 | 54.7 Ų | 54.7 | 16% | 0.16 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.9 | -177.8 | -91.3 | -87.1 | 0 | 0 | 0 | 109.9 | S390 Y393 W417 R430 G431 | S390-N415 WeakPolarHBondContact O-CA 3.44Å; Y393-N415 PolarHBondContact OH-ND2 3.26Å; Y393-N415 VanDerWaalsContact OH-ND2 3.09Å; Y393-N415 PolarHBondContact OH-OD1 2.74Å; N415-W417 PolarHBondContact OD1-NE1 3.04Å; N415-R430 CarbonylContact O-C 3.59Å; N415-R430 WeakPolarHBondContact O-CA 3.43Å; N415-G431 PolarHBondContact N-O 3.09Å; N415-G431 PolarHBondContact O-N 2.85Å |
| 416 | V | 97.5 | Very high | 91.3 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 32% | 0.315 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.8 | 170.5 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | D389 S390 I418 T429 R430 | D389-V416 CarbonylContact C-O 3.56Å; D389-V416 VanDerWaalsContact CA-O 3.32Å; D389-V416 WeakPolarHBondContact CA-O 3Å; S390-V416 PolarHBondContact N-O 3.22Å; S390-V416 PolarHBondContact O-N 3.31Å; V416-I418 HydrophobicContact CG1-CG1 4.35Å; V416-T429 WeakPolarHBondContact CA-O 3.36Å; V416-R430 HydrophobicContact CG1-CG 4.44Å; V416-R430 HydrophobicContact CG2-CG 4.36Å |
| 417 | W | 96.1 | Very high | 91.3 | Very high | 93 Ų | 93 | 54.7 Ų | 54.7 | 35% | 0.352 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.9 | 178.1 | -63.2 | 81.7 | 0 | 0 | 0 | 108.9 | D389 Q391 N415 V428 T429 | D389-W417 HydrophobicContact CB-CD2 4.07Å; D389-W417 HydrophobicContact CB-CE3 3.7Å; D389-W417 HydrophobicContact CB-CH2 4.24Å; D389-W417 HydrophobicContact CB-CZ3 3.79Å; Q391-W417 HydrophobicContact CG-CZ2 4.47Å; N415-W417 PolarHBondContact OD1-NE1 3.04Å; W417-V428 WeakPolarHBondContact O-CA 3.49Å; W417-T429 PolarHBondContact N-O 2.91Å; W417-T429 PolarHBondContact O-N 2.73Å |
| 418 | I | 93.3 | Very high | 91.2 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 123.9 | 176.2 | -52.1 | 166.1 | 0 | 0 | 0 | 108.4 | P385 W387 G388 V416 R426 F427 V428 | P385-I418 HydrophobicContact CB-CD1 4.38Å; P385-I418 WeakPolarHBondContact O-CG2 3.33Å; W387-I418 WeakPolarHBondContact CA-O 3.22Å; G388-I418 PolarHBondContact N-O 2.9Å; G388-I418 PolarHBondContact O-N 3.04Å; V416-I418 HydrophobicContact CG1-CG1 4.35Å; I418-R426 HydrophobicContact CG2-CG 4.33Å; I418-F427 WeakPolarHBondContact CA-O 3.32Å; I418-V428 HydrophobicContact CG1-CG1 4.39Å; I418-V428 HydrophobicContact CG1-CG2 4.39Å; I418-V428 HydrophobicContact CG2-CG2 4.29Å |
| 419 | R | 92.4 | Very high | 91.1 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 119 | 179 | -62.5 | -66.8 | 179.5 | -95.5 | 10.3 | 109.4 | W387 G388 D389 L421 F427 | W387-R419 VanDerWaalsContact NE1-CZ 3.33Å; G388-R419 VanDerWaalsContact C-NH1 3.31Å; G388-R419 PolarHBondContact O-NH1 3.43Å; D389-R419 IonicContact OD1-NH2 3.26Å; D389-R419 PolarHBondContact OD1-NH2 2.78Å; D389-R419 VanDerWaalsContact OD1-NH2 3.12Å; R419-L421 HydrophobicContact CB-CD2 4.07Å; R419-L421 HydrophobicContact CB-CG 4.34Å; R419-F427 PolarHBondContact N-O 2.92Å; R419-F427 WeakPolarHBondContact O-CB 3.47Å; R419-F427 PolarHBondContact O-N 3.16Å |
| 420 | T | 81.9 | Confident | 91.1 | Very high | 36 Ų | 36 | 54.5 Ų | 54.5 | 22% | 0.221 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 106.8 | 164.1 | -53.7 | 0 | 0 | 0 | 0 | 106.7 | A386 Y422 H425 | A386-T420 PolarHBondContact O-N 3.4Å; A386-T420 PolarHBondContact O-OG1 2.89Å; T420-Y422 VanDerWaalsContact CG2-O 3.29Å; T420-Y422 WeakPolarHBondContact CG2-O 3.39Å; T420-H425 WeakPolarHBondContact CA-O 3.41Å |
| 421 | L | 76.8 | Confident | 91.1 | Very high | 111 Ų | 111 | 55.7 Ų | 55.7 | 58% | 0.581 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -24.2 | -173.8 | -64.6 | 177.6 | 0 | 0 | 0 | 112.5 | R419 H425 F427 | R419-L421 HydrophobicContact CB-CD2 4.07Å; R419-L421 HydrophobicContact CB-CG 4.34Å; L421-H425 PolarHBondContact N-O 2.85Å; L421-F427 HydrophobicContact CB-CD2 4.27Å; L421-F427 HydrophobicContact CB-CE2 4.08Å; L421-F427 HydrophobicContact CD1-CD2 3.92Å; L421-F427 HydrophobicContact CD1-CE2 4.02Å; L421-F427 HydrophobicContact CG-CD2 3.98Å; L421-F427 HydrophobicContact CG-CE2 4.22Å |
| 422 | Y | 73.3 | Confident | 91.1 | Very high | 121 Ų | 121 | 52.8 Ų | 52.8 | 48% | 0.475 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 159.2 | 175.1 | -52.9 | -81.7 | 0 | 0 | 0 | 108.3 | T420 R424 H425 W582 | T420-Y422 VanDerWaalsContact CG2-O 3.29Å; T420-Y422 WeakPolarHBondContact CG2-O 3.39Å; Y422-R424 PolarHBondContact O-N 2.83Å; Y422-H425 PolarHBondContact O-N 2.93Å; Y422-W582 HydrophobicContact CD1-CE3 4.37Å; Y422-W582 AromaticContact CE1-CE3 3.94Å; Y422-W582 HydrophobicContact CE1-CE3 3.94Å; Y422-W582 HydrophobicContact CE1-CZ3 4.43Å |
| 423 | D | 71.5 | Confident | 91.1 | Very high | 64 Ų | 64 | 53.8 Ų | 53.8 | 34% | 0.342 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 139.7 | 176.4 | -91.7 | 13.8 | 0 | 0 | 0 | 111.7 | H425 S1679 | D423-H425 PolarHBondContact O-CD2 2.79Å; D423-H425 PolarHBondContact O-N 2.92Å; D423-S1679 WeakPolarHBondContact OD1-CB 2.91Å; D423-S1679 PolarHBondContact OD1-OG 2.85Å; D423-S1679 PolarHBondContact OD2-OG 2.81Å |
| 424 | R | 82.2 | Confident | 91.1 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 19% | 0.192 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | -8.6 | -169.4 | -49.9 | -176.8 | 177.8 | 117.4 | -0.8 | 116.2 | Y422 Y490 N491 W497 L1693 E1694 | Y422-R424 PolarHBondContact O-N 2.83Å; R424-Y490 HydrophobicContact CB-CD2 3.99Å; R424-Y490 HydrophobicContact CB-CE2 3.66Å; R424-Y490 WeakPolarHBondContact CD-OH 3.13Å; R424-Y490 HydrophobicContact CG-CE2 4.5Å; R424-Y490 CarbonylContact O-C 3.5Å; R424-Y490 VanDerWaalsContact O-CA 3.27Å; R424-Y490 WeakPolarHBondContact O-CA 3.4Å; R424-N491 HydrophobicContact CB-CB 3.8Å; R424-N491 WeakPolarHBondContact CD-O 3.37Å; R424-N491 HydrophobicContact CG-CB 4Å; R424-N491 PolarHBondContact O-N 3.43Å; R424-W497 WeakPolarHBondContact O-CZ3 3.49Å; R424-L1693 VanDerWaalsContact NH2-C 3.33Å; R424-L1693 PolarHBondContact NH2-O 2.81Å; R424-E1694 VanDerWaalsContact NH2-C 3.26Å; R424-E1694 PolarHBondContact NH2-O 3.34Å |
| 425 | H | 88.3 | Confident | 91.1 | Very high | 58 Ų | 58 | 54.6 Ų | 54.6 | 27% | 0.269 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 92.6 | -174.2 | -61.6 | -80.4 | 0 | 0 | 0 | 112.7 | T420 L421 Y422 D423 F427 Y488 Y490 | T420-H425 WeakPolarHBondContact CA-O 3.41Å; L421-H425 PolarHBondContact N-O 2.85Å; Y422-H425 PolarHBondContact O-N 2.93Å; D423-H425 PolarHBondContact O-CD2 2.79Å; D423-H425 PolarHBondContact O-N 2.92Å; H425-F427 HydrophobicContact CB-CE2 4.1Å; H425-F427 HydrophobicContact CB-CZ 4.5Å; H425-Y488 HydrophobicContact CB-CE2 4.1Å; H425-Y488 PolarHBondContact CE1-OH 3.32Å; H425-Y488 VanDerWaalsContact CE1-OH 3.28Å; H425-Y488 AromaticContact ND1-CE2 3.54Å; H425-Y488 AromaticContact ND1-CZ 3.57Å; H425-Y488 PolarHBondContact ND1-OH 2.74Å; H425-Y490 AromaticContact CE1-CD2 3.54Å; H425-Y490 AromaticContact CE1-CE2 3.57Å; H425-Y490 AromaticContact ND1-CD2 3.65Å; H425-Y490 AromaticContact NE2-CE2 3.86Å |
| 426 | R | 90.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 116.8 | -174.5 | -179.6 | 176.3 | -179.8 | -71.8 | -1.1 | 111.7 | M384 P385 I418 Q489 W497 | M384-R426 PolarHBondContact O-NE 2.92Å; M384-R426 VanDerWaalsContact O-NE 3.13Å; M384-R426 PolarHBondContact O-NH2 2.91Å; M384-R426 PolarHBondContact SD-NE 2.92Å; M384-R426 PolarHBondContact SD-NH1 2.83Å; P385-R426 VanDerWaalsContact O-CZ 3.28Å; P385-R426 PolarHBondContact O-NE 3.26Å; P385-R426 PolarHBondContact O-NH2 3.02Å; I418-R426 HydrophobicContact CG2-CG 4.33Å; R426-Q489 HydrophobicContact CB-CB 4.28Å; R426-Q489 PolarHBondContact N-O 2.73Å; R426-Q489 VanDerWaalsContact NH1-CD 3.34Å; R426-Q489 WeakPolarHBondContact O-CB 3.5Å; R426-Q489 PolarHBondContact O-N 3.32Å; R426-W497 HydrophobicContact CB-CE3 4.08Å; R426-W497 HydrophobicContact CB-CH2 3.89Å; R426-W497 HydrophobicContact CB-CZ3 3.37Å; R426-W497 HydrophobicContact CG-CZ3 4.44Å |
| 427 | F | 94.6 | Very high | 91 | Very high | 69 Ų | 69 | 55.3 Ų | 55.3 | 30% | 0.303 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 133.5 | -179.3 | -58.6 | -90.2 | 0 | 0 | 0 | 110.6 | I418 R419 L421 H425 Y488 | I418-F427 WeakPolarHBondContact CA-O 3.32Å; R419-F427 PolarHBondContact N-O 2.92Å; R419-F427 WeakPolarHBondContact O-CB 3.47Å; R419-F427 PolarHBondContact O-N 3.16Å; L421-F427 HydrophobicContact CB-CD2 4.27Å; L421-F427 HydrophobicContact CB-CE2 4.08Å; L421-F427 HydrophobicContact CD1-CD2 3.92Å; L421-F427 HydrophobicContact CD1-CE2 4.02Å; L421-F427 HydrophobicContact CG-CD2 3.98Å; L421-F427 HydrophobicContact CG-CE2 4.22Å; H425-F427 HydrophobicContact CB-CE2 4.1Å; H425-F427 HydrophobicContact CB-CZ 4.5Å; F427-Y488 AromaticContact CD1-CD2 3.96Å; F427-Y488 HydrophobicContact CD1-CD2 3.96Å; F427-Y488 HydrophobicContact CD1-CG 4.4Å; F427-Y488 AromaticContact CE1-CD2 3.47Å; F427-Y488 HydrophobicContact CE1-CD2 3.47Å; F427-Y488 VanDerWaalsContact CE1-CD2 3.47Å; F427-Y488 HydrophobicContact CE1-CE2 4.24Å; F427-Y488 AromaticContact CE1-CG 3.97Å; F427-Y488 HydrophobicContact CE1-CG 3.97Å; F427-Y488 HydrophobicContact CE2-CD2 4.47Å; F427-Y488 AromaticContact CZ-CD2 3.77Å; F427-Y488 HydrophobicContact CZ-CD2 3.77Å; F427-Y488 HydrophobicContact CZ-CE2 4.1Å |
| 428 | V | 94.5 | Very high | 90.9 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 115.1 | 173.5 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | W417 I418 R430 E487 | W417-V428 WeakPolarHBondContact O-CA 3.49Å; I418-V428 HydrophobicContact CG1-CG1 4.39Å; I418-V428 HydrophobicContact CG1-CG2 4.39Å; I418-V428 HydrophobicContact CG2-CG2 4.29Å; V428-R430 HydrophobicContact CG1-CG 4.4Å; V428-E487 HydrophobicContact CB-CB 4.26Å; V428-E487 PolarHBondContact N-O 2.99Å; V428-E487 PolarHBondContact O-N 2.66Å |
| 429 | T | 96.1 | Very high | 90.7 | Very high | 58 Ų | 58 | 55.3 Ų | 55.3 | 36% | 0.356 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 134.8 | 171.2 | -56.9 | 0 | 0 | 0 | 0 | 109.1 | V416 W417 S485 L486 | V416-T429 WeakPolarHBondContact CA-O 3.36Å; W417-T429 PolarHBondContact N-O 2.91Å; W417-T429 PolarHBondContact O-N 2.73Å; T429-S485 CarbonylContact C-O 3.45Å; T429-S485 VanDerWaalsContact CA-O 3.32Å; T429-S485 WeakPolarHBondContact CA-O 3.02Å; T429-L486 HydrophobicContact CG2-CD2 3.81Å; T429-L486 WeakPolarHBondContact OG1-CD2 3.44Å |
| 430 | R | 97.1 | Very high | 90.5 | Very high | 50 Ų | 50 | 55.5 Ų | 55.5 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.4 | 169 | -50.3 | 165.8 | 163.9 | 173.5 | -12.3 | 109.2 | N415 V416 V428 D455 G484 S485 | N415-R430 CarbonylContact O-C 3.59Å; N415-R430 WeakPolarHBondContact O-CA 3.43Å; V416-R430 HydrophobicContact CG1-CG 4.44Å; V416-R430 HydrophobicContact CG2-CG 4.36Å; V428-R430 HydrophobicContact CG1-CG 4.4Å; R430-D455 PolarHBondContact NH1-O 2.76Å; R430-G484 CarbonylContact O-C 3.53Å; R430-G484 WeakPolarHBondContact O-CA 3.45Å; R430-S485 PolarHBondContact N-O 2.88Å; R430-S485 PolarHBondContact O-N 3.17Å |
| 431 | G | 97.1 | Very high | 91 | Very high | 27 Ų | 27 | 55 Ų | 55 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 129.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | N415 T483 | N415-G431 PolarHBondContact N-O 3.09Å; N415-G431 PolarHBondContact O-N 2.85Å; G431-T483 CarbonylContact C-O 3.5Å; G431-T483 WeakPolarHBondContact CA-O 3.46Å |
| 432 | T | 98.2 | Very high | 91.7 | Very high | 34 Ų | 34 | 52 Ų | 52 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 131 | 171.2 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | A413 Q414 L481 I482 T483 | A413-T432 CarbonylContact O-C 3.59Å; A413-T432 WeakPolarHBondContact O-CA 3.42Å; Q414-T432 HydrophobicContact CG-CG2 4.05Å; T432-L481 HydrophobicContact CG2-CD2 3.99Å; T432-I482 WeakPolarHBondContact O-CA 3.35Å; T432-T483 WeakPolarHBondContact CB-OG1 3.27Å; T432-T483 PolarHBondContact N-O 2.77Å; T432-T483 PolarHBondContact O-N 3.48Å |
| 433 | L | 98 | Very high | 92.7 | Very high | 82 Ų | 82 | 50 Ų | 50 | 43% | 0.429 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.6 | 169.5 | -66 | 167.7 | 0 | 0 | 0 | 108.6 | Q412 A413 L481 I482 | Q412-L433 WeakPolarHBondContact CA-O 3.37Å; A413-L433 HydrophobicContact CB-CB 4.27Å; A413-L433 PolarHBondContact N-O 2.83Å; A413-L433 PolarHBondContact O-N 3.48Å; L433-L481 WeakPolarHBondContact CA-O 3.46Å; L433-I482 HydrophobicContact CD2-CB 3.88Å; L433-I482 HydrophobicContact CD2-CD1 3.74Å; L433-I482 HydrophobicContact CD2-CG1 3.63Å |
| 434 | G | 97.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 135.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | F411 F450 K480 L481 | F411-G434 CarbonylContact O-C 3.54Å; F411-G434 WeakPolarHBondContact O-CA 3.43Å; G434-F450 VanDerWaalsContact CA-CE2 3.5Å; G434-F450 VanDerWaalsContact CA-CZ 3.41Å; G434-F450 WeakPolarHBondContact O-CE2 3.24Å; G434-K480 WeakPolarHBondContact O-CA 3.35Å; G434-L481 PolarHBondContact N-O 3.08Å; G434-L481 PolarHBondContact O-N 2.85Å |
| 435 | W | 97.8 | Very high | 94.4 | Very high | 106 Ų | 106 | 44.6 Ų | 44.6 | 40% | 0.402 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 131.5 | 172.4 | -162.9 | -72.2 | 0 | 0 | 0 | 110 | V410 F411 E437 F450 S479 K480 I511 | V410-W435 CarbonylContact C-O 3.46Å; V410-W435 VanDerWaalsContact CA-O 3.29Å; V410-W435 WeakPolarHBondContact CA-O 3.25Å; F411-W435 HydrophobicContact CB-CB 4.45Å; F411-W435 PolarHBondContact N-O 3.07Å; F411-W435 PolarHBondContact O-N 2.93Å; W435-E437 PolarHBondContact NE1-OE2 3.28Å; W435-F450 VanDerWaalsContact N-CE2 3.29Å; W435-S479 CarbonylContact C-O 3.43Å; W435-K480 HydrophobicContact CD2-CD 4.48Å; W435-K480 HydrophobicContact CD2-CG 3.73Å; W435-K480 HydrophobicContact CE3-CG 3.65Å; W435-K480 HydrophobicContact CG-CG 4.35Å; W435-K480 HydrophobicContact CH2-CG 4.15Å; W435-K480 HydrophobicContact CZ2-CD 4.38Å; W435-K480 HydrophobicContact CZ2-CG 4.21Å; W435-K480 HydrophobicContact CZ3-CG 3.87Å; W435-I511 HydrophobicContact CH2-CG2 4.44Å; W435-I511 HydrophobicContact CZ3-CD1 4.3Å |
| 436 | I | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 120.9 | 170.9 | -57.3 | 160.1 | 0 | 0 | 0 | 106.6 | S409 V410 T438 F441 L448 F450 S479 K480 | S409-I436 CarbonylContact O-C 3.35Å; S409-I436 WeakPolarHBondContact O-CA 3.26Å; V410-I436 HydrophobicContact CG1-CG1 4.08Å; V410-I436 HydrophobicContact CG2-CG1 4.14Å; V410-I436 HydrophobicContact CG2-CG2 4.49Å; I436-T438 HydrophobicContact CG2-CG2 3.93Å; I436-F441 HydrophobicContact CD1-CE2 4.23Å; I436-L448 WeakPolarHBondContact CD1-O 3.06Å; I436-F450 HydrophobicContact CB-CE2 4.5Å; I436-F450 HydrophobicContact CD1-CD2 4.01Å; I436-F450 HydrophobicContact CD1-CE1 4.42Å; I436-F450 HydrophobicContact CD1-CE2 3.73Å; I436-F450 HydrophobicContact CD1-CG 4.48Å; I436-F450 HydrophobicContact CD1-CZ 3.95Å; I436-F450 HydrophobicContact CG1-CD2 4.3Å; I436-F450 HydrophobicContact CG1-CE2 3.54Å; I436-F450 HydrophobicContact CG1-CZ 3.67Å; I436-S479 PolarHBondContact N-O 3.44Å; I436-K480 PolarHBondContact O-NZ 3.18Å |
| 437 | E | 95.5 | Very high | 94.7 | Very high | 96 Ų | 96 | 44.9 Ų | 44.9 | 45% | 0.449 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.3 | 169.8 | -154.5 | 55.6 | -120.7 | 0 | 0 | 108.8 | F408 S409 W435 K480 | F408-E437 CarbonylContact C-O 3.35Å; F408-E437 WeakPolarHBondContact CA-O 2.93Å; S409-E437 PolarHBondContact N-O 2.91Å; S409-E437 PolarHBondContact O-N 2.88Å; W435-E437 PolarHBondContact NE1-OE2 3.28Å; E437-K480 IonicContact OE2-NZ 2.96Å |
| 438 | T | 94.9 | Very high | 94.6 | Very high | 32 Ų | 32 | 43 Ų | 43 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 150.9 | -175.1 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | D407 I436 D440 F441 V444 | D407-T438 WeakPolarHBondContact O-CB 3.42Å; D407-T438 PolarHBondContact O-OG1 2.99Å; I436-T438 HydrophobicContact CG2-CG2 3.93Å; T438-D440 PolarHBondContact OG1-N 3.21Å; T438-F441 HydrophobicContact CG2-CB 3.95Å; T438-F441 HydrophobicContact CG2-CD2 3.93Å; T438-F441 HydrophobicContact CG2-CG 4.46Å; T438-V444 HydrophobicContact CG2-CG2 4.09Å |
| 439 | G | 88.1 | Confident | 94.7 | Very high | 85 Ų | 85 | 43 Ų | 43 | 88% | 0.876 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -88.2 | -17.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 440 | D | 89.3 | Confident | 94.8 | Very high | 65 Ų | 65 | 40.8 Ų | 40.8 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | trans | -131.4 | 55.1 | -166.8 | -157 | -15.8 | 0 | 0 | 0 | 111.2 | V406 T438 D442 K443 | V406-D440 HydrophobicContact CG1-CB 4.42Å; T438-D440 PolarHBondContact OG1-N 3.21Å; D440-D442 PolarHBondContact O-N 3.5Å; D440-D442 VanDerWaalsContact O-N 3.12Å; D440-K443 PolarHBondContact O-N 3.49Å; D440-K443 VanDerWaalsContact O-N 3.1Å; D440-K443 WeakPolarHBondContact OD2-CD 3.35Å; D440-K443 WeakPolarHBondContact OD2-CE 3.45Å; D440-K443 IonicContact OD2-NZ 2.73Å; D440-K443 PolarHBondContact OD2-NZ 3.41Å | ||
| 441 | F | 93.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 11% | 0.114 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -58.1 | -28.6 | -169.9 | -174.1 | -97.1 | 0 | 0 | 0 | 114.1 | I436 T438 K443 V444 R449 K476 G477 A478 | I436-F441 HydrophobicContact CD1-CE2 4.23Å; T438-F441 HydrophobicContact CG2-CB 3.95Å; T438-F441 HydrophobicContact CG2-CD2 3.93Å; T438-F441 HydrophobicContact CG2-CG 4.46Å; F441-K443 VanDerWaalsContact C-N 3.26Å; F441-K443 PolarHBondContact O-N 3.33Å; F441-V444 WeakPolarHBondContact O-CB 3.39Å; F441-V444 PolarHBondContact O-N 3.49Å; F441-V444 VanDerWaalsContact O-N 3.11Å; F441-R449 HydrophobicContact CE1-CG 4.22Å; F441-R449 HydrophobicContact CE2-CG 4.12Å; F441-R449 HydrophobicContact CZ-CB 4.08Å; F441-R449 HydrophobicContact CZ-CG 3.65Å; F441-R449 PolarHBondContact O-NH2 3.43Å; F441-K476 HydrophobicContact CE1-CG 4.23Å; F441-G477 WeakPolarHBondContact CE1-O 3.29Å; F441-A478 WeakPolarHBondContact CZ-O 3.38Å |
| 442 | D | 91.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -75.6 | -13.1 | -178.4 | -72.5 | -51.4 | 0 | 0 | 0 | 114.1 | I361 N363 D440 R449 Y470 K476 | I361-D442 HydrophobicContact CD1-CB 4.28Å; N363-D442 PolarHBondContact ND2-O 3.15Å; D440-D442 PolarHBondContact O-N 3.5Å; D440-D442 VanDerWaalsContact O-N 3.12Å; D442-R449 VanDerWaalsContact C-NH2 3.32Å; D442-R449 PolarHBondContact O-NH2 2.9Å; D442-R449 IonicContact OD1-NH1 2.64Å; D442-Y470 PolarHBondContact OD1-OH 2.89Å; D442-K476 IonicContact OD1-NZ 3.27Å; D442-K476 PolarHBondContact OD1-NZ 3.44Å; D442-K476 IonicContact OD2-NZ 2.66Å; D442-K476 PolarHBondContact OD2-NZ 2.83Å |
| 443 | K | 93 | Very high | 94.4 | Very high | 77 Ų | 77 | 37 Ų | 37 | 34% | 0.335 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -89.5 | -17.4 | 164.8 | -66.4 | -178.4 | -170.1 | 154.4 | 0 | 114.1 | T365 V406 D440 F441 P445 | T365-K443 WeakPolarHBondContact CG2-O 3.43Å; T365-K443 PolarHBondContact OG1-O 3.09Å; T365-K443 VanDerWaalsContact OG1-O 3.09Å; V406-K443 HydrophobicContact CG2-CB 3.47Å; V406-K443 VanDerWaalsContact CG2-CB 3.47Å; V406-K443 HydrophobicContact CG2-CD 4.21Å; D440-K443 PolarHBondContact O-N 3.49Å; D440-K443 VanDerWaalsContact O-N 3.1Å; D440-K443 WeakPolarHBondContact OD2-CD 3.35Å; D440-K443 WeakPolarHBondContact OD2-CE 3.45Å; D440-K443 IonicContact OD2-NZ 2.73Å; D440-K443 PolarHBondContact OD2-NZ 3.41Å; F441-K443 VanDerWaalsContact C-N 3.26Å; F441-K443 PolarHBondContact O-N 3.33Å; K443-P445 VanDerWaalsContact O-CD 3.31Å; K443-P445 WeakPolarHBondContact O-CD 3.15Å |
| 444 | V | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -62 | 124.9 | 177.2 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | V406 T438 F441 L448 R449 | V406-V444 HydrophobicContact CG1-CG2 3.94Å; T438-V444 HydrophobicContact CG2-CG2 4.09Å; F441-V444 WeakPolarHBondContact O-CB 3.39Å; F441-V444 PolarHBondContact O-N 3.49Å; F441-V444 VanDerWaalsContact O-N 3.11Å; V444-L448 HydrophobicContact CG1-CB 3.65Å; V444-L448 HydrophobicContact CG1-CD1 4.41Å; V444-R449 HydrophobicContact CG1-CG 4.17Å; V444-R449 VanDerWaalsContact O-CZ 3.25Å; V444-R449 PolarHBondContact O-NE 3.48Å; V444-R449 PolarHBondContact O-NH2 3.16Å |
| 445 | P | 95.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | trans | -59 | 144.8 | 179.2 | -28.5 | 37.1 | 0 | 0 | 0 | 112.9 | D354 F356 T365 L367 K443 D447 L448 R449 | D354-P445 HydrophobicContact CB-CB 3.74Å; D354-P445 HydrophobicContact CB-CG 3.61Å; F356-P445 HydrophobicContact CD1-CB 4.24Å; F356-P445 HydrophobicContact CE1-CB 4.15Å; F356-P445 HydrophobicContact CE1-CG 4.13Å; T365-P445 HydrophobicContact CG2-CG 4.44Å; L367-P445 HydrophobicContact CD1-CG 3.81Å; K443-P445 VanDerWaalsContact O-CD 3.31Å; K443-P445 WeakPolarHBondContact O-CD 3.15Å; P445-D447 PolarHBondContact O-N 2.87Å; P445-D447 VanDerWaalsContact O-N 3.15Å; P445-L448 PolarHBondContact O-N 3.03Å; P445-R449 PolarHBondContact O-N 2.76Å | ||
| 446 | P | 93.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -34.2 | -178.5 | -32.3 | 38.3 | 0 | 0 | 0 | 115.2 | T324 F356 Q358 L448 R449 | T324-P446 HydrophobicContact CG2-CB 3.5Å; T324-P446 HydrophobicContact CG2-CG 3.81Å; F356-P446 HydrophobicContact CB-CG 4Å; F356-P446 VanDerWaalsContact CD2-CD 3.43Å; F356-P446 HydrophobicContact CD2-CG 3.7Å; F356-P446 HydrophobicContact CE2-CG 4.32Å; F356-P446 HydrophobicContact CG-CG 3.92Å; Q358-P446 HydrophobicContact CB-CG 4.24Å; P446-L448 PolarHBondContact O-N 2.84Å; P446-R449 PolarHBondContact O-N 2.77Å |
| 447 | D | 91.3 | Very high | 92.6 | Very high | 67 Ų | 67 | 41.6 Ų | 41.6 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -11.8 | 177.3 | -95.5 | -20.3 | 0 | 0 | 0 | 114.4 | K317 P445 K464 | K317-D447 VanDerWaalsContact CD-OD2 3.32Å; K317-D447 WeakPolarHBondContact CD-OD2 3.42Å; K317-D447 WeakPolarHBondContact CE-OD2 3.22Å; K317-D447 IonicContact NZ-OD1 3.9Å; K317-D447 PolarHBondContact NZ-OD1 2.99Å; K317-D447 IonicContact NZ-OD2 3.53Å; K317-D447 PolarHBondContact NZ-OD2 3.01Å; P445-D447 PolarHBondContact O-N 2.87Å; P445-D447 VanDerWaalsContact O-N 3.15Å; D447-K464 IonicContact OD1-NZ 2.98Å |
| 448 | L | 93 | Very high | 92.5 | Very high | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -22.7 | 165.2 | -73.9 | -179.5 | 0 | 0 | 0 | 112.9 | L367 F408 I436 V444 P445 P446 | L367-L448 HydrophobicContact CD1-CD1 3.63Å; F408-L448 HydrophobicContact CE1-CD1 3.84Å; F408-L448 HydrophobicContact CE2-CD1 4.25Å; F408-L448 HydrophobicContact CZ-CD1 3.51Å; I436-L448 WeakPolarHBondContact CD1-O 3.06Å; V444-L448 HydrophobicContact CG1-CB 3.65Å; V444-L448 HydrophobicContact CG1-CD1 4.41Å; P445-L448 PolarHBondContact O-N 3.03Å; P446-L448 PolarHBondContact O-N 2.84Å |
| 449 | R | 95.8 | Very high | 92.3 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 4% | 0.038 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -73.1 | 153.3 | 176.8 | -56.5 | -177.3 | -164.7 | -160.8 | 2.6 | 110.7 | F441 D442 V444 P445 P446 F451 K476 | F441-R449 HydrophobicContact CE1-CG 4.22Å; F441-R449 HydrophobicContact CE2-CG 4.12Å; F441-R449 HydrophobicContact CZ-CB 4.08Å; F441-R449 HydrophobicContact CZ-CG 3.65Å; F441-R449 PolarHBondContact O-NH2 3.43Å; D442-R449 VanDerWaalsContact C-NH2 3.32Å; D442-R449 PolarHBondContact O-NH2 2.9Å; D442-R449 IonicContact OD1-NH1 2.64Å; V444-R449 HydrophobicContact CG1-CG 4.17Å; V444-R449 VanDerWaalsContact O-CZ 3.25Å; V444-R449 PolarHBondContact O-NE 3.48Å; V444-R449 PolarHBondContact O-NH2 3.16Å; P445-R449 PolarHBondContact O-N 2.76Å; P446-R449 PolarHBondContact O-N 2.77Å; R449-F451 HydrophobicContact CB-CE2 3.86Å; R449-F451 HydrophobicContact CB-CZ 4.44Å; R449-K476 VanDerWaalsContact CD-O 3.28Å; R449-K476 WeakPolarHBondContact CD-O 3.46Å; R449-K476 PolarHBondContact NH1-O 2.78Å |
| 450 | F | 97.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 4% | 0.044 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -94.1 | 142.3 | 176.4 | -53 | -49.1 | 0 | 0 | 0 | 113.2 | V410 Q412 G434 W435 I436 A478 L481 | V410-F450 HydrophobicContact CG1-CZ 4.07Å; Q412-F450 HydrophobicContact CG-CE1 4.36Å; Q412-F450 HydrophobicContact CG-CZ 4.5Å; G434-F450 VanDerWaalsContact CA-CE2 3.5Å; G434-F450 VanDerWaalsContact CA-CZ 3.41Å; G434-F450 WeakPolarHBondContact O-CE2 3.24Å; W435-F450 VanDerWaalsContact N-CE2 3.29Å; I436-F450 HydrophobicContact CB-CE2 4.5Å; I436-F450 HydrophobicContact CD1-CD2 4.01Å; I436-F450 HydrophobicContact CD1-CE1 4.42Å; I436-F450 HydrophobicContact CD1-CE2 3.73Å; I436-F450 HydrophobicContact CD1-CG 4.48Å; I436-F450 HydrophobicContact CD1-CZ 3.95Å; I436-F450 HydrophobicContact CG1-CD2 4.3Å; I436-F450 HydrophobicContact CG1-CE2 3.54Å; I436-F450 HydrophobicContact CG1-CZ 3.67Å; F450-A478 HydrophobicContact CB-CB 4.22Å; F450-A478 PolarHBondContact N-O 3.41Å; F450-A478 WeakPolarHBondContact O-CB 3.27Å; F450-A478 PolarHBondContact O-N 2.91Å; F450-L481 HydrophobicContact CB-CB 3.69Å; F450-L481 HydrophobicContact CB-CD1 4.28Å; F450-L481 HydrophobicContact CB-CD2 4.09Å; F450-L481 HydrophobicContact CB-CG 4.23Å; F450-L481 HydrophobicContact CD1-CB 4.41Å; F450-L481 HydrophobicContact CD1-CD2 4.17Å; F450-L481 HydrophobicContact CD2-CB 3.66Å; F450-L481 HydrophobicContact CE2-CB 4.42Å; F450-L481 HydrophobicContact CG-CB 3.65Å; F450-L481 HydrophobicContact CG-CD2 4.12Å; F450-L481 HydrophobicContact CG-CG 4.44Å |
| 451 | F | 96.2 | Very high | 92.3 | Very high | 28 Ų | 28 | 31.2 Ų | 31.2 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | trans | -140.6 | 143.1 | 172.4 | -58 | -101.7 | 0 | 0 | 0 | 108.2 | R449 K464 I466 A467 L475 | R449-F451 HydrophobicContact CB-CE2 3.86Å; R449-F451 HydrophobicContact CB-CZ 4.44Å; F451-K464 HydrophobicContact CB-CB 3.66Å; F451-K464 HydrophobicContact CB-CD 4.45Å; F451-K464 HydrophobicContact CB-CG 4.03Å; F451-K464 HydrophobicContact CG-CB 4.23Å; F451-I466 WeakPolarHBondContact CA-O 3.48Å; F451-A467 HydrophobicContact CD1-CB 3.69Å; F451-A467 HydrophobicContact CE1-CB 4.13Å; F451-A467 HydrophobicContact CG-CB 4.46Å; F451-L475 HydrophobicContact CE1-CB 4.1Å | ||
| 452 | A | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -112.4 | 172.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | S457 I458 K464 S465 I466 L481 T483 A507 | A452-S457 WeakPolarHBondContact CA-OG 3.26Å; A452-S457 WeakPolarHBondContact CB-OG 3.32Å; A452-I458 HydrophobicContact CB-CD1 3.95Å; A452-I458 HydrophobicContact CB-CG1 4.41Å; A452-K464 CarbonylContact O-C 3.46Å; A452-K464 WeakPolarHBondContact O-CA 3.21Å; A452-S465 PolarHBondContact O-N 2.93Å; A452-I466 HydrophobicContact CB-CB 3.94Å; A452-I466 HydrophobicContact CB-CD1 4.26Å; A452-I466 HydrophobicContact CB-CG2 4.28Å; A452-I466 PolarHBondContact N-O 2.89Å; A452-I466 PolarHBondContact O-N 2.79Å; A452-L481 HydrophobicContact CB-CD1 4.07Å; A452-T483 HydrophobicContact CB-CG2 4.22Å; A452-A507 HydrophobicContact CB-CB 4.26Å |
| 453 | G | 92.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | trans | 99.6 | 150.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | S457 K462 K464 | G453-S457 PolarHBondContact N-OG 2.71Å; G453-S457 VanDerWaalsContact N-OG 3.16Å; G453-K462 CarbonylContact C-O 3.58Å; G453-K462 WeakPolarHBondContact CA-O 3.41Å; G453-K464 PolarHBondContact O-N 2.76Å | ||
| 454 | G | 90.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | 96 | 171.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D259 R456 S457 I458 Y461 | D259-G454 WeakPolarHBondContact OD2-CA 3.47Å; G454-R456 PolarHBondContact O-N 3.43Å; G454-S457 PolarHBondContact O-N 2.94Å; G454-I458 PolarHBondContact N-O 3.16Å; G454-I458 CarbonylContact O-C 3.51Å; G454-I458 PolarHBondContact O-N 2.91Å; G454-Y461 PolarHBondContact N-O 2.86Å |
| 455 | D | 84.5 | Confident | 92.1 | Very high | 67 Ų | 67 | 36.3 Ų | 36.3 | 36% | 0.358 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -15.1 | -166.7 | 87 | -40.9 | 0 | 0 | 0 | 117 | D259 R430 | D259-D455 PolarHBondContact OD2-N 3.12Å; R430-D455 PolarHBondContact NH1-O 2.76Å |
| 456 | R | 84.6 | Confident | 91.9 | Very high | 198 Ų | 198 | 36.9 Ų | 36.9 | 75% | 0.747 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 4.8 | 178.9 | -70.4 | 172.7 | 76.3 | 164.8 | 5.5 | 113.8 | G454 | G454-R456 PolarHBondContact O-N 3.43Š|
| 457 | S | 93.2 | Very high | 91.9 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | -80.8 | -177.3 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | A452 G453 G454 | A452-S457 WeakPolarHBondContact CA-OG 3.26Å; A452-S457 WeakPolarHBondContact CB-OG 3.32Å; G453-S457 PolarHBondContact N-OG 2.71Å; G453-S457 VanDerWaalsContact N-OG 3.16Å; G454-S457 PolarHBondContact O-N 2.94Å |
| 458 | I | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -138.2 | 98.4 | 178.9 | -50.1 | 177 | 0 | 0 | 0 | 107.6 | A452 G454 Y461 I466 T483 D503 G505 K517 | A452-I458 HydrophobicContact CB-CD1 3.95Å; A452-I458 HydrophobicContact CB-CG1 4.41Å; G454-I458 PolarHBondContact N-O 3.16Å; G454-I458 CarbonylContact O-C 3.51Å; G454-I458 PolarHBondContact O-N 2.91Å; I458-Y461 HydrophobicContact CB-CD2 4.42Å; I458-Y461 HydrophobicContact CG2-CD2 3.73Å; I458-Y461 HydrophobicContact CG2-CE2 4.04Å; I458-Y461 PolarHBondContact O-N 2.81Å; I458-I466 HydrophobicContact CB-CD1 4.29Å; I458-I466 HydrophobicContact CD1-CD1 3.86Å; I458-T483 HydrophobicContact CD1-CG2 4.32Å; I458-T483 HydrophobicContact CG1-CG2 4.26Å; I458-D503 HydrophobicContact CB-CB 4.36Å; I458-D503 HydrophobicContact CG2-CB 4.06Å; I458-G505 WeakPolarHBondContact CD1-O 3.39Å; I458-K517 HydrophobicContact CD1-CB 4.31Å |
| 459 | R | 90.5 | Very high | 92 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 145.3 | 179.5 | -76.5 | 168.4 | -72.9 | -164.9 | -4.7 | 111.3 | S485 E487 F501 D503 G519 D536 A538 | R459-S485 PolarHBondContact NH2-OG 2.79Å; R459-E487 IonicContact CZ-OE2 3.15Å; R459-E487 IonicContact NH1-OE2 2.72Å; R459-E487 PolarHBondContact NH1-OE2 3.41Å; R459-E487 IonicContact NH2-OE2 2.79Å; R459-E487 PolarHBondContact NH2-OE2 2.79Å; R459-F501 HydrophobicContact CB-CD2 4.39Å; R459-F501 HydrophobicContact CB-CE2 3.65Å; R459-F501 HydrophobicContact CB-CZ 4.32Å; R459-F501 HydrophobicContact CG-CE2 4.3Å; R459-F501 VanDerWaalsContact CZ-CD2 3.49Å; R459-F501 VanDerWaalsContact CZ-CG 3.47Å; R459-D503 VanDerWaalsContact CB-OD2 3.31Å; R459-D503 WeakPolarHBondContact CB-OD2 3.5Å; R459-D503 WeakPolarHBondContact CG-OD2 3.15Å; R459-D503 IonicContact CZ-OD1 3.16Å; R459-D503 IonicContact CZ-OD2 3.28Å; R459-D503 PolarHBondContact N-OD2 2.95Å; R459-D503 IonicContact NE-OD1 2.88Å; R459-D503 IonicContact NE-OD2 3.79Å; R459-D503 PolarHBondContact NE-OD2 3.14Å; R459-D503 IonicContact NH2-OD1 2.67Å; R459-D503 PolarHBondContact NH2-OD1 2.68Å; R459-D503 IonicContact NH2-OD2 3.76Å; R459-D503 PolarHBondContact NH2-OD2 2.72Å; R459-G519 WeakPolarHBondContact O-CA 3.24Å; R459-D536 VanDerWaalsContact CD-OD2 3.24Å; R459-D536 WeakPolarHBondContact CD-OD2 3.25Å; R459-D536 IonicContact CZ-OD2 3.97Å; R459-D536 IonicContact NE-OD2 3.24Å; R459-D536 IonicContact NH1-OD2 2.74Å; R459-D536 PolarHBondContact NH1-OD2 2.87Å; R459-A538 HydrophobicContact CB-CB 3.67Å |
| 460 | G | 87.4 | Confident | 91.7 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 31% | 0.309 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.7 | -26.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A538 | G460-A538 VanDerWaalsContact N-CB 3.34Š|
| 461 | Y | 90.6 | Very high | 91.1 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 9% | 0.086 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -101.7 | 148.3 | 169.4 | -60.1 | -96.1 | 0 | 0 | 0 | 110.7 | G454 I458 I466 K517 P540 D543 | G454-Y461 PolarHBondContact N-O 2.86Å; I458-Y461 HydrophobicContact CB-CD2 4.42Å; I458-Y461 HydrophobicContact CG2-CD2 3.73Å; I458-Y461 HydrophobicContact CG2-CE2 4.04Å; I458-Y461 PolarHBondContact O-N 2.81Å; Y461-I466 HydrophobicContact CD1-CD1 3.98Å; Y461-I466 HydrophobicContact CD1-CG1 4.11Å; Y461-I466 HydrophobicContact CD2-CD1 3.94Å; Y461-I466 HydrophobicContact CE2-CD1 4.49Å; Y461-I466 HydrophobicContact CG-CD1 3.64Å; Y461-I466 HydrophobicContact CG-CG1 4.17Å; Y461-K517 HydrophobicContact CE1-CB 4.31Å; Y461-K517 HydrophobicContact CE1-CG 4.32Å; Y461-K517 HydrophobicContact CE2-CB 3.85Å; Y461-P540 HydrophobicContact CD1-CG 4.2Å; Y461-P540 HydrophobicContact CD2-CG 4.16Å; Y461-P540 HydrophobicContact CE1-CB 4.2Å; Y461-P540 HydrophobicContact CE1-CG 3.87Å; Y461-P540 HydrophobicContact CE2-CB 3.94Å; Y461-P540 HydrophobicContact CE2-CG 3.81Å; Y461-P540 HydrophobicContact CG-CG 4.35Å; Y461-D543 WeakPolarHBondContact CE1-OD2 3.41Å; Y461-D543 PolarHBondContact OH-OD2 2.85Å |
| 462 | K | 87.7 | Confident | 90.6 | Very high | 130 Ų | 130 | 49.7 Ų | 49.7 | 57% | 0.565 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -63 | 150.9 | -178.9 | -175.7 | -169.7 | -177.3 | -160.4 | 0 | 111.6 | N322 G453 K464 S465 | N322-K462 VanDerWaalsContact OD1-CE 3.25Å; N322-K462 WeakPolarHBondContact OD1-CE 3.23Å; N322-K462 PolarHBondContact OD1-NZ 2.93Å; G453-K462 CarbonylContact C-O 3.58Å; G453-K462 WeakPolarHBondContact CA-O 3.41Å; K462-K464 PolarHBondContact O-N 2.91Å; K462-S465 PolarHBondContact N-OG 2.85Å; K462-S465 WeakPolarHBondContact O-CB 3.32Å; K462-S465 PolarHBondContact O-N 2.97Å; K462-S465 VanDerWaalsContact O-N 3.11Å; K462-S465 PolarHBondContact O-OG 3.02Å |
| 463 | Y | 93.2 | Very high | 90.3 | Very high | 48 Ų | 48 | 51.3 Ų | 51.3 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 125.4 | 175.2 | -174.1 | -133 | 0 | 0 | 0 | 113.3 | D259 V260 E290 L321 N322 S465 | D259-Y463 HydrophobicContact CB-CG 4.19Å; V260-Y463 HydrophobicContact CG1-CD1 3.71Å; V260-Y463 HydrophobicContact CG1-CE1 3.57Å; V260-Y463 HydrophobicContact CG1-CG 4.46Å; E290-Y463 PolarHBondContact OE2-OH 2.79Å; L321-Y463 HydrophobicContact CD1-CD1 4.01Å; L321-Y463 HydrophobicContact CD2-CD1 3.55Å; L321-Y463 HydrophobicContact CD2-CE1 3.46Å; L321-Y463 VanDerWaalsContact CD2-CE1 3.46Å; L321-Y463 HydrophobicContact CG-CD1 4.45Å; N322-Y463 PolarHBondContact ND2-O 3.28Å; Y463-S465 PolarHBondContact O-N 2.99Å; Y463-S465 VanDerWaalsContact O-N 3.11Å |
| 464 | K | 93.7 | Very high | 90.3 | Very high | 44 Ų | 44 | 53.2 Ų | 53.2 | 19% | 0.191 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 30 | -177.9 | -61.6 | -170.3 | -169.3 | 165.6 | 0 | 114.4 | E290 L321 N322 D447 F451 A452 G453 K462 | E290-K464 IonicContact OE1-NZ 3.79Å; E290-K464 PolarHBondContact OE1-NZ 2.61Å; L321-K464 HydrophobicContact CD2-CB 4.2Å; L321-K464 HydrophobicContact CD2-CD 3.79Å; L321-K464 HydrophobicContact CD2-CG 4.22Å; N322-K464 PolarHBondContact ND2-O 2.91Å; D447-K464 IonicContact OD1-NZ 2.98Å; F451-K464 HydrophobicContact CB-CB 3.66Å; F451-K464 HydrophobicContact CB-CD 4.45Å; F451-K464 HydrophobicContact CB-CG 4.03Å; F451-K464 HydrophobicContact CG-CB 4.23Å; A452-K464 CarbonylContact O-C 3.46Å; A452-K464 WeakPolarHBondContact O-CA 3.21Å; G453-K464 PolarHBondContact O-N 2.76Å; K462-K464 PolarHBondContact O-N 2.91Å |
| 465 | S | 92.3 | Very high | 90.5 | Very high | 35 Ų | 35 | 53.4 Ų | 53.4 | 25% | 0.245 | 29% | 0.288 | C | S | . | . | trans | -92.9 | -5.3 | -176.9 | 79.7 | 0 | 0 | 0 | 0 | 115.8 | A452 K462 Y463 L475 | A452-S465 PolarHBondContact O-N 2.93Å; K462-S465 PolarHBondContact N-OG 2.85Å; K462-S465 WeakPolarHBondContact O-CB 3.32Å; K462-S465 PolarHBondContact O-N 2.97Å; K462-S465 VanDerWaalsContact O-N 3.11Å; K462-S465 PolarHBondContact O-OG 3.02Å; Y463-S465 PolarHBondContact O-N 2.99Å; Y463-S465 VanDerWaalsContact O-N 3.11Å; S465-L475 WeakPolarHBondContact O-CD2 3.46Å | ||
| 466 | I | 92.6 | Very high | 90.9 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -104.1 | 111.6 | 178.5 | -56.9 | 165 | 0 | 0 | 0 | 108.8 | F451 A452 I458 Y461 A507 K517 | F451-I466 WeakPolarHBondContact CA-O 3.48Å; A452-I466 HydrophobicContact CB-CB 3.94Å; A452-I466 HydrophobicContact CB-CD1 4.26Å; A452-I466 HydrophobicContact CB-CG2 4.28Å; A452-I466 PolarHBondContact N-O 2.89Å; A452-I466 PolarHBondContact O-N 2.79Å; I458-I466 HydrophobicContact CB-CD1 4.29Å; I458-I466 HydrophobicContact CD1-CD1 3.86Å; Y461-I466 HydrophobicContact CD1-CD1 3.98Å; Y461-I466 HydrophobicContact CD1-CG1 4.11Å; Y461-I466 HydrophobicContact CD2-CD1 3.94Å; Y461-I466 HydrophobicContact CE2-CD1 4.49Å; Y461-I466 HydrophobicContact CG-CD1 3.64Å; Y461-I466 HydrophobicContact CG-CG1 4.17Å; I466-A507 HydrophobicContact CG2-CB 4.48Å; I466-A507 WeakPolarHBondContact O-CB 3.32Å; I466-K517 HydrophobicContact CD1-CB 3.83Å; I466-K517 HydrophobicContact CD1-CG 3.99Å; I466-K517 HydrophobicContact CG1-CG 4.32Å; I466-K517 HydrophobicContact CG2-CG 3.9Å |
| 467 | A | 94.2 | Very high | 91.4 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 12% | 0.124 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -162.1 | 168.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | F451 L475 | F451-A467 HydrophobicContact CD1-CB 3.69Å; F451-A467 HydrophobicContact CE1-CB 4.13Å; F451-A467 HydrophobicContact CG-CB 4.46Å; A467-L475 HydrophobicContact CB-CD2 4.06Å |
| 468 | P | 93.4 | Very high | 91.5 | Very high | 32 Ų | 32 | 41.7 Ų | 41.7 | 21% | 0.208 | 24% | 0.236 | C | C | . | . | trans | -56.7 | 149.4 | 166.2 | -22.2 | 35.4 | 0 | 0 | 0 | 110.5 | K476 A478 A507 | P468-K476 WeakPolarHBondContact O-CB 3.46Å; P468-K476 PolarHBondContact O-N 2.72Å; P468-A478 HydrophobicContact CG-CB 4.32Å; P468-A507 VanDerWaalsContact CD-O 3.31Å; P468-A507 WeakPolarHBondContact CD-O 3.39Å | ||
| 469 | K | 91.1 | Very high | 91.5 | Very high | 137 Ų | 137 | 42.2 Ų | 42.2 | 60% | 0.596 | 24% | 0.24 | S | C | * | . | B | Isolated β-bridge | trans | -112.8 | 152.7 | -177.8 | -70.5 | 173.6 | 164.1 | -167.7 | 0 | 112 | G473 D474 L475 | K469-G473 WeakPolarHBondContact CD-O 3.36Å; K469-G473 WeakPolarHBondContact CE-O 3.12Å; K469-G473 WeakPolarHBondContact CG-O 3.37Å; K469-D474 CarbonylContact C-O 3.49Å; K469-D474 WeakPolarHBondContact CA-O 2.85Å; K469-D474 WeakPolarHBondContact CB-O 3.12Å; K469-L475 HydrophobicContact CG-CD2 4.08Å |
| 470 | Y | 90.3 | Very high | 91.8 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 16% | 0.161 | 24% | 0.243 | C | C | . | . | trans | -74.8 | 174.5 | 165.2 | -59 | -80.5 | 0 | 0 | 0 | 110.7 | Q358 I361 D442 N472 G473 D474 K476 | Q358-Y470 HydrophobicContact CG-CE2 4.45Å; Q358-Y470 VanDerWaalsContact O-CE2 3.26Å; Q358-Y470 WeakPolarHBondContact O-CE2 3.46Å; Q358-Y470 PolarHBondContact O-OH 2.88Å; I361-Y470 HydrophobicContact CD1-CE1 3.56Å; I361-Y470 HydrophobicContact CG1-CE1 4.22Å; D442-Y470 PolarHBondContact OD1-OH 2.89Å; Y470-N472 WeakPolarHBondContact CB-OD1 3.42Å; Y470-N472 PolarHBondContact O-N 2.72Å; Y470-G473 PolarHBondContact O-N 3.5Å; Y470-D474 HydrophobicContact CD2-CB 4.15Å; Y470-D474 PolarHBondContact N-O 2.78Å; Y470-K476 HydrophobicContact CD1-CB 4.25Å; Y470-K476 HydrophobicContact CD1-CD 4.18Å; Y470-K476 HydrophobicContact CD1-CG 4.2Å; Y470-K476 HydrophobicContact CD2-CB 4Å; Y470-K476 HydrophobicContact CE1-CB 4.04Å; Y470-K476 HydrophobicContact CE1-CD 3.95Å; Y470-K476 HydrophobicContact CE1-CG 3.66Å; Y470-K476 HydrophobicContact CE2-CB 3.81Å; Y470-K476 HydrophobicContact CE2-CG 4.2Å; Y470-K476 HydrophobicContact CG-CB 4.24Å | ||
| 471 | A | 84.6 | Confident | 92.3 | Very high | 119 Ų | 119 | 42.5 Ų | 42.5 | 98% | 0.983 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 472 | N | 86.4 | Confident | 92.6 | Very high | 74 Ų | 74 | 44.6 Ų | 44.6 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -22.3 | 174.9 | 64 | -5.6 | 0 | 0 | 0 | 113.1 | E360 Y470 D474 | E360-N472 PolarHBondContact OE1-ND2 3.02Å; Y470-N472 WeakPolarHBondContact CB-OD1 3.42Å; Y470-N472 PolarHBondContact O-N 2.72Å; N472-D474 VanDerWaalsContact ND2-CG 3.25Å; N472-D474 PolarHBondContact ND2-OD2 3.21Å; N472-D474 VanDerWaalsContact OD1-CG 3.31Å; N472-D474 PolarHBondContact OD1-N 3Å |
| 473 | G | 87.5 | Confident | 93.1 | Very high | 35 Ų | 35 | 38.9 Ų | 38.9 | 36% | 0.361 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 119.8 | -14.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | K469 Y470 | K469-G473 WeakPolarHBondContact CD-O 3.36Å; K469-G473 WeakPolarHBondContact CE-O 3.12Å; K469-G473 WeakPolarHBondContact CG-O 3.37Å; Y470-G473 PolarHBondContact O-N 3.5Å |
| 474 | D | 93.5 | Very high | 93.3 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | trans | -70.1 | 150.4 | -176.8 | -52 | -8.3 | 0 | 0 | 0 | 111.8 | D323 G359 K469 Y470 N472 K476 | D323-D474 HydrophobicContact CB-CB 4.1Å; G359-D474 WeakPolarHBondContact CA-OD2 3.48Å; K469-D474 CarbonylContact C-O 3.49Å; K469-D474 WeakPolarHBondContact CA-O 2.85Å; K469-D474 WeakPolarHBondContact CB-O 3.12Å; Y470-D474 HydrophobicContact CD2-CB 4.15Å; Y470-D474 PolarHBondContact N-O 2.78Å; N472-D474 VanDerWaalsContact ND2-CG 3.25Å; N472-D474 PolarHBondContact ND2-OD2 3.21Å; N472-D474 VanDerWaalsContact OD1-CG 3.31Å; N472-D474 PolarHBondContact OD1-N 3Å; D474-K476 PolarHBondContact O-N 3.1Å | ||
| 475 | L | 95.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -69.9 | 127.7 | 176.9 | -61.7 | 165.9 | 0 | 0 | 0 | 111.4 | N322 D323 Q358 F451 S465 A467 K469 | N322-L475 HydrophobicContact CB-CD1 4.06Å; D323-L475 VanDerWaalsContact OD2-CB 3.3Å; D323-L475 WeakPolarHBondContact OD2-CB 3.39Å; D323-L475 WeakPolarHBondContact OD2-CG 3.39Å; D323-L475 PolarHBondContact OD2-N 3.17Å; Q358-L475 WeakPolarHBondContact CG-O 3.25Å; Q358-L475 PolarHBondContact NE2-O 3.15Å; F451-L475 HydrophobicContact CE1-CB 4.1Å; S465-L475 WeakPolarHBondContact O-CD2 3.46Å; A467-L475 HydrophobicContact CB-CD2 4.06Å; K469-L475 HydrophobicContact CG-CD2 4.08Å |
| 476 | K | 93.4 | Very high | 93.6 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | trans | -88.9 | -23.7 | 174.8 | -178.4 | 179 | -177.8 | 73.1 | 0 | 113 | F441 D442 R449 P468 Y470 D474 | F441-K476 HydrophobicContact CE1-CG 4.23Å; D442-K476 IonicContact OD1-NZ 3.27Å; D442-K476 PolarHBondContact OD1-NZ 3.44Å; D442-K476 IonicContact OD2-NZ 2.66Å; D442-K476 PolarHBondContact OD2-NZ 2.83Å; R449-K476 VanDerWaalsContact CD-O 3.28Å; R449-K476 WeakPolarHBondContact CD-O 3.46Å; R449-K476 PolarHBondContact NH1-O 2.78Å; P468-K476 WeakPolarHBondContact O-CB 3.46Å; P468-K476 PolarHBondContact O-N 2.72Å; Y470-K476 HydrophobicContact CD1-CB 4.25Å; Y470-K476 HydrophobicContact CD1-CD 4.18Å; Y470-K476 HydrophobicContact CD1-CG 4.2Å; Y470-K476 HydrophobicContact CD2-CB 4Å; Y470-K476 HydrophobicContact CE1-CB 4.04Å; Y470-K476 HydrophobicContact CE1-CD 3.95Å; Y470-K476 HydrophobicContact CE1-CG 3.66Å; Y470-K476 HydrophobicContact CE2-CB 3.81Å; Y470-K476 HydrophobicContact CE2-CG 4.2Å; Y470-K476 HydrophobicContact CG-CB 4.24Å; D474-K476 PolarHBondContact O-N 3.1Å | ||
| 477 | G | 93.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | 80.5 | 157.3 | -164.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F441 | F441-G477 WeakPolarHBondContact CE1-O 3.29Š| ||
| 478 | A | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -107.6 | 155.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F441 F450 P468 A507 | F441-A478 WeakPolarHBondContact CZ-O 3.38Å; F450-A478 HydrophobicContact CB-CB 4.22Å; F450-A478 PolarHBondContact N-O 3.41Å; F450-A478 WeakPolarHBondContact O-CB 3.27Å; F450-A478 PolarHBondContact O-N 2.91Å; P468-A478 HydrophobicContact CG-CB 4.32Å; A478-A507 VanDerWaalsContact CB-C 3.42Å; A478-A507 HydrophobicContact CB-CB 3.68Å |
| 479 | S | 95.1 | Very high | 93.9 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -104 | -6 | 171.9 | 61.1 | 0 | 0 | 0 | 0 | 113.8 | W435 I436 V508 S509 | W435-S479 CarbonylContact C-O 3.43Å; I436-S479 PolarHBondContact N-O 3.44Å; S479-V508 PolarHBondContact N-O 2.82Å; S479-S509 PolarHBondContact OG-O 3.47Å |
| 480 | K | 97.1 | Very high | 93.8 | Very high | 23 Ų | 23 | 37.1 Ų | 37.1 | 10% | 0.1 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139 | 171 | -71.3 | 87.3 | -154.6 | 168.8 | 0 | 109.1 | G434 W435 I436 E437 A507 V508 | G434-K480 WeakPolarHBondContact O-CA 3.35Å; W435-K480 HydrophobicContact CD2-CD 4.48Å; W435-K480 HydrophobicContact CD2-CG 3.73Å; W435-K480 HydrophobicContact CE3-CG 3.65Å; W435-K480 HydrophobicContact CG-CG 4.35Å; W435-K480 HydrophobicContact CH2-CG 4.15Å; W435-K480 HydrophobicContact CZ2-CD 4.38Å; W435-K480 HydrophobicContact CZ2-CG 4.21Å; W435-K480 HydrophobicContact CZ3-CG 3.87Å; I436-K480 PolarHBondContact O-NZ 3.18Å; E437-K480 IonicContact OE2-NZ 2.96Å; K480-A507 CarbonylContact O-C 2.97Å; K480-A507 WeakPolarHBondContact O-CA 3.12Å; K480-V508 HydrophobicContact CB-CG2 4.24Å; K480-V508 PolarHBondContact N-O 2.86Å; K480-V508 PolarHBondContact O-N 2.8Å |
| 481 | L | 97.9 | Very high | 93.7 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 131.1 | -178.6 | 178.8 | 75 | 0 | 0 | 0 | 109.5 | T432 L433 G434 F450 A452 T483 E506 A507 | T432-L481 HydrophobicContact CG2-CD2 3.99Å; L433-L481 WeakPolarHBondContact CA-O 3.46Å; G434-L481 PolarHBondContact N-O 3.08Å; G434-L481 PolarHBondContact O-N 2.85Å; F450-L481 HydrophobicContact CB-CB 3.69Å; F450-L481 HydrophobicContact CB-CD1 4.28Å; F450-L481 HydrophobicContact CB-CD2 4.09Å; F450-L481 HydrophobicContact CB-CG 4.23Å; F450-L481 HydrophobicContact CD1-CB 4.41Å; F450-L481 HydrophobicContact CD1-CD2 4.17Å; F450-L481 HydrophobicContact CD2-CB 3.66Å; F450-L481 HydrophobicContact CE2-CB 4.42Å; F450-L481 HydrophobicContact CG-CB 3.65Å; F450-L481 HydrophobicContact CG-CD2 4.12Å; F450-L481 HydrophobicContact CG-CG 4.44Å; A452-L481 HydrophobicContact CB-CD1 4.07Å; L481-T483 HydrophobicContact CD1-CG2 3.92Å; L481-T483 HydrophobicContact CG-CG2 4.4Å; L481-E506 WeakPolarHBondContact CA-O 3.34Å; L481-A507 HydrophobicContact CD1-CB 4.02Å |
| 482 | I | 97.4 | Very high | 93.4 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 34% | 0.338 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 125.1 | 163.6 | 179.5 | 167.4 | 0 | 0 | 0 | 108.6 | T432 L433 G505 E506 F516 | T432-I482 WeakPolarHBondContact O-CA 3.35Å; L433-I482 HydrophobicContact CD2-CB 3.88Å; L433-I482 HydrophobicContact CD2-CD1 3.74Å; L433-I482 HydrophobicContact CD2-CG1 3.63Å; I482-G505 CarbonylContact O-C 3.46Å; I482-G505 WeakPolarHBondContact O-CA 3.34Å; I482-E506 HydrophobicContact CG2-CG 3.62Å; I482-E506 PolarHBondContact N-O 3.06Å; I482-E506 VanDerWaalsContact N-O 3.08Å; I482-E506 PolarHBondContact O-N 3.1Å; I482-F516 HydrophobicContact CG2-CE1 4.12Å; I482-F516 HydrophobicContact CG2-CZ 3.7Å |
| 483 | T | 97.5 | Very high | 92.5 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 136.2 | 170.9 | 69.7 | 0 | 0 | 0 | 0 | 110.7 | G431 T432 A452 I458 L481 | G431-T483 CarbonylContact C-O 3.5Å; G431-T483 WeakPolarHBondContact CA-O 3.46Å; T432-T483 WeakPolarHBondContact CB-OG1 3.27Å; T432-T483 PolarHBondContact N-O 2.77Å; T432-T483 PolarHBondContact O-N 3.48Å; A452-T483 HydrophobicContact CB-CG2 4.22Å; I458-T483 HydrophobicContact CD1-CG2 4.32Å; I458-T483 HydrophobicContact CG1-CG2 4.26Å; L481-T483 HydrophobicContact CD1-CG2 3.92Å; L481-T483 HydrophobicContact CG-CG2 4.4Å |
| 484 | G | 96.6 | Very high | 91.9 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 35% | 0.351 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | R430 D503 S504 | R430-G484 CarbonylContact O-C 3.53Å; R430-G484 WeakPolarHBondContact O-CA 3.45Å; G484-D503 CarbonylContact O-C 3.58Å; G484-D503 WeakPolarHBondContact O-CA 3.11Å; G484-S504 PolarHBondContact N-O 2.81Å; G484-S504 PolarHBondContact O-N 3.01Å |
| 485 | S | 97 | Very high | 91.3 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.1 | 176.5 | 178 | 0 | 0 | 0 | 0 | 109.2 | T429 R430 R459 D503 | T429-S485 CarbonylContact C-O 3.45Å; T429-S485 VanDerWaalsContact CA-O 3.32Å; T429-S485 WeakPolarHBondContact CA-O 3.02Å; R430-S485 PolarHBondContact N-O 2.88Å; R430-S485 PolarHBondContact O-N 3.17Å; R459-S485 PolarHBondContact NH2-OG 2.79Å; S485-D503 VanDerWaalsContact CB-OD1 3.24Å; S485-D503 WeakPolarHBondContact CB-OD1 3.48Å; S485-D503 PolarHBondContact OG-OD1 2.84Å |
| 486 | L | 96.7 | Very high | 90.7 | Very high | 103 Ų | 103 | 34.4 Ų | 34.4 | 54% | 0.539 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 104.9 | 170.9 | -66.9 | 176.3 | 0 | 0 | 0 | 107.9 | T429 F501 V502 | T429-L486 HydrophobicContact CG2-CD2 3.81Å; T429-L486 WeakPolarHBondContact OG1-CD2 3.44Å; L486-F501 VanDerWaalsContact O-CA 3.26Å; L486-F501 WeakPolarHBondContact O-CA 3.42Å; L486-V502 HydrophobicContact CB-CG1 4.19Å; L486-V502 PolarHBondContact N-O 2.88Å; L486-V502 PolarHBondContact O-N 2.79Å |
| 487 | E | 96.4 | Very high | 90.6 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114.8 | 176.4 | 175.6 | 178.1 | 155.2 | 0 | 0 | 109.2 | V428 R459 Q489 A499 F501 R525 K534 | V428-E487 HydrophobicContact CB-CB 4.26Å; V428-E487 PolarHBondContact N-O 2.99Å; V428-E487 PolarHBondContact O-N 2.66Å; R459-E487 IonicContact CZ-OE2 3.15Å; R459-E487 IonicContact NH1-OE2 2.72Å; R459-E487 PolarHBondContact NH1-OE2 3.41Å; R459-E487 IonicContact NH2-OE2 2.79Å; R459-E487 PolarHBondContact NH2-OE2 2.79Å; E487-Q489 HydrophobicContact CG-CG 4.06Å; E487-Q489 PolarHBondContact OE1-NE2 3.37Å; E487-A499 HydrophobicContact CG-CB 4.37Å; E487-F501 HydrophobicContact CB-CB 3.83Å; E487-F501 HydrophobicContact CG-CB 4.11Å; E487-R525 VanDerWaalsContact CD-NH2 3.31Å; E487-R525 IonicContact OE1-CZ 3.65Å; E487-R525 IonicContact OE1-NE 2.79Å; E487-R525 PolarHBondContact OE1-NE 3.25Å; E487-R525 IonicContact OE1-NH2 3.45Å; E487-R525 PolarHBondContact OE1-NH2 2.85Å; E487-R525 IonicContact OE2-NH2 2.73Å; E487-R525 PolarHBondContact OE2-NH2 2.88Å; E487-K534 IonicContact OE1-NZ 2.8Å; E487-K534 PolarHBondContact OE1-NZ 3.38Å; E487-K534 IonicContact OE2-NZ 2.71Å; E487-K534 PolarHBondContact OE2-NZ 2.88Å |
| 488 | Y | 95.3 | Very high | 90.4 | Very high | 74 Ų | 74 | 33.7 Ų | 33.7 | 29% | 0.29 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 124.8 | 170.7 | 160.8 | -122.2 | 0 | 0 | 0 | 108.6 | H425 F427 Y490 A499 V500 | H425-Y488 HydrophobicContact CB-CE2 4.1Å; H425-Y488 PolarHBondContact CE1-OH 3.32Å; H425-Y488 VanDerWaalsContact CE1-OH 3.28Å; H425-Y488 AromaticContact ND1-CE2 3.54Å; H425-Y488 AromaticContact ND1-CZ 3.57Å; H425-Y488 PolarHBondContact ND1-OH 2.74Å; F427-Y488 AromaticContact CD1-CD2 3.96Å; F427-Y488 HydrophobicContact CD1-CD2 3.96Å; F427-Y488 HydrophobicContact CD1-CG 4.4Å; F427-Y488 AromaticContact CE1-CD2 3.47Å; F427-Y488 HydrophobicContact CE1-CD2 3.47Å; F427-Y488 VanDerWaalsContact CE1-CD2 3.47Å; F427-Y488 HydrophobicContact CE1-CE2 4.24Å; F427-Y488 AromaticContact CE1-CG 3.97Å; F427-Y488 HydrophobicContact CE1-CG 3.97Å; F427-Y488 HydrophobicContact CE2-CD2 4.47Å; F427-Y488 AromaticContact CZ-CD2 3.77Å; F427-Y488 HydrophobicContact CZ-CD2 3.77Å; F427-Y488 HydrophobicContact CZ-CE2 4.1Å; Y488-Y490 WeakPolarHBondContact OH-CD2 3.29Å; Y488-A499 WeakPolarHBondContact O-CA 3.37Å; Y488-V500 HydrophobicContact CD1-CG2 3.59Å; Y488-V500 HydrophobicContact CE1-CG2 4.45Å; Y488-V500 HydrophobicContact CG-CG2 4.35Å; Y488-V500 PolarHBondContact N-O 2.66Å; Y488-V500 PolarHBondContact O-N 3.32Å; Y488-V500 VanDerWaalsContact O-O 3.12Å |
| 489 | Q | 93.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.9 | 177.6 | -54.6 | 176.9 | -11.3 | 0 | 0 | 109.3 | R426 E487 W497 G498 A499 R525 | R426-Q489 HydrophobicContact CB-CB 4.28Å; R426-Q489 PolarHBondContact N-O 2.73Å; R426-Q489 VanDerWaalsContact NH1-CD 3.34Å; R426-Q489 WeakPolarHBondContact O-CB 3.5Å; R426-Q489 PolarHBondContact O-N 3.32Å; E487-Q489 HydrophobicContact CG-CG 4.06Å; E487-Q489 PolarHBondContact OE1-NE2 3.37Å; Q489-W497 HydrophobicContact CB-CB 4.43Å; Q489-W497 HydrophobicContact CB-CE3 3.89Å; Q489-G498 CarbonylContact C-O 3.53Å; Q489-G498 WeakPolarHBondContact CA-O 3.09Å; Q489-A499 HydrophobicContact CG-CB 4.16Å; Q489-R525 HydrophobicContact CG-CG 4.47Å |
| 490 | Y | 90.2 | Very high | 90.1 | Very high | 70 Ų | 70 | 36.9 Ų | 36.9 | 28% | 0.275 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.1 | 170 | -174.8 | -112.4 | 0 | 0 | 0 | 109.4 | R424 H425 Y488 V492 W497 G498 | R424-Y490 HydrophobicContact CB-CD2 3.99Å; R424-Y490 HydrophobicContact CB-CE2 3.66Å; R424-Y490 WeakPolarHBondContact CD-OH 3.13Å; R424-Y490 HydrophobicContact CG-CE2 4.5Å; R424-Y490 CarbonylContact O-C 3.5Å; R424-Y490 VanDerWaalsContact O-CA 3.27Å; R424-Y490 WeakPolarHBondContact O-CA 3.4Å; H425-Y490 AromaticContact CE1-CD2 3.54Å; H425-Y490 AromaticContact CE1-CE2 3.57Å; H425-Y490 AromaticContact ND1-CD2 3.65Å; H425-Y490 AromaticContact NE2-CE2 3.86Å; Y488-Y490 WeakPolarHBondContact OH-CD2 3.29Å; Y490-V492 HydrophobicContact CD1-CG2 4Å; Y490-V492 PolarHBondContact O-N 3.03Å; Y490-W497 CarbonylContact O-C 3.59Å; Y490-W497 WeakPolarHBondContact O-CA 3.13Å; Y490-W497 WeakPolarHBondContact O-CB 3.27Å; Y490-G498 PolarHBondContact N-O 3.02Å; Y490-G498 PolarHBondContact O-N 2.99Å |
| 491 | N | 88.2 | Confident | 90 | Very high | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.064 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 104.6 | 169.2 | -169.5 | -34.8 | 0 | 0 | 0 | 108.2 | R424 T493 G494 W497 | R424-N491 HydrophobicContact CB-CB 3.8Å; R424-N491 WeakPolarHBondContact CD-O 3.37Å; R424-N491 HydrophobicContact CG-CB 4Å; R424-N491 PolarHBondContact O-N 3.43Å; N491-T493 WeakPolarHBondContact OD1-CA 3.25Å; N491-T493 PolarHBondContact OD1-N 3.44Å; N491-T493 PolarHBondContact OD1-O 3.45Å; N491-G494 PolarHBondContact ND2-O 2.65Å; N491-G494 PolarHBondContact OD1-N 2.9Å; N491-G494 PolarHBondContact OD1-O 3.42Å; N491-W497 HydrophobicContact CB-CD2 3.67Å; N491-W497 HydrophobicContact CB-CE3 3.73Å; N491-W497 HydrophobicContact CB-CG 4.23Å; N491-W497 HydrophobicContact CB-CH2 4.18Å; N491-W497 HydrophobicContact CB-CZ2 4.14Å; N491-W497 HydrophobicContact CB-CZ3 3.97Å |
| 492 | V | 77.1 | Confident | 89.9 | Confident | 84 Ų | 84 | 37.8 Ų | 37.8 | 51% | 0.509 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -44.9 | -177.7 | 171.2 | 0 | 0 | 0 | 0 | 109.5 | Y490 W496 | Y490-V492 HydrophobicContact CD1-CG2 4Å; Y490-V492 PolarHBondContact O-N 3.03Å; V492-W496 PolarHBondContact N-O 2.78Å; V492-W496 VanDerWaalsContact N-O 3.17Å |
| 493 | T | 67.6 | Low | 89.8 | Confident | 87 Ų | 87 | 34.7 Ų | 34.7 | 53% | 0.534 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 150.4 | 167.8 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | N491 W496 | N491-T493 WeakPolarHBondContact OD1-CA 3.25Å; N491-T493 PolarHBondContact OD1-N 3.44Å; N491-T493 PolarHBondContact OD1-O 3.45Å; T493-W496 PolarHBondContact N-O 2.89Å; T493-W496 CarbonylContact O-C 3.56Å; T493-W496 VanDerWaalsContact O-CA 3.26Å; T493-W496 WeakPolarHBondContact O-CA 3.35Å; T493-W496 VanDerWaalsContact O-CB 3.23Å; T493-W496 WeakPolarHBondContact O-CB 3.47Å; T493-W496 PolarHBondContact O-N 2.99Å |
| 494 | G | 75.6 | Confident | 89.7 | Confident | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -148.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | N491 W496 D1653 Y1686 | N491-G494 PolarHBondContact ND2-O 2.65Å; N491-G494 PolarHBondContact OD1-N 2.9Å; N491-G494 PolarHBondContact OD1-O 3.42Å; G494-W496 PolarHBondContact O-N 2.81Å; G494-D1653 WeakPolarHBondContact CA-OD1 3.39Å; G494-D1653 WeakPolarHBondContact CA-OD2 3.41Å; G494-Y1686 WeakPolarHBondContact CA-OH 3.49Å |
| 495 | K | 80.8 | Confident | 89.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -3 | 156.8 | -68.4 | -154.4 | 147.9 | -173.7 | 0 | 113.5 | W526 E527 D1653 D1654 V1655 I1656 D1675 P1676 | K495-W526 VanDerWaalsContact CB-CD1 3.45Å; K495-E527 HydrophobicContact CB-CB 4.06Å; K495-E527 HydrophobicContact CD-CB 4.26Å; K495-E527 WeakPolarHBondContact CD-O 3.35Å; K495-E527 WeakPolarHBondContact CE-O 3.26Å; K495-E527 HydrophobicContact CG-CB 4.43Å; K495-E527 PolarHBondContact NZ-O 2.86Å; K495-D1653 HydrophobicContact CB-CB 4.04Å; K495-D1653 WeakPolarHBondContact CB-O 3.22Å; K495-D1653 WeakPolarHBondContact CD-O 3.48Å; K495-D1653 HydrophobicContact CG-CB 3.86Å; K495-D1653 WeakPolarHBondContact CG-O 3.28Å; K495-D1654 HydrophobicContact CD-CB 3.91Å; K495-D1654 WeakPolarHBondContact CE-O 3.33Å; K495-D1654 VanDerWaalsContact NZ-C 3.35Å; K495-D1654 PolarHBondContact NZ-O 3.42Å; K495-V1655 HydrophobicContact CD-CG2 4.31Å; K495-V1655 HydrophobicContact CG-CB 4.39Å; K495-V1655 HydrophobicContact CG-CG1 4.38Å; K495-V1655 HydrophobicContact CG-CG2 3.63Å; K495-I1656 VanDerWaalsContact CE-N 3.33Å; K495-I1656 VanDerWaalsContact NZ-N 3.19Å; K495-D1675 WeakPolarHBondContact CE-O 3.44Å; K495-D1675 PolarHBondContact NZ-O 2.94Å; K495-P1676 HydrophobicContact CB-CG 4.3Å |
| 496 | W | 83.6 | Confident | 89.5 | Confident | 76 Ų | 76 | 34.6 Ų | 34.6 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 92.1 | -162.7 | -61.9 | 84.9 | 0 | 0 | 0 | 110.8 | V492 T493 G494 V524 R525 W526 | V492-W496 PolarHBondContact N-O 2.78Å; V492-W496 VanDerWaalsContact N-O 3.17Å; T493-W496 PolarHBondContact N-O 2.89Å; T493-W496 CarbonylContact O-C 3.56Å; T493-W496 VanDerWaalsContact O-CA 3.26Å; T493-W496 WeakPolarHBondContact O-CA 3.35Å; T493-W496 VanDerWaalsContact O-CB 3.23Å; T493-W496 WeakPolarHBondContact O-CB 3.47Å; T493-W496 PolarHBondContact O-N 2.99Å; G494-W496 PolarHBondContact O-N 2.81Å; W496-V524 HydrophobicContact CE3-CG1 3.59Å; W496-V524 HydrophobicContact CZ3-CG1 3.95Å; W496-R525 CarbonylContact C-O 3.52Å; W496-R525 WeakPolarHBondContact CA-O 3.48Å; W496-W526 HydrophobicContact CD2-CB 4.27Å; W496-W526 AromaticContact CD2-CD1 3.93Å; W496-W526 HydrophobicContact CD2-CG 4.34Å; W496-W526 AromaticContact CE2-CD1 3.31Å; W496-W526 AromaticContact CE2-CG 3.85Å; W496-W526 AromaticContact CE2-NE1 3.93Å; W496-W526 HydrophobicContact CE3-CB 4.03Å; W496-W526 HydrophobicContact CH2-CB 3.76Å; W496-W526 HydrophobicContact CH2-CD2 4.3Å; W496-W526 AromaticContact CH2-CG 3.77Å; W496-W526 HydrophobicContact CH2-CG 3.77Å; W496-W526 HydrophobicContact CZ2-CB 4Å; W496-W526 AromaticContact CZ2-CD1 3.39Å; W496-W526 HydrophobicContact CZ2-CD2 4.04Å; W496-W526 AromaticContact CZ2-CG 3.55Å; W496-W526 HydrophobicContact CZ2-CG 3.55Å; W496-W526 AromaticContact CZ2-NE1 3.84Å; W496-W526 HydrophobicContact CZ3-CB 3.78Å; W496-W526 HydrophobicContact CZ3-CG 4.26Å; W496-W526 AromaticContact NE1-CD1 3.5Å; W496-W526 AromaticContact NE1-NE1 3.87Å |
| 497 | W | 89.8 | Confident | 89.5 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 131.3 | 175.3 | -51 | 60.1 | 0 | 0 | 0 | 110 | M384 R424 R426 Q489 Y490 N491 V524 R525 M1678 | M384-W497 HydrophobicContact CE-CG 4.31Å; R424-W497 WeakPolarHBondContact O-CZ3 3.49Å; R426-W497 HydrophobicContact CB-CE3 4.08Å; R426-W497 HydrophobicContact CB-CH2 3.89Å; R426-W497 HydrophobicContact CB-CZ3 3.37Å; R426-W497 HydrophobicContact CG-CZ3 4.44Å; Q489-W497 HydrophobicContact CB-CB 4.43Å; Q489-W497 HydrophobicContact CB-CE3 3.89Å; Y490-W497 CarbonylContact O-C 3.59Å; Y490-W497 WeakPolarHBondContact O-CA 3.13Å; Y490-W497 WeakPolarHBondContact O-CB 3.27Å; N491-W497 HydrophobicContact CB-CD2 3.67Å; N491-W497 HydrophobicContact CB-CE3 3.73Å; N491-W497 HydrophobicContact CB-CG 4.23Å; N491-W497 HydrophobicContact CB-CH2 4.18Å; N491-W497 HydrophobicContact CB-CZ2 4.14Å; N491-W497 HydrophobicContact CB-CZ3 3.97Å; W497-V524 CarbonylContact O-C 3.52Å; W497-V524 WeakPolarHBondContact O-CA 3.15Å; W497-R525 HydrophobicContact CB-CB 3.98Å; W497-R525 HydrophobicContact CB-CG 4.19Å; W497-R525 HydrophobicContact CG-CB 4.43Å; W497-R525 PolarHBondContact N-O 2.9Å; W497-R525 PolarHBondContact O-N 2.67Å; W497-M1678 HydrophobicContact CZ2-CB 4.05Å |
| 498 | G | 89.6 | Confident | 89.5 | Confident | 23 Ų | 23 | 30.3 Ų | 30.3 | 24% | 0.237 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 139.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109 | Q489 Y490 G523 | Q489-G498 CarbonylContact C-O 3.53Å; Q489-G498 WeakPolarHBondContact CA-O 3.09Å; Y490-G498 PolarHBondContact N-O 3.02Å; Y490-G498 PolarHBondContact O-N 2.99Å; G498-G523 CarbonylContact C-O 3.59Å; G498-G523 WeakPolarHBondContact CA-O 3.49Å |
| 499 | A | 92 | Very high | 89.3 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 141.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E487 Y488 Q489 V522 G523 | E487-A499 HydrophobicContact CG-CB 4.37Å; Y488-A499 WeakPolarHBondContact O-CA 3.37Å; Q489-A499 HydrophobicContact CG-CB 4.16Å; A499-V522 CarbonylContact O-C 2.86Å; A499-V522 WeakPolarHBondContact O-CA 3.34Å; A499-G523 PolarHBondContact N-O 3.01Å; A499-G523 PolarHBondContact O-N 3.4Å |
| 500 | V | 92.8 | Very high | 89 | Confident | 75 Ų | 75 | 31.3 Ų | 31.3 | 46% | 0.455 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.5 | 160.2 | -65.1 | 0 | 0 | 0 | 0 | 107.9 | Y488 G521 V522 | Y488-V500 HydrophobicContact CD1-CG2 3.59Å; Y488-V500 HydrophobicContact CE1-CG2 4.45Å; Y488-V500 HydrophobicContact CG-CG2 4.35Å; Y488-V500 PolarHBondContact N-O 2.66Å; Y488-V500 PolarHBondContact O-N 3.32Å; Y488-V500 VanDerWaalsContact O-O 3.12Å; V500-G521 WeakPolarHBondContact CA-O 3.3Å; V500-V522 HydrophobicContact CG1-CG1 4.35Å |
| 501 | F | 95.4 | Very high | 88.6 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 2% | 0.022 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 150.9 | -178.7 | 52.4 | -92.9 | 0 | 0 | 0 | 112.6 | R459 L486 E487 T520 G521 D536 A538 | R459-F501 HydrophobicContact CB-CD2 4.39Å; R459-F501 HydrophobicContact CB-CE2 3.65Å; R459-F501 HydrophobicContact CB-CZ 4.32Å; R459-F501 HydrophobicContact CG-CE2 4.3Å; R459-F501 VanDerWaalsContact CZ-CD2 3.49Å; R459-F501 VanDerWaalsContact CZ-CG 3.47Å; L486-F501 VanDerWaalsContact O-CA 3.26Å; L486-F501 WeakPolarHBondContact O-CA 3.42Å; E487-F501 HydrophobicContact CB-CB 3.83Å; E487-F501 HydrophobicContact CG-CB 4.11Å; F501-T520 VanDerWaalsContact O-CA 3.28Å; F501-T520 WeakPolarHBondContact O-CA 3.18Å; F501-T520 PolarHBondContact O-OG1 2.89Å; F501-G521 PolarHBondContact N-O 2.76Å; F501-G521 VanDerWaalsContact N-O 3.1Å; F501-G521 PolarHBondContact O-N 2.93Å; F501-G521 VanDerWaalsContact O-N 3.11Å; F501-D536 HydrophobicContact CE1-CB 4.04Å; F501-D536 VanDerWaalsContact CE1-CG 3.46Å; F501-D536 WeakPolarHBondContact CE1-OD1 3.19Å; F501-D536 HydrophobicContact CZ-CB 3.89Å; F501-A538 HydrophobicContact CE2-CB 3.71Å; F501-A538 HydrophobicContact CZ-CB 3.86Å |
| 502 | V | 95.1 | Very high | 88.4 | Confident | 58 Ų | 58 | 42 Ų | 42 | 35% | 0.352 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.9 | 161.4 | 60.6 | 0 | 0 | 0 | 0 | 107.9 | L486 T518 G519 | L486-V502 HydrophobicContact CB-CG1 4.19Å; L486-V502 PolarHBondContact N-O 2.88Å; L486-V502 PolarHBondContact O-N 2.79Å; V502-T518 HydrophobicContact CG2-CG2 3.75Å; V502-G519 WeakPolarHBondContact CA-O 3.35Å |
| 503 | D | 95.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.2 | 170.1 | -56.6 | -20 | 0 | 0 | 0 | 107.2 | I458 R459 G484 S485 T518 G519 | I458-D503 HydrophobicContact CB-CB 4.36Å; I458-D503 HydrophobicContact CG2-CB 4.06Å; R459-D503 VanDerWaalsContact CB-OD2 3.31Å; R459-D503 WeakPolarHBondContact CB-OD2 3.5Å; R459-D503 WeakPolarHBondContact CG-OD2 3.15Å; R459-D503 IonicContact CZ-OD1 3.16Å; R459-D503 IonicContact CZ-OD2 3.28Å; R459-D503 PolarHBondContact N-OD2 2.95Å; R459-D503 IonicContact NE-OD1 2.88Å; R459-D503 IonicContact NE-OD2 3.79Å; R459-D503 PolarHBondContact NE-OD2 3.14Å; R459-D503 IonicContact NH2-OD1 2.67Å; R459-D503 PolarHBondContact NH2-OD1 2.68Å; R459-D503 IonicContact NH2-OD2 3.76Å; R459-D503 PolarHBondContact NH2-OD2 2.72Å; G484-D503 CarbonylContact O-C 3.58Å; G484-D503 WeakPolarHBondContact O-CA 3.11Å; S485-D503 VanDerWaalsContact CB-OD1 3.24Å; S485-D503 WeakPolarHBondContact CB-OD1 3.48Å; S485-D503 PolarHBondContact OG-OD1 2.84Å; D503-T518 CarbonylContact O-C 3.58Å; D503-T518 WeakPolarHBondContact O-CA 3.24Å; D503-G519 PolarHBondContact N-O 3.01Å; D503-G519 PolarHBondContact O-N 2.85Å; D503-G519 VanDerWaalsContact O-O 3.12Å |
| 504 | S | 94.8 | Very high | 89.5 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 133.6 | -179.2 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | G484 F516 K517 T518 | G484-S504 PolarHBondContact N-O 2.81Å; G484-S504 PolarHBondContact O-N 3.01Å; S504-F516 WeakPolarHBondContact OG-CD1 3.43Å; S504-K517 WeakPolarHBondContact CA-O 3.5Å; S504-T518 PolarHBondContact OG-OG1 3.25Å |
| 505 | G | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.1 | 172.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I458 I482 K517 | I458-G505 WeakPolarHBondContact CD1-O 3.39Å; I482-G505 CarbonylContact O-C 3.46Å; I482-G505 WeakPolarHBondContact O-CA 3.34Å; G505-K517 PolarHBondContact N-O 2.7Å; G505-K517 PolarHBondContact O-N 3.07Å |
| 506 | E | 94.8 | Very high | 90.6 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 3% | 0.033 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 150.7 | 177.2 | 63.1 | 178.8 | -169.8 | 0 | 0 | 111.2 | L481 I482 V508 S514 D515 F516 | L481-E506 WeakPolarHBondContact CA-O 3.34Å; I482-E506 HydrophobicContact CG2-CG 3.62Å; I482-E506 PolarHBondContact N-O 3.06Å; I482-E506 VanDerWaalsContact N-O 3.08Å; I482-E506 PolarHBondContact O-N 3.1Å; E506-V508 HydrophobicContact CB-CG1 4.16Å; E506-V508 HydrophobicContact CG-CG1 4.36Å; E506-V508 HydrophobicContact CG-CG2 4.41Å; E506-S514 WeakPolarHBondContact OE2-CA 3.39Å; E506-S514 WeakPolarHBondContact OE2-CB 3.42Å; E506-S514 PolarHBondContact OE2-OG 2.9Å; E506-D515 PolarHBondContact OE2-N 3.39Å; E506-F516 HydrophobicContact CB-CG 4.47Å; E506-F516 HydrophobicContact CG-CD2 4.34Å; E506-F516 HydrophobicContact CG-CE1 4.34Å; E506-F516 HydrophobicContact CG-CE2 4.08Å; E506-F516 HydrophobicContact CG-CZ 4.08Å |
| 507 | A | 97 | Very high | 90.9 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 5% | 0.05 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 105.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | A452 I466 P468 A478 K480 L481 | A452-A507 HydrophobicContact CB-CB 4.26Å; I466-A507 HydrophobicContact CG2-CB 4.48Å; I466-A507 WeakPolarHBondContact O-CB 3.32Å; P468-A507 VanDerWaalsContact CD-O 3.31Å; P468-A507 WeakPolarHBondContact CD-O 3.39Å; A478-A507 VanDerWaalsContact CB-C 3.42Å; A478-A507 HydrophobicContact CB-CB 3.68Å; K480-A507 CarbonylContact O-C 2.97Å; K480-A507 WeakPolarHBondContact O-CA 3.12Å; L481-A507 HydrophobicContact CD1-CB 4.02Å |
| 508 | V | 95.6 | Very high | 91.1 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 162.6 | -169.5 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | S479 K480 E506 | S479-V508 PolarHBondContact N-O 2.82Å; K480-V508 HydrophobicContact CB-CG2 4.24Å; K480-V508 PolarHBondContact N-O 2.86Å; K480-V508 PolarHBondContact O-N 2.8Å; E506-V508 HydrophobicContact CB-CG1 4.16Å; E506-V508 HydrophobicContact CG-CG1 4.36Å; E506-V508 HydrophobicContact CG-CG2 4.41Å |
| 509 | S | 90.9 | Very high | 91.2 | Very high | 54 Ų | 54 | 53 Ų | 53 | 38% | 0.378 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -92.8 | -23.4 | 172.9 | -55.2 | 0 | 0 | 0 | 0 | 113.4 | S479 | S479-S509 PolarHBondContact OG-O 3.47Š|
| 510 | D | 86.9 | Confident | 91 | Very high | 42 Ų | 42 | 55.4 Ų | 55.4 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | trans | -140.3 | 114.1 | -178.2 | 179.9 | -4.1 | 0 | 0 | 0 | 108.7 | R512 R513 | D510-R512 PolarHBondContact O-N 2.74Å; D510-R512 VanDerWaalsContact O-N 3.08Å; D510-R512 VanDerWaalsContact OD1-CB 3.29Å; D510-R512 WeakPolarHBondContact OD1-CB 3.43Å; D510-R512 WeakPolarHBondContact OD1-CG 3.23Å; D510-R512 IonicContact OD1-CZ 2.68Å; D510-R512 PolarHBondContact OD1-N 2.86Å; D510-R512 IonicContact OD1-NE 2.73Å; D510-R512 PolarHBondContact OD1-NE 2.8Å; D510-R512 IonicContact OD1-NH2 2.62Å; D510-R512 IonicContact OD2-CZ 2.7Å; D510-R512 IonicContact OD2-NE 3.03Å; D510-R512 PolarHBondContact OD2-NE 2.8Å; D510-R512 VanDerWaalsContact OD2-NE 3.15Å; D510-R512 IonicContact OD2-NH2 3.95Å; D510-R512 PolarHBondContact OD2-NH2 2.79Å; D510-R513 CarbonylContact O-C 3.58Å; D510-R513 PolarHBondContact O-N 3.04Å | ||
| 511 | I | 82.8 | Confident | 90.8 | Very high | 95 Ų | 95 | 52.2 Ų | 52.2 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.2 | -178.1 | -163.8 | 166.8 | 0 | 0 | 0 | 113.3 | W435 R513 | W435-I511 HydrophobicContact CH2-CG2 4.44Å; W435-I511 HydrophobicContact CZ3-CD1 4.3Å; I511-R513 PolarHBondContact O-N 2.83Å |
| 512 | R | 84.1 | Confident | 90.5 | Very high | 211 Ų | 211 | 56.4 Ų | 56.4 | 80% | 0.796 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -9.4 | 171.9 | -54.9 | 169.2 | -63.1 | -175.4 | 5.3 | 112.7 | D510 | D510-R512 PolarHBondContact O-N 2.74Å; D510-R512 VanDerWaalsContact O-N 3.08Å; D510-R512 VanDerWaalsContact OD1-CB 3.29Å; D510-R512 WeakPolarHBondContact OD1-CB 3.43Å; D510-R512 WeakPolarHBondContact OD1-CG 3.23Å; D510-R512 IonicContact OD1-CZ 2.68Å; D510-R512 PolarHBondContact OD1-N 2.86Å; D510-R512 IonicContact OD1-NE 2.73Å; D510-R512 PolarHBondContact OD1-NE 2.8Å; D510-R512 IonicContact OD1-NH2 2.62Å; D510-R512 IonicContact OD2-CZ 2.7Å; D510-R512 IonicContact OD2-NE 3.03Å; D510-R512 PolarHBondContact OD2-NE 2.8Å; D510-R512 VanDerWaalsContact OD2-NE 3.15Å; D510-R512 IonicContact OD2-NH2 3.95Å; D510-R512 PolarHBondContact OD2-NH2 2.79Å |
| 513 | R | 85.3 | Confident | 90.2 | Very high | 197 Ų | 197 | 54 Ų | 54 | 74% | 0.743 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -120.1 | 63.4 | 177.7 | -63.7 | -173.6 | -179.8 | -166.5 | 0.8 | 109.6 | D510 I511 | D510-R513 CarbonylContact O-C 3.58Å; D510-R513 PolarHBondContact O-N 3.04Å; I511-R513 PolarHBondContact O-N 2.83Å |
| 514 | S | 83 | Confident | 89.9 | Confident | 69 Ų | 69 | 56.4 Ų | 56.4 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | trans | -65.1 | 142.8 | -178.7 | 176.4 | 0 | 0 | 0 | 0 | 112.7 | E506 F516 | E506-S514 WeakPolarHBondContact OE2-CA 3.39Å; E506-S514 WeakPolarHBondContact OE2-CB 3.42Å; E506-S514 PolarHBondContact OE2-OG 2.9Å; S514-F516 WeakPolarHBondContact OG-CD2 3.39Å | ||
| 515 | D | 86.7 | Confident | 89.7 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | trans | -143.4 | 64.7 | 174.1 | -176.6 | 30 | 0 | 0 | 0 | 109 | E506 K517 | E506-D515 PolarHBondContact OE2-N 3.39Å; D515-K517 PolarHBondContact O-N 2.62Å; D515-K517 VanDerWaalsContact O-N 3.09Å; D515-K517 WeakPolarHBondContact OD1-CE 3.45Å; D515-K517 IonicContact OD1-NZ 3.91Å; D515-K517 PolarHBondContact OD1-NZ 2.82Å; D515-K517 WeakPolarHBondContact OD2-CE 3.29Å; D515-K517 IonicContact OD2-NZ 3.67Å; D515-K517 PolarHBondContact OD2-NZ 3.29Å; D515-K517 VanDerWaalsContact OD2-NZ 3.16Å | ||
| 516 | F | 91.2 | Very high | 89.2 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | trans | -60.5 | 111.4 | 176.4 | -92.3 | -81.8 | 0 | 0 | 0 | 111.3 | I482 S504 E506 S514 | I482-F516 HydrophobicContact CG2-CE1 4.12Å; I482-F516 HydrophobicContact CG2-CZ 3.7Å; S504-F516 WeakPolarHBondContact OG-CD1 3.43Å; E506-F516 HydrophobicContact CB-CG 4.47Å; E506-F516 HydrophobicContact CG-CD2 4.34Å; E506-F516 HydrophobicContact CG-CE1 4.34Å; E506-F516 HydrophobicContact CG-CE2 4.08Å; E506-F516 HydrophobicContact CG-CZ 4.08Å; S514-F516 WeakPolarHBondContact OG-CD2 3.39Å | ||
| 517 | K | 91.6 | Very high | 88.5 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 11% | 0.109 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 129 | 168.2 | -61.3 | -36.7 | -162.8 | -173.2 | 0 | 108.9 | I458 Y461 I466 S504 G505 D515 D543 | I458-K517 HydrophobicContact CD1-CB 4.31Å; Y461-K517 HydrophobicContact CE1-CB 4.31Å; Y461-K517 HydrophobicContact CE1-CG 4.32Å; Y461-K517 HydrophobicContact CE2-CB 3.85Å; I466-K517 HydrophobicContact CD1-CB 3.83Å; I466-K517 HydrophobicContact CD1-CG 3.99Å; I466-K517 HydrophobicContact CG1-CG 4.32Å; I466-K517 HydrophobicContact CG2-CG 3.9Å; S504-K517 WeakPolarHBondContact CA-O 3.5Å; G505-K517 PolarHBondContact N-O 2.7Å; G505-K517 PolarHBondContact O-N 3.07Å; D515-K517 PolarHBondContact O-N 2.62Å; D515-K517 VanDerWaalsContact O-N 3.09Å; D515-K517 WeakPolarHBondContact OD1-CE 3.45Å; D515-K517 IonicContact OD1-NZ 3.91Å; D515-K517 PolarHBondContact OD1-NZ 2.82Å; D515-K517 WeakPolarHBondContact OD2-CE 3.29Å; D515-K517 IonicContact OD2-NZ 3.67Å; D515-K517 PolarHBondContact OD2-NZ 3.29Å; D515-K517 VanDerWaalsContact OD2-NZ 3.16Å; K517-D543 VanDerWaalsContact CD-OD2 3.3Å; K517-D543 WeakPolarHBondContact CD-OD2 3.41Å; K517-D543 VanDerWaalsContact CE-OD2 3.27Å; K517-D543 WeakPolarHBondContact CE-OD2 3.39Å; K517-D543 IonicContact NZ-OD1 2.76Å; K517-D543 PolarHBondContact NZ-OD1 3.31Å; K517-D543 IonicContact NZ-OD2 2.64Å; K517-D543 PolarHBondContact NZ-OD2 2.88Å |
| 518 | T | 92.9 | Very high | 87.2 | Confident | 36 Ų | 36 | 57 Ų | 57 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.9 | 179.8 | -59.2 | 0 | 0 | 0 | 0 | 109.1 | V502 D503 S504 P540 V541 | V502-T518 HydrophobicContact CG2-CG2 3.75Å; D503-T518 CarbonylContact O-C 3.58Å; D503-T518 WeakPolarHBondContact O-CA 3.24Å; S504-T518 PolarHBondContact OG-OG1 3.25Å; T518-P540 CarbonylContact O-C 3.47Å; T518-P540 WeakPolarHBondContact O-CA 3.04Å; T518-V541 HydrophobicContact CG2-CB 4.27Å; T518-V541 PolarHBondContact O-N 3.17Å |
| 519 | G | 91.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 141.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R459 V502 D503 V539 | R459-G519 WeakPolarHBondContact O-CA 3.24Å; V502-G519 WeakPolarHBondContact CA-O 3.35Å; D503-G519 PolarHBondContact N-O 3.01Å; D503-G519 PolarHBondContact O-N 2.85Å; D503-G519 VanDerWaalsContact O-O 3.12Å; G519-V539 WeakPolarHBondContact CA-O 3.36Å |
| 520 | T | 89.2 | Confident | 84.4 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 155.4 | 170.7 | -161.1 | 0 | 0 | 0 | 0 | 110.2 | F501 A538 V539 V541 | F501-T520 VanDerWaalsContact O-CA 3.28Å; F501-T520 WeakPolarHBondContact O-CA 3.18Å; F501-T520 PolarHBondContact O-OG1 2.89Å; T520-A538 WeakPolarHBondContact O-CA 3.47Å; T520-V539 PolarHBondContact N-O 2.77Å; T520-V539 PolarHBondContact O-N 3.45Å; T520-V541 HydrophobicContact CG2-CG2 3.38Å |
| 521 | G | 88.6 | Confident | 83.3 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 9% | 0.093 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 167.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V500 F501 F537 | V500-G521 WeakPolarHBondContact CA-O 3.3Å; F501-G521 PolarHBondContact N-O 2.76Å; F501-G521 VanDerWaalsContact N-O 3.1Å; F501-G521 PolarHBondContact O-N 2.93Å; F501-G521 VanDerWaalsContact O-N 3.11Å; G521-F537 CarbonylContact C-O 3.56Å; G521-F537 WeakPolarHBondContact CA-O 3.19Å |
| 522 | V | 88 | Confident | 83.1 | Confident | 92 Ų | 92 | 58.5 Ų | 58.5 | 56% | 0.558 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.8 | 170.2 | -63.3 | 0 | 0 | 0 | 0 | 108.3 | A499 V500 F537 | A499-V522 CarbonylContact O-C 2.86Å; A499-V522 WeakPolarHBondContact O-CA 3.34Å; V500-V522 HydrophobicContact CG1-CG1 4.35Å; V522-F537 HydrophobicContact CG2-CB 4.33Å; V522-F537 PolarHBondContact N-O 2.87Å; V522-F537 PolarHBondContact O-N 3.39Å |
| 523 | G | 89.3 | Confident | 83 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 166.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G498 A499 L535 D536 | G498-G523 CarbonylContact C-O 3.59Å; G498-G523 WeakPolarHBondContact CA-O 3.49Å; A499-G523 PolarHBondContact N-O 3.01Å; A499-G523 PolarHBondContact O-N 3.4Å; G523-L535 CarbonylContact C-O 3.48Å; G523-L535 VanDerWaalsContact CA-O 3.27Å; G523-L535 WeakPolarHBondContact CA-O 3.49Å; G523-D536 VanDerWaalsContact CA-OD1 3.31Å; G523-D536 WeakPolarHBondContact CA-OD1 3.3Å |
| 524 | V | 89.1 | Confident | 83.1 | Confident | 52 Ų | 52 | 47.1 Ų | 47.1 | 32% | 0.315 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133.8 | 171.3 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | W496 W497 L535 | W496-V524 HydrophobicContact CE3-CG1 3.59Å; W496-V524 HydrophobicContact CZ3-CG1 3.95Å; W497-V524 CarbonylContact O-C 3.52Å; W497-V524 WeakPolarHBondContact O-CA 3.15Å; V524-L535 PolarHBondContact N-O 3Å; V524-L535 PolarHBondContact O-N 2.79Å |
| 525 | R | 90 | Very high | 83.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.2 | 163.7 | -46.9 | -67.5 | 162 | -111.7 | 7.6 | 106.3 | M384 E487 Q489 W496 W497 D536 | M384-R525 HydrophobicContact CE-CB 3.53Å; M384-R525 HydrophobicContact CE-CG 3.78Å; E487-R525 VanDerWaalsContact CD-NH2 3.31Å; E487-R525 IonicContact OE1-CZ 3.65Å; E487-R525 IonicContact OE1-NE 2.79Å; E487-R525 PolarHBondContact OE1-NE 3.25Å; E487-R525 IonicContact OE1-NH2 3.45Å; E487-R525 PolarHBondContact OE1-NH2 2.85Å; E487-R525 IonicContact OE2-NH2 2.73Å; E487-R525 PolarHBondContact OE2-NH2 2.88Å; Q489-R525 HydrophobicContact CG-CG 4.47Å; W496-R525 CarbonylContact C-O 3.52Å; W496-R525 WeakPolarHBondContact CA-O 3.48Å; W497-R525 HydrophobicContact CB-CB 3.98Å; W497-R525 HydrophobicContact CB-CG 4.19Å; W497-R525 HydrophobicContact CG-CB 4.43Å; W497-R525 PolarHBondContact N-O 2.9Å; W497-R525 PolarHBondContact O-N 2.67Å; R525-D536 IonicContact CZ-OD1 3.53Å; R525-D536 IonicContact CZ-OD2 3.56Å; R525-D536 IonicContact NH1-OD1 2.7Å; R525-D536 PolarHBondContact NH1-OD1 2.77Å; R525-D536 IonicContact NH1-OD2 2.7Å; R525-D536 VanDerWaalsContact NH2-CG 3.28Å; R525-D536 IonicContact NH2-OD1 2.62Å; R525-D536 PolarHBondContact NH2-OD1 3.23Å; R525-D536 IonicContact NH2-OD2 3.4Å; R525-D536 PolarHBondContact NH2-OD2 2.69Å |
| 526 | W | 85.8 | Confident | 83.3 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 173.4 | 148 | -174.4 | 50.2 | 0 | 0 | 0 | 108 | K495 W496 P532 I533 D1653 D1654 | K495-W526 VanDerWaalsContact CB-CD1 3.45Å; W496-W526 HydrophobicContact CD2-CB 4.27Å; W496-W526 AromaticContact CD2-CD1 3.93Å; W496-W526 HydrophobicContact CD2-CG 4.34Å; W496-W526 AromaticContact CE2-CD1 3.31Å; W496-W526 AromaticContact CE2-CG 3.85Å; W496-W526 AromaticContact CE2-NE1 3.93Å; W496-W526 HydrophobicContact CE3-CB 4.03Å; W496-W526 HydrophobicContact CH2-CB 3.76Å; W496-W526 HydrophobicContact CH2-CD2 4.3Å; W496-W526 AromaticContact CH2-CG 3.77Å; W496-W526 HydrophobicContact CH2-CG 3.77Å; W496-W526 HydrophobicContact CZ2-CB 4Å; W496-W526 AromaticContact CZ2-CD1 3.39Å; W496-W526 HydrophobicContact CZ2-CD2 4.04Å; W496-W526 AromaticContact CZ2-CG 3.55Å; W496-W526 HydrophobicContact CZ2-CG 3.55Å; W496-W526 AromaticContact CZ2-NE1 3.84Å; W496-W526 HydrophobicContact CZ3-CB 3.78Å; W496-W526 HydrophobicContact CZ3-CG 4.26Å; W496-W526 AromaticContact NE1-CD1 3.5Å; W496-W526 AromaticContact NE1-NE1 3.87Å; W526-P532 CarbonylContact O-C 3.58Å; W526-P532 WeakPolarHBondContact O-CA 3.49Å; W526-I533 CarbonylContact C-O 3.37Å; W526-I533 HydrophobicContact CE3-CB 4.18Å; W526-I533 HydrophobicContact CE3-CD1 3.84Å; W526-I533 HydrophobicContact CE3-CG1 4.37Å; W526-I533 HydrophobicContact CZ3-CD1 3.79Å; W526-I533 PolarHBondContact N-O 3.44Å; W526-I533 PolarHBondContact O-N 3.35Å; W526-D1653 PolarHBondContact NE1-O 2.88Å; W526-D1654 HydrophobicContact CZ2-CB 3.82Å; W526-D1654 WeakPolarHBondContact CZ2-OD2 3.19Å |
| 527 | E | 80.6 | Confident | 83 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 54.2 | -156.5 | -174.4 | -163.1 | 113.5 | 0 | 0 | 107.4 | M384 K495 S1674 D1675 P1676 A1677 M1678 | M384-E527 HydrophobicContact CB-CG 4.42Å; K495-E527 HydrophobicContact CB-CB 4.06Å; K495-E527 HydrophobicContact CD-CB 4.26Å; K495-E527 WeakPolarHBondContact CD-O 3.35Å; K495-E527 WeakPolarHBondContact CE-O 3.26Å; K495-E527 HydrophobicContact CG-CB 4.43Å; K495-E527 PolarHBondContact NZ-O 2.86Å; E527-S1674 WeakPolarHBondContact OE1-CB 3.27Å; E527-S1674 PolarHBondContact OE1-OG 3.08Å; E527-D1675 VanDerWaalsContact CD-C 3.44Å; E527-P1676 HydrophobicContact CB-CB 3.34Å; E527-P1676 HydrophobicContact CB-CG 2.68Å; E527-P1676 HydrophobicContact CG-CB 2.28Å; E527-P1676 HydrophobicContact CG-CG 2.31Å; E527-P1676 WeakPolarHBondContact OE1-CA 3.38Å; E527-P1676 WeakPolarHBondContact OE1-CB 3.47Å; E527-P1676 WeakPolarHBondContact OE1-CD 3.32Å; E527-P1676 WeakPolarHBondContact OE1-CG 3.47Å; E527-P1676 WeakPolarHBondContact OE2-CA 3.37Å; E527-P1676 WeakPolarHBondContact OE2-CB 3.28Å; E527-P1676 VanDerWaalsContact OE2-CD 3.3Å; E527-P1676 WeakPolarHBondContact OE2-CD 3.27Å; E527-P1676 WeakPolarHBondContact OE2-CG 3.41Å; E527-A1677 PolarHBondContact OE1-N 2.75Å; E527-A1677 VanDerWaalsContact OE2-C 3.24Å; E527-A1677 PolarHBondContact OE2-N 2.81Å; E527-M1678 WeakPolarHBondContact OE1-CE 3.31Å; E527-M1678 WeakPolarHBondContact OE2-CE 3.27Å; E527-M1678 PolarHBondContact OE2-N 2.94Å; E527-M1678 VanDerWaalsContact OE2-N 3.15Å |
| 528 | S | 69.4 | Low | 82.8 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 160.3 | -173.9 | 70.1 | 0 | 0 | 0 | 0 | 112.4 | V530 G531 | S528-V530 PolarHBondContact O-N 2.89Å; S528-V530 VanDerWaalsContact OG-CG2 3.27Å; S528-V530 WeakPolarHBondContact OG-CG2 3.14Å; S528-G531 PolarHBondContact N-O 3.31Å; S528-G531 VanDerWaalsContact N-O 3.1Å; S528-G531 PolarHBondContact O-N 3.31Å; S528-G531 PolarHBondContact OG-O 3.36Å |
| 529 | P | 57.4 | Low | 82.3 | Confident | 51 Ų | 51 | 51 Ų | 51 | 33% | 0.331 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 1 | 168.9 | -33.7 | 39.4 | 0 | 0 | 0 | 119.1 | I1656 | P529-I1656 HydrophobicContact CB-CD1 3.48Å; P529-I1656 VanDerWaalsContact CB-CD1 3.48Å; P529-I1656 HydrophobicContact CB-CG1 4.04Å; P529-I1656 HydrophobicContact CG-CD1 3.67Å; P529-I1656 HydrophobicContact CG-CG1 3.9Å |
| 530 | V | 69.4 | Low | 82 | Confident | 124 Ų | 124 | 51.1 Ų | 51.1 | 75% | 0.752 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.3 | 22.7 | -179 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | S528 D1675 | S528-V530 PolarHBondContact O-N 2.89Å; S528-V530 VanDerWaalsContact OG-CG2 3.27Å; S528-V530 WeakPolarHBondContact OG-CG2 3.14Å; V530-D1675 PolarHBondContact N-OD2 2.87Å |
| 531 | G | 64 | Low | 81.5 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 101 | -179.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | S528 I533 D1675 | S528-G531 PolarHBondContact N-O 3.31Å; S528-G531 VanDerWaalsContact N-O 3.1Å; S528-G531 PolarHBondContact O-N 3.31Å; S528-G531 PolarHBondContact OG-O 3.36Å; G531-I533 PolarHBondContact O-N 3.05Å; G531-D1675 WeakPolarHBondContact CA-OD1 3.42Å; G531-D1675 PolarHBondContact N-OD1 2.84Å; G531-D1675 PolarHBondContact N-OD2 2.82Å |
| 532 | P | 79.3 | Confident | 80.3 | Confident | 51 Ų | 51 | 55.1 Ų | 55.1 | 33% | 0.331 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 123.2 | -170.2 | 27.5 | -34.3 | 0 | 0 | 0 | 114.6 | L383 M384 W526 | L383-P532 WeakPolarHBondContact O-CD 3.12Å; M384-P532 HydrophobicContact CB-CB 3.84Å; M384-P532 HydrophobicContact CB-CG 3.71Å; M384-P532 HydrophobicContact CE-CB 4.43Å; M384-P532 HydrophobicContact CG-CB 3.63Å; M384-P532 HydrophobicContact CG-CG 3.68Å; W526-P532 CarbonylContact O-C 3.58Å; W526-P532 WeakPolarHBondContact O-CA 3.49Å |
| 533 | I | 81.7 | Confident | 79.1 | Confident | 86 Ų | 86 | 52.1 Ų | 52.1 | 44% | 0.441 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126.9 | 174.2 | -62.9 | -172.6 | 0 | 0 | 0 | 108.5 | W526 G531 | W526-I533 CarbonylContact C-O 3.37Å; W526-I533 HydrophobicContact CE3-CB 4.18Å; W526-I533 HydrophobicContact CE3-CD1 3.84Å; W526-I533 HydrophobicContact CE3-CG1 4.37Å; W526-I533 HydrophobicContact CZ3-CD1 3.79Å; W526-I533 PolarHBondContact N-O 3.44Å; W526-I533 PolarHBondContact O-N 3.35Å; G531-I533 PolarHBondContact O-N 3.05Å |
| 534 | K | 85.9 | Confident | 77.3 | Confident | 83 Ų | 83 | 61 Ų | 61 | 36% | 0.361 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.5 | -172.5 | -60.9 | -162.2 | 168.6 | -152.8 | 0 | 111.7 | E487 | E487-K534 IonicContact OE1-NZ 2.8Å; E487-K534 PolarHBondContact OE1-NZ 3.38Å; E487-K534 IonicContact OE2-NZ 2.71Å; E487-K534 PolarHBondContact OE2-NZ 2.88Å |
| 535 | L | 87.8 | Confident | 75.8 | Confident | 100 Ų | 100 | 65.3 Ų | 65.3 | 52% | 0.524 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 112.2 | 164.1 | 178.5 | 65.5 | 0 | 0 | 0 | 107.3 | G523 V524 F537 | G523-L535 CarbonylContact C-O 3.48Å; G523-L535 VanDerWaalsContact CA-O 3.27Å; G523-L535 WeakPolarHBondContact CA-O 3.49Å; V524-L535 PolarHBondContact N-O 3Å; V524-L535 PolarHBondContact O-N 2.79Å; L535-F537 HydrophobicContact CD1-CE2 4.38Å; L535-F537 HydrophobicContact CD1-CZ 4.42Å; L535-F537 HydrophobicContact CD2-CE2 3.92Å; L535-F537 HydrophobicContact CD2-CZ 4.33Å; L535-F537 HydrophobicContact CG-CE2 3.91Å; L535-F537 HydrophobicContact CG-CZ 4.4Å |
| 536 | D | 87.2 | Confident | 74 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.6 | -179.4 | -81.4 | -12.5 | 0 | 0 | 0 | 110.4 | R459 F501 G523 R525 | R459-D536 VanDerWaalsContact CD-OD2 3.24Å; R459-D536 WeakPolarHBondContact CD-OD2 3.25Å; R459-D536 IonicContact CZ-OD2 3.97Å; R459-D536 IonicContact NE-OD2 3.24Å; R459-D536 IonicContact NH1-OD2 2.74Å; R459-D536 PolarHBondContact NH1-OD2 2.87Å; F501-D536 HydrophobicContact CE1-CB 4.04Å; F501-D536 VanDerWaalsContact CE1-CG 3.46Å; F501-D536 WeakPolarHBondContact CE1-OD1 3.19Å; F501-D536 HydrophobicContact CZ-CB 3.89Å; G523-D536 VanDerWaalsContact CA-OD1 3.31Å; G523-D536 WeakPolarHBondContact CA-OD1 3.3Å; R525-D536 IonicContact CZ-OD1 3.53Å; R525-D536 IonicContact CZ-OD2 3.56Å; R525-D536 IonicContact NH1-OD1 2.7Å; R525-D536 PolarHBondContact NH1-OD1 2.77Å; R525-D536 IonicContact NH1-OD2 2.7Å; R525-D536 VanDerWaalsContact NH2-CG 3.28Å; R525-D536 IonicContact NH2-OD1 2.62Å; R525-D536 PolarHBondContact NH2-OD1 3.23Å; R525-D536 IonicContact NH2-OD2 3.4Å; R525-D536 PolarHBondContact NH2-OD2 2.69Å |
| 537 | F | 85.5 | Confident | 71.6 | Confident | 133 Ų | 133 | 75.6 Ų | 75.6 | 58% | 0.583 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 113.5 | 167.5 | -66.1 | -84 | 0 | 0 | 0 | 108 | G521 V522 L535 | G521-F537 CarbonylContact C-O 3.56Å; G521-F537 WeakPolarHBondContact CA-O 3.19Å; V522-F537 HydrophobicContact CG2-CB 4.33Å; V522-F537 PolarHBondContact N-O 2.87Å; V522-F537 PolarHBondContact O-N 3.39Å; L535-F537 HydrophobicContact CD1-CE2 4.38Å; L535-F537 HydrophobicContact CD1-CZ 4.42Å; L535-F537 HydrophobicContact CD2-CE2 3.92Å; L535-F537 HydrophobicContact CD2-CZ 4.33Å; L535-F537 HydrophobicContact CG-CE2 3.91Å; L535-F537 HydrophobicContact CG-CZ 4.4Å |
| 538 | A | 85.8 | Confident | 69.4 | Low | 28 Ų | 28 | 77.4 Ų | 77.4 | 23% | 0.231 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R459 G460 F501 T520 | R459-A538 HydrophobicContact CB-CB 3.67Å; G460-A538 VanDerWaalsContact N-CB 3.34Å; F501-A538 HydrophobicContact CE2-CB 3.71Å; F501-A538 HydrophobicContact CZ-CB 3.86Å; T520-A538 WeakPolarHBondContact O-CA 3.47Å |
| 539 | V | 83.4 | Confident | 67.6 | Low | 84 Ų | 84 | 86.1 Ų | 86.1 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 146.7 | 177.6 | -65.7 | 0 | 0 | 0 | 0 | 110.3 | G519 T520 | G519-V539 WeakPolarHBondContact CA-O 3.36Å; T520-V539 PolarHBondContact N-O 2.77Å; T520-V539 PolarHBondContact O-N 3.45Å |
| 540 | P | 84.9 | Confident | 66.4 | Low | 4 Ų | 4 | 87 Ų | 87 | 3% | 0.026 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 152 | 166.2 | -31.3 | 41.8 | 0 | 0 | 0 | 113.5 | Y461 T518 D543 E546 | Y461-P540 HydrophobicContact CD1-CG 4.2Å; Y461-P540 HydrophobicContact CD2-CG 4.16Å; Y461-P540 HydrophobicContact CE1-CB 4.2Å; Y461-P540 HydrophobicContact CE1-CG 3.87Å; Y461-P540 HydrophobicContact CE2-CB 3.94Å; Y461-P540 HydrophobicContact CE2-CG 3.81Å; Y461-P540 HydrophobicContact CG-CG 4.35Å; T518-P540 CarbonylContact O-C 3.47Å; T518-P540 WeakPolarHBondContact O-CA 3.04Å; P540-D543 HydrophobicContact CB-CB 4.49Å; P540-E546 HydrophobicContact CB-CB 4.04Å; P540-E546 WeakPolarHBondContact CD-OE2 3.4Å; P540-E546 HydrophobicContact CG-CB 4.28Å; P540-E546 HydrophobicContact CG-CG 4.47Å; P540-E546 WeakPolarHBondContact CG-OE2 3.41Å |
| 541 | V | 78.6 | Confident | 65 | Low | 55 Ų | 55 | 86.7 Ų | 86.7 | 33% | 0.333 | 49% | 0.488 | S | S | . | . | trans | -126.1 | 120.8 | -178.1 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | T518 T520 D543 | T518-V541 HydrophobicContact CG2-CB 4.27Å; T518-V541 PolarHBondContact O-N 3.17Å; T520-V541 HydrophobicContact CG2-CG2 3.38Å; V541-D543 PolarHBondContact O-N 3.19Å; V541-D543 VanDerWaalsContact O-N 3.07Å | ||
| 542 | A | 62.9 | Low | 63.7 | Low | 90 Ų | 90 | 92.3 Ų | 92.3 | 74% | 0.744 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 56.4 | 18.6 | 176 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 543 | D | 62.7 | Low | 61.7 | Low | 30 Ų | 30 | 97 Ų | 97 | 16% | 0.16 | 54% | 0.541 | C | S | . | . | trans | -65 | 153.9 | 163.9 | -143.7 | -26.3 | 0 | 0 | 0 | 109.7 | Y461 K517 P540 V541 D545 | Y461-D543 WeakPolarHBondContact CE1-OD2 3.41Å; Y461-D543 PolarHBondContact OH-OD2 2.85Å; K517-D543 VanDerWaalsContact CD-OD2 3.3Å; K517-D543 WeakPolarHBondContact CD-OD2 3.41Å; K517-D543 VanDerWaalsContact CE-OD2 3.27Å; K517-D543 WeakPolarHBondContact CE-OD2 3.39Å; K517-D543 IonicContact NZ-OD1 2.76Å; K517-D543 PolarHBondContact NZ-OD1 3.31Å; K517-D543 IonicContact NZ-OD2 2.64Å; K517-D543 PolarHBondContact NZ-OD2 2.88Å; P540-D543 HydrophobicContact CB-CB 4.49Å; V541-D543 PolarHBondContact O-N 3.19Å; V541-D543 VanDerWaalsContact O-N 3.07Å; D543-D545 VanDerWaalsContact C-N 3.32Å | ||
| 544 | K | 52.8 | Low | 59.6 | Low | 192 Ų | 192 | 97.5 Ų | 97.5 | 84% | 0.835 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -80 | -20.7 | 179.4 | -75.1 | -179.3 | -179.6 | 170.9 | 0 | 113 | ||
| 545 | D | 57.6 | Low | 57.3 | Low | 143 Ų | 143 | 99.2 Ų | 99.2 | 77% | 0.765 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -98.4 | -6.6 | -175.2 | -56.8 | -31.7 | 0 | 0 | 0 | 112.8 | D543 | D543-D545 VanDerWaalsContact C-N 3.32Š|
| 546 | E | 51 | Low | 55.1 | Low | 96 Ų | 96 | 101.4 Ų | 101.4 | 45% | 0.449 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -139.4 | 158.4 | 177.1 | -72.4 | -161.2 | -136.9 | 0 | 0 | 112.8 | P540 | P540-E546 HydrophobicContact CB-CB 4.04Å; P540-E546 WeakPolarHBondContact CD-OE2 3.4Å; P540-E546 HydrophobicContact CG-CB 4.28Å; P540-E546 HydrophobicContact CG-CG 4.47Å; P540-E546 WeakPolarHBondContact CG-OE2 3.41Å |
| 547 | H | 35 | Very low | 52.9 | Low | 180 Ų | 180 | 105.6 Ų | 105.6 | 83% | 0.833 | 59% | 0.594 | S | S | * | * | trans | -124.2 | 120.1 | -165.2 | -62.8 | -19.1 | 0 | 0 | 0 | 114.4 | ||||
| 548 | G | 36.2 | Very low | 50.8 | Low | 39 Ų | 39 | 104.5 Ų | 104.5 | 40% | 0.402 | 59% | 0.593 | S | S | . | * | trans | -166.6 | 144.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 549 | L | 30.2 | Very low | 48.8 | Very low | 188 Ų | 188 | 109.5 Ų | 109.5 | 98% | 0.984 | 62% | 0.615 | S | S | * | * | trans | -151 | 121.6 | -164.3 | -158.7 | 125.2 | 0 | 0 | 0 | 115.5 | ||||
| 550 | G | 33.6 | Very low | 47.3 | Very low | 70 Ų | 70 | 108 Ų | 108 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | trans | 118.8 | 91.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 551 | V | 38.9 | Very low | 45.7 | Very low | 117 Ų | 117 | 110.1 Ų | 110.1 | 71% | 0.709 | 63% | 0.632 | S | S | * | * | trans | -138.3 | -17.5 | 169.3 | -176.6 | 0 | 0 | 0 | 0 | 114.6 | I553 | V551-I553 VanDerWaalsContact C-N 3.31Å; V551-I553 PolarHBondContact O-N 2.94Å | ||
| 552 | V | 36.9 | Very low | 44.5 | Very low | 125 Ų | 125 | 111.3 Ų | 111.3 | 76% | 0.758 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -59.9 | -23.8 | -160.1 | 178.6 | 0 | 0 | 0 | 0 | 116.7 | V554 | V552-V554 VanDerWaalsContact C-N 3.27Å; V552-V554 PolarHBondContact O-N 3Å |
| 553 | I | 36.6 | Very low | 44 | Very low | 148 Ų | 148 | 110.4 Ų | 110.4 | 76% | 0.759 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -65.5 | -23.9 | -170 | -70.1 | 173.4 | 0 | 0 | 0 | 113.8 | V551 I555 | V551-I553 VanDerWaalsContact C-N 3.31Å; V551-I553 PolarHBondContact O-N 2.94Å; I553-I555 PolarHBondContact O-N 3.23Å |
| 554 | V | 38.8 | Very low | 44.4 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -67.3 | -31.6 | -171.7 | -177 | 0 | 0 | 0 | 0 | 113.6 | V552 L556 | V552-V554 VanDerWaalsContact C-N 3.27Å; V552-V554 PolarHBondContact O-N 3Å; V554-L556 PolarHBondContact O-N 3.43Å |
| 555 | I | 37.3 | Very low | 44.9 | Very low | 119 Ų | 119 | 106.5 Ų | 106.5 | 61% | 0.61 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -37.2 | -166.9 | -61.4 | 175.4 | 0 | 0 | 0 | 112.8 | I553 L557 L558 | I553-I555 PolarHBondContact O-N 3.23Å; I555-L557 VanDerWaalsContact C-N 3.32Å; I555-L557 PolarHBondContact O-N 3.42Å; I555-L558 VanDerWaalsContact O-CB 3.31Å; I555-L558 WeakPolarHBondContact O-CB 3.46Å; I555-L558 PolarHBondContact O-N 2.69Å; I555-L558 VanDerWaalsContact O-N 3.14Å |
| 556 | L | 41.2 | Very low | 45.1 | Very low | 146 Ų | 146 | 103.6 Ų | 103.6 | 76% | 0.764 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.3 | -24.9 | -174.2 | -76.4 | 169 | 0 | 0 | 0 | 113.9 | V554 L558 | V554-L556 PolarHBondContact O-N 3.43Å; L556-L558 PolarHBondContact O-N 2.81Å |
| 557 | L | 41.8 | Very low | 45.7 | Very low | 134 Ų | 134 | 102.3 Ų | 102.3 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.9 | -19.8 | 174.2 | -75.4 | 163.4 | 0 | 0 | 0 | 112.9 | I555 S561 | I555-L557 VanDerWaalsContact C-N 3.32Å; I555-L557 PolarHBondContact O-N 3.42Å; L557-S561 PolarHBondContact O-OG 3.43Å |
| 558 | L | 40.8 | Very low | 47.6 | Very low | 110 Ų | 110 | 96.2 Ų | 96.2 | 58% | 0.576 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -82.4 | -32.8 | -171.7 | -139.9 | 160.9 | 0 | 0 | 0 | 112.4 | I555 L556 S561 | I555-L558 VanDerWaalsContact O-CB 3.31Å; I555-L558 WeakPolarHBondContact O-CB 3.46Å; I555-L558 PolarHBondContact O-N 2.69Å; I555-L558 VanDerWaalsContact O-N 3.14Å; L556-L558 PolarHBondContact O-N 2.81Å; L558-S561 WeakPolarHBondContact CA-OG 3.45Å; L558-S561 PolarHBondContact O-OG 2.93Å |
| 559 | L | 43.2 | Very low | 49.2 | Very low | 132 Ų | 132 | 98.4 Ų | 98.4 | 69% | 0.691 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.4 | -41.3 | 176.2 | -78.6 | 167 | 0 | 0 | 0 | 112.9 | S561 V562 A563 | L559-S561 VanDerWaalsContact C-N 3.28Å; L559-S561 PolarHBondContact O-N 3.29Å; L559-V562 PolarHBondContact O-N 2.65Å; L559-A563 PolarHBondContact O-N 3.23Å |
| 560 | G | 52.1 | Low | 51.3 | Low | 52 Ų | 52 | 92.8 Ų | 92.8 | 54% | 0.536 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.1 | -31.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F564 | G560-F564 PolarHBondContact O-N 3.03Å |
| 561 | S | 52.7 | Low | 53.1 | Low | 50 Ų | 50 | 89.5 Ų | 89.5 | 35% | 0.35 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.6 | -40.1 | 177.3 | 37.9 | 0 | 0 | 0 | 0 | 112.6 | L557 L558 L559 A563 F564 L565 | L557-S561 PolarHBondContact O-OG 3.43Å; L558-S561 WeakPolarHBondContact CA-OG 3.45Å; L558-S561 PolarHBondContact O-OG 2.93Å; L559-S561 VanDerWaalsContact C-N 3.28Å; L559-S561 PolarHBondContact O-N 3.29Å; S561-A563 PolarHBondContact O-N 2.81Å; S561-F564 PolarHBondContact O-N 2.8Å; S561-L565 WeakPolarHBondContact O-CB 3.31Å; S561-L565 WeakPolarHBondContact O-CD1 3.26Å; S561-L565 WeakPolarHBondContact O-CG 3.46Å; S561-L565 PolarHBondContact O-N 2.79Å |
| 562 | V | 52.1 | Low | 54.9 | Low | 80 Ų | 80 | 84.1 Ų | 84.1 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 112.2 | L559 F564 L565 V566 | L559-V562 PolarHBondContact O-N 2.65Å; V562-F564 PolarHBondContact O-N 3.07Å; V562-L565 PolarHBondContact O-N 3.22Å; V562-V566 PolarHBondContact O-N 2.9Å; V562-V566 VanDerWaalsContact O-N 3.14Å |
| 563 | A | 53.6 | Low | 56.8 | Low | 70 Ų | 70 | 81 Ų | 81 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L559 S561 G567 | L559-A563 PolarHBondContact O-N 3.23Å; S561-A563 PolarHBondContact O-N 2.81Å; A563-G567 PolarHBondContact O-N 2.81Å; A563-G567 VanDerWaalsContact O-N 3.11Å |
| 564 | F | 70.3 | Confident | 58.6 | Low | 95 Ų | 95 | 78.5 Ų | 78.5 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 173.2 | 170.1 | -99.9 | 0 | 0 | 0 | 111.8 | G560 S561 V562 V566 T568 G571 | G560-F564 PolarHBondContact O-N 3.03Å; S561-F564 PolarHBondContact O-N 2.8Å; V562-F564 PolarHBondContact O-N 3.07Å; F564-V566 PolarHBondContact O-N 2.9Å; F564-T568 HydrophobicContact CD2-CG2 4.17Å; F564-T568 PolarHBondContact O-N 2.87Å; F564-T568 PolarHBondContact O-OG1 2.81Å; F564-G571 WeakPolarHBondContact O-CA 3.49Å |
| 565 | L | 63.8 | Low | 60.3 | Low | 46 Ų | 46 | 76.2 Ų | 76.2 | 24% | 0.241 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | -177.2 | -80.2 | 168.4 | 0 | 0 | 0 | 113.2 | S561 V562 G571 L572 L574 V575 | S561-L565 WeakPolarHBondContact O-CB 3.31Å; S561-L565 WeakPolarHBondContact O-CD1 3.26Å; S561-L565 WeakPolarHBondContact O-CG 3.46Å; S561-L565 PolarHBondContact O-N 2.79Å; V562-L565 PolarHBondContact O-N 3.22Å; L565-G571 CarbonylContact O-C 3.55Å; L565-L572 WeakPolarHBondContact O-CA 3.27Å; L565-L572 PolarHBondContact O-N 2.73Å; L565-L574 HydrophobicContact CD2-CB 4.18Å; L565-L574 HydrophobicContact CD2-CD2 3.73Å; L565-V575 HydrophobicContact CB-CG2 3.62Å; L565-V575 HydrophobicContact CD2-CG2 3.71Å; L565-V575 HydrophobicContact CG-CG2 4.2Å; L565-V575 VanDerWaalsContact O-CG2 3.31Å; L565-V575 WeakPolarHBondContact O-CG2 3.49Å |
| 566 | V | 60.4 | Low | 62.2 | Low | 82 Ų | 82 | 72.2 Ų | 72.2 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -90.5 | -33.7 | -176 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | V562 F564 | V562-V566 PolarHBondContact O-N 2.9Å; V562-V566 VanDerWaalsContact O-N 3.14Å; F564-V566 PolarHBondContact O-N 2.9Å |
| 567 | G | 64.8 | Low | 63.7 | Low | 69 Ų | 69 | 72.6 Ų | 72.6 | 71% | 0.711 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -91.6 | -10.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | A563 | A563-G567 PolarHBondContact O-N 2.81Å; A563-G567 VanDerWaalsContact O-N 3.11Å |
| 568 | T | 73.4 | Confident | 65 | Low | 52 Ų | 52 | 67.8 Ų | 67.8 | 32% | 0.319 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -120 | 148.4 | -178 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | F564 S570 G571 L572 | F564-T568 HydrophobicContact CD2-CG2 4.17Å; F564-T568 PolarHBondContact O-N 2.87Å; F564-T568 PolarHBondContact O-OG1 2.81Å; T568-S570 VanDerWaalsContact C-N 3.28Å; T568-S570 PolarHBondContact O-N 2.8Å; T568-S570 PolarHBondContact OG1-OG 3.43Å; T568-S570 VanDerWaalsContact OG1-OG 3.12Å; T568-G571 PolarHBondContact O-N 3.16Å; T568-G571 VanDerWaalsContact O-N 3.12Å; T568-G571 WeakPolarHBondContact OG1-CA 3.1Å; T568-G571 PolarHBondContact OG1-N 2.8Å; T568-L572 WeakPolarHBondContact O-CB 3.48Å; T568-L572 PolarHBondContact O-N 3.31Å |
| 569 | T | 70 | Confident | 66.3 | Low | 84 Ų | 84 | 63.7 Ų | 63.7 | 52% | 0.515 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 177.3 | -36.1 | 0 | 0 | 0 | 0 | 111.7 | L572 H573 G593 | T569-L572 PolarHBondContact O-N 2.78Å; T569-H573 PolarHBondContact O-CD2 2.91Å; T569-H573 PolarHBondContact O-N 2.84Å; T569-G593 WeakPolarHBondContact CG2-O 3.39Å |
| 570 | S | 74.1 | Confident | 67.6 | Low | 71 Ų | 71 | 59.5 Ų | 59.5 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 173.6 | 42.1 | 0 | 0 | 0 | 0 | 113 | T568 L574 | T568-S570 VanDerWaalsContact C-N 3.28Å; T568-S570 PolarHBondContact O-N 2.8Å; T568-S570 PolarHBondContact OG1-OG 3.43Å; T568-S570 VanDerWaalsContact OG1-OG 3.12Å; S570-L574 WeakPolarHBondContact O-CB 3.15Å; S570-L574 PolarHBondContact O-N 2.71Å; S570-L574 VanDerWaalsContact O-N 3.15Å |
| 571 | G | 71.9 | Confident | 68.5 | Low | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.6 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | F564 L565 T568 H573 L574 V575 | F564-G571 WeakPolarHBondContact O-CA 3.49Å; L565-G571 CarbonylContact O-C 3.55Å; T568-G571 PolarHBondContact O-N 3.16Å; T568-G571 VanDerWaalsContact O-N 3.12Å; T568-G571 WeakPolarHBondContact OG1-CA 3.1Å; T568-G571 PolarHBondContact OG1-N 2.8Å; G571-H573 VanDerWaalsContact C-N 3.33Å; G571-H573 PolarHBondContact O-N 3.48Å; G571-L574 CarbonylContact O-C 3.47Å; G571-L574 VanDerWaalsContact O-CA 3.31Å; G571-L574 WeakPolarHBondContact O-CA 3.45Å; G571-L574 VanDerWaalsContact O-CB 3.31Å; G571-L574 WeakPolarHBondContact O-CB 3.25Å; G571-L574 PolarHBondContact O-N 2.76Å; G571-V575 WeakPolarHBondContact O-CG2 3.49Å; G571-V575 PolarHBondContact O-N 3.48Å |
| 572 | L | 76.3 | Confident | 69.3 | Low | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.5 | -39 | 179.3 | -175.5 | 64.9 | 0 | 0 | 0 | 111.1 | L565 T568 T569 L574 V575 F576 W595 L598 | L565-L572 WeakPolarHBondContact O-CA 3.27Å; L565-L572 PolarHBondContact O-N 2.73Å; T568-L572 WeakPolarHBondContact O-CB 3.48Å; T568-L572 PolarHBondContact O-N 3.31Å; T569-L572 PolarHBondContact O-N 2.78Å; L572-L574 VanDerWaalsContact C-N 3.25Å; L572-L574 PolarHBondContact O-N 2.75Å; L572-V575 WeakPolarHBondContact O-CB 3.36Å; L572-V575 PolarHBondContact O-N 3.07Å; L572-F576 HydrophobicContact CD1-CD2 4.08Å; L572-F576 HydrophobicContact CD1-CE2 3.65Å; L572-F576 HydrophobicContact CD2-CE2 4.37Å; L572-F576 HydrophobicContact CG-CD2 4Å; L572-F576 HydrophobicContact CG-CE2 3.83Å; L572-F576 VanDerWaalsContact O-CD2 3.3Å; L572-F576 WeakPolarHBondContact O-CD2 3.38Å; L572-F576 PolarHBondContact O-N 3.41Å; L572-W595 HydrophobicContact CD1-CD2 4.45Å; L572-W595 HydrophobicContact CD1-CH2 4.39Å; L572-W595 HydrophobicContact CD1-CZ2 3.55Å; L572-W595 HydrophobicContact CD2-CD2 4.07Å; L572-W595 HydrophobicContact CD2-CG 3.99Å; L572-L598 HydrophobicContact CD2-CD1 4.29Å |
| 573 | H | 78.5 | Confident | 69.9 | Low | 59 Ų | 59 | 69.9 Ų | 69.9 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.6 | -38 | 169.6 | -76.8 | -146.5 | 0 | 0 | 0 | 111.2 | T569 G571 K577 V591 G593 | T569-H573 PolarHBondContact O-CD2 2.91Å; T569-H573 PolarHBondContact O-N 2.84Å; G571-H573 VanDerWaalsContact C-N 3.33Å; G571-H573 PolarHBondContact O-N 3.48Å; H573-K577 WeakPolarHBondContact O-CB 3.35Å; H573-K577 PolarHBondContact O-N 2.79Å; H573-V591 PolarHBondContact CE1-O 3.11Å; H573-G593 PolarHBondContact NE2-O 2.81Å |
| 574 | L | 72.6 | Confident | 70.4 | Confident | 96 Ų | 96 | 71.2 Ų | 71.2 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -72.8 | -29.6 | 176.1 | -151 | 147.6 | 0 | 0 | 0 | 112.5 | L565 S570 G571 L572 A578 | L565-L574 HydrophobicContact CD2-CB 4.18Å; L565-L574 HydrophobicContact CD2-CD2 3.73Å; S570-L574 WeakPolarHBondContact O-CB 3.15Å; S570-L574 PolarHBondContact O-N 2.71Å; S570-L574 VanDerWaalsContact O-N 3.15Å; G571-L574 CarbonylContact O-C 3.47Å; G571-L574 VanDerWaalsContact O-CA 3.31Å; G571-L574 WeakPolarHBondContact O-CA 3.45Å; G571-L574 VanDerWaalsContact O-CB 3.31Å; G571-L574 WeakPolarHBondContact O-CB 3.25Å; G571-L574 PolarHBondContact O-N 2.76Å; L572-L574 VanDerWaalsContact C-N 3.25Å; L572-L574 PolarHBondContact O-N 2.75Å; L574-A578 VanDerWaalsContact O-CB 3.26Å; L574-A578 WeakPolarHBondContact O-CB 3.33Å; L574-A578 PolarHBondContact O-N 3.14Å |
| 575 | V | 74.7 | Confident | 70.5 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 30% | 0.297 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.6 | -49.9 | 169.5 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | L565 G571 L572 K577 A578 A579 | L565-V575 HydrophobicContact CB-CG2 3.62Å; L565-V575 HydrophobicContact CD2-CG2 3.71Å; L565-V575 HydrophobicContact CG-CG2 4.2Å; L565-V575 VanDerWaalsContact O-CG2 3.31Å; L565-V575 WeakPolarHBondContact O-CG2 3.49Å; G571-V575 WeakPolarHBondContact O-CG2 3.49Å; G571-V575 PolarHBondContact O-N 3.48Å; L572-V575 WeakPolarHBondContact O-CB 3.36Å; L572-V575 PolarHBondContact O-N 3.07Å; V575-K577 VanDerWaalsContact C-N 3.34Å; V575-K577 PolarHBondContact O-N 3.37Å; V575-A578 CarbonylContact O-C 3.53Å; V575-A578 WeakPolarHBondContact O-CA 3.44Å; V575-A578 WeakPolarHBondContact O-CB 3.24Å; V575-A578 PolarHBondContact O-N 3.04Å; V575-A578 VanDerWaalsContact O-N 3.08Å; V575-A579 PolarHBondContact O-N 2.75Å |
| 576 | F | 78.3 | Confident | 71.4 | Confident | 36 Ų | 36 | 68.2 Ų | 68.2 | 16% | 0.158 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 178.3 | -79 | -68.1 | 0 | 0 | 0 | 111.8 | L572 A578 A579 D580 I588 V591 L598 L600 | L572-F576 HydrophobicContact CD1-CD2 4.08Å; L572-F576 HydrophobicContact CD1-CE2 3.65Å; L572-F576 HydrophobicContact CD2-CE2 4.37Å; L572-F576 HydrophobicContact CG-CD2 4Å; L572-F576 HydrophobicContact CG-CE2 3.83Å; L572-F576 VanDerWaalsContact O-CD2 3.3Å; L572-F576 WeakPolarHBondContact O-CD2 3.38Å; L572-F576 PolarHBondContact O-N 3.41Å; F576-A578 PolarHBondContact O-N 2.91Å; F576-A579 PolarHBondContact O-N 3.12Å; F576-A579 VanDerWaalsContact O-N 3.16Å; F576-D580 WeakPolarHBondContact O-CB 3.41Å; F576-D580 PolarHBondContact O-N 2.81Å; F576-I588 HydrophobicContact CD1-CD1 4.16Å; F576-V591 HydrophobicContact CB-CG1 4.12Å; F576-V591 HydrophobicContact CB-CG2 3.62Å; F576-V591 HydrophobicContact CD2-CG1 4.13Å; F576-V591 HydrophobicContact CG-CG1 4.39Å; F576-V591 HydrophobicContact CG-CG2 4.5Å; F576-L598 HydrophobicContact CD2-CD1 4.2Å; F576-L598 HydrophobicContact CE2-CD1 3.83Å; F576-L598 HydrophobicContact CE2-CD2 3.5Å; F576-L598 HydrophobicContact CE2-CG 4.31Å; F576-L598 HydrophobicContact CZ-CD2 3.57Å; F576-L600 HydrophobicContact CB-CD2 4.48Å; F576-L600 HydrophobicContact CD1-CD1 4.13Å; F576-L600 HydrophobicContact CD1-CD2 3.99Å; F576-L600 HydrophobicContact CD2-CD2 4.2Å; F576-L600 HydrophobicContact CE1-CD1 4Å; F576-L600 HydrophobicContact CE1-CD2 4.3Å; F576-L600 HydrophobicContact CE2-CD2 4.48Å; F576-L600 HydrophobicContact CG-CD2 3.96Å |
| 577 | K | 72 | Confident | 72.5 | Confident | 153 Ų | 153 | 67.3 Ų | 67.3 | 67% | 0.665 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -70.7 | -12.1 | 172.9 | -155.1 | 173.3 | -166.2 | 177.1 | 0 | 114 | H573 V575 | H573-K577 WeakPolarHBondContact O-CB 3.35Å; H573-K577 PolarHBondContact O-N 2.79Å; V575-K577 VanDerWaalsContact C-N 3.34Å; V575-K577 PolarHBondContact O-N 3.37Å |
| 578 | A | 68.8 | Low | 73.4 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -89 | -41.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L574 V575 F576 R581 W582 | L574-A578 VanDerWaalsContact O-CB 3.26Å; L574-A578 WeakPolarHBondContact O-CB 3.33Å; L574-A578 PolarHBondContact O-N 3.14Å; V575-A578 CarbonylContact O-C 3.53Å; V575-A578 WeakPolarHBondContact O-CA 3.44Å; V575-A578 WeakPolarHBondContact O-CB 3.24Å; V575-A578 PolarHBondContact O-N 3.04Å; V575-A578 VanDerWaalsContact O-N 3.08Å; F576-A578 PolarHBondContact O-N 2.91Å; A578-R581 CarbonylContact O-C 3.54Å; A578-R581 WeakPolarHBondContact O-CA 3.45Å; A578-R581 PolarHBondContact O-N 2.71Å; A578-W582 VanDerWaalsContact O-CB 3.22Å; A578-W582 WeakPolarHBondContact O-CB 3.41Å; A578-W582 PolarHBondContact O-N 3.05Å |
| 579 | A | 69.4 | Low | 73.9 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 20% | 0.198 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V575 F576 R581 W582 V583 L586 | V575-A579 PolarHBondContact O-N 2.75Å; F576-A579 PolarHBondContact O-N 3.12Å; F576-A579 VanDerWaalsContact O-N 3.16Å; A579-R581 PolarHBondContact O-N 3.36Å; A579-W582 PolarHBondContact O-N 2.87Å; A579-V583 HydrophobicContact CB-CG2 4.27Å; A579-V583 WeakPolarHBondContact O-CB 3.27Å; A579-V583 PolarHBondContact O-N 2.87Å; A579-L586 HydrophobicContact CB-CD2 4.07Å |
| 580 | D | 70.6 | Confident | 74.7 | Confident | 45 Ų | 45 | 66.5 Ų | 66.5 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -42.7 | -25.4 | 164.2 | 173.1 | 54.5 | 0 | 0 | 0 | 114.4 | F576 I588 | F576-D580 WeakPolarHBondContact O-CB 3.41Å; F576-D580 PolarHBondContact O-N 2.81Å; D580-I588 HydrophobicContact CB-CB 4.11Å; D580-I588 HydrophobicContact CB-CD1 4.26Å; D580-I588 HydrophobicContact CB-CG1 4.15Å; D580-I588 PolarHBondContact OD1-N 3.19Å |
| 581 | R | 70.3 | Confident | 75.2 | Confident | 180 Ų | 180 | 64.3 Ų | 64.3 | 68% | 0.679 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -115 | -10.3 | -178.3 | -178 | 163.1 | -176.3 | 70.4 | 8.4 | 114.4 | A578 A579 | A578-R581 CarbonylContact O-C 3.54Å; A578-R581 WeakPolarHBondContact O-CA 3.45Å; A578-R581 PolarHBondContact O-N 2.71Å; A579-R581 PolarHBondContact O-N 3.36Å |
| 582 | W | 68.8 | Low | 75.9 | Confident | 156 Ų | 156 | 66.5 Ų | 66.5 | 59% | 0.591 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -125.9 | -16.6 | -169.4 | -74.4 | 56.6 | 0 | 0 | 0 | 114 | Y422 A578 A579 P584 | Y422-W582 HydrophobicContact CD1-CE3 4.37Å; Y422-W582 AromaticContact CE1-CE3 3.94Å; Y422-W582 HydrophobicContact CE1-CE3 3.94Å; Y422-W582 HydrophobicContact CE1-CZ3 4.43Å; A578-W582 VanDerWaalsContact O-CB 3.22Å; A578-W582 WeakPolarHBondContact O-CB 3.41Å; A578-W582 PolarHBondContact O-N 3.05Å; A579-W582 PolarHBondContact O-N 2.87Å; W582-P584 WeakPolarHBondContact O-CD 3.33Å |
| 583 | V | 64.5 | Low | 76.3 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 38% | 0.382 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -94.7 | 106.4 | 172 | 179.3 | 0 | 0 | 0 | 0 | 107 | A579 G585 L586 Y605 | A579-V583 HydrophobicContact CB-CG2 4.27Å; A579-V583 WeakPolarHBondContact O-CB 3.27Å; A579-V583 PolarHBondContact O-N 2.87Å; V583-G585 PolarHBondContact O-N 2.69Å; V583-L586 HydrophobicContact CB-CB 3.77Å; V583-L586 HydrophobicContact CB-CD2 3.77Å; V583-L586 HydrophobicContact CB-CG 4.43Å; V583-L586 HydrophobicContact CG1-CB 3.93Å; V583-L586 HydrophobicContact CG1-CD2 4.15Å; V583-L586 HydrophobicContact CG2-CD2 4.08Å; V583-L586 WeakPolarHBondContact O-CB 3.26Å; V583-L586 PolarHBondContact O-N 3.32Å; V583-Y605 HydrophobicContact CG1-CD2 4.47Å; V583-Y605 HydrophobicContact CG1-CE2 4.18Å |
| 584 | P | 64.8 | Low | 76.5 | Confident | 99 Ų | 99 | 65.6 Ų | 65.6 | 64% | 0.643 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 134.1 | -173.3 | -24.5 | 35.7 | 0 | 0 | 0 | 111.5 | W582 L586 Y605 | W582-P584 WeakPolarHBondContact O-CD 3.33Å; P584-L586 VanDerWaalsContact C-N 3.29Å; P584-Y605 WeakPolarHBondContact O-CE2 3.11Å |
| 585 | G | 73.2 | Confident | 76.9 | Confident | 37 Ų | 37 | 65.5 Ų | 65.5 | 38% | 0.381 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -23.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V583 Y605 E606 | V583-G585 PolarHBondContact O-N 2.69Å; G585-Y605 WeakPolarHBondContact O-CA 3.39Å; G585-E606 VanDerWaalsContact CA-O 3.27Å; G585-E606 WeakPolarHBondContact CA-O 3.3Å; G585-E606 PolarHBondContact O-N 2.77Å; G585-E606 VanDerWaalsContact O-N 3.11Å |
| 586 | L | 82.1 | Confident | 77.3 | Confident | 40 Ų | 40 | 70.7 Ų | 70.7 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 139.2 | 179.7 | -163.9 | 68.9 | 0 | 0 | 0 | 111.1 | A579 V583 P584 I588 V603 R604 Y605 | A579-L586 HydrophobicContact CB-CD2 4.07Å; V583-L586 HydrophobicContact CB-CB 3.77Å; V583-L586 HydrophobicContact CB-CD2 3.77Å; V583-L586 HydrophobicContact CB-CG 4.43Å; V583-L586 HydrophobicContact CG1-CB 3.93Å; V583-L586 HydrophobicContact CG1-CD2 4.15Å; V583-L586 HydrophobicContact CG2-CD2 4.08Å; V583-L586 WeakPolarHBondContact O-CB 3.26Å; V583-L586 PolarHBondContact O-N 3.32Å; P584-L586 VanDerWaalsContact C-N 3.29Å; L586-I588 HydrophobicContact CD2-CD1 4.12Å; L586-I588 HydrophobicContact CG-CD1 4.36Å; L586-I588 HydrophobicContact CG-CG1 4.23Å; L586-V603 HydrophobicContact CD1-CG1 4.1Å; L586-R604 CarbonylContact C-O 3.54Å; L586-R604 WeakPolarHBondContact CA-O 3.14Å; L586-R604 WeakPolarHBondContact CD1-O 3.24Å; L586-Y605 HydrophobicContact CB-CD2 4.27Å; L586-Y605 HydrophobicContact CD1-CD2 4.42Å |
| 587 | D | 83.2 | Confident | 77.7 | Confident | 64 Ų | 64 | 73.8 Ų | 73.8 | 34% | 0.342 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.1 | 176.1 | 169.8 | 43.8 | 0 | 0 | 0 | 106.5 | V603 R604 | D587-V603 CarbonylContact O-C 3.6Å; D587-V603 WeakPolarHBondContact O-CA 3.49Å; D587-R604 HydrophobicContact CB-CB 4.08Å; D587-R604 HydrophobicContact CB-CG 4.29Å; D587-R604 PolarHBondContact N-O 3.22Å; D587-R604 PolarHBondContact O-N 2.88Å; D587-R604 VanDerWaalsContact OD2-CD 3.26Å; D587-R604 WeakPolarHBondContact OD2-CD 3.47Å; D587-R604 IonicContact OD2-CZ 2.83Å; D587-R604 IonicContact OD2-NE 3.83Å; D587-R604 PolarHBondContact OD2-NE 3.36Å |
| 588 | I | 83.8 | Confident | 78.6 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 7% | 0.067 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 92.8 | -177.8 | -54 | -179.9 | 0 | 0 | 0 | 109.9 | F576 D580 L586 K590 V591 L600 V603 | F576-I588 HydrophobicContact CD1-CD1 4.16Å; D580-I588 HydrophobicContact CB-CB 4.11Å; D580-I588 HydrophobicContact CB-CD1 4.26Å; D580-I588 HydrophobicContact CB-CG1 4.15Å; D580-I588 PolarHBondContact OD1-N 3.19Å; L586-I588 HydrophobicContact CD2-CD1 4.12Å; L586-I588 HydrophobicContact CG-CD1 4.36Å; L586-I588 HydrophobicContact CG-CG1 4.23Å; I588-K590 WeakPolarHBondContact CG2-O 3.34Å; I588-K590 PolarHBondContact O-N 2.76Å; I588-K590 VanDerWaalsContact O-N 3.1Å; I588-V591 HydrophobicContact CG2-CG2 3.96Å; I588-L600 HydrophobicContact CG2-CB 4.25Å; I588-L600 HydrophobicContact CG2-CD2 4.4Å; I588-V603 HydrophobicContact CG1-CG1 4.41Å; I588-V603 HydrophobicContact CG1-CG2 4.33Å; I588-V603 HydrophobicContact CG2-CG2 4.17Å |
| 589 | G | 83.6 | Confident | 79.6 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.6 | -27.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S601 D602 | G589-S601 PolarHBondContact N-O 3.15Å; G589-S601 VanDerWaalsContact N-O 3.16Å; G589-D602 PolarHBondContact N-O 2.79Å |
| 590 | K | 87 | Confident | 80.5 | Confident | 118 Ų | 118 | 65.7 Ų | 65.7 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 147.4 | 175.9 | -160.6 | -176.7 | 178.8 | -167 | 0 | 113.4 | I588 T592 L600 S601 | I588-K590 WeakPolarHBondContact CG2-O 3.34Å; I588-K590 PolarHBondContact O-N 2.76Å; I588-K590 VanDerWaalsContact O-N 3.1Å; K590-T592 HydrophobicContact CD-CG2 4.43Å; K590-L600 CarbonylContact O-C 3.53Å; K590-L600 VanDerWaalsContact O-CA 3.29Å; K590-L600 WeakPolarHBondContact O-CA 3.39Å; K590-S601 PolarHBondContact N-O 3.19Å; K590-S601 PolarHBondContact O-N 2.81Å |
| 591 | V | 85.5 | Confident | 81.4 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 15% | 0.152 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.3 | 170 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | H573 F576 I588 L598 L600 | H573-V591 PolarHBondContact CE1-O 3.11Å; F576-V591 HydrophobicContact CB-CG1 4.12Å; F576-V591 HydrophobicContact CB-CG2 3.62Å; F576-V591 HydrophobicContact CD2-CG1 4.13Å; F576-V591 HydrophobicContact CG-CG1 4.39Å; F576-V591 HydrophobicContact CG-CG2 4.5Å; I588-V591 HydrophobicContact CG2-CG2 3.96Å; V591-L598 HydrophobicContact CG1-CD1 4.23Å; V591-L600 HydrophobicContact CB-CD2 4.33Å; V591-L600 HydrophobicContact CG1-CD2 3.87Å; V591-L600 HydrophobicContact CG2-CD2 4.06Å |
| 592 | T | 85.4 | Confident | 82.2 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 28% | 0.282 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 157 | -179.4 | 31 | 0 | 0 | 0 | 0 | 111.6 | K590 T599 | K590-T592 HydrophobicContact CD-CG2 4.43Å; T592-T599 PolarHBondContact N-O 3.09Å; T592-T599 PolarHBondContact O-N 2.65Å; T592-T599 PolarHBondContact OG1-O 3.02Å |
| 593 | G | 85 | Confident | 83 | Confident | 27 Ų | 27 | 53 Ų | 53 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 67.4 | -159.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T569 H573 D597 | T569-G593 WeakPolarHBondContact CG2-O 3.39Å; H573-G593 PolarHBondContact NE2-O 2.81Å; G593-D597 WeakPolarHBondContact CA-O 3.22Å |
| 594 | G | 82.4 | Confident | 84.1 | Confident | 17 Ų | 17 | 55 Ų | 55 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | trans | -152.5 | -176.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | R596 D597 L598 | G594-R596 PolarHBondContact O-N 3.09Å; G594-D597 CarbonylContact O-C 3.57Å; G594-D597 VanDerWaalsContact O-C 3.24Å; G594-D597 PolarHBondContact O-N 3.08Å; G594-L598 WeakPolarHBondContact O-CA 3.45Å; G594-L598 PolarHBondContact O-N 2.65Å | ||
| 595 | W | 81 | Confident | 84.9 | Confident | 93 Ų | 93 | 53.6 Ų | 53.6 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | -22.3 | -167.1 | -72 | 119 | 0 | 0 | 0 | 119.5 | L572 L598 L619 V621 L623 | L572-W595 HydrophobicContact CD1-CD2 4.45Å; L572-W595 HydrophobicContact CD1-CH2 4.39Å; L572-W595 HydrophobicContact CD1-CZ2 3.55Å; L572-W595 HydrophobicContact CD2-CD2 4.07Å; L572-W595 HydrophobicContact CD2-CG 3.99Å; W595-L598 HydrophobicContact CZ3-CD2 4.5Å; W595-L619 HydrophobicContact CE3-CD2 4.29Å; W595-L619 HydrophobicContact CZ3-CD2 3.99Å; W595-V621 HydrophobicContact CE3-CG2 4.28Å; W595-V621 WeakPolarHBondContact O-CB 3.31Å; W595-V621 PolarHBondContact O-N 2.87Å; W595-L623 HydrophobicContact CB-CD1 4.26Å |
| 596 | R | 83 | Confident | 85.2 | Confident | 159 Ų | 159 | 58.1 Ų | 58.1 | 60% | 0.6 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -8.3 | 175.2 | -79.3 | 178.1 | 161.5 | 167.7 | -5.9 | 115.1 | G594 A620 L623 E624 | G594-R596 PolarHBondContact O-N 3.09Å; R596-A620 VanDerWaalsContact O-CB 3.24Å; R596-A620 WeakPolarHBondContact O-CB 3.36Å; R596-L623 HydrophobicContact CG-CD1 4.2Å; R596-L623 HydrophobicContact CG-CG 4.42Å; R596-E624 IonicContact CZ-OE2 3.09Å; R596-E624 IonicContact NE-OE2 2.61Å; R596-E624 IonicContact NH2-OE2 2.91Å; R596-E624 PolarHBondContact NH2-OE2 3.05Å |
| 597 | D | 86.5 | Confident | 84.9 | Confident | 100 Ų | 100 | 60.6 Ų | 60.6 | 54% | 0.535 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -164.8 | 34.3 | -167.5 | -174.2 | 46.1 | 0 | 0 | 0 | 110.3 | G593 G594 T599 H618 | G593-D597 WeakPolarHBondContact CA-O 3.22Å; G594-D597 CarbonylContact O-C 3.57Å; G594-D597 VanDerWaalsContact O-C 3.24Å; G594-D597 PolarHBondContact O-N 3.08Å; D597-T599 PolarHBondContact O-N 2.84Å; D597-H618 IonicContact OD1-CE1 3Å; D597-H618 PolarHBondContact OD1-CE1 2.73Å |
| 598 | L | 90.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 128.9 | -171.2 | 174 | 70.1 | 0 | 0 | 0 | 108.9 | L572 F576 V591 G594 W595 L600 H618 L619 | L572-L598 HydrophobicContact CD2-CD1 4.29Å; F576-L598 HydrophobicContact CD2-CD1 4.2Å; F576-L598 HydrophobicContact CE2-CD1 3.83Å; F576-L598 HydrophobicContact CE2-CD2 3.5Å; F576-L598 HydrophobicContact CE2-CG 4.31Å; F576-L598 HydrophobicContact CZ-CD2 3.57Å; V591-L598 HydrophobicContact CG1-CD1 4.23Å; G594-L598 WeakPolarHBondContact O-CA 3.45Å; G594-L598 PolarHBondContact O-N 2.65Å; W595-L598 HydrophobicContact CZ3-CD2 4.5Å; L598-L600 HydrophobicContact CD1-CD2 4.18Å; L598-L600 HydrophobicContact CG-CD2 4.44Å; L598-H618 CarbonylContact O-C 3.01Å; L598-H618 WeakPolarHBondContact O-CA 3.21Å; L598-H618 PolarHBondContact O-ND1 2.84Å; L598-L619 HydrophobicContact CB-CB 4.47Å; L598-L619 WeakPolarHBondContact CB-O 3.41Å; L598-L619 PolarHBondContact N-O 2.99Å; L598-L619 PolarHBondContact O-N 3.4Å |
| 599 | T | 90.2 | Very high | 83.8 | Confident | 31 Ų | 31 | 62.2 Ų | 62.2 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 120.5 | 173.3 | -46.6 | 0 | 0 | 0 | 0 | 110.8 | T592 D597 L617 H618 | T592-T599 PolarHBondContact N-O 3.09Å; T592-T599 PolarHBondContact O-N 2.65Å; T592-T599 PolarHBondContact OG1-O 3.02Å; D597-T599 PolarHBondContact O-N 2.84Å; T599-L617 CarbonylContact C-O 3.49Å; T599-L617 WeakPolarHBondContact CA-O 3.43Å; T599-H618 HydrophobicContact CG2-CB 4.43Å; T599-H618 PolarHBondContact OG1-ND1 2.71Å |
| 600 | L | 89.7 | Confident | 83.7 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 140.9 | 168.7 | -45.8 | 178.9 | 0 | 0 | 0 | 108.5 | F576 I588 K590 V591 L598 V603 N616 L617 | F576-L600 HydrophobicContact CB-CD2 4.48Å; F576-L600 HydrophobicContact CD1-CD1 4.13Å; F576-L600 HydrophobicContact CD1-CD2 3.99Å; F576-L600 HydrophobicContact CD2-CD2 4.2Å; F576-L600 HydrophobicContact CE1-CD1 4Å; F576-L600 HydrophobicContact CE1-CD2 4.3Å; F576-L600 HydrophobicContact CE2-CD2 4.48Å; F576-L600 HydrophobicContact CG-CD2 3.96Å; I588-L600 HydrophobicContact CG2-CB 4.25Å; I588-L600 HydrophobicContact CG2-CD2 4.4Å; K590-L600 CarbonylContact O-C 3.53Å; K590-L600 VanDerWaalsContact O-CA 3.29Å; K590-L600 WeakPolarHBondContact O-CA 3.39Å; V591-L600 HydrophobicContact CB-CD2 4.33Å; V591-L600 HydrophobicContact CG1-CD2 3.87Å; V591-L600 HydrophobicContact CG2-CD2 4.06Å; L598-L600 HydrophobicContact CD1-CD2 4.18Å; L598-L600 HydrophobicContact CG-CD2 4.44Å; L600-V603 HydrophobicContact CB-CG2 3.6Å; L600-V603 HydrophobicContact CD1-CG2 4.19Å; L600-N616 CarbonylContact O-C 3.58Å; L600-N616 VanDerWaalsContact O-CA 3.27Å; L600-N616 WeakPolarHBondContact O-CA 3.43Å; L600-L617 HydrophobicContact CB-CB 4.33Å; L600-L617 HydrophobicContact CD1-CD1 4.46Å; L600-L617 HydrophobicContact CD1-CD2 4.36Å; L600-L617 PolarHBondContact N-O 2.99Å; L600-L617 PolarHBondContact O-N 3.47Å |
| 601 | S | 88 | Confident | 83.6 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.3 | 173.7 | -46.8 | 0 | 0 | 0 | 0 | 110.8 | G589 K590 G615 N616 | G589-S601 PolarHBondContact N-O 3.15Å; G589-S601 VanDerWaalsContact N-O 3.16Å; K590-S601 PolarHBondContact N-O 3.19Å; K590-S601 PolarHBondContact O-N 2.81Å; S601-G615 CarbonylContact C-O 3.5Å; S601-G615 WeakPolarHBondContact CA-O 3.19Å; S601-N616 WeakPolarHBondContact CB-OD1 3.36Å; S601-N616 PolarHBondContact OG-OD1 2.79Å |
| 602 | D | 87 | Confident | 83.7 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.9 | 55.8 | -176.3 | -79 | -73.3 | 0 | 0 | 0 | 112.4 | G589 R604 G615 | G589-D602 PolarHBondContact N-O 2.79Å; D602-R604 IonicContact OD1-NH2 2.77Å; D602-G615 PolarHBondContact N-O 3Å |
| 603 | V | 86.2 | Confident | 83.9 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 139 | 173.5 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | L586 D587 I588 L600 K613 A614 | L586-V603 HydrophobicContact CD1-CG1 4.1Å; D587-V603 CarbonylContact O-C 3.6Å; D587-V603 WeakPolarHBondContact O-CA 3.49Å; I588-V603 HydrophobicContact CG1-CG1 4.41Å; I588-V603 HydrophobicContact CG1-CG2 4.33Å; I588-V603 HydrophobicContact CG2-CG2 4.17Å; L600-V603 HydrophobicContact CB-CG2 3.6Å; L600-V603 HydrophobicContact CD1-CG2 4.19Å; V603-K613 CarbonylContact O-C 3.51Å; V603-K613 WeakPolarHBondContact O-CA 3.32Å; V603-A614 HydrophobicContact CB-CB 4.26Å; V603-A614 PolarHBondContact N-O 3.21Å; V603-A614 PolarHBondContact O-N 2.83Å |
| 604 | R | 86.8 | Confident | 83.9 | Confident | 105 Ų | 105 | 57.2 Ų | 57.2 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 154.2 | 171.7 | -37.5 | -176.1 | -178.9 | 169.3 | 4.5 | 109.5 | L586 D587 D602 V612 K613 | L586-R604 CarbonylContact C-O 3.54Å; L586-R604 WeakPolarHBondContact CA-O 3.14Å; L586-R604 WeakPolarHBondContact CD1-O 3.24Å; D587-R604 HydrophobicContact CB-CB 4.08Å; D587-R604 HydrophobicContact CB-CG 4.29Å; D587-R604 PolarHBondContact N-O 3.22Å; D587-R604 PolarHBondContact O-N 2.88Å; D587-R604 VanDerWaalsContact OD2-CD 3.26Å; D587-R604 WeakPolarHBondContact OD2-CD 3.47Å; D587-R604 IonicContact OD2-CZ 2.83Å; D587-R604 IonicContact OD2-NE 3.83Å; D587-R604 PolarHBondContact OD2-NE 3.36Å; D602-R604 IonicContact OD1-NH2 2.77Å; R604-V612 CarbonylContact C-O 3.56Å; R604-V612 WeakPolarHBondContact CA-O 3.43Å; R604-K613 HydrophobicContact CG-CB 4.49Å; R604-K613 HydrophobicContact CG-CG 4.21Å |
| 605 | Y | 83.5 | Confident | 84.1 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 27% | 0.271 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 107.1 | 177.2 | 172.8 | -104.2 | 0 | 0 | 0 | 110.5 | V583 P584 G585 L586 Q607 A611 V612 | V583-Y605 HydrophobicContact CG1-CD2 4.47Å; V583-Y605 HydrophobicContact CG1-CE2 4.18Å; P584-Y605 WeakPolarHBondContact O-CE2 3.11Å; G585-Y605 WeakPolarHBondContact O-CA 3.39Å; L586-Y605 HydrophobicContact CB-CD2 4.27Å; L586-Y605 HydrophobicContact CD1-CD2 4.42Å; Y605-Q607 HydrophobicContact CE1-CG 3.96Å; Y605-Q607 VanDerWaalsContact OH-CD 3.24Å; Y605-Q607 PolarHBondContact OH-OE1 2.87Å; Y605-Q607 VanDerWaalsContact OH-OE1 3.13Å; Y605-A611 CarbonylContact O-C 3.43Å; Y605-V612 HydrophobicContact CD1-CB 4.49Å; Y605-V612 HydrophobicContact CD1-CG2 4.13Å; Y605-V612 PolarHBondContact N-O 2.85Å; Y605-V612 WeakPolarHBondContact O-CA 3.23Å; Y605-V612 WeakPolarHBondContact O-CB 3.25Å; Y605-V612 PolarHBondContact O-N 2.99Å |
| 606 | E | 77.9 | Confident | 84.5 | Confident | 132 Ų | 132 | 55.2 Ų | 55.2 | 62% | 0.617 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.9 | -180 | -61.3 | -164.8 | 141.6 | 0 | 0 | 113.9 | G585 A611 | G585-E606 VanDerWaalsContact CA-O 3.27Å; G585-E606 WeakPolarHBondContact CA-O 3.3Å; G585-E606 PolarHBondContact O-N 2.77Å; G585-E606 VanDerWaalsContact O-N 3.11Å; E606-A611 HydrophobicContact CG-CB 3.91Å |
| 607 | Q | 77 | Confident | 84.7 | Confident | 93 Ų | 93 | 49.7 Ų | 49.7 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 167.1 | 170.7 | 65.2 | 167.3 | -5.6 | 0 | 0 | 110.8 | Y605 G609 V610 | Y605-Q607 HydrophobicContact CE1-CG 3.96Å; Y605-Q607 VanDerWaalsContact OH-CD 3.24Å; Y605-Q607 PolarHBondContact OH-OE1 2.87Å; Y605-Q607 VanDerWaalsContact OH-OE1 3.13Å; Q607-G609 PolarHBondContact O-N 2.94Å; Q607-G609 VanDerWaalsContact O-N 3.17Å; Q607-V610 HydrophobicContact CG-CB 3.76Å; Q607-V610 HydrophobicContact CG-CG2 4.22Å; Q607-V610 WeakPolarHBondContact CG-O 3.26Å; Q607-V610 PolarHBondContact N-O 2.9Å; Q607-V610 CarbonylContact O-C 3.59Å; Q607-V610 PolarHBondContact O-N 3.27Å |
| 608 | P | 67.7 | Low | 85.1 | Confident | 104 Ų | 104 | 46.6 Ų | 46.6 | 68% | 0.675 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 122.7 | 176.5 | -25.6 | 36 | 0 | 0 | 0 | 111.9 | V610 | P608-V610 PolarHBondContact O-N 3.03Š|
| 609 | G | 75.6 | Confident | 85.1 | Confident | 6 Ų | 6 | 48 Ų | 48 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 4.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q607 I645 D646 K649 | Q607-G609 PolarHBondContact O-N 2.94Å; Q607-G609 VanDerWaalsContact O-N 3.17Å; G609-I645 VanDerWaalsContact O-CA 3.25Å; G609-I645 WeakPolarHBondContact O-CA 3.11Å; G609-D646 WeakPolarHBondContact CA-O 3.49Å; G609-D646 PolarHBondContact O-N 2.96Å; G609-D646 VanDerWaalsContact O-N 3.08Å; G609-K649 VanDerWaalsContact CA-CB 3.46Å |
| 610 | V | 81.7 | Confident | 85.1 | Confident | 19 Ų | 19 | 47 Ų | 47 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 103 | 168.7 | -164.1 | 0 | 0 | 0 | 0 | 110.9 | Q607 P608 V612 V643 N644 I645 M650 | Q607-V610 HydrophobicContact CG-CB 3.76Å; Q607-V610 HydrophobicContact CG-CG2 4.22Å; Q607-V610 WeakPolarHBondContact CG-O 3.26Å; Q607-V610 PolarHBondContact N-O 2.9Å; Q607-V610 CarbonylContact O-C 3.59Å; Q607-V610 PolarHBondContact O-N 3.27Å; P608-V610 PolarHBondContact O-N 3.03Å; V610-V612 HydrophobicContact CG1-CG2 3.76Å; V610-V643 HydrophobicContact CG1-CG1 4.48Å; V610-N644 WeakPolarHBondContact CA-O 3.49Å; V610-I645 HydrophobicContact CG1-CG1 4.12Å; V610-I645 HydrophobicContact CG2-CG1 4.31Å; V610-M650 HydrophobicContact CG2-CE 3.39Å |
| 611 | A | 85.1 | Confident | 84.8 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 19% | 0.19 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 139.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y605 E606 V643 N644 | Y605-A611 CarbonylContact O-C 3.43Å; E606-A611 HydrophobicContact CG-CB 3.91Å; A611-V643 CarbonylContact O-C 3.54Å; A611-V643 WeakPolarHBondContact O-CA 3.46Å; A611-N644 HydrophobicContact CB-CB 4.33Å; A611-N644 PolarHBondContact N-O 3.03Å; A611-N644 PolarHBondContact O-N 2.59Å |
| 612 | V | 87.2 | Confident | 84.6 | Confident | 40 Ų | 40 | 46.8 Ų | 46.8 | 24% | 0.242 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 145.5 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | R604 Y605 V610 Q642 V643 | R604-V612 CarbonylContact C-O 3.56Å; R604-V612 WeakPolarHBondContact CA-O 3.43Å; Y605-V612 HydrophobicContact CD1-CB 4.49Å; Y605-V612 HydrophobicContact CD1-CG2 4.13Å; Y605-V612 PolarHBondContact N-O 2.85Å; Y605-V612 WeakPolarHBondContact O-CA 3.23Å; Y605-V612 WeakPolarHBondContact O-CB 3.25Å; Y605-V612 PolarHBondContact O-N 2.99Å; V610-V612 HydrophobicContact CG1-CG2 3.76Å; V612-Q642 CarbonylContact C-O 3.47Å; V612-Q642 VanDerWaalsContact CA-O 3.24Å; V612-Q642 WeakPolarHBondContact CA-O 3.32Å; V612-V643 HydrophobicContact CG1-CG2 4.13Å; V612-V643 HydrophobicContact CG2-CG1 4.39Å; V612-V643 HydrophobicContact CG2-CG2 4.25Å |
| 613 | K | 89.1 | Confident | 84.1 | Confident | 79 Ų | 79 | 46 Ų | 46 | 34% | 0.343 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 150.6 | 171 | 174.4 | 174.4 | 177.3 | -169.2 | 0 | 109.5 | V603 R604 I641 Q642 | V603-K613 CarbonylContact O-C 3.51Å; V603-K613 WeakPolarHBondContact O-CA 3.32Å; R604-K613 HydrophobicContact CG-CB 4.49Å; R604-K613 HydrophobicContact CG-CG 4.21Å; K613-I641 CarbonylContact O-C 3.53Å; K613-I641 WeakPolarHBondContact O-CA 3.17Å; K613-Q642 HydrophobicContact CB-CB 4.31Å; K613-Q642 PolarHBondContact N-O 3.1Å; K613-Q642 PolarHBondContact O-N 2.77Å |
| 614 | A | 86.3 | Confident | 83.6 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 120.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V603 D640 I641 | V603-A614 HydrophobicContact CB-CB 4.26Å; V603-A614 PolarHBondContact N-O 3.21Å; V603-A614 PolarHBondContact O-N 2.83Å; A614-D640 WeakPolarHBondContact CA-O 3.37Å; A614-I641 HydrophobicContact CB-CD1 3.26Å |
| 615 | G | 85.1 | Confident | 83.1 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S601 D602 K639 D640 | S601-G615 CarbonylContact C-O 3.5Å; S601-G615 WeakPolarHBondContact CA-O 3.19Å; D602-G615 PolarHBondContact N-O 3Å; G615-K639 WeakPolarHBondContact CA-O 3.14Å; G615-K639 PolarHBondContact N-O 2.94Å; G615-D640 PolarHBondContact N-O 3.3Å |
| 616 | N | 89.5 | Confident | 82.5 | Confident | 58 Ų | 58 | 46.7 Ų | 46.7 | 31% | 0.31 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 150.3 | 169.1 | -68.8 | -87.2 | 0 | 0 | 0 | 112.7 | L600 S601 L638 K639 | L600-N616 CarbonylContact O-C 3.58Å; L600-N616 VanDerWaalsContact O-CA 3.27Å; L600-N616 WeakPolarHBondContact O-CA 3.43Å; S601-N616 WeakPolarHBondContact CB-OD1 3.36Å; S601-N616 PolarHBondContact OG-OD1 2.79Å; N616-L638 CarbonylContact O-C 3.57Å; N616-L638 WeakPolarHBondContact O-CA 3.47Å; N616-K639 HydrophobicContact CB-CB 4.42Å; N616-K639 PolarHBondContact N-O 3.19Å; N616-K639 PolarHBondContact O-N 2.85Å |
| 617 | L | 89 | Confident | 82.1 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 23% | 0.225 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 117 | 168.4 | -176.1 | 168.5 | 0 | 0 | 0 | 108.3 | T599 L600 L619 A637 L638 | T599-L617 CarbonylContact C-O 3.49Å; T599-L617 WeakPolarHBondContact CA-O 3.43Å; L600-L617 HydrophobicContact CB-CB 4.33Å; L600-L617 HydrophobicContact CD1-CD1 4.46Å; L600-L617 HydrophobicContact CD1-CD2 4.36Å; L600-L617 PolarHBondContact N-O 2.99Å; L600-L617 PolarHBondContact O-N 3.47Å; L617-L619 HydrophobicContact CD2-CB 4.47Å; L617-A637 CarbonylContact C-O 3.32Å; L617-A637 WeakPolarHBondContact CA-O 3.23Å; L617-L638 HydrophobicContact CB-CD2 3.83Å; L617-L638 HydrophobicContact CD1-CD2 3.84Å; L617-L638 HydrophobicContact CG-CD2 3.63Å; L617-L638 HydrophobicContact CG-CG 4.28Å |
| 618 | H | 93.9 | Very high | 81.7 | Confident | 35 Ų | 35 | 53 Ų | 53 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 140.6 | 176.4 | -179.2 | 87.2 | 0 | 0 | 0 | 111.2 | D597 L598 T599 D635 L636 A637 | D597-H618 IonicContact OD1-CE1 3Å; D597-H618 PolarHBondContact OD1-CE1 2.73Å; L598-H618 CarbonylContact O-C 3.01Å; L598-H618 WeakPolarHBondContact O-CA 3.21Å; L598-H618 PolarHBondContact O-ND1 2.84Å; T599-H618 HydrophobicContact CG2-CB 4.43Å; T599-H618 PolarHBondContact OG1-ND1 2.71Å; H618-D635 IonicContact CD2-OD2 3.43Å; H618-D635 PolarHBondContact CD2-OD2 3.15Å; H618-D635 IonicContact NE2-OD2 3.87Å; H618-L636 CarbonylContact O-C 3.59Å; H618-L636 WeakPolarHBondContact O-CA 3.41Å; H618-A637 HydrophobicContact CB-CB 4.2Å; H618-A637 PolarHBondContact N-O 2.84Å; H618-A637 PolarHBondContact O-N 2.97Å |
| 619 | L | 90.9 | Very high | 82 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 120.9 | 179.2 | 174.3 | 65.3 | 0 | 0 | 0 | 111.1 | W595 L598 L617 V621 I633 D635 L636 | W595-L619 HydrophobicContact CE3-CD2 4.29Å; W595-L619 HydrophobicContact CZ3-CD2 3.99Å; L598-L619 HydrophobicContact CB-CB 4.47Å; L598-L619 WeakPolarHBondContact CB-O 3.41Å; L598-L619 PolarHBondContact N-O 2.99Å; L598-L619 PolarHBondContact O-N 3.4Å; L617-L619 HydrophobicContact CD2-CB 4.47Å; L619-V621 HydrophobicContact CD1-CG2 4.08Å; L619-V621 HydrophobicContact CD2-CG2 4.12Å; L619-V621 HydrophobicContact CG-CG2 3.94Å; L619-I633 HydrophobicContact CD1-CG2 3.87Å; L619-D635 WeakPolarHBondContact CA-O 3.44Å; L619-L636 HydrophobicContact CD1-CD1 4.33Å |
| 620 | A | 90.1 | Very high | 82.2 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 102.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R596 N634 D635 | R596-A620 VanDerWaalsContact O-CB 3.24Å; R596-A620 WeakPolarHBondContact O-CB 3.36Å; A620-N634 HydrophobicContact CB-CB 4.23Å; A620-N634 WeakPolarHBondContact O-CB 3.11Å; A620-N634 PolarHBondContact O-N 3.37Å; A620-D635 HydrophobicContact CB-CB 4.02Å; A620-D635 PolarHBondContact N-O 3Å; A620-D635 PolarHBondContact O-N 2.97Å |
| 621 | V | 83.5 | Confident | 82.2 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 14% | 0.139 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.7 | 177.5 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | W595 L619 L623 | W595-V621 HydrophobicContact CE3-CG2 4.28Å; W595-V621 WeakPolarHBondContact O-CB 3.31Å; W595-V621 PolarHBondContact O-N 2.87Å; L619-V621 HydrophobicContact CD1-CG2 4.08Å; L619-V621 HydrophobicContact CD2-CG2 4.12Å; L619-V621 HydrophobicContact CG-CG2 3.94Å; V621-L623 VanDerWaalsContact C-N 3.28Å; V621-L623 HydrophobicContact CB-CD2 4.29Å; V621-L623 HydrophobicContact CG1-CD2 3.92Å; V621-L623 PolarHBondContact O-N 2.98Å |
| 622 | G | 82.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | trans | -75.2 | 75.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E624 C625 C632 | G622-E624 PolarHBondContact O-N 3.14Å; G622-E624 VanDerWaalsContact O-N 3.08Å; G622-C625 WeakPolarHBondContact O-CB 3.28Å; G622-C625 PolarHBondContact O-N 2.85Å; G622-C632 PolarHBondContact N-O 2.95Å | ||
| 623 | L | 76.9 | Confident | 82.6 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 32% | 0.319 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -56.2 | -26.6 | -173.2 | -66.2 | 175.8 | 0 | 0 | 0 | 114.2 | W595 R596 V621 C625 L626 | W595-L623 HydrophobicContact CB-CD1 4.26Å; R596-L623 HydrophobicContact CG-CD1 4.2Å; R596-L623 HydrophobicContact CG-CG 4.42Å; V621-L623 VanDerWaalsContact C-N 3.28Å; V621-L623 HydrophobicContact CB-CD2 4.29Å; V621-L623 HydrophobicContact CG1-CD2 3.92Å; V621-L623 PolarHBondContact O-N 2.98Å; L623-C625 VanDerWaalsContact C-N 3.28Å; L623-C625 PolarHBondContact O-N 2.96Å; L623-L626 HydrophobicContact CD2-CD1 3.94Å; L623-L626 WeakPolarHBondContact O-CB 3.44Å; L623-L626 PolarHBondContact O-N 2.62Å |
| 624 | E | 76.2 | Confident | 82.6 | Confident | 90 Ų | 90 | 52.6 Ų | 52.6 | 42% | 0.421 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -60.4 | -30.3 | 171.9 | 47.5 | -81.9 | 179.4 | 0 | 0 | 113.9 | R596 G622 L626 W627 | R596-E624 IonicContact CZ-OE2 3.09Å; R596-E624 IonicContact NE-OE2 2.61Å; R596-E624 IonicContact NH2-OE2 2.91Å; R596-E624 PolarHBondContact NH2-OE2 3.05Å; G622-E624 PolarHBondContact O-N 3.14Å; G622-E624 VanDerWaalsContact O-N 3.08Å; E624-L626 VanDerWaalsContact C-N 3.28Å; E624-L626 PolarHBondContact O-N 2.94Å; E624-W627 WeakPolarHBondContact O-CB 3.41Å; E624-W627 PolarHBondContact O-N 3.16Å |
| 625 | C | 76.5 | Confident | 82.8 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 14% | 0.142 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -66.8 | -29.1 | 178.5 | -68.9 | 0 | 0 | 0 | 0 | 113.2 | G622 L623 W627 N628 S629 S630 C632 | G622-C625 WeakPolarHBondContact O-CB 3.28Å; G622-C625 PolarHBondContact O-N 2.85Å; L623-C625 VanDerWaalsContact C-N 3.28Å; L623-C625 PolarHBondContact O-N 2.96Å; C625-W627 PolarHBondContact O-N 2.79Å; C625-N628 CarbonylContact O-C 3.45Å; C625-N628 WeakPolarHBondContact O-CA 3.3Å; C625-N628 PolarHBondContact O-N 3.31Å; C625-S629 PolarHBondContact O-N 3Å; C625-S630 CarbonylContact C-O 3.42Å; C625-S630 WeakPolarHBondContact CB-O 3.49Å; C625-S630 WeakPolarHBondContact CB-OG 3.13Å; C625-S630 PolarHBondContact O-N 3.14Å; C625-S630 PolarHBondContact O-OG 3.14Å; C625-S630 VanDerWaalsContact O-OG 3.06Å; C625-C632 HydrophobicContact CB-CB 3.56Å; C625-C632 WeakPolarHBondContact CB-SG 3.44Å; C625-C632 WeakPolarHBondContact SG-CB 3.36Å; C625-C632 CovalentContact SG-SG 2.03Å; C625-C632 PolarHBondContact SG-SG 2.88Å |
| 626 | L | 70.7 | Confident | 83.2 | Confident | 95 Ų | 95 | 54.9 Ų | 54.9 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -62.7 | -26.2 | 177.2 | -60.2 | 173.9 | 0 | 0 | 0 | 112.2 | L623 E624 N628 S630 V631 | L623-L626 HydrophobicContact CD2-CD1 3.94Å; L623-L626 WeakPolarHBondContact O-CB 3.44Å; L623-L626 PolarHBondContact O-N 2.62Å; E624-L626 VanDerWaalsContact C-N 3.28Å; E624-L626 PolarHBondContact O-N 2.94Å; L626-N628 VanDerWaalsContact C-N 3.31Å; L626-S630 PolarHBondContact N-O 3.41Å; L626-V631 HydrophobicContact CD2-CG2 4.36Å |
| 627 | W | 70.3 | Confident | 83.3 | Confident | 230 Ų | 230 | 53 Ų | 53 | 87% | 0.871 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -75.6 | -22.3 | 174.6 | -66.6 | 63.3 | 0 | 0 | 0 | 112.5 | E624 C625 | E624-W627 WeakPolarHBondContact O-CB 3.41Å; E624-W627 PolarHBondContact O-N 3.16Å; C625-W627 PolarHBondContact O-N 2.79Å |
| 628 | N | 68.4 | Low | 83.4 | Confident | 127 Ų | 127 | 53 Ų | 53 | 68% | 0.679 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -99 | 15.8 | 177.3 | -62.7 | -23.8 | 0 | 0 | 0 | 112.2 | C625 L626 S630 | C625-N628 CarbonylContact O-C 3.45Å; C625-N628 WeakPolarHBondContact O-CA 3.3Å; C625-N628 PolarHBondContact O-N 3.31Å; L626-N628 VanDerWaalsContact C-N 3.31Å; N628-S630 VanDerWaalsContact C-N 3.32Å; N628-S630 PolarHBondContact O-N 2.81Å |
| 629 | S | 73.7 | Confident | 83.3 | Confident | 72 Ų | 72 | 54.8 Ų | 54.8 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 44.2 | -175.2 | -62.7 | 0 | 0 | 0 | 0 | 113.6 | C625 Y671 | C625-S629 PolarHBondContact O-N 3Å; S629-Y671 WeakPolarHBondContact O-CB 3.21Å; S629-Y671 WeakPolarHBondContact O-CD1 3.36Å |
| 630 | S | 78.6 | Confident | 83.2 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | trans | -138.5 | 158.6 | 174.7 | 54.2 | 0 | 0 | 0 | 0 | 110.9 | C625 L626 N628 P672 | C625-S630 CarbonylContact C-O 3.42Å; C625-S630 WeakPolarHBondContact CB-O 3.49Å; C625-S630 WeakPolarHBondContact CB-OG 3.13Å; C625-S630 PolarHBondContact O-N 3.14Å; C625-S630 PolarHBondContact O-OG 3.14Å; C625-S630 VanDerWaalsContact O-OG 3.06Å; L626-S630 PolarHBondContact N-O 3.41Å; N628-S630 VanDerWaalsContact C-N 3.32Å; N628-S630 PolarHBondContact O-N 2.81Å; S630-P672 WeakPolarHBondContact CA-O 3.48Å; S630-P672 WeakPolarHBondContact CB-O 3.48Å | ||
| 631 | V | 83.1 | Confident | 83.2 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 109.6 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | L626 P672 I673 T674 | L626-V631 HydrophobicContact CD2-CG2 4.36Å; V631-P672 PolarHBondContact N-O 3.08Å; V631-I673 HydrophobicContact CB-CG1 4.47Å; V631-I673 WeakPolarHBondContact O-CA 3.22Å; V631-T674 PolarHBondContact O-N 2.64Å |
| 632 | C | 89.1 | Confident | 83.5 | Confident | 16 Ų | 16 | 59.9 Ų | 59.9 | 11% | 0.108 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 122.3 | 175 | -62.2 | 0 | 0 | 0 | 0 | 110.5 | G622 C625 T674 | G622-C632 PolarHBondContact N-O 2.95Å; C625-C632 HydrophobicContact CB-CB 3.56Å; C625-C632 WeakPolarHBondContact CB-SG 3.44Å; C625-C632 WeakPolarHBondContact SG-CB 3.36Å; C625-C632 CovalentContact SG-SG 2.03Å; C625-C632 PolarHBondContact SG-SG 2.88Å; C632-T674 WeakPolarHBondContact CA-O 3.41Å |
| 633 | I | 90.5 | Very high | 83.7 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 17% | 0.174 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 110.9 | 165.4 | -65.9 | 171.6 | 0 | 0 | 0 | 106.3 | L619 D635 L636 T674 L675 T676 | L619-I633 HydrophobicContact CD1-CG2 3.87Å; I633-D635 WeakPolarHBondContact CG2-O 3.48Å; I633-L636 HydrophobicContact CG2-CB 3.99Å; I633-T674 PolarHBondContact N-O 3.33Å; I633-L675 HydrophobicContact CB-CD1 3.78Å; I633-L675 HydrophobicContact CB-CG 4.29Å; I633-L675 HydrophobicContact CD1-CD1 3.87Å; I633-L675 HydrophobicContact CG1-CD1 4.25Å; I633-L675 HydrophobicContact CG2-CD1 4.37Å; I633-T676 PolarHBondContact O-N 2.93Å |
| 634 | N | 89.2 | Confident | 84.1 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -34.8 | -174.5 | -62.6 | -5.9 | 0 | 0 | 0 | 110.6 | A620 T676 R677 | A620-N634 HydrophobicContact CB-CB 4.23Å; A620-N634 WeakPolarHBondContact O-CB 3.11Å; A620-N634 PolarHBondContact O-N 3.37Å; N634-T676 WeakPolarHBondContact O-CB 3.47Å; N634-R677 PolarHBondContact O-N 3Å |
| 635 | D | 91.4 | Very high | 84.4 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 10% | 0.096 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 145.7 | 170.9 | -167.9 | 29.1 | 0 | 0 | 0 | 111.6 | H618 L619 A620 I633 R677 | H618-D635 IonicContact CD2-OD2 3.43Å; H618-D635 PolarHBondContact CD2-OD2 3.15Å; H618-D635 IonicContact NE2-OD2 3.87Å; L619-D635 WeakPolarHBondContact CA-O 3.44Å; A620-D635 HydrophobicContact CB-CB 4.02Å; A620-D635 PolarHBondContact N-O 3Å; A620-D635 PolarHBondContact O-N 2.97Å; I633-D635 WeakPolarHBondContact CG2-O 3.48Å; D635-R677 CarbonylContact C-O 3.55Å; D635-R677 WeakPolarHBondContact CA-O 3.13Å; D635-R677 VanDerWaalsContact CG-NH2 3.27Å; D635-R677 IonicContact OD1-CZ 2.66Å; D635-R677 IonicContact OD1-NE 3.17Å; D635-R677 PolarHBondContact OD1-NE 2.73Å; D635-R677 IonicContact OD1-NH2 3.09Å; D635-R677 PolarHBondContact OD1-NH2 2.64Å; D635-R677 IonicContact OD2-CZ 2.64Å; D635-R677 IonicContact OD2-NE 2.96Å; D635-R677 IonicContact OD2-NH2 2.57Å; D635-R677 PolarHBondContact OD2-NH2 2.78Å |
| 636 | L | 92.3 | Very high | 84.4 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 91.6 | 169.6 | 171 | 55.3 | 0 | 0 | 0 | 107.8 | H618 L619 I633 R677 V678 A679 | H618-L636 CarbonylContact O-C 3.59Å; H618-L636 WeakPolarHBondContact O-CA 3.41Å; L619-L636 HydrophobicContact CD1-CD1 4.33Å; I633-L636 HydrophobicContact CG2-CB 3.99Å; L636-R677 PolarHBondContact N-O 2.85Å; L636-V678 HydrophobicContact CB-CG2 3.99Å; L636-V678 HydrophobicContact CD2-CG2 4.16Å; L636-V678 HydrophobicContact CG-CG2 4.23Å; L636-V678 CarbonylContact O-C 3.46Å; L636-V678 VanDerWaalsContact O-CA 3.25Å; L636-V678 WeakPolarHBondContact O-CA 3.32Å; L636-A679 PolarHBondContact O-N 2.76Å |
| 637 | A | 91.9 | Very high | 84.3 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.4 | L617 H618 A679 | L617-A637 CarbonylContact C-O 3.32Å; L617-A637 WeakPolarHBondContact CA-O 3.23Å; H618-A637 HydrophobicContact CB-CB 4.2Å; H618-A637 PolarHBondContact N-O 2.84Å; H618-A637 PolarHBondContact O-N 2.97Å; A637-A679 CarbonylContact C-O 3.01Å; A637-A679 VanDerWaalsContact CA-O 3.29Å; A637-A679 WeakPolarHBondContact CA-O 3.22Å; A637-A679 HydrophobicContact CB-CB 3.88Å |
| 638 | L | 91.8 | Very high | 84 | Confident | 43 Ų | 43 | 55.8 Ų | 55.8 | 23% | 0.225 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 137.4 | -178.1 | -84.4 | 154.6 | 0 | 0 | 0 | 108.1 | N616 L617 I641 A679 L680 D681 | N616-L638 CarbonylContact O-C 3.57Å; N616-L638 WeakPolarHBondContact O-CA 3.47Å; L617-L638 HydrophobicContact CB-CD2 3.83Å; L617-L638 HydrophobicContact CD1-CD2 3.84Å; L617-L638 HydrophobicContact CG-CD2 3.63Å; L617-L638 HydrophobicContact CG-CG 4.28Å; L638-I641 HydrophobicContact CB-CD1 3.89Å; L638-I641 HydrophobicContact CB-CG1 4.17Å; L638-I641 HydrophobicContact CD2-CD1 3.73Å; L638-I641 HydrophobicContact CG-CD1 4.44Å; L638-A679 PolarHBondContact N-O 3.02Å; L638-L680 HydrophobicContact CB-CD2 3.76Å; L638-L680 HydrophobicContact CD1-CD2 3.55Å; L638-L680 HydrophobicContact CG-CD2 4.27Å; L638-L680 CarbonylContact O-C 3.53Å; L638-L680 VanDerWaalsContact O-CA 3.31Å; L638-L680 WeakPolarHBondContact O-CA 3.37Å; L638-D681 PolarHBondContact O-N 3.41Å |
| 639 | K | 90.6 | Very high | 84.1 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 143.2 | -176.8 | -179.7 | 170 | 175.5 | 61.4 | 0 | 113 | G615 N616 D681 | G615-K639 WeakPolarHBondContact CA-O 3.14Å; G615-K639 PolarHBondContact N-O 2.94Å; N616-K639 HydrophobicContact CB-CB 4.42Å; N616-K639 PolarHBondContact N-O 3.19Å; N616-K639 PolarHBondContact O-N 2.85Å; K639-D681 CarbonylContact C-O 3.59Å; K639-D681 VanDerWaalsContact CA-O 3.28Å; K639-D681 WeakPolarHBondContact CA-O 3.44Å; K639-D681 HydrophobicContact CB-CB 4.11Å; K639-D681 HydrophobicContact CD-CB 4.38Å; K639-D681 WeakPolarHBondContact CD-OD2 3.22Å; K639-D681 WeakPolarHBondContact CE-OD2 3.46Å; K639-D681 HydrophobicContact CG-CB 3.93Å; K639-D681 IonicContact NZ-OD1 2.65Å; K639-D681 PolarHBondContact NZ-OD1 2.73Å; K639-D681 IonicContact NZ-OD2 2.6Å; K639-D681 PolarHBondContact NZ-OD2 2.74Å |
| 640 | D | 90.8 | Very high | 83.3 | Confident | 58 Ų | 58 | 55.7 Ų | 55.7 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56 | 55.9 | 179.1 | -56.2 | -49.5 | 0 | 0 | 0 | 111.2 | A614 G615 D681 N682 | A614-D640 WeakPolarHBondContact CA-O 3.37Å; G615-D640 PolarHBondContact N-O 3.3Å; D640-D681 PolarHBondContact N-O 2.83Å; D640-N682 CarbonylContact C-O 3.44Å; D640-N682 WeakPolarHBondContact CA-O 3.5Å; D640-N682 PolarHBondContact OD1-ND2 2.84Å |
| 641 | I | 89.9 | Confident | 82.3 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.3 | -177.2 | -43.4 | -58.4 | 0 | 0 | 0 | 110.4 | K613 A614 L638 V643 N682 V683 N684 | K613-I641 CarbonylContact O-C 3.53Å; K613-I641 WeakPolarHBondContact O-CA 3.17Å; A614-I641 HydrophobicContact CB-CD1 3.26Å; L638-I641 HydrophobicContact CB-CD1 3.89Å; L638-I641 HydrophobicContact CB-CG1 4.17Å; L638-I641 HydrophobicContact CD2-CD1 3.73Å; L638-I641 HydrophobicContact CG-CD1 4.44Å; I641-V643 HydrophobicContact CG2-CG2 4.16Å; I641-N682 PolarHBondContact N-O 2.87Å; I641-N682 VanDerWaalsContact O-O 3.11Å; I641-V683 HydrophobicContact CB-CB 4.19Å; I641-V683 HydrophobicContact CB-CG1 4.02Å; I641-V683 HydrophobicContact CB-CG2 4.03Å; I641-V683 HydrophobicContact CG1-CG2 3.99Å; I641-V683 HydrophobicContact CG2-CG1 4.16Å; I641-V683 CarbonylContact O-C 3.46Å; I641-V683 VanDerWaalsContact O-CA 3.31Å; I641-V683 WeakPolarHBondContact O-CA 3.14Å; I641-N684 PolarHBondContact O-N 2.98Å |
| 642 | Q | 88.6 | Confident | 80.5 | Confident | 96 Ų | 96 | 62.6 Ų | 62.6 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.9 | 167.5 | -79.2 | 174.7 | -29.4 | 0 | 0 | 108.5 | V612 K613 N684 | V612-Q642 CarbonylContact C-O 3.47Å; V612-Q642 VanDerWaalsContact CA-O 3.24Å; V612-Q642 WeakPolarHBondContact CA-O 3.32Å; K613-Q642 HydrophobicContact CB-CB 4.31Å; K613-Q642 PolarHBondContact N-O 3.1Å; K613-Q642 PolarHBondContact O-N 2.77Å; Q642-N684 CarbonylContact C-O 3.4Å; Q642-N684 WeakPolarHBondContact CA-O 3.45Å; Q642-N684 HydrophobicContact CG-CB 4.11Å |
| 643 | V | 88.1 | Confident | 78.4 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 12% | 0.121 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 122.9 | 175.6 | 177.9 | 0 | 0 | 0 | 0 | 108.1 | V610 A611 V612 I641 I645 N684 I685 K686 | V610-V643 HydrophobicContact CG1-CG1 4.48Å; A611-V643 CarbonylContact O-C 3.54Å; A611-V643 WeakPolarHBondContact O-CA 3.46Å; V612-V643 HydrophobicContact CG1-CG2 4.13Å; V612-V643 HydrophobicContact CG2-CG1 4.39Å; V612-V643 HydrophobicContact CG2-CG2 4.25Å; I641-V643 HydrophobicContact CG2-CG2 4.16Å; V643-I645 HydrophobicContact CG1-CD1 4.02Å; V643-I645 HydrophobicContact CG1-CG1 3.9Å; V643-N684 PolarHBondContact N-O 2.92Å; V643-I685 HydrophobicContact CB-CB 4.25Å; V643-I685 HydrophobicContact CB-CG1 4.14Å; V643-I685 HydrophobicContact CB-CG2 3.99Å; V643-I685 HydrophobicContact CG1-CG2 3.99Å; V643-I685 HydrophobicContact CG2-CG1 4.4Å; V643-I685 CarbonylContact O-C 3.18Å; V643-I685 VanDerWaalsContact O-C 3.31Å; V643-I685 WeakPolarHBondContact O-CA 3.42Å; V643-K686 PolarHBondContact O-N 2.92Å |
| 644 | N | 84.7 | Confident | 76.2 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 98.3 | 168 | -67.3 | -68.2 | 0 | 0 | 0 | 108.7 | V610 A611 | V610-N644 WeakPolarHBondContact CA-O 3.49Å; A611-N644 HydrophobicContact CB-CB 4.33Å; A611-N644 PolarHBondContact N-O 3.03Å; A611-N644 PolarHBondContact O-N 2.59Å |
| 645 | I | 81.7 | Confident | 73.7 | Confident | 38 Ų | 38 | 80.5 Ų | 80.5 | 20% | 0.195 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 139.6 | 164.3 | -70.1 | 160.9 | 0 | 0 | 0 | 109.2 | G609 V610 V643 M650 K686 I687 D688 | G609-I645 VanDerWaalsContact O-CA 3.25Å; G609-I645 WeakPolarHBondContact O-CA 3.11Å; V610-I645 HydrophobicContact CG1-CG1 4.12Å; V610-I645 HydrophobicContact CG2-CG1 4.31Å; V643-I645 HydrophobicContact CG1-CD1 4.02Å; V643-I645 HydrophobicContact CG1-CG1 3.9Å; I645-M650 HydrophobicContact CB-CE 4.36Å; I645-M650 HydrophobicContact CD1-CE 4.37Å; I645-M650 HydrophobicContact CG1-CE 3.97Å; I645-M650 HydrophobicContact CG2-CE 3.59Å; I645-M650 HydrophobicContact CG2-SD 4.11Å; I645-K686 WeakPolarHBondContact CA-O 3.33Å; I645-K686 WeakPolarHBondContact CB-O 3.28Å; I645-K686 PolarHBondContact N-O 2.82Å; I645-K686 CarbonylContact O-C 3.34Å; I645-K686 VanDerWaalsContact O-O 3.14Å; I645-I687 HydrophobicContact CB-CB 4.47Å; I645-I687 HydrophobicContact CB-CG1 4.19Å; I645-I687 HydrophobicContact CD1-CG1 4.34Å; I645-I687 HydrophobicContact CG2-CB 4.39Å; I645-I687 HydrophobicContact CG2-CG1 4.46Å; I645-I687 HydrophobicContact CG2-CG2 3.91Å; I645-I687 WeakPolarHBondContact O-CA 3.26Å; I645-D688 PolarHBondContact O-N 3.19Å |
| 646 | D | 77.6 | Confident | 71.3 | Confident | 41 Ų | 41 | 86 Ų | 86 | 22% | 0.219 | 46% | 0.457 | C | S | . | . | trans | -138.2 | 100.6 | 173.8 | 179.6 | -48.3 | 0 | 0 | 0 | 104.7 | G609 K648 K649 M650 | G609-D646 WeakPolarHBondContact CA-O 3.49Å; G609-D646 PolarHBondContact O-N 2.96Å; G609-D646 VanDerWaalsContact O-N 3.08Å; D646-K648 PolarHBondContact O-N 2.7Å; D646-K648 WeakPolarHBondContact OD1-CB 3.41Å; D646-K648 PolarHBondContact OD1-N 3.33Å; D646-K649 HydrophobicContact CB-CB 4.13Å; D646-K649 HydrophobicContact CB-CD 4.14Å; D646-K649 HydrophobicContact CB-CG 4.32Å; D646-K649 CarbonylContact O-C 3.37Å; D646-K649 WeakPolarHBondContact O-CA 3.24Å; D646-K649 WeakPolarHBondContact O-CB 3.48Å; D646-K649 PolarHBondContact O-N 2.7Å; D646-K649 WeakPolarHBondContact OD1-CG 3.26Å; D646-K649 PolarHBondContact OD1-N 2.96Å; D646-K649 IonicContact OD1-NZ 2.63Å; D646-K649 IonicContact OD2-NZ 2.59Å; D646-K649 PolarHBondContact OD2-NZ 2.7Å; D646-M650 PolarHBondContact O-N 2.93Å | ||
| 647 | S | 67.9 | Low | 68.7 | Low | 57 Ų | 57 | 92.1 Ų | 92.1 | 40% | 0.399 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -23.7 | -173.3 | 74 | 0 | 0 | 0 | 0 | 111.5 | K649 M650 D688 | S647-K649 PolarHBondContact O-N 2.98Å; S647-M650 WeakPolarHBondContact O-CB 3.39Å; S647-M650 PolarHBondContact O-N 3.36Å; S647-D688 WeakPolarHBondContact CB-OD2 3.15Å; S647-D688 PolarHBondContact N-OD1 2.74Å; S647-D688 PolarHBondContact N-OD2 2.56Å; S647-D688 VanDerWaalsContact OG-CG 3.26Å; S647-D688 PolarHBondContact OG-OD1 2.84Å; S647-D688 PolarHBondContact OG-OD2 3.14Å |
| 648 | K | 65 | Low | 66.1 | Low | 165 Ų | 165 | 100.7 Ų | 100.7 | 72% | 0.717 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -23.6 | 169.4 | -57.4 | 171.3 | -171.3 | 168.3 | 0 | 112.2 | D646 D688 D689 | D646-K648 PolarHBondContact O-N 2.7Å; D646-K648 WeakPolarHBondContact OD1-CB 3.41Å; D646-K648 PolarHBondContact OD1-N 3.33Å; K648-D688 PolarHBondContact N-OD1 3.22Å; K648-D689 IonicContact NZ-OD2 3.21Å |
| 649 | K | 69.4 | Low | 63.5 | Low | 126 Ų | 126 | 106.6 Ų | 106.6 | 55% | 0.548 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -10.3 | 169.1 | -70.7 | 177.9 | -174.2 | 66 | 0 | 114 | G609 D646 S647 | G609-K649 VanDerWaalsContact CA-CB 3.46Å; D646-K649 HydrophobicContact CB-CB 4.13Å; D646-K649 HydrophobicContact CB-CD 4.14Å; D646-K649 HydrophobicContact CB-CG 4.32Å; D646-K649 CarbonylContact O-C 3.37Å; D646-K649 WeakPolarHBondContact O-CA 3.24Å; D646-K649 WeakPolarHBondContact O-CB 3.48Å; D646-K649 PolarHBondContact O-N 2.7Å; D646-K649 WeakPolarHBondContact OD1-CG 3.26Å; D646-K649 PolarHBondContact OD1-N 2.96Å; D646-K649 IonicContact OD1-NZ 2.63Å; D646-K649 IonicContact OD2-NZ 2.59Å; D646-K649 PolarHBondContact OD2-NZ 2.7Å; S647-K649 PolarHBondContact O-N 2.98Å |
| 650 | M | 57.8 | Low | 61 | Low | 71 Ų | 71 | 112.5 Ų | 112.5 | 35% | 0.35 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -79.9 | 128.8 | 168.1 | -69.7 | -178.5 | 162.8 | 0 | 0 | 109.5 | V610 I645 D646 S647 | V610-M650 HydrophobicContact CG2-CE 3.39Å; I645-M650 HydrophobicContact CB-CE 4.36Å; I645-M650 HydrophobicContact CD1-CE 4.37Å; I645-M650 HydrophobicContact CG1-CE 3.97Å; I645-M650 HydrophobicContact CG2-CE 3.59Å; I645-M650 HydrophobicContact CG2-SD 4.11Å; D646-M650 PolarHBondContact O-N 2.93Å; S647-M650 WeakPolarHBondContact O-CB 3.39Å; S647-M650 PolarHBondContact O-N 3.36Å |
| 651 | P | 56.7 | Low | 58.7 | Low | 106 Ų | 106 | 117.2 Ų | 117.2 | 69% | 0.688 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 137.1 | 172.6 | 27.6 | -32.9 | 0 | 0 | 0 | 110.4 | S653 | P651-S653 PolarHBondContact O-N 2.81Š|
| 652 | P | 45.1 | Very low | 56.4 | Low | 111 Ų | 111 | 120.3 Ų | 120.3 | 72% | 0.721 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 132.5 | -177.1 | -27.4 | 34.6 | 0 | 0 | 0 | 113.6 | ||
| 653 | S | 46.4 | Very low | 54.3 | Low | 112 Ų | 112 | 118.3 Ų | 118.3 | 78% | 0.783 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 128.1 | 166 | 52.7 | 0 | 0 | 0 | 0 | 110 | P651 Q655 | P651-S653 PolarHBondContact O-N 2.81Å; S653-Q655 PolarHBondContact O-N 2.75Å |
| 654 | E | 42.9 | Very low | 52.6 | Low | 189 Ų | 189 | 120.8 Ų | 120.8 | 88% | 0.883 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 131.5 | 178 | -68.4 | 170.6 | 122.7 | 0 | 0 | 110.7 | V656 | E654-V656 PolarHBondContact O-N 3.18Š|
| 655 | Q | 37.3 | Very low | 51 | Low | 195 Ų | 195 | 121.7 Ų | 121.7 | 91% | 0.911 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 120.2 | 170.9 | -72.8 | 177.1 | -42 | 0 | 0 | 108.8 | S653 | S653-Q655 PolarHBondContact O-N 2.75Š|
| 656 | V | 41.3 | Very low | 50.1 | Low | 132 Ų | 132 | 124.4 Ų | 124.4 | 80% | 0.8 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 137.7 | 167.1 | 179 | 0 | 0 | 0 | 0 | 107.6 | E654 E658 | E654-V656 PolarHBondContact O-N 3.18Å; V656-E658 PolarHBondContact O-N 2.75Å |
| 657 | E | 37 | Very low | 49.7 | Very low | 177 Ų | 177 | 125.8 Ų | 125.8 | 83% | 0.827 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 134 | 175.4 | -65.5 | 169.2 | 118.3 | 0 | 0 | 109.5 | E659 | E657-E659 PolarHBondContact O-N 3.19Š|
| 658 | E | 37.7 | Very low | 49.9 | Very low | 199 Ų | 199 | 126.5 Ų | 126.5 | 93% | 0.93 | 68% | 0.678 | S | S | * | * | trans | -67.5 | 98.7 | 176.5 | -66.6 | -179.9 | 142.2 | 0 | 0 | 109 | V656 | V656-E658 PolarHBondContact O-N 2.75Š| ||
| 659 | E | 36.4 | Very low | 50.2 | Low | 167 Ų | 167 | 119.4 Ų | 119.4 | 78% | 0.78 | 65% | 0.649 | S | S | * | * | trans | -62.6 | 144.8 | 179.6 | -74.3 | -168.3 | 138.7 | 0 | 0 | 111.7 | E657 D661 | E657-E659 PolarHBondContact O-N 3.19Å; E659-D661 PolarHBondContact O-N 3.03Å | ||
| 660 | E | 38.9 | Very low | 50.5 | Low | 196 Ų | 196 | 119 Ų | 119 | 92% | 0.916 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | 105 | -172.5 | -61.4 | 178 | 124.3 | 0 | 0 | 112.8 | S662 | E660-S662 VanDerWaalsContact C-N 3.31Å; E660-S662 PolarHBondContact O-N 3.29Å; E660-S662 VanDerWaalsContact O-N 3.08Å |
| 661 | D | 42.1 | Very low | 51.4 | Low | 157 Ų | 157 | 122 Ų | 122 | 84% | 0.84 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 33.1 | 60 | 172.1 | -166.1 | 16.2 | 0 | 0 | 0 | 113.3 | E659 G663 | E659-D661 PolarHBondContact O-N 3.03Å; D661-G663 PolarHBondContact O-N 3.1Å |
| 662 | S | 41.5 | Very low | 52.7 | Low | 81 Ų | 81 | 119.1 Ų | 119.1 | 57% | 0.566 | 65% | 0.649 | S | S | * | * | trans | -62.5 | 98.2 | -178.9 | 70 | 0 | 0 | 0 | 0 | 109 | E660 | E660-S662 VanDerWaalsContact C-N 3.31Å; E660-S662 PolarHBondContact O-N 3.29Å; E660-S662 VanDerWaalsContact O-N 3.08Å | ||
| 663 | G | 44.4 | Very low | 54.7 | Low | 55 Ų | 55 | 116.3 Ų | 116.3 | 57% | 0.567 | 63% | 0.627 | S | S | * | * | trans | -46.6 | 142.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D661 L665 | D661-G663 PolarHBondContact O-N 3.1Å; G663-L665 PolarHBondContact O-N 2.88Å | ||
| 664 | P | 51.8 | Low | 56.7 | Low | 71 Ų | 71 | 113.1 Ų | 113.1 | 46% | 0.461 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -38.5 | 111.7 | -150.5 | 10.3 | -29.3 | 0 | 0 | 0 | 113.6 | D666 H768 | P664-D666 WeakPolarHBondContact O-CA 3.26Å; P664-D666 PolarHBondContact O-N 3.48Å; P664-H768 HydrophobicContact CB-CB 3.82Å; P664-H768 HydrophobicContact CG-CB 3.79Å |
| 665 | L | 52.6 | Low | 59 | Low | 109 Ų | 109 | 105.5 Ų | 105.5 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | trans | -47.7 | 91.7 | -167 | -176.1 | 81.1 | 0 | 0 | 0 | 113.1 | G663 L667 P770 | G663-L665 PolarHBondContact O-N 2.88Å; L665-L667 HydrophobicContact CD2-CD1 4.1Å; L665-L667 HydrophobicContact CD2-CD2 4.3Å; L665-L667 HydrophobicContact CD2-CG 4.1Å; L665-L667 HydrophobicContact CG-CD2 4.48Å; L665-L667 HydrophobicContact CG-CG 4.23Å; L665-L667 PolarHBondContact O-N 2.93Å; L665-P770 HydrophobicContact CB-CB 4.15Å; L665-P770 CarbonylContact O-C 3.49Å; L665-P770 VanDerWaalsContact O-CA 3.3Å; L665-P770 WeakPolarHBondContact O-CA 3.47Å; L665-P770 WeakPolarHBondContact O-CB 3.27Å | ||
| 666 | D | 62 | Low | 61.5 | Low | 95 Ų | 95 | 100.7 Ų | 100.7 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | trans | -81.5 | 78.1 | -160.5 | -155.7 | 13.2 | 0 | 0 | 0 | 113.2 | P664 S668 K706 | P664-D666 WeakPolarHBondContact O-CA 3.26Å; P664-D666 PolarHBondContact O-N 3.48Å; D666-S668 PolarHBondContact O-N 3.2Å; D666-K706 VanDerWaalsContact CG-CE 3.49Å; D666-K706 WeakPolarHBondContact OD1-CD 3.25Å; D666-K706 WeakPolarHBondContact OD1-CE 3.36Å; D666-K706 IonicContact OD1-NZ 2.88Å; D666-K706 PolarHBondContact OD1-NZ 2.93Å; D666-K706 VanDerWaalsContact OD2-CE 3.25Å; D666-K706 WeakPolarHBondContact OD2-CE 3.3Å; D666-K706 IonicContact OD2-NZ 2.66Å; D666-K706 PolarHBondContact OD2-NZ 3.22Å | ||
| 667 | L | 68.7 | Low | 63.9 | Low | 71 Ų | 71 | 100.1 Ų | 100.1 | 37% | 0.372 | 54% | 0.536 | S | S | . | . | trans | -74.7 | 117 | -169.4 | -75.2 | 171.2 | 0 | 0 | 0 | 111.9 | L665 P770 L771 | L665-L667 HydrophobicContact CD2-CD1 4.1Å; L665-L667 HydrophobicContact CD2-CD2 4.3Å; L665-L667 HydrophobicContact CD2-CG 4.1Å; L665-L667 HydrophobicContact CG-CD2 4.48Å; L665-L667 HydrophobicContact CG-CG 4.23Å; L665-L667 PolarHBondContact O-N 2.93Å; L667-P770 HydrophobicContact CD1-CB 4.45Å; L667-P770 PolarHBondContact N-O 2.83Å; L667-L771 HydrophobicContact CB-CB 4.23Å; L667-L771 HydrophobicContact CB-CD2 3.97Å; L667-L771 HydrophobicContact CD1-CD2 4.04Å | ||
| 668 | S | 73.6 | Confident | 66.5 | Low | 72 Ų | 72 | 92.6 Ų | 92.6 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | trans | -140.4 | 150.1 | 177.8 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | D666 E705 | D666-S668 PolarHBondContact O-N 3.2Å; S668-E705 VanDerWaalsContact CA-O 3.27Å; S668-E705 WeakPolarHBondContact CA-O 3.35Å | ||
| 669 | T | 71 | Confident | 69.1 | Low | 16 Ų | 16 | 83.8 Ų | 83.8 | 10% | 0.098 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 133.5 | 172.3 | 38.8 | 0 | 0 | 0 | 0 | 111.9 | Y671 I673 W703 E705 | T669-Y671 VanDerWaalsContact C-N 3.29Å; T669-Y671 WeakPolarHBondContact CB-O 3.3Å; T669-I673 HydrophobicContact CG2-CD1 3.78Å; T669-I673 HydrophobicContact CG2-CG1 4.17Å; T669-W703 HydrophobicContact CG2-CB 4.36Å; T669-W703 HydrophobicContact CG2-CD2 3.37Å; T669-W703 HydrophobicContact CG2-CE3 3.61Å; T669-W703 HydrophobicContact CG2-CG 3.72Å; T669-W703 HydrophobicContact CG2-CH2 4.26Å; T669-W703 HydrophobicContact CG2-CZ2 4.06Å; T669-W703 HydrophobicContact CG2-CZ3 4.05Å; T669-W703 PolarHBondContact OG1-O 2.84Å; T669-E705 PolarHBondContact N-O 2.88Å; T669-E705 VanDerWaalsContact N-O 3.14Å; T669-E705 PolarHBondContact OG1-N 3.38Å; T669-E705 VanDerWaalsContact OG1-N 3.13Å |
| 670 | P | 74.5 | Confident | 71.7 | Confident | 118 Ų | 118 | 78.2 Ų | 78.2 | 77% | 0.766 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | -15.8 | 175.2 | 31.7 | -35.7 | 0 | 0 | 0 | 113.3 | ||
| 671 | Y | 78.1 | Confident | 74.1 | Confident | 132 Ų | 132 | 71.8 Ų | 71.8 | 52% | 0.518 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 140.4 | 178.8 | -63.1 | -60.1 | 0 | 0 | 0 | 108.9 | S629 T669 I673 | S629-Y671 WeakPolarHBondContact O-CB 3.21Å; S629-Y671 WeakPolarHBondContact O-CD1 3.36Å; T669-Y671 VanDerWaalsContact C-N 3.29Å; T669-Y671 WeakPolarHBondContact CB-O 3.3Å; Y671-I673 PolarHBondContact O-N 2.81Å |
| 672 | P | 83.5 | Confident | 76.4 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 31% | 0.305 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 131 | 177.3 | -23.7 | 34.1 | 0 | 0 | 0 | 112 | S630 V631 | S630-P672 WeakPolarHBondContact CA-O 3.48Å; S630-P672 WeakPolarHBondContact CB-O 3.48Å; V631-P672 PolarHBondContact N-O 3.08Å |
| 673 | I | 86.7 | Confident | 78.7 | Confident | 52 Ų | 52 | 64.2 Ų | 64.2 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 115.7 | 175.3 | -53.7 | -179.5 | 0 | 0 | 0 | 108.4 | V631 T669 Y671 N702 W703 | V631-I673 HydrophobicContact CB-CG1 4.47Å; V631-I673 WeakPolarHBondContact O-CA 3.22Å; T669-I673 HydrophobicContact CG2-CD1 3.78Å; T669-I673 HydrophobicContact CG2-CG1 4.17Å; Y671-I673 PolarHBondContact O-N 2.81Å; I673-N702 WeakPolarHBondContact O-CA 3.46Å; I673-W703 PolarHBondContact N-O 2.96Å; I673-W703 PolarHBondContact O-N 2.89Å |
| 674 | T | 89.8 | Confident | 80.9 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 28% | 0.276 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.6 | 178.6 | -50.4 | 0 | 0 | 0 | 0 | 109.9 | V631 C632 I633 N702 | V631-T674 PolarHBondContact O-N 2.64Å; C632-T674 WeakPolarHBondContact CA-O 3.41Å; I633-T674 PolarHBondContact N-O 3.33Å; T674-N702 PolarHBondContact OG1-OD1 2.91Å |
| 675 | L | 89.8 | Confident | 82.6 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 15% | 0.152 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 103.6 | 177.1 | -129 | 82.3 | 0 | 0 | 0 | 107.4 | I633 V678 G700 L701 | I633-L675 HydrophobicContact CB-CD1 3.78Å; I633-L675 HydrophobicContact CB-CG 4.29Å; I633-L675 HydrophobicContact CD1-CD1 3.87Å; I633-L675 HydrophobicContact CG1-CD1 4.25Å; I633-L675 HydrophobicContact CG2-CD1 4.37Å; L675-V678 HydrophobicContact CD2-CG2 3.4Å; L675-V678 HydrophobicContact CG-CG2 4.37Å; L675-G700 CarbonylContact O-C 3.56Å; L675-G700 WeakPolarHBondContact O-CA 3.41Å; L675-L701 HydrophobicContact CB-CD1 3.98Å; L675-L701 HydrophobicContact CB-CG 3.73Å; L675-L701 HydrophobicContact CD2-CD2 4.33Å; L675-L701 HydrophobicContact CD2-CG 4.24Å; L675-L701 PolarHBondContact N-O 2.75Å; L675-L701 PolarHBondContact O-N 3.28Å |
| 676 | T | 89.6 | Confident | 84.1 | Confident | 94 Ų | 94 | 62 Ų | 62 | 58% | 0.577 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -39.3 | -171.6 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | I633 N634 | I633-T676 PolarHBondContact O-N 2.93Å; N634-T676 WeakPolarHBondContact O-CB 3.47Å |
| 677 | R | 92.7 | Very high | 85.1 | Confident | 119 Ų | 119 | 60.5 Ų | 60.5 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 135.4 | 169.7 | -166.5 | 176.5 | 78.2 | 158.8 | 2.8 | 111.1 | N634 D635 L636 S699 | N634-R677 PolarHBondContact O-N 3Å; D635-R677 CarbonylContact C-O 3.55Å; D635-R677 WeakPolarHBondContact CA-O 3.13Å; D635-R677 VanDerWaalsContact CG-NH2 3.27Å; D635-R677 IonicContact OD1-CZ 2.66Å; D635-R677 IonicContact OD1-NE 3.17Å; D635-R677 PolarHBondContact OD1-NE 2.73Å; D635-R677 IonicContact OD1-NH2 3.09Å; D635-R677 PolarHBondContact OD1-NH2 2.64Å; D635-R677 IonicContact OD2-CZ 2.64Å; D635-R677 IonicContact OD2-NE 2.96Å; D635-R677 IonicContact OD2-NH2 2.57Å; D635-R677 PolarHBondContact OD2-NH2 2.78Å; L636-R677 PolarHBondContact N-O 2.85Å; R677-S699 CarbonylContact C-O 3.53Å; R677-S699 WeakPolarHBondContact CA-O 3.48Å |
| 678 | V | 91.9 | Very high | 85.5 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 144.8 | 152.3 | 158.5 | 0 | 0 | 0 | 0 | 108 | L636 L675 L680 F697 T698 S699 | L636-V678 HydrophobicContact CB-CG2 3.99Å; L636-V678 HydrophobicContact CD2-CG2 4.16Å; L636-V678 HydrophobicContact CG-CG2 4.23Å; L636-V678 CarbonylContact O-C 3.46Å; L636-V678 VanDerWaalsContact O-CA 3.25Å; L636-V678 WeakPolarHBondContact O-CA 3.32Å; L675-V678 HydrophobicContact CD2-CG2 3.4Å; L675-V678 HydrophobicContact CG-CG2 4.37Å; V678-L680 HydrophobicContact CG1-CD2 4.32Å; V678-L680 HydrophobicContact CG1-CG 4.39Å; V678-F697 HydrophobicContact CG1-CD1 4.03Å; V678-F697 HydrophobicContact CG1-CE1 3.83Å; V678-T698 VanDerWaalsContact O-CA 3.27Å; V678-T698 WeakPolarHBondContact O-CA 3.35Å; V678-S699 PolarHBondContact N-O 3.09Å; V678-S699 PolarHBondContact O-N 2.76Å |
| 679 | A | 92.2 | Very high | 85.5 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 12% | 0.116 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 138.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L636 A637 L638 F697 T698 | L636-A679 PolarHBondContact O-N 2.76Å; A637-A679 CarbonylContact C-O 3.01Å; A637-A679 VanDerWaalsContact CA-O 3.29Å; A637-A679 WeakPolarHBondContact CA-O 3.22Å; A637-A679 HydrophobicContact CB-CB 3.88Å; L638-A679 PolarHBondContact N-O 3.02Å; A679-F697 CarbonylContact C-O 3.5Å; A679-F697 WeakPolarHBondContact CA-O 3.44Å; A679-T698 HydrophobicContact CB-CG2 3.83Å |
| 680 | L | 91.4 | Very high | 85.8 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 118.9 | 168.6 | -41.9 | 170.8 | 0 | 0 | 0 | 108 | L638 V678 V683 D696 F697 | L638-L680 HydrophobicContact CB-CD2 3.76Å; L638-L680 HydrophobicContact CD1-CD2 3.55Å; L638-L680 HydrophobicContact CG-CD2 4.27Å; L638-L680 CarbonylContact O-C 3.53Å; L638-L680 VanDerWaalsContact O-CA 3.31Å; L638-L680 WeakPolarHBondContact O-CA 3.37Å; V678-L680 HydrophobicContact CG1-CD2 4.32Å; V678-L680 HydrophobicContact CG1-CG 4.39Å; L680-V683 HydrophobicContact CB-CG2 3.68Å; L680-D696 CarbonylContact O-C 3.33Å; L680-D696 VanDerWaalsContact O-CA 3.29Å; L680-D696 WeakPolarHBondContact O-CA 3.22Å; L680-F697 HydrophobicContact CB-CB 4.1Å; L680-F697 HydrophobicContact CD1-CB 4.18Å; L680-F697 HydrophobicContact CD1-CD1 3.87Å; L680-F697 HydrophobicContact CD1-CG 4.24Å; L680-F697 HydrophobicContact CG-CB 4.24Å; L680-F697 HydrophobicContact CG-CD1 3.89Å; L680-F697 HydrophobicContact CG-CG 4.47Å; L680-F697 PolarHBondContact N-O 3.36Å; L680-F697 PolarHBondContact O-N 2.6Å |
| 681 | D | 89.4 | Confident | 86.2 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.9 | -177 | 173.1 | -21 | 0 | 0 | 0 | 108.7 | L638 K639 D640 | L638-D681 PolarHBondContact O-N 3.41Å; K639-D681 CarbonylContact C-O 3.59Å; K639-D681 VanDerWaalsContact CA-O 3.28Å; K639-D681 WeakPolarHBondContact CA-O 3.44Å; K639-D681 HydrophobicContact CB-CB 4.11Å; K639-D681 HydrophobicContact CD-CB 4.38Å; K639-D681 WeakPolarHBondContact CD-OD2 3.22Å; K639-D681 WeakPolarHBondContact CE-OD2 3.46Å; K639-D681 HydrophobicContact CG-CB 3.93Å; K639-D681 IonicContact NZ-OD1 2.65Å; K639-D681 PolarHBondContact NZ-OD1 2.73Å; K639-D681 IonicContact NZ-OD2 2.6Å; K639-D681 PolarHBondContact NZ-OD2 2.74Å; D640-D681 PolarHBondContact N-O 2.83Å |
| 682 | N | 90.4 | Very high | 86.7 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 35% | 0.353 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.9 | 66.1 | 179.4 | -177.4 | 27.8 | 0 | 0 | 0 | 114 | D640 I641 N684 V694 M695 | D640-N682 CarbonylContact C-O 3.44Å; D640-N682 WeakPolarHBondContact CA-O 3.5Å; D640-N682 PolarHBondContact OD1-ND2 2.84Å; I641-N682 PolarHBondContact N-O 2.87Å; I641-N682 VanDerWaalsContact O-O 3.11Å; N682-N684 PolarHBondContact OD1-ND2 3.38Å; N682-V694 CarbonylContact C-O 3.51Å; N682-M695 PolarHBondContact N-O 2.66Å |
| 683 | V | 89.7 | Confident | 86.9 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.1 | 174.3 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | I641 L680 I685 S693 V694 | I641-V683 HydrophobicContact CB-CB 4.19Å; I641-V683 HydrophobicContact CB-CG1 4.02Å; I641-V683 HydrophobicContact CB-CG2 4.03Å; I641-V683 HydrophobicContact CG1-CG2 3.99Å; I641-V683 HydrophobicContact CG2-CG1 4.16Å; I641-V683 CarbonylContact O-C 3.46Å; I641-V683 VanDerWaalsContact O-CA 3.31Å; I641-V683 WeakPolarHBondContact O-CA 3.14Å; L680-V683 HydrophobicContact CB-CG2 3.68Å; V683-I685 HydrophobicContact CG1-CD1 4.33Å; V683-I685 HydrophobicContact CG1-CG1 3.87Å; V683-S693 CarbonylContact O-C 3.46Å; V683-S693 WeakPolarHBondContact O-CA 3.41Å; V683-V694 HydrophobicContact CB-CB 4.2Å; V683-V694 PolarHBondContact N-O 3.37Å; V683-V694 PolarHBondContact O-N 3.08Å |
| 684 | N | 89.1 | Confident | 87 | Confident | 55 Ų | 55 | 51 Ų | 51 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 93.3 | 178.7 | -61.3 | -98.3 | 0 | 0 | 0 | 109.3 | I641 Q642 V643 N682 S693 | I641-N684 PolarHBondContact O-N 2.98Å; Q642-N684 CarbonylContact C-O 3.4Å; Q642-N684 WeakPolarHBondContact CA-O 3.45Å; Q642-N684 HydrophobicContact CG-CB 4.11Å; V643-N684 PolarHBondContact N-O 2.92Å; N682-N684 PolarHBondContact OD1-ND2 3.38Å; N684-S693 PolarHBondContact OD1-OG 3.12Å |
| 685 | I | 88.2 | Confident | 87 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 26% | 0.256 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 148.2 | 175.8 | -45.2 | -179.6 | 0 | 0 | 0 | 109 | V643 V683 I687 T691 V692 | V643-I685 HydrophobicContact CB-CB 4.25Å; V643-I685 HydrophobicContact CB-CG1 4.14Å; V643-I685 HydrophobicContact CB-CG2 3.99Å; V643-I685 HydrophobicContact CG1-CG2 3.99Å; V643-I685 HydrophobicContact CG2-CG1 4.4Å; V643-I685 CarbonylContact O-C 3.18Å; V643-I685 VanDerWaalsContact O-C 3.31Å; V643-I685 WeakPolarHBondContact O-CA 3.42Å; V683-I685 HydrophobicContact CG1-CD1 4.33Å; V683-I685 HydrophobicContact CG1-CG1 3.87Å; I685-I687 HydrophobicContact CG2-CD1 4.28Å; I685-I687 HydrophobicContact CG2-CG1 3.86Å; I685-T691 WeakPolarHBondContact O-CG2 3.36Å; I685-V692 WeakPolarHBondContact CA-O 3.29Å; I685-V692 HydrophobicContact CB-CB 4.16Å; I685-V692 WeakPolarHBondContact CB-O 3.32Å; I685-V692 PolarHBondContact N-O 3.02Å; I685-V692 CarbonylContact O-C 3.29Å; I685-V692 PolarHBondContact O-N 3.1Å |
| 686 | K | 84 | Confident | 87.1 | Confident | 83 Ų | 83 | 54.6 Ų | 54.6 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.1 | 161.1 | -177.7 | 169.2 | 174.4 | 172.3 | 0 | 108.4 | V643 I645 D688 | V643-K686 PolarHBondContact O-N 2.92Å; I645-K686 WeakPolarHBondContact CA-O 3.33Å; I645-K686 WeakPolarHBondContact CB-O 3.28Å; I645-K686 PolarHBondContact N-O 2.82Å; I645-K686 CarbonylContact O-C 3.34Å; I645-K686 VanDerWaalsContact O-O 3.14Å; K686-D688 WeakPolarHBondContact CE-O 3.4Å; K686-D688 VanDerWaalsContact CG-O 3.31Å; K686-D688 WeakPolarHBondContact CG-O 3.48Å |
| 687 | I | 82.3 | Confident | 87.3 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 33% | 0.333 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 96.4 | -178.9 | -53.2 | -179 | 0 | 0 | 0 | 106.2 | I645 I685 D689 T690 | I645-I687 HydrophobicContact CB-CB 4.47Å; I645-I687 HydrophobicContact CB-CG1 4.19Å; I645-I687 HydrophobicContact CD1-CG1 4.34Å; I645-I687 HydrophobicContact CG2-CB 4.39Å; I645-I687 HydrophobicContact CG2-CG1 4.46Å; I645-I687 HydrophobicContact CG2-CG2 3.91Å; I645-I687 WeakPolarHBondContact O-CA 3.26Å; I685-I687 HydrophobicContact CG2-CD1 4.28Å; I685-I687 HydrophobicContact CG2-CG1 3.86Å; I687-D689 PolarHBondContact O-N 2.96Å; I687-T690 PolarHBondContact N-O 3.3Å; I687-T690 WeakPolarHBondContact O-CA 2.97Å; I687-T690 VanDerWaalsContact O-CB 3.28Å; I687-T690 WeakPolarHBondContact O-CB 3.25Å; I687-T690 PolarHBondContact O-N 3.37Å |
| 688 | D | 78.5 | Confident | 87.4 | Confident | 32 Ų | 32 | 48.7 Ų | 48.7 | 17% | 0.171 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -120.1 | -167.2 | -55.1 | -71.2 | 0 | 0 | 0 | 110.4 | I645 S647 K648 K686 | I645-D688 PolarHBondContact O-N 3.19Å; S647-D688 WeakPolarHBondContact CB-OD2 3.15Å; S647-D688 PolarHBondContact N-OD1 2.74Å; S647-D688 PolarHBondContact N-OD2 2.56Å; S647-D688 VanDerWaalsContact OG-CG 3.26Å; S647-D688 PolarHBondContact OG-OD1 2.84Å; S647-D688 PolarHBondContact OG-OD2 3.14Å; K648-D688 PolarHBondContact N-OD1 3.22Å; K686-D688 WeakPolarHBondContact CE-O 3.4Å; K686-D688 VanDerWaalsContact CG-O 3.31Å; K686-D688 WeakPolarHBondContact CG-O 3.48Å |
| 689 | D | 73.4 | Confident | 87.5 | Confident | 116 Ų | 116 | 48.6 Ų | 48.6 | 62% | 0.62 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -12.9 | 177.1 | -58 | -64.2 | 0 | 0 | 0 | 112.7 | K648 I687 T691 | K648-D689 IonicContact NZ-OD2 3.21Å; I687-D689 PolarHBondContact O-N 2.96Å; D689-T691 PolarHBondContact O-N 3.14Å |
| 690 | T | 76.7 | Confident | 87.5 | Confident | 46 Ų | 46 | 48 Ų | 48 | 28% | 0.282 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 96.2 | 177.7 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | I687 V692 I720 A721 L722 | I687-T690 PolarHBondContact N-O 3.3Å; I687-T690 WeakPolarHBondContact O-CA 2.97Å; I687-T690 VanDerWaalsContact O-CB 3.28Å; I687-T690 WeakPolarHBondContact O-CB 3.25Å; I687-T690 PolarHBondContact O-N 3.37Å; T690-V692 HydrophobicContact CG2-CG2 3.9Å; T690-I720 HydrophobicContact CG2-CG2 4.1Å; T690-A721 WeakPolarHBondContact CA-O 3.2Å; T690-A721 WeakPolarHBondContact CG2-O 3.41Å; T690-L722 HydrophobicContact CG2-CD2 4.45Å |
| 691 | T | 82.8 | Confident | 87.6 | Confident | 46 Ų | 46 | 47.7 Ų | 47.7 | 28% | 0.282 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 133.6 | 172.1 | -54.2 | 0 | 0 | 0 | 0 | 109.9 | I685 D689 L719 I720 A721 | I685-T691 WeakPolarHBondContact O-CG2 3.36Å; D689-T691 PolarHBondContact O-N 3.14Å; T691-L719 CarbonylContact C-O 3.35Å; T691-I720 CarbonylContact O-C 3.59Å; T691-I720 VanDerWaalsContact O-C 3.32Å; T691-I720 WeakPolarHBondContact O-CA 3.4Å; T691-A721 PolarHBondContact O-N 2.9Å |
| 692 | V | 88.1 | Confident | 87.6 | Confident | 28 Ų | 28 | 47 Ų | 47 | 17% | 0.17 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 86.6 | -178.9 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | I685 T690 L718 L719 I720 | I685-V692 WeakPolarHBondContact CA-O 3.29Å; I685-V692 HydrophobicContact CB-CB 4.16Å; I685-V692 WeakPolarHBondContact CB-O 3.32Å; I685-V692 PolarHBondContact N-O 3.02Å; I685-V692 CarbonylContact O-C 3.29Å; I685-V692 PolarHBondContact O-N 3.1Å; T690-V692 HydrophobicContact CG2-CG2 3.9Å; V692-L718 HydrophobicContact CG1-CD1 3.83Å; V692-L719 CarbonylContact C-O 3.32Å; V692-L719 WeakPolarHBondContact CA-O 3.47Å; V692-I720 HydrophobicContact CG1-CG1 4.21Å; V692-I720 HydrophobicContact CG2-CG1 4.25Å; V692-I720 HydrophobicContact CG2-CG2 4.42Å |
| 693 | S | 87.9 | Confident | 87.6 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 158.3 | 175.7 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | V683 N684 L718 L719 | V683-S693 CarbonylContact O-C 3.46Å; V683-S693 WeakPolarHBondContact O-CA 3.41Å; N684-S693 PolarHBondContact OD1-OG 3.12Å; S693-L718 CarbonylContact O-C 3.56Å; S693-L718 WeakPolarHBondContact O-CA 3.36Å; S693-L718 WeakPolarHBondContact O-CD1 3.34Å; S693-L719 PolarHBondContact N-O 2.86Å; S693-L719 PolarHBondContact O-N 3.42Å |
| 694 | V | 90.4 | Very high | 87.3 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 13% | 0.127 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 131.2 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 109 | N682 V683 D696 F697 L715 G717 L718 | N682-V694 CarbonylContact C-O 3.51Å; V683-V694 HydrophobicContact CB-CB 4.2Å; V683-V694 PolarHBondContact N-O 3.37Å; V683-V694 PolarHBondContact O-N 3.08Å; V694-D696 WeakPolarHBondContact CG1-O 3.42Å; V694-F697 HydrophobicContact CG1-CB 4.33Å; V694-L715 HydrophobicContact CB-CD1 4.33Å; V694-L715 HydrophobicContact CG1-CD1 3.44Å; V694-L715 VanDerWaalsContact CG1-CD1 3.44Å; V694-L715 HydrophobicContact CG2-CD1 3.87Å; V694-G717 WeakPolarHBondContact CA-O 3.16Å; V694-L718 HydrophobicContact CG2-CB 4.28Å; V694-L718 HydrophobicContact CG2-CD1 3.62Å |
| 695 | M | 89 | Confident | 87.1 | Confident | 105 Ų | 105 | 54 Ų | 54 | 52% | 0.517 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -42.5 | -179.9 | -177.5 | -177.6 | 64.6 | 0 | 0 | 113.5 | N682 K716 G717 | N682-M695 PolarHBondContact N-O 2.66Å; M695-K716 WeakPolarHBondContact CA-O 3.5Å; M695-K716 WeakPolarHBondContact CB-O 3.35Å; M695-K716 HydrophobicContact CE-CB 3.91Å; M695-K716 PolarHBondContact N-O 2.94Å; M695-G717 PolarHBondContact N-O 2.78Å |
| 696 | D | 91.8 | Very high | 86.7 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 144.5 | 176 | 169.3 | -103 | 0 | 0 | 0 | 109.3 | L680 V694 L715 K716 | L680-D696 CarbonylContact O-C 3.33Å; L680-D696 VanDerWaalsContact O-CA 3.29Å; L680-D696 WeakPolarHBondContact O-CA 3.22Å; V694-D696 WeakPolarHBondContact CG1-O 3.42Å; D696-L715 CarbonylContact O-C 3.6Å; D696-L715 WeakPolarHBondContact O-CA 3.12Å; D696-K716 HydrophobicContact CB-CB 4.07Å; D696-K716 HydrophobicContact CB-CD 4.33Å; D696-K716 HydrophobicContact CB-CG 4.21Å; D696-K716 PolarHBondContact N-O 2.96Å; D696-K716 VanDerWaalsContact N-O 3.1Å; D696-K716 PolarHBondContact O-N 2.91Å |
| 697 | F | 94.4 | Very high | 86.8 | Confident | 43 Ų | 43 | 54.5 Ų | 54.5 | 19% | 0.189 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 133.4 | 166.8 | 171.9 | -93.6 | 0 | 0 | 0 | 108.1 | V678 A679 L680 V694 T713 S714 L715 F778 | V678-F697 HydrophobicContact CG1-CD1 4.03Å; V678-F697 HydrophobicContact CG1-CE1 3.83Å; A679-F697 CarbonylContact C-O 3.5Å; A679-F697 WeakPolarHBondContact CA-O 3.44Å; L680-F697 HydrophobicContact CB-CB 4.1Å; L680-F697 HydrophobicContact CD1-CB 4.18Å; L680-F697 HydrophobicContact CD1-CD1 3.87Å; L680-F697 HydrophobicContact CD1-CG 4.24Å; L680-F697 HydrophobicContact CG-CB 4.24Å; L680-F697 HydrophobicContact CG-CD1 3.89Å; L680-F697 HydrophobicContact CG-CG 4.47Å; L680-F697 PolarHBondContact N-O 3.36Å; L680-F697 PolarHBondContact O-N 2.6Å; V694-F697 HydrophobicContact CG1-CB 4.33Å; F697-T713 HydrophobicContact CD2-CG2 4.31Å; F697-T713 HydrophobicContact CE2-CG2 3.47Å; F697-T713 VanDerWaalsContact CE2-CG2 3.47Å; F697-T713 HydrophobicContact CZ-CG2 3.83Å; F697-S714 CarbonylContact C-O 3.38Å; F697-S714 WeakPolarHBondContact CA-O 3.15Å; F697-S714 VanDerWaalsContact CD2-O 3.27Å; F697-S714 WeakPolarHBondContact CD2-O 3.43Å; F697-L715 HydrophobicContact CB-CD1 4.14Å; F697-L715 HydrophobicContact CD2-CB 4.05Å; F697-L715 HydrophobicContact CD2-CD1 3.92Å; F697-F778 HydrophobicContact CE2-CE2 4.27Å |
| 698 | T | 94.7 | Very high | 87.2 | Confident | 46 Ų | 46 | 53.4 Ų | 53.4 | 28% | 0.282 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 138.9 | 172.9 | 39.1 | 0 | 0 | 0 | 0 | 110.5 | V678 A679 T713 S714 | V678-T698 VanDerWaalsContact O-CA 3.27Å; V678-T698 WeakPolarHBondContact O-CA 3.35Å; A679-T698 HydrophobicContact CB-CG2 3.83Å; T698-T713 CarbonylContact O-C 3.53Å; T698-T713 VanDerWaalsContact O-CA 3.27Å; T698-T713 WeakPolarHBondContact O-CA 3.48Å; T698-S714 PolarHBondContact N-O 2.92Å; T698-S714 PolarHBondContact O-N 2.95Å |
| 699 | S | 93.9 | Very high | 87.8 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 12% | 0.119 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 173.9 | -173.9 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | R677 V678 T713 | R677-S699 CarbonylContact C-O 3.53Å; R677-S699 WeakPolarHBondContact CA-O 3.48Å; V678-S699 PolarHBondContact N-O 3.09Å; V678-S699 PolarHBondContact O-N 2.76Å; S699-T713 WeakPolarHBondContact CB-OG1 3.43Å; S699-T713 PolarHBondContact OG-OG1 3.22Å |
| 700 | G | 92.2 | Very high | 88.7 | Confident | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 162 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109 | L675 K711 | L675-G700 CarbonylContact O-C 3.56Å; L675-G700 WeakPolarHBondContact O-CA 3.41Å; G700-K711 VanDerWaalsContact O-CB 3.3Å; G700-K711 WeakPolarHBondContact O-CB 3.48Å; G700-K711 PolarHBondContact O-N 3.02Å |
| 701 | L | 93.2 | Very high | 89.4 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 23% | 0.225 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 158.5 | 175.3 | 64.9 | 80.4 | 0 | 0 | 0 | 112 | L675 L708 T709 L710 | L675-L701 HydrophobicContact CB-CD1 3.98Å; L675-L701 HydrophobicContact CB-CG 3.73Å; L675-L701 HydrophobicContact CD2-CD2 4.33Å; L675-L701 HydrophobicContact CD2-CG 4.24Å; L675-L701 PolarHBondContact N-O 2.75Å; L675-L701 PolarHBondContact O-N 3.28Å; L701-L708 HydrophobicContact CD1-CD1 4.43Å; L701-T709 CarbonylContact C-O 3.56Å; L701-T709 WeakPolarHBondContact CA-O 3.44Å; L701-L710 HydrophobicContact CB-CD1 4.21Å |
| 702 | N | 89.6 | Confident | 89.8 | Confident | 45 Ų | 45 | 52 Ų | 52 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 118.4 | 167.2 | -169.4 | 74.3 | 0 | 0 | 0 | 108.7 | I673 T674 T709 | I673-N702 WeakPolarHBondContact O-CA 3.46Å; T674-N702 PolarHBondContact OG1-OD1 2.91Å; N702-T709 PolarHBondContact N-O 3.16Å; N702-T709 PolarHBondContact O-N 3.23Å |
| 703 | W | 90.3 | Very high | 90.1 | Very high | 69 Ų | 69 | 50.8 Ų | 50.8 | 26% | 0.261 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.1 | 177 | -167.6 | 3.5 | 0 | 0 | 0 | 109.1 | T669 I673 E705 L708 | T669-W703 HydrophobicContact CG2-CB 4.36Å; T669-W703 HydrophobicContact CG2-CD2 3.37Å; T669-W703 HydrophobicContact CG2-CE3 3.61Å; T669-W703 HydrophobicContact CG2-CG 3.72Å; T669-W703 HydrophobicContact CG2-CH2 4.26Å; T669-W703 HydrophobicContact CG2-CZ2 4.06Å; T669-W703 HydrophobicContact CG2-CZ3 4.05Å; T669-W703 PolarHBondContact OG1-O 2.84Å; I673-W703 PolarHBondContact N-O 2.96Å; I673-W703 PolarHBondContact O-N 2.89Å; W703-E705 PolarHBondContact NE1-O 3.06Å; W703-L708 HydrophobicContact CB-CD1 3.78Å; W703-L708 HydrophobicContact CD2-CD1 4.34Å; W703-L708 HydrophobicContact CG-CB 4.48Å; W703-L708 HydrophobicContact CG-CD1 3.94Å |
| 704 | Q | 83.3 | Confident | 90.4 | Very high | 92 Ų | 92 | 50.8 Ų | 50.8 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 126.1 | 176.8 | 176.8 | 179.6 | -20 | 0 | 0 | 108.6 | K706 T707 | Q704-K706 PolarHBondContact O-N 3.08Å; Q704-T707 PolarHBondContact N-O 2.78Å; Q704-T707 VanDerWaalsContact N-O 3.1Å; Q704-T707 PolarHBondContact O-N 3.34Å |
| 705 | E | 84 | Confident | 90.6 | Very high | 121 Ų | 121 | 50.8 Ų | 50.8 | 57% | 0.565 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.8 | -132.5 | -176.3 | -60.6 | 160 | -134.9 | 0 | 0 | 109.4 | S668 T669 W703 T707 | S668-E705 VanDerWaalsContact CA-O 3.27Å; S668-E705 WeakPolarHBondContact CA-O 3.35Å; T669-E705 PolarHBondContact N-O 2.88Å; T669-E705 VanDerWaalsContact N-O 3.14Å; T669-E705 PolarHBondContact OG1-N 3.38Å; T669-E705 VanDerWaalsContact OG1-N 3.13Å; W703-E705 PolarHBondContact NE1-O 3.06Å; E705-T707 VanDerWaalsContact C-N 3.29Å; E705-T707 PolarHBondContact O-N 3.13Å |
| 706 | K | 80.1 | Confident | 90.7 | Very high | 80 Ų | 80 | 48.3 Ų | 48.3 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.5 | 175.6 | -53.1 | -173.2 | -174.7 | -158.1 | 0 | 114.6 | D666 Q704 L771 N772 | D666-K706 VanDerWaalsContact CG-CE 3.49Å; D666-K706 WeakPolarHBondContact OD1-CD 3.25Å; D666-K706 WeakPolarHBondContact OD1-CE 3.36Å; D666-K706 IonicContact OD1-NZ 2.88Å; D666-K706 PolarHBondContact OD1-NZ 2.93Å; D666-K706 VanDerWaalsContact OD2-CE 3.25Å; D666-K706 WeakPolarHBondContact OD2-CE 3.3Å; D666-K706 IonicContact OD2-NZ 2.66Å; D666-K706 PolarHBondContact OD2-NZ 3.22Å; Q704-K706 PolarHBondContact O-N 3.08Å; K706-L771 WeakPolarHBondContact O-CB 3.4Å; K706-N772 PolarHBondContact O-N 2.91Å |
| 707 | T | 87.2 | Confident | 90.5 | Very high | 63 Ų | 63 | 47.1 Ų | 47.1 | 39% | 0.387 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 109.2 | -171.9 | -55 | 0 | 0 | 0 | 0 | 110.9 | Q704 E705 N772 | Q704-T707 PolarHBondContact N-O 2.78Å; Q704-T707 VanDerWaalsContact N-O 3.1Å; Q704-T707 PolarHBondContact O-N 3.34Å; E705-T707 VanDerWaalsContact C-N 3.29Å; E705-T707 PolarHBondContact O-N 3.13Å; T707-N772 WeakPolarHBondContact CA-O 3.35Å |
| 708 | L | 89.7 | Confident | 90.3 | Very high | 41 Ų | 41 | 46.4 Ų | 46.4 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 110.3 | 170.5 | 179.1 | 60.7 | 0 | 0 | 0 | 109.4 | L701 W703 L771 N772 L773 N774 | L701-L708 HydrophobicContact CD1-CD1 4.43Å; W703-L708 HydrophobicContact CB-CD1 3.78Å; W703-L708 HydrophobicContact CD2-CD1 4.34Å; W703-L708 HydrophobicContact CG-CB 4.48Å; W703-L708 HydrophobicContact CG-CD1 3.94Å; L708-L771 HydrophobicContact CB-CD1 4.12Å; L708-N772 PolarHBondContact N-O 3.19Å; L708-L773 HydrophobicContact CB-CD1 4.41Å; L708-L773 HydrophobicContact CD2-CD1 4.21Å; L708-L773 HydrophobicContact CG-CD1 4.33Å; L708-N774 PolarHBondContact O-N 2.74Å |
| 709 | T | 92 | Very high | 90 | Very high | 19 Ų | 19 | 47 Ų | 47 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 114.2 | 174.7 | -66.2 | 0 | 0 | 0 | 0 | 110.7 | L701 N702 K711 N774 E776 | L701-T709 CarbonylContact C-O 3.56Å; L701-T709 WeakPolarHBondContact CA-O 3.44Å; N702-T709 PolarHBondContact N-O 3.16Å; N702-T709 PolarHBondContact O-N 3.23Å; T709-K711 HydrophobicContact CG2-CD 4.3Å; T709-N774 CarbonylContact C-O 3.03Å; T709-N774 VanDerWaalsContact CA-O 3.32Å; T709-N774 WeakPolarHBondContact CA-O 3.44Å; T709-N774 WeakPolarHBondContact CG2-ND2 3.24Å; T709-N774 PolarHBondContact OG1-ND2 2.98Å; T709-E776 HydrophobicContact CG2-CG 3.95Å; T709-E776 WeakPolarHBondContact CG2-OE1 3.32Å |
| 710 | L | 90.9 | Very high | 89.7 | Confident | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.188 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123 | 170.8 | -165.5 | 70.8 | 0 | 0 | 0 | 109.5 | L701 N774 I775 E776 F778 | L701-L710 HydrophobicContact CB-CD1 4.21Å; L710-N774 PolarHBondContact N-O 2.79Å; L710-I775 HydrophobicContact CB-CG1 4.29Å; L710-I775 HydrophobicContact CD2-CG1 4.45Å; L710-I775 HydrophobicContact CD2-CG2 4.31Å; L710-E776 WeakPolarHBondContact O-CB 3.48Å; L710-E776 PolarHBondContact O-N 3.31Å; L710-E776 VanDerWaalsContact O-N 3.08Å; L710-F778 HydrophobicContact CD2-CD2 4.09Å |
| 711 | K | 91.9 | Very high | 89.1 | Confident | 77 Ų | 77 | 49.1 Ų | 49.1 | 34% | 0.335 | 26% | 0.255 | S | S | . | . | trans | -78.4 | 167.5 | 177.5 | -63.7 | -53.4 | -167.6 | 178.4 | 0 | 111.1 | G700 T709 T713 E776 | G700-K711 VanDerWaalsContact O-CB 3.3Å; G700-K711 WeakPolarHBondContact O-CB 3.48Å; G700-K711 PolarHBondContact O-N 3.02Å; T709-K711 HydrophobicContact CG2-CD 4.3Å; K711-T713 PolarHBondContact O-N 2.89Å; K711-T713 PolarHBondContact O-OG1 3Å; K711-E776 WeakPolarHBondContact CD-OE2 3.31Å; K711-E776 IonicContact NZ-OE1 2.66Å; K711-E776 PolarHBondContact NZ-OE1 3.34Å; K711-E776 IonicContact NZ-OE2 3.22Å; K711-E776 PolarHBondContact NZ-OE2 2.81Å | ||
| 712 | P | 92.3 | Very high | 88.1 | Confident | 78 Ų | 78 | 51.3 Ų | 51.3 | 51% | 0.506 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -47.5 | 112.8 | -179.6 | -32.4 | 38.1 | 0 | 0 | 0 | 113.3 | E777 | P712-E777 CarbonylContact C-O 3.6Å; P712-E777 WeakPolarHBondContact CA-O 3.5Å; P712-E777 HydrophobicContact CB-CB 4.14Å; P712-E777 HydrophobicContact CG-CB 4.25Å |
| 713 | T | 94.1 | Very high | 86.5 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.4 | -170.6 | -64.9 | 0 | 0 | 0 | 0 | 109.5 | F697 T698 S699 K711 E777 F778 K779 | F697-T713 HydrophobicContact CD2-CG2 4.31Å; F697-T713 HydrophobicContact CE2-CG2 3.47Å; F697-T713 VanDerWaalsContact CE2-CG2 3.47Å; F697-T713 HydrophobicContact CZ-CG2 3.83Å; T698-T713 CarbonylContact O-C 3.53Å; T698-T713 VanDerWaalsContact O-CA 3.27Å; T698-T713 WeakPolarHBondContact O-CA 3.48Å; S699-T713 WeakPolarHBondContact CB-OG1 3.43Å; S699-T713 PolarHBondContact OG-OG1 3.22Å; K711-T713 PolarHBondContact O-N 2.89Å; K711-T713 PolarHBondContact O-OG1 3Å; T713-E777 PolarHBondContact N-O 3.19Å; T713-F778 HydrophobicContact CG2-CD2 3.4Å; T713-F778 VanDerWaalsContact CG2-CD2 3.4Å; T713-F778 HydrophobicContact CG2-CE2 3.56Å; T713-F778 HydrophobicContact CG2-CG 4.3Å; T713-K779 PolarHBondContact O-N 3.35Å |
| 714 | S | 93.9 | Very high | 84.4 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 140 | 176.9 | 170 | 0 | 0 | 0 | 0 | 109.1 | F697 T698 K716 K779 | F697-S714 CarbonylContact C-O 3.38Å; F697-S714 WeakPolarHBondContact CA-O 3.15Å; F697-S714 VanDerWaalsContact CD2-O 3.27Å; F697-S714 WeakPolarHBondContact CD2-O 3.43Å; T698-S714 PolarHBondContact N-O 2.92Å; T698-S714 PolarHBondContact O-N 2.95Å; S714-K716 VanDerWaalsContact OG-CE 3.26Å; S714-K716 WeakPolarHBondContact OG-CE 3.16Å; S714-K779 CarbonylContact C-O 3.46Å; S714-K779 WeakPolarHBondContact CA-O 3.48Å |
| 715 | L | 94.3 | Very high | 82.6 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 124.5 | 175.6 | 174.9 | 62.9 | 0 | 0 | 0 | 108.1 | V694 D696 F697 L718 F778 K779 G780 E781 L783 | V694-L715 HydrophobicContact CB-CD1 4.33Å; V694-L715 HydrophobicContact CG1-CD1 3.44Å; V694-L715 VanDerWaalsContact CG1-CD1 3.44Å; V694-L715 HydrophobicContact CG2-CD1 3.87Å; D696-L715 CarbonylContact O-C 3.6Å; D696-L715 WeakPolarHBondContact O-CA 3.12Å; F697-L715 HydrophobicContact CB-CD1 4.14Å; F697-L715 HydrophobicContact CD2-CB 4.05Å; F697-L715 HydrophobicContact CD2-CD1 3.92Å; L715-L718 HydrophobicContact CD2-CB 4.4Å; L715-L718 HydrophobicContact CD2-CD2 4.16Å; L715-F778 HydrophobicContact CB-CE1 4.43Å; L715-F778 HydrophobicContact CB-CZ 4.11Å; L715-F778 HydrophobicContact CD2-CE1 4.37Å; L715-F778 HydrophobicContact CD2-CZ 3.93Å; L715-K779 PolarHBondContact N-O 2.81Å; L715-G780 CarbonylContact O-C 3.45Å; L715-G780 VanDerWaalsContact O-CA 3.25Å; L715-G780 WeakPolarHBondContact O-CA 3.49Å; L715-E781 PolarHBondContact O-N 3.13Å; L715-L783 HydrophobicContact CD2-CD2 3.92Å; L715-L783 HydrophobicContact CG-CD2 3.92Å |
| 716 | K | 90.8 | Very high | 80.7 | Confident | 53 Ų | 53 | 43.4 Ų | 43.4 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.2 | -174.5 | -47 | -167.1 | 172.3 | -131.3 | 0 | 111.1 | M695 D696 S714 E781 | M695-K716 WeakPolarHBondContact CA-O 3.5Å; M695-K716 WeakPolarHBondContact CB-O 3.35Å; M695-K716 HydrophobicContact CE-CB 3.91Å; M695-K716 PolarHBondContact N-O 2.94Å; D696-K716 HydrophobicContact CB-CB 4.07Å; D696-K716 HydrophobicContact CB-CD 4.33Å; D696-K716 HydrophobicContact CB-CG 4.21Å; D696-K716 PolarHBondContact N-O 2.96Å; D696-K716 VanDerWaalsContact N-O 3.1Å; D696-K716 PolarHBondContact O-N 2.91Å; S714-K716 VanDerWaalsContact OG-CE 3.26Å; S714-K716 WeakPolarHBondContact OG-CE 3.16Å; K716-E781 CarbonylContact C-O 3.55Å; K716-E781 VanDerWaalsContact CA-O 3.23Å; K716-E781 WeakPolarHBondContact CA-O 3.49Å; K716-E781 HydrophobicContact CB-CB 4.36Å; K716-E781 WeakPolarHBondContact CE-OE2 3.21Å; K716-E781 HydrophobicContact CG-CB 4.17Å; K716-E781 IonicContact NZ-OE1 2.74Å; K716-E781 PolarHBondContact NZ-OE1 3.03Å; K716-E781 IonicContact NZ-OE2 2.72Å; K716-E781 PolarHBondContact NZ-OE2 2.8Å |
| 717 | G | 87.8 | Confident | 78.4 | Confident | 18 Ų | 18 | 46.2 Ų | 46.2 | 19% | 0.186 | 25% | 0.253 | C | S | . | . | trans | 68.2 | 34.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V694 M695 E781 Q782 | V694-G717 WeakPolarHBondContact CA-O 3.16Å; M695-G717 PolarHBondContact N-O 2.78Å; G717-E781 PolarHBondContact N-O 3.2Å; G717-Q782 CarbonylContact C-O 3.28Å; G717-Q782 WeakPolarHBondContact CA-O 3.41Å | ||
| 718 | L | 91.5 | Very high | 75.7 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | trans | -67.5 | 134.4 | 173.8 | 173.3 | 68.8 | 0 | 0 | 0 | 109.9 | V692 S693 V694 L715 I720 Q782 L783 R784 | V692-L718 HydrophobicContact CG1-CD1 3.83Å; S693-L718 CarbonylContact O-C 3.56Å; S693-L718 WeakPolarHBondContact O-CA 3.36Å; S693-L718 WeakPolarHBondContact O-CD1 3.34Å; V694-L718 HydrophobicContact CG2-CB 4.28Å; V694-L718 HydrophobicContact CG2-CD1 3.62Å; L715-L718 HydrophobicContact CD2-CB 4.4Å; L715-L718 HydrophobicContact CD2-CD2 4.16Å; L718-I720 HydrophobicContact CD1-CG1 4.13Å; L718-I720 HydrophobicContact CD2-CD1 4.29Å; L718-I720 HydrophobicContact CD2-CG1 4.44Å; L718-I720 HydrophobicContact CG-CG1 4.27Å; L718-Q782 PolarHBondContact N-O 3.32Å; L718-L783 HydrophobicContact CB-CB 3.91Å; L718-L783 HydrophobicContact CB-CD2 3.65Å; L718-L783 HydrophobicContact CB-CG 4.38Å; L718-L783 HydrophobicContact CD2-CB 4.18Å; L718-L783 HydrophobicContact CD2-CD2 4.34Å; L718-L783 HydrophobicContact CG-CB 4.39Å; L718-L783 CarbonylContact O-C 3.48Å; L718-L783 WeakPolarHBondContact O-CA 3.47Å; L718-R784 PolarHBondContact O-N 3.41Å | ||
| 719 | L | 88.2 | Confident | 72.9 | Confident | 58 Ų | 58 | 44.3 Ų | 44.3 | 30% | 0.304 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 102.9 | 174 | 169.6 | 60 | 0 | 0 | 0 | 109.9 | T691 V692 S693 R784 T786 | T691-L719 CarbonylContact C-O 3.35Å; V692-L719 CarbonylContact C-O 3.32Å; V692-L719 WeakPolarHBondContact CA-O 3.47Å; S693-L719 PolarHBondContact N-O 2.86Å; S693-L719 PolarHBondContact O-N 3.42Å; L719-R784 HydrophobicContact CD1-CB 3.84Å; L719-R784 HydrophobicContact CD1-CG 3.77Å; L719-T786 HydrophobicContact CD1-CG2 4Å |
| 720 | I | 87.2 | Confident | 69.9 | Low | 46 Ų | 46 | 51.9 Ų | 51.9 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 144.3 | 167.3 | -54.1 | 179.3 | 0 | 0 | 0 | 108.8 | T690 T691 V692 L718 L722 R784 V785 T786 | T690-I720 HydrophobicContact CG2-CG2 4.1Å; T691-I720 CarbonylContact O-C 3.59Å; T691-I720 VanDerWaalsContact O-C 3.32Å; T691-I720 WeakPolarHBondContact O-CA 3.4Å; V692-I720 HydrophobicContact CG1-CG1 4.21Å; V692-I720 HydrophobicContact CG2-CG1 4.25Å; V692-I720 HydrophobicContact CG2-CG2 4.42Å; L718-I720 HydrophobicContact CD1-CG1 4.13Å; L718-I720 HydrophobicContact CD2-CD1 4.29Å; L718-I720 HydrophobicContact CD2-CG1 4.44Å; L718-I720 HydrophobicContact CG-CG1 4.27Å; I720-L722 HydrophobicContact CG2-CD2 4.22Å; I720-L722 HydrophobicContact CG2-CG 4.39Å; I720-R784 PolarHBondContact N-O 2.79Å; I720-V785 HydrophobicContact CB-CB 4.41Å; I720-V785 HydrophobicContact CB-CG1 4.21Å; I720-V785 HydrophobicContact CB-CG2 4.22Å; I720-V785 HydrophobicContact CD1-CG2 4.32Å; I720-V785 HydrophobicContact CG2-CG1 4.13Å; I720-V785 CarbonylContact O-C 3.49Å; I720-V785 VanDerWaalsContact O-CA 3.22Å; I720-V785 WeakPolarHBondContact O-CA 3.25Å; I720-T786 PolarHBondContact O-N 2.97Å |
| 721 | A | 79.5 | Confident | 66.9 | Low | 20 Ų | 20 | 56 Ų | 56 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 142.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | T690 T691 T786 | T690-A721 WeakPolarHBondContact CA-O 3.2Å; T690-A721 WeakPolarHBondContact CG2-O 3.41Å; T691-A721 PolarHBondContact O-N 2.9Å; A721-T786 WeakPolarHBondContact CA-OG1 3.38Å; A721-T786 WeakPolarHBondContact CB-OG1 3.41Å |
| 722 | L | 71.2 | Confident | 64 | Low | 89 Ų | 89 | 61.1 Ų | 61.1 | 47% | 0.466 | 32% | 0.324 | S | S | . | . | trans | -136 | 178.8 | -178.5 | -57.2 | 176.2 | 0 | 0 | 0 | 108.9 | T690 I720 V785 T786 | T690-L722 HydrophobicContact CG2-CD2 4.45Å; I720-L722 HydrophobicContact CG2-CD2 4.22Å; I720-L722 HydrophobicContact CG2-CG 4.39Å; L722-V785 HydrophobicContact CD1-CG1 3.52Å; L722-V785 HydrophobicContact CG-CG1 4Å; L722-T786 CarbonylContact C-O 3.57Å; L722-T786 PolarHBondContact N-O 2.93Å | ||
| 723 | P | 55.6 | Low | 61 | Low | 64 Ų | 64 | 63 Ų | 63 | 42% | 0.416 | 33% | 0.334 | S | S | . | . | trans | -111.9 | -154.8 | 178.2 | 36.1 | -17.4 | 0 | 0 | 0 | 112.3 | D110 G787 D788 | D110-P723 HydrophobicContact CB-CG 4.07Å; D110-P723 CarbonylContact O-C 3.58Å; D110-P723 WeakPolarHBondContact O-CB 3.46Å; D110-P723 VanDerWaalsContact O-CG 3.24Å; D110-P723 WeakPolarHBondContact O-CG 3.35Å; P723-G787 CarbonylContact O-C 3.59Å; P723-G787 WeakPolarHBondContact O-CA 3.29Å; P723-D788 PolarHBondContact O-N 3.09Å | ||
| 724 | K | 46.6 | Very low | 58.3 | Low | 55 Ų | 55 | 69.5 Ų | 69.5 | 24% | 0.239 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -143.3 | 139.7 | -154 | -63.3 | -144.6 | 174.8 | -133.6 | 0 | 118.8 | L109 D110 T111 R112 A114 G787 D788 | L109-K724 CarbonylContact C-O 3.54Å; L109-K724 CarbonylContact O-C 3.53Å; D110-K724 CarbonylContact C-O 3.6Å; D110-K724 VanDerWaalsContact CA-C 3.45Å; D110-K724 VanDerWaalsContact CA-O 3.22Å; D110-K724 WeakPolarHBondContact CA-O 3.27Å; D110-K724 PolarHBondContact O-N 3.05Å; T111-K724 PolarHBondContact N-O 2.9Å; R112-K724 HydrophobicContact CB-CB 3.95Å; R112-K724 WeakPolarHBondContact CB-O 3.27Å; R112-K724 VanDerWaalsContact CG-O 3.23Å; R112-K724 WeakPolarHBondContact CG-O 3.12Å; R112-K724 PolarHBondContact N-O 3Å; A114-K724 HydrophobicContact CB-CD 3.77Å; K724-G787 WeakPolarHBondContact CE-O 3.38Å; K724-G787 PolarHBondContact NZ-O 2.76Å; K724-G787 VanDerWaalsContact NZ-O 3.14Å; K724-D788 VanDerWaalsContact CA-CG 3.42Å; K724-D788 WeakPolarHBondContact CA-OD1 3.42Å; K724-D788 WeakPolarHBondContact CA-OD2 3.35Å; K724-D788 WeakPolarHBondContact CB-OD1 3.15Å; K724-D788 PolarHBondContact NZ-O 3.34Å |
| 725 | V | 46.7 | Very low | 55.5 | Low | 41 Ų | 41 | 77.2 Ų | 77.2 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | trans | -118.6 | 119.3 | -159.1 | 176.7 | 0 | 0 | 0 | 0 | 118.1 | L109 D110 R112 D788 | L109-V725 HydrophobicContact CB-CB 4.01Å; L109-V725 HydrophobicContact CB-CG1 3.54Å; L109-V725 HydrophobicContact CB-CG2 4.14Å; L109-V725 HydrophobicContact CD1-CG1 3.61Å; L109-V725 HydrophobicContact CG-CG1 4.22Å; L109-V725 VanDerWaalsContact O-CA 3.26Å; L109-V725 WeakPolarHBondContact O-CA 3.1Å; D110-V725 HydrophobicContact CB-CG2 4.29Å; D110-V725 WeakPolarHBondContact OD1-CG2 3.31Å; R112-V725 PolarHBondContact NE-O 2.69Å; R112-V725 PolarHBondContact NH1-O 2.84Å; R112-V725 PolarHBondContact NH2-O 3.49Å; V725-D788 WeakPolarHBondContact CA-OD2 3.18Å; V725-D788 WeakPolarHBondContact CB-OD2 3.33Å; V725-D788 VanDerWaalsContact CG2-OD2 3.27Å; V725-D788 WeakPolarHBondContact CG2-OD2 3.22Å; V725-D788 PolarHBondContact N-OD1 3.27Å; V725-D788 PolarHBondContact N-OD2 3.48Å | ||
| 726 | A | 43.7 | Very low | 52.5 | Low | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.008 | 44% | 0.438 | C | S | . | . | trans | -85.7 | 160.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | T91 V93 R112 F127 | T91-A726 WeakPolarHBondContact O-CA 3.35Å; T91-A726 WeakPolarHBondContact O-CB 3.37Å; V93-A726 HydrophobicContact CB-CB 3.49Å; V93-A726 VanDerWaalsContact CB-CB 3.49Å; V93-A726 HydrophobicContact CG2-CB 3.43Å; V93-A726 VanDerWaalsContact CG2-CB 3.43Å; V93-A726 CarbonylContact O-C 3.51Å; R112-A726 HydrophobicContact CG-CB 3.79Å; F127-A726 HydrophobicContact CZ-CB 4.31Å | ||
| 727 | E | 31.2 | Very low | 49.9 | Very low | 139 Ų | 139 | 88.6 Ų | 88.6 | 65% | 0.65 | 47% | 0.467 | S | S | * | . | trans | -149.4 | 116.5 | 176.5 | -61.4 | -175.8 | 87.3 | 0 | 0 | 117.4 | D92 V93 V94 | D92-E727 WeakPolarHBondContact CA-O 3.28Å; V93-E727 VanDerWaalsContact C-CA 3.41Å; V93-E727 WeakPolarHBondContact O-CA 3.13Å; V93-E727 PolarHBondContact O-N 2.91Å; V93-E727 VanDerWaalsContact O-N 3.15Å; V94-E727 HydrophobicContact CG2-CB 3.97Å; V94-E727 HydrophobicContact CG2-CG 4.48Å | ||
| 728 | V | 30.1 | Very low | 47.5 | Very low | 30 Ų | 30 | 93.9 Ų | 93.9 | 18% | 0.182 | 49% | 0.49 | C | S | . | . | trans | -159 | 123.8 | 162.6 | 163.5 | 0 | 0 | 0 | 0 | 113 | D92 V94 D164 | D92-V728 HydrophobicContact CB-CB 4.38Å; D92-V728 HydrophobicContact CB-CG2 3.3Å; D92-V728 WeakPolarHBondContact OD2-CG2 3.22Å; V94-V728 WeakPolarHBondContact CA-O 3.49Å; V94-V728 VanDerWaalsContact CB-O 3.25Å; V94-V728 WeakPolarHBondContact CB-O 3.07Å; V94-V728 VanDerWaalsContact CG2-N 3.35Å; V94-V728 PolarHBondContact N-O 2.92Å; D164-V728 WeakPolarHBondContact CA-O 3.39Å; D164-V728 HydrophobicContact CB-CG1 4.3Å | ||
| 729 | A | 31.1 | Very low | 44.9 | Very low | 33 Ų | 33 | 101 Ų | 101 | 27% | 0.273 | 52% | 0.523 | S | S | . | . | trans | -168.4 | 128.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V94 R96 D164 | V94-A729 HydrophobicContact CB-CB 3.61Å; V94-A729 HydrophobicContact CG1-CB 3.64Å; R96-A729 HydrophobicContact CG-CB 3.99Å; D164-A729 WeakPolarHBondContact OD1-CB 3.33Å; D164-A729 VanDerWaalsContact OD2-CA 3.27Å; D164-A729 WeakPolarHBondContact OD2-CA 3.05Å | ||
| 730 | Q | 29.7 | Very low | 42.7 | Very low | 179 Ų | 179 | 105.7 Ų | 105.7 | 84% | 0.836 | 55% | 0.548 | S | S | * | . | trans | 176.1 | 141.9 | 135.9 | -101.4 | 169.8 | 5.7 | 0 | 0 | 114.5 | D164 | D164-Q730 PolarHBondContact OD2-N 2.82Š| ||
| 731 | E | 28.6 | Very low | 40.4 | Very low | 122 Ų | 122 | 105.2 Ų | 105.2 | 57% | 0.57 | 55% | 0.548 | S | S | * | . | trans | -102.1 | 147.1 | 172.7 | -60.3 | 140.9 | 111 | 0 | 0 | 111.5 | R96 T146 | R96-E731 IonicContact CZ-OE2 3.69Å; R96-E731 IonicContact NH1-OE2 2.81Å; R96-E731 PolarHBondContact NH1-OE2 3.18Å; R96-E731 IonicContact NH2-OE2 3.88Å; R96-E731 PolarHBondContact NH2-OE2 3.02Å; T146-E731 HydrophobicContact CG2-CG 3.71Å; T146-E731 WeakPolarHBondContact CG2-OE1 3.49Å | ||
| 732 | E | 30.3 | Very low | 38.8 | Very low | 184 Ų | 184 | 112.3 Ų | 112.3 | 86% | 0.86 | 58% | 0.578 | S | S | * | * | trans | -161.1 | 154.8 | 162 | -129.7 | -172.2 | -148.4 | 0 | 0 | 107.6 | ||||
| 733 | V | 30.1 | Very low | 37.8 | Very low | 119 Ų | 119 | 112.2 Ų | 112.2 | 72% | 0.721 | 58% | 0.582 | S | S | * | * | cis | -139.4 | 170.8 | 5.5 | -152.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 734 | V | 35.7 | Very low | 37.7 | Very low | 138 Ų | 138 | 117 Ų | 117 | 84% | 0.836 | 60% | 0.604 | S | S | * | * | trans | -114.6 | 140 | 162.9 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 735 | E | 35.2 | Very low | 38 | Very low | 182 Ų | 182 | 122.4 Ų | 122.4 | 85% | 0.85 | 63% | 0.63 | S | S | * | * | trans | -77.3 | 152.2 | -172 | -74.3 | -166.8 | 125.8 | 0 | 0 | 115.8 | ||||
| 736 | P | 31.8 | Very low | 38.7 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 77% | 0.766 | 65% | 0.648 | S | S | * | * | trans | -95.5 | 159 | 179.2 | 38.2 | -36.1 | 0 | 0 | 0 | 114.2 | ||||
| 737 | K | 36.8 | Very low | 39.9 | Very low | 196 Ų | 196 | 129.8 Ų | 129.8 | 85% | 0.852 | 67% | 0.665 | S | S | * | * | trans | -146.8 | 143.9 | 159.9 | -69.9 | -177.1 | -178.8 | 166.6 | 0 | 110.6 | ||||
| 738 | I | 36.2 | Very low | 42 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 66% | 0.662 | 66% | 0.658 | S | S | * | * | 169.1 | 138.6 | 129.8 | -89.4 | 158.8 | 0 | 0 | 0 | 110.1 | P741 | I738-P741 HydrophobicContact CG2-CB 4.49Š| |||
| 739 | E | 38.1 | Very low | 44.4 | Very low | 179 Ų | 179 | 126.6 Ų | 126.6 | 84% | 0.836 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -78 | 137.2 | 171.9 | -59.4 | 170.8 | 113 | 0 | 0 | 110.1 | ||
| 740 | N | 41.1 | Very low | 46.4 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 52.3 | 56.9 | -170 | -60.1 | -44.9 | 0 | 0 | 0 | 113.5 | Q742 | N740-Q742 PolarHBondContact O-N 3.05Š|
| 741 | P | 38.6 | Very low | 48.6 | Very low | 35 Ų | 35 | 125.4 Ų | 125.4 | 23% | 0.227 | 65% | 0.646 | C | S | . | * | trans | -63.2 | 133 | -176.6 | 27.7 | -33.9 | 0 | 0 | 0 | 111.7 | I738 Y1017 G1018 | I738-P741 HydrophobicContact CG2-CB 4.49Å; P741-Y1017 PolarHBondContact O-OH 3.17Å; P741-G1018 VanDerWaalsContact CG-CA 3.42Å | ||
| 742 | Q | 46.7 | Very low | 51 | Low | 170 Ų | 170 | 122.5 Ų | 122.5 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | trans | -88.7 | 114.1 | 153.8 | -64.9 | 178 | -15.5 | 0 | 0 | 105.1 | N740 D744 | N740-Q742 PolarHBondContact O-N 3.05Å; Q742-D744 PolarHBondContact O-N 3.46Å; Q742-D744 VanDerWaalsContact O-N 3.16Å | ||
| 743 | P | 50.2 | Low | 53.3 | Low | 87 Ų | 87 | 119 Ų | 119 | 57% | 0.565 | 62% | 0.617 | S | S | * | * | trans | -73.9 | 106.9 | -179.4 | 27.9 | -32.2 | 0 | 0 | 0 | 109.9 | E745 | P743-E745 VanDerWaalsContact C-N 3.26Š| ||
| 744 | D | 52.7 | Low | 55.4 | Low | 163 Ų | 163 | 119.5 Ų | 119.5 | 87% | 0.872 | 62% | 0.615 | S | S | * | * | trans | -73.3 | -20.3 | 170.3 | -75.9 | -35.5 | 0 | 0 | 0 | 112.2 | Q742 K746 | Q742-D744 PolarHBondContact O-N 3.46Å; Q742-D744 VanDerWaalsContact O-N 3.16Å; D744-K746 PolarHBondContact O-N 3Å | ||
| 745 | E | 53.1 | Low | 57.5 | Low | 169 Ų | 169 | 118.8 Ų | 118.8 | 79% | 0.79 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -65.1 | 126.8 | 170.9 | -70.1 | -168.8 | 134.7 | 0 | 0 | 110.7 | P743 P747 | P743-E745 VanDerWaalsContact C-N 3.26Å; E745-P747 WeakPolarHBondContact O-CD 3.38Å |
| 746 | K | 61.6 | Low | 59.7 | Low | 142 Ų | 142 | 111.9 Ų | 111.9 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 125 | 164.2 | -83 | 174.5 | 167.4 | -91.9 | 0 | 108.7 | D744 E750 | D744-K746 PolarHBondContact O-N 3Å; K746-E750 HydrophobicContact CB-CB 4.44Å; K746-E750 WeakPolarHBondContact CG-OE2 3.24Å; K746-E750 IonicContact NZ-OE2 2.67Å; K746-E750 PolarHBondContact NZ-OE2 2.83Å |
| 747 | P | 69.6 | Low | 62 | Low | 56 Ų | 56 | 109.6 Ų | 109.6 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 144.7 | 175 | -27 | 35 | 0 | 0 | 0 | 111.1 | E745 G749 E750 | E745-P747 WeakPolarHBondContact O-CD 3.38Å; P747-G749 PolarHBondContact O-N 2.8Å; P747-E750 PolarHBondContact O-N 2.98Å |
| 748 | L | 75.7 | Confident | 63.8 | Low | 98 Ų | 98 | 109.6 Ų | 109.6 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -45.4 | -32.7 | -176.2 | 175.2 | 62.4 | 0 | 0 | 0 | 113.9 | E750 T751 L752 W978 | L748-E750 PolarHBondContact O-N 2.66Å; L748-T751 PolarHBondContact O-N 3.09Å; L748-L752 HydrophobicContact CD1-CD1 4.47Å; L748-L752 HydrophobicContact CG-CD1 4.35Å; L748-L752 PolarHBondContact O-N 3.27Å; L748-W978 HydrophobicContact CB-CG 4.48Å; L748-W978 HydrophobicContact CD2-CD2 4.37Å; L748-W978 HydrophobicContact CD2-CG 4.33Å |
| 749 | G | 78.7 | Confident | 65.9 | Low | 4 Ų | 4 | 107 Ų | 107 | 4% | 0.041 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -78.5 | -0 | 178.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | P747 E953 | P747-G749 PolarHBondContact O-N 2.8Å; G749-E953 WeakPolarHBondContact CA-O 3.31Å |
| 750 | E | 75 | Confident | 67.9 | Low | 96 Ų | 96 | 102.8 Ų | 102.8 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -86.9 | -40.2 | 161.1 | -66.7 | -154.3 | 156.6 | 0 | 0 | 111.7 | K746 P747 L748 L752 K753 | K746-E750 HydrophobicContact CB-CB 4.44Å; K746-E750 WeakPolarHBondContact CG-OE2 3.24Å; K746-E750 IonicContact NZ-OE2 2.67Å; K746-E750 PolarHBondContact NZ-OE2 2.83Å; P747-E750 PolarHBondContact O-N 2.98Å; L748-E750 PolarHBondContact O-N 2.66Å; E750-L752 PolarHBondContact O-N 2.81Å; E750-K753 VanDerWaalsContact O-CB 3.27Å; E750-K753 WeakPolarHBondContact O-CB 2.98Å; E750-K753 PolarHBondContact O-N 3.24Å |
| 751 | T | 74.3 | Confident | 69.7 | Low | 90 Ų | 90 | 97.8 Ų | 97.8 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | -175.1 | -53.4 | 0 | 0 | 0 | 0 | 112.6 | L748 K753 D754 | L748-T751 PolarHBondContact O-N 3.09Å; T751-K753 PolarHBondContact O-N 2.7Å; T751-D754 PolarHBondContact O-N 2.71Å |
| 752 | L | 80.6 | Confident | 71.1 | Confident | 61 Ų | 61 | 100.7 Ų | 100.7 | 32% | 0.319 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -27.6 | 178.7 | -68.3 | 171.9 | 0 | 0 | 0 | 112.8 | L748 E750 F756 E953 | L748-L752 HydrophobicContact CD1-CD1 4.47Å; L748-L752 HydrophobicContact CG-CD1 4.35Å; L748-L752 PolarHBondContact O-N 3.27Å; E750-L752 PolarHBondContact O-N 2.81Å; L752-F756 WeakPolarHBondContact O-CD2 3.19Å; L752-E953 HydrophobicContact CB-CB 4Å |
| 753 | K | 77.4 | Confident | 71.7 | Confident | 112 Ų | 112 | 101.8 Ų | 101.8 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | -176.8 | -164.7 | -172.7 | -164.8 | 83.5 | 0 | 112.9 | E750 T751 E953 | E750-K753 VanDerWaalsContact O-CB 3.27Å; E750-K753 WeakPolarHBondContact O-CB 2.98Å; E750-K753 PolarHBondContact O-N 3.24Å; T751-K753 PolarHBondContact O-N 2.7Å; K753-E953 WeakPolarHBondContact CG-OE1 3.29Å; K753-E953 IonicContact NZ-OE1 2.62Å; K753-E953 PolarHBondContact NZ-OE1 3.15Å |
| 754 | D | 74.8 | Confident | 72.1 | Confident | 129 Ų | 129 | 103.4 Ų | 103.4 | 69% | 0.69 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -77.8 | -39.3 | -173.6 | -122.1 | 30.7 | 0 | 0 | 0 | 111.9 | T751 F756 S757 | T751-D754 PolarHBondContact O-N 2.71Å; D754-F756 VanDerWaalsContact C-N 3.32Å; D754-F756 PolarHBondContact O-N 2.9Å; D754-S757 VanDerWaalsContact O-CB 3.26Å; D754-S757 WeakPolarHBondContact O-CB 3.25Å; D754-S757 PolarHBondContact O-N 2.89Å; D754-S757 PolarHBondContact O-OG 3.27Å |
| 755 | L | 79.4 | Confident | 72.4 | Confident | 123 Ų | 123 | 101.6 Ų | 101.6 | 64% | 0.644 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -56.8 | -43.2 | -179.5 | 176.5 | 60.2 | 0 | 0 | 0 | 112.5 | S757 | L755-S757 PolarHBondContact O-N 3.06Å |
| 756 | F | 81.9 | Confident | 72.9 | Confident | 37 Ų | 37 | 96.5 Ų | 96.5 | 16% | 0.162 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 15.1 | -175.1 | -58.1 | -62.7 | 0 | 0 | 0 | 113.8 | L752 D754 R758 G889 L890 M924 | L752-F756 WeakPolarHBondContact O-CD2 3.19Å; D754-F756 VanDerWaalsContact C-N 3.32Å; D754-F756 PolarHBondContact O-N 2.9Å; F756-R758 PolarHBondContact O-N 2.86Å; F756-G889 WeakPolarHBondContact O-CA 3.32Å; F756-G889 PolarHBondContact O-N 2.74Å; F756-L890 HydrophobicContact CD1-CB 4.44Å; F756-M924 HydrophobicContact CB-CB 4.38Å; F756-M924 HydrophobicContact CD1-CB 3.9Å; F756-M924 HydrophobicContact CD1-CG 3.9Å; F756-M924 HydrophobicContact CD2-CB 3.34Å; F756-M924 HydrophobicContact CD2-CG 4.1Å; F756-M924 HydrophobicContact CE1-CB 4.01Å; F756-M924 HydrophobicContact CE1-CG 3.66Å; F756-M924 HydrophobicContact CE2-CB 3.47Å; F756-M924 VanDerWaalsContact CE2-CB 3.47Å; F756-M924 HydrophobicContact CE2-CE 4.18Å; F756-M924 HydrophobicContact CE2-CG 3.87Å; F756-M924 HydrophobicContact CG-CB 3.58Å; F756-M924 HydrophobicContact CG-CG 4.14Å; F756-M924 HydrophobicContact CZ-CB 3.81Å; F756-M924 HydrophobicContact CZ-CE 4.1Å; F756-M924 HydrophobicContact CZ-CG 3.64Å |
| 757 | S | 79.1 | Confident | 73.2 | Confident | 69 Ų | 69 | 93.1 Ų | 93.1 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.1 | 179.3 | 65.6 | 0 | 0 | 0 | 0 | 115.3 | D754 L755 | D754-S757 VanDerWaalsContact O-CB 3.26Å; D754-S757 WeakPolarHBondContact O-CB 3.25Å; D754-S757 PolarHBondContact O-N 2.89Å; D754-S757 PolarHBondContact O-OG 3.27Å; L755-S757 PolarHBondContact O-N 3.06Å |
| 758 | R | 75.7 | Confident | 73 | Confident | 197 Ų | 197 | 96.8 Ų | 96.8 | 74% | 0.743 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -135.1 | 162.4 | -172.9 | -59.6 | -175.4 | -169.8 | -175.4 | 3.8 | 113.6 | F756 | F756-R758 PolarHBondContact O-N 2.86Š|
| 759 | P | 80.3 | Confident | 72.7 | Confident | 73 Ų | 73 | 96.1 Ų | 96.1 | 47% | 0.474 | 50% | 0.503 | S | S | . | . | trans | -69.7 | 171.2 | 171.9 | -21.1 | 35.4 | 0 | 0 | 0 | 115 | A886 | P759-A886 WeakPolarHBondContact CG-O 3.38Š| ||
| 760 | V | 80 | Confident | 72.6 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -105.5 | -33.7 | 179.6 | 178.9 | 0 | 0 | 0 | 0 | 113.3 | L885 L890 | V760-L885 CarbonylContact C-O 3.55Å; V760-L885 WeakPolarHBondContact CA-O 3.49Å; V760-L885 HydrophobicContact CB-CB 4.32Å; V760-L885 HydrophobicContact CB-CD2 4.39Å; V760-L885 HydrophobicContact CG1-CD2 4.25Å; V760-L885 PolarHBondContact N-O 3Å; V760-L890 HydrophobicContact CG2-CD1 4.06Å |
| 761 | L | 78.8 | Confident | 73 | Confident | 50 Ų | 50 | 94.9 Ų | 94.9 | 26% | 0.262 | 50% | 0.501 | S | S | . | . | trans | -111.5 | 123.7 | 179.1 | -177.5 | 75 | 0 | 0 | 0 | 111 | L861 L885 | L761-L861 WeakPolarHBondContact CD2-O 3.48Å; L761-L885 HydrophobicContact CB-CB 3.48Å; L761-L885 VanDerWaalsContact CB-CB 3.48Å; L761-L885 HydrophobicContact CD2-CB 4.44Å; L761-L885 PolarHBondContact N-O 2.85Å | ||
| 762 | P | 68.1 | Low | 73.5 | Confident | 96 Ų | 96 | 91.7 Ų | 91.7 | 62% | 0.623 | 48% | 0.481 | S | S | * | . | trans | -85.8 | 169 | 172.5 | 34.7 | -34.8 | 0 | 0 | 0 | 113.2 | ||||
| 763 | E | 57.7 | Low | 73.9 | Confident | 194 Ų | 194 | 91.8 Ų | 91.8 | 91% | 0.907 | 48% | 0.481 | S | S | * | . | trans | -69 | 147.3 | 175.3 | -64.7 | -179.5 | 124.3 | 0 | 0 | 112.7 | ||||
| 764 | M | 60.1 | Low | 74.6 | Confident | 120 Ų | 120 | 88.8 Ų | 88.8 | 59% | 0.591 | 47% | 0.471 | S | S | * | . | trans | -149.8 | 170.1 | -179.3 | -59.2 | -172.2 | 80.7 | 0 | 0 | 111.3 | R862 | M764-R862 VanDerWaalsContact C-NH2 3.34Å; M764-R862 PolarHBondContact O-NH2 3.25Å; M764-R862 VanDerWaalsContact O-NH2 3.1Å | ||
| 765 | T | 59.5 | Low | 75.4 | Confident | 125 Ų | 125 | 83.8 Ų | 83.8 | 77% | 0.767 | 44% | 0.444 | S | S | * | . | trans | -95.5 | -175.6 | 175.6 | 44.6 | 0 | 0 | 0 | 0 | 112.9 | W833 R862 | T765-W833 WeakPolarHBondContact O-CZ2 3.48Å; T765-R862 PolarHBondContact O-NH2 2.79Å | ||
| 766 | D | 63.6 | Low | 76 | Confident | 62 Ų | 62 | 81.2 Ų | 81.2 | 33% | 0.332 | 43% | 0.428 | S | S | . | . | trans | -107.8 | 158.2 | -170.3 | -70.9 | -14.3 | 0 | 0 | 0 | 114.7 | S830 D831 W833 R862 | D766-S830 VanDerWaalsContact CG-CA 3.49Å; D766-S830 VanDerWaalsContact OD2-CA 3.31Å; D766-S830 WeakPolarHBondContact OD2-CA 3.43Å; D766-D831 PolarHBondContact OD2-N 2.89Å; D766-W833 PolarHBondContact OD1-NE1 2.98Å; D766-R862 IonicContact OD1-CZ 3.46Å; D766-R862 IonicContact OD1-NH1 3.53Å; D766-R862 PolarHBondContact OD1-NH1 2.99Å; D766-R862 IonicContact OD1-NH2 2.67Å | ||
| 767 | V | 66 | Low | 76.6 | Confident | 71 Ų | 71 | 81.4 Ų | 81.4 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | trans | -113.9 | 136.7 | -164 | -168.4 | 0 | 0 | 0 | 0 | 112.7 | L829 W833 | V767-L829 HydrophobicContact CB-CB 3.88Å; V767-L829 HydrophobicContact CB-CD1 4.09Å; V767-L829 HydrophobicContact CG1-CD1 4.22Å; V767-L829 HydrophobicContact CG2-CB 4.42Å; V767-L829 PolarHBondContact N-O 2.92Å; V767-W833 HydrophobicContact CG2-CH2 4.49Å; V767-W833 HydrophobicContact CG2-CZ2 3.92Å | ||
| 768 | H | 66.2 | Low | 77.4 | Confident | 134 Ų | 134 | 80.2 Ų | 80.2 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | trans | -122.4 | 148.5 | -178.1 | -65.7 | 74.5 | 0 | 0 | 0 | 111.7 | P664 | P664-H768 HydrophobicContact CB-CB 3.82Å; P664-H768 HydrophobicContact CG-CB 3.79Å | ||
| 769 | L | 70.3 | Confident | 78.3 | Confident | 83 Ų | 83 | 75 Ų | 75 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | trans | -103.1 | 149.5 | 177.4 | -81.6 | 166.2 | 0 | 0 | 0 | 111.9 | S802 | L769-S802 WeakPolarHBondContact CD1-OG 3.37Š| ||
| 770 | P | 76.5 | Confident | 78.9 | Confident | 46 Ų | 46 | 71.5 Ų | 71.5 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -77.6 | -20 | -173.2 | 30.1 | -36.4 | 0 | 0 | 0 | 115.1 | L665 L667 | L665-P770 HydrophobicContact CB-CB 4.15Å; L665-P770 CarbonylContact O-C 3.49Å; L665-P770 VanDerWaalsContact O-CA 3.3Å; L665-P770 WeakPolarHBondContact O-CA 3.47Å; L665-P770 WeakPolarHBondContact O-CB 3.27Å; L667-P770 HydrophobicContact CD1-CB 4.45Å; L667-P770 PolarHBondContact N-O 2.83Å |
| 771 | L | 81.9 | Confident | 79.3 | Confident | 29 Ų | 29 | 70.7 Ų | 70.7 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -156.5 | 164 | 175.9 | 65 | 78.2 | 0 | 0 | 0 | 111 | L667 K706 L708 L773 | L667-L771 HydrophobicContact CB-CB 4.23Å; L667-L771 HydrophobicContact CB-CD2 3.97Å; L667-L771 HydrophobicContact CD1-CD2 4.04Å; K706-L771 WeakPolarHBondContact O-CB 3.4Å; L708-L771 HydrophobicContact CB-CD1 4.12Å; L771-L773 HydrophobicContact CD1-CB 4Å |
| 772 | N | 86.4 | Confident | 79.8 | Confident | 22 Ų | 22 | 74.5 Ų | 74.5 | 12% | 0.118 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 115.7 | 176.7 | -71.6 | -20 | 0 | 0 | 0 | 109.5 | K706 T707 L708 S802 I803 D804 | K706-N772 PolarHBondContact O-N 2.91Å; T707-N772 WeakPolarHBondContact CA-O 3.35Å; L708-N772 PolarHBondContact N-O 3.19Å; N772-S802 CarbonylContact C-O 3.54Å; N772-S802 WeakPolarHBondContact CA-O 3.47Å; N772-I803 HydrophobicContact CB-CG1 4.49Å; N772-I803 WeakPolarHBondContact OD1-CA 3.36Å; N772-D804 PolarHBondContact ND2-OD1 2.8Å; N772-D804 PolarHBondContact OD1-N 3.1Å; N772-D804 PolarHBondContact OD1-OD1 2.72Å |
| 773 | L | 88.4 | Confident | 80.9 | Confident | 64 Ų | 64 | 70.6 Ų | 70.6 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 129.8 | -172.1 | -179.7 | 63.1 | 0 | 0 | 0 | 110.6 | L708 L771 I775 S801 S802 | L708-L773 HydrophobicContact CB-CD1 4.41Å; L708-L773 HydrophobicContact CD2-CD1 4.21Å; L708-L773 HydrophobicContact CG-CD1 4.33Å; L771-L773 HydrophobicContact CD1-CB 4Å; L773-I775 HydrophobicContact CD1-CG1 4.35Å; L773-I775 HydrophobicContact CD2-CD1 4.39Å; L773-I775 HydrophobicContact CG-CG1 4.32Å; L773-S801 CarbonylContact O-C 3.58Å; L773-S801 VanDerWaalsContact O-CA 3.3Å; L773-S801 WeakPolarHBondContact O-CA 3.39Å; L773-S802 PolarHBondContact N-O 3.47Å; L773-S802 PolarHBondContact O-N 3.15Å |
| 774 | N | 91.8 | Very high | 82.3 | Confident | 49 Ų | 49 | 66 Ų | 66 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 112.4 | 177.3 | 176.5 | 37.3 | 0 | 0 | 0 | 110.5 | L708 T709 L710 | L708-N774 PolarHBondContact O-N 2.74Å; T709-N774 CarbonylContact C-O 3.03Å; T709-N774 VanDerWaalsContact CA-O 3.32Å; T709-N774 WeakPolarHBondContact CA-O 3.44Å; T709-N774 WeakPolarHBondContact CG2-ND2 3.24Å; T709-N774 PolarHBondContact OG1-ND2 2.98Å; L710-N774 PolarHBondContact N-O 2.79Å |
| 775 | I | 92.7 | Very high | 83.3 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 12% | 0.123 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 101.4 | 176 | -60.7 | -177.8 | 0 | 0 | 0 | 108.1 | L710 L773 F778 L798 K799 V800 | L710-I775 HydrophobicContact CB-CG1 4.29Å; L710-I775 HydrophobicContact CD2-CG1 4.45Å; L710-I775 HydrophobicContact CD2-CG2 4.31Å; L773-I775 HydrophobicContact CD1-CG1 4.35Å; L773-I775 HydrophobicContact CD2-CD1 4.39Å; L773-I775 HydrophobicContact CG-CG1 4.32Å; I775-F778 HydrophobicContact CG2-CB 3.89Å; I775-L798 HydrophobicContact CD1-CD2 4.17Å; I775-K799 WeakPolarHBondContact O-CA 3.38Å; I775-V800 HydrophobicContact CB-CG1 4.07Å; I775-V800 HydrophobicContact CD1-CG1 3.86Å; I775-V800 HydrophobicContact CG1-CG1 4.14Å; I775-V800 PolarHBondContact N-O 2.71Å; I775-V800 PolarHBondContact O-N 2.84Å |
| 776 | E | 91.3 | Very high | 84 | Confident | 68 Ų | 68 | 57.9 Ų | 57.9 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | -39.4 | -177.2 | -63.9 | -177.8 | 171.8 | 0 | 0 | 111.9 | T709 L710 K711 K799 | T709-E776 HydrophobicContact CG2-CG 3.95Å; T709-E776 WeakPolarHBondContact CG2-OE1 3.32Å; L710-E776 WeakPolarHBondContact O-CB 3.48Å; L710-E776 PolarHBondContact O-N 3.31Å; L710-E776 VanDerWaalsContact O-N 3.08Å; K711-E776 WeakPolarHBondContact CD-OE2 3.31Å; K711-E776 IonicContact NZ-OE1 2.66Å; K711-E776 PolarHBondContact NZ-OE1 3.34Å; K711-E776 IonicContact NZ-OE2 3.22Å; K711-E776 PolarHBondContact NZ-OE2 2.81Å; E776-K799 PolarHBondContact O-NZ 3.36Å |
| 777 | E | 94 | Very high | 84.2 | Confident | 42 Ų | 42 | 55.5 Ų | 55.5 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | 126 | 174.5 | -179.4 | 157.2 | 104.6 | 0 | 0 | 110.5 | P712 T713 K779 L797 K799 | P712-E777 CarbonylContact C-O 3.6Å; P712-E777 WeakPolarHBondContact CA-O 3.5Å; P712-E777 HydrophobicContact CB-CB 4.14Å; P712-E777 HydrophobicContact CG-CB 4.25Å; T713-E777 PolarHBondContact N-O 3.19Å; E777-K779 VanDerWaalsContact CD-CE 3.47Å; E777-K779 VanDerWaalsContact CD-NZ 3.31Å; E777-K779 HydrophobicContact CG-CD 4.25Å; E777-K779 HydrophobicContact CG-CG 4.17Å; E777-K779 WeakPolarHBondContact OE1-CE 3.41Å; E777-K779 IonicContact OE1-NZ 2.65Å; E777-K779 PolarHBondContact OE1-NZ 2.85Å; E777-K779 IonicContact OE2-NZ 2.89Å; E777-L797 HydrophobicContact CG-CD1 3.78Å; E777-K799 VanDerWaalsContact OE2-CE 3.3Å; E777-K799 WeakPolarHBondContact OE2-CE 3.35Å; E777-K799 IonicContact OE2-NZ 2.71Å; E777-K799 PolarHBondContact OE2-NZ 2.97Å |
| 778 | F | 96.3 | Very high | 84 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 19% | 0.193 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.2 | 166.3 | -177.3 | -77.6 | 0 | 0 | 0 | 109.2 | F697 L710 T713 L715 I775 L797 L798 | F697-F778 HydrophobicContact CE2-CE2 4.27Å; L710-F778 HydrophobicContact CD2-CD2 4.09Å; T713-F778 HydrophobicContact CG2-CD2 3.4Å; T713-F778 VanDerWaalsContact CG2-CD2 3.4Å; T713-F778 HydrophobicContact CG2-CE2 3.56Å; T713-F778 HydrophobicContact CG2-CG 4.3Å; L715-F778 HydrophobicContact CB-CE1 4.43Å; L715-F778 HydrophobicContact CB-CZ 4.11Å; L715-F778 HydrophobicContact CD2-CE1 4.37Å; L715-F778 HydrophobicContact CD2-CZ 3.93Å; I775-F778 HydrophobicContact CG2-CB 3.89Å; F778-L797 CarbonylContact O-C 3.55Å; F778-L797 VanDerWaalsContact O-CA 3.28Å; F778-L797 WeakPolarHBondContact O-CA 3.3Å; F778-L798 HydrophobicContact CB-CB 4.32Å; F778-L798 PolarHBondContact N-O 3.05Å; F778-L798 PolarHBondContact O-N 3.12Å |
| 779 | K | 94.6 | Very high | 83.5 | Confident | 86 Ų | 86 | 51.6 Ų | 51.6 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.4 | -179.5 | -78.6 | 167.9 | 171.3 | 157.7 | 0 | 110.9 | T713 S714 L715 E777 M796 L797 | T713-K779 PolarHBondContact O-N 3.35Å; S714-K779 CarbonylContact C-O 3.46Å; S714-K779 WeakPolarHBondContact CA-O 3.48Å; L715-K779 PolarHBondContact N-O 2.81Å; E777-K779 VanDerWaalsContact CD-CE 3.47Å; E777-K779 VanDerWaalsContact CD-NZ 3.31Å; E777-K779 HydrophobicContact CG-CD 4.25Å; E777-K779 HydrophobicContact CG-CG 4.17Å; E777-K779 WeakPolarHBondContact OE1-CE 3.41Å; E777-K779 IonicContact OE1-NZ 2.65Å; E777-K779 PolarHBondContact OE1-NZ 2.85Å; E777-K779 IonicContact OE2-NZ 2.89Å; K779-M796 CarbonylContact C-O 3.5Å; K779-M796 VanDerWaalsContact CA-O 3.29Å; K779-M796 WeakPolarHBondContact CA-O 3.22Å; K779-L797 HydrophobicContact CG-CD1 3.71Å |
| 780 | G | 91.8 | Very high | 83.6 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 148.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L715 T795 M796 | L715-G780 CarbonylContact O-C 3.45Å; L715-G780 VanDerWaalsContact O-CA 3.25Å; L715-G780 WeakPolarHBondContact O-CA 3.49Å; G780-T795 CarbonylContact O-C 3.57Å; G780-T795 WeakPolarHBondContact O-CA 3.46Å; G780-M796 PolarHBondContact N-O 3.16Å; G780-M796 PolarHBondContact O-N 3.15Å |
| 781 | E | 89.7 | Confident | 83.7 | Confident | 75 Ų | 75 | 50.5 Ų | 50.5 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 137.7 | 169.6 | -65 | 178.8 | -156.4 | 0 | 0 | 109.1 | L715 K716 G717 L783 R794 T795 | L715-E781 PolarHBondContact O-N 3.13Å; K716-E781 CarbonylContact C-O 3.55Å; K716-E781 VanDerWaalsContact CA-O 3.23Å; K716-E781 WeakPolarHBondContact CA-O 3.49Å; K716-E781 HydrophobicContact CB-CB 4.36Å; K716-E781 WeakPolarHBondContact CE-OE2 3.21Å; K716-E781 HydrophobicContact CG-CB 4.17Å; K716-E781 IonicContact NZ-OE1 2.74Å; K716-E781 PolarHBondContact NZ-OE1 3.03Å; K716-E781 IonicContact NZ-OE2 2.72Å; K716-E781 PolarHBondContact NZ-OE2 2.8Å; G717-E781 PolarHBondContact N-O 3.2Å; E781-L783 VanDerWaalsContact C-N 3.27Å; E781-L783 PolarHBondContact O-N 3.12Å; E781-R794 CarbonylContact C-O 3.53Å; E781-R794 WeakPolarHBondContact CA-O 3.37Å; E781-T795 HydrophobicContact CG-CG2 4.39Å |
| 782 | Q | 88.8 | Confident | 83.9 | Confident | 130 Ų | 130 | 51 Ų | 51 | 61% | 0.607 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 46.1 | 45.6 | 179.2 | -58.3 | -171.3 | -2.6 | 0 | 0 | 114.4 | G717 L718 V793 R794 | G717-Q782 CarbonylContact C-O 3.28Å; G717-Q782 WeakPolarHBondContact CA-O 3.41Å; L718-Q782 PolarHBondContact N-O 3.32Å; Q782-V793 CarbonylContact C-O 3.45Å; Q782-V793 WeakPolarHBondContact CA-O 3.44Å; Q782-V793 PolarHBondContact N-O 3.11Å; Q782-R794 PolarHBondContact N-O 3.48Å |
| 783 | L | 90.5 | Very high | 84.1 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 156.3 | 167.2 | -26.5 | 173.8 | 0 | 0 | 0 | 109.6 | L715 L718 E781 T792 V793 M796 | L715-L783 HydrophobicContact CD2-CD2 3.92Å; L715-L783 HydrophobicContact CG-CD2 3.92Å; L718-L783 HydrophobicContact CB-CB 3.91Å; L718-L783 HydrophobicContact CB-CD2 3.65Å; L718-L783 HydrophobicContact CB-CG 4.38Å; L718-L783 HydrophobicContact CD2-CB 4.18Å; L718-L783 HydrophobicContact CD2-CD2 4.34Å; L718-L783 HydrophobicContact CG-CB 4.39Å; L718-L783 CarbonylContact O-C 3.48Å; L718-L783 WeakPolarHBondContact O-CA 3.47Å; E781-L783 VanDerWaalsContact C-N 3.27Å; E781-L783 PolarHBondContact O-N 3.12Å; L783-T792 CarbonylContact O-C 3.54Å; L783-T792 WeakPolarHBondContact O-CA 3.25Å; L783-V793 HydrophobicContact CB-CB 3.99Å; L783-V793 HydrophobicContact CD1-CB 4.28Å; L783-V793 HydrophobicContact CD1-CG1 4.17Å; L783-V793 HydrophobicContact CG-CB 4.25Å; L783-V793 HydrophobicContact CG-CG1 4.4Å; L783-V793 PolarHBondContact N-O 2.8Å; L783-V793 CarbonylContact O-C 3.48Å; L783-V793 WeakPolarHBondContact O-CA 3.41Å; L783-V793 PolarHBondContact O-N 3.08Å; L783-M796 HydrophobicContact CD1-CB 4.24Å; L783-M796 HydrophobicContact CD1-CE 4.25Å; L783-M796 HydrophobicContact CD1-SD 4.2Å |
| 784 | R | 87.3 | Confident | 84.2 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 146.4 | 178.7 | -173.2 | 165.3 | 175.9 | -149.5 | -0.9 | 111.5 | L718 L719 I720 T786 D790 I791 T792 | L718-R784 PolarHBondContact O-N 3.41Å; L719-R784 HydrophobicContact CD1-CB 3.84Å; L719-R784 HydrophobicContact CD1-CG 3.77Å; I720-R784 PolarHBondContact N-O 2.79Å; R784-T786 HydrophobicContact CG-CG2 3.65Å; R784-T786 VanDerWaalsContact NE-CG2 3.34Å; R784-D790 IonicContact CZ-OD1 3.64Å; R784-D790 IonicContact CZ-OD2 3.16Å; R784-D790 VanDerWaalsContact CZ-OD2 3.26Å; R784-D790 IonicContact NE-OD1 2.65Å; R784-D790 PolarHBondContact NE-OD1 2.84Å; R784-D790 IonicContact NE-OD2 3.86Å; R784-D790 PolarHBondContact NE-OD2 3.11Å; R784-D790 VanDerWaalsContact NE-OD2 3.07Å; R784-D790 IonicContact NH2-OD2 2.69Å; R784-D790 PolarHBondContact NH2-OD2 3.28Å; R784-I791 CarbonylContact C-O 3.59Å; R784-I791 VanDerWaalsContact CA-O 3.26Å; R784-I791 WeakPolarHBondContact CA-O 3.42Å; R784-T792 HydrophobicContact CB-CG2 4.38Å; R784-T792 WeakPolarHBondContact CD-OG1 3.47Å; R784-T792 HydrophobicContact CG-CG2 4.41Å; R784-T792 VanDerWaalsContact CG-OG1 3.32Å; R784-T792 WeakPolarHBondContact CG-OG1 3.39Å; R784-T792 PolarHBondContact NE-OG1 2.62Å |
| 785 | V | 81.9 | Confident | 84.3 | Confident | 41 Ų | 41 | 54 Ų | 54 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 106.4 | 176.4 | -170.9 | 0 | 0 | 0 | 0 | 108.6 | I720 L722 D790 I791 | I720-V785 HydrophobicContact CB-CB 4.41Å; I720-V785 HydrophobicContact CB-CG1 4.21Å; I720-V785 HydrophobicContact CB-CG2 4.22Å; I720-V785 HydrophobicContact CD1-CG2 4.32Å; I720-V785 HydrophobicContact CG2-CG1 4.13Å; I720-V785 CarbonylContact O-C 3.49Å; I720-V785 VanDerWaalsContact O-CA 3.22Å; I720-V785 WeakPolarHBondContact O-CA 3.25Å; L722-V785 HydrophobicContact CD1-CG1 3.52Å; L722-V785 HydrophobicContact CG-CG1 4Å; V785-D790 CarbonylContact O-C 3.6Å; V785-I791 HydrophobicContact CB-CB 4.26Å; V785-I791 PolarHBondContact N-O 3.33Å; V785-I791 PolarHBondContact O-N 3.41Å |
| 786 | T | 73.9 | Confident | 84.4 | Confident | 34 Ų | 34 | 55.1 Ų | 55.1 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 88 | -171.2 | 70.2 | 0 | 0 | 0 | 0 | 112.9 | L719 I720 A721 L722 R784 D790 | L719-T786 HydrophobicContact CD1-CG2 4Å; I720-T786 PolarHBondContact O-N 2.97Å; A721-T786 WeakPolarHBondContact CA-OG1 3.38Å; A721-T786 WeakPolarHBondContact CB-OG1 3.41Å; L722-T786 CarbonylContact C-O 3.57Å; L722-T786 PolarHBondContact N-O 2.93Å; R784-T786 HydrophobicContact CG-CG2 3.65Å; R784-T786 VanDerWaalsContact NE-CG2 3.34Å; T786-D790 WeakPolarHBondContact CG2-OD2 3.27Å |
| 787 | G | 68 | Low | 84.6 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -108.3 | -137.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P723 K724 T789 | P723-G787 CarbonylContact O-C 3.59Å; P723-G787 WeakPolarHBondContact O-CA 3.29Å; K724-G787 WeakPolarHBondContact CE-O 3.38Å; K724-G787 PolarHBondContact NZ-O 2.76Å; K724-G787 VanDerWaalsContact NZ-O 3.14Å; G787-T789 PolarHBondContact N-O 2.86Å; G787-T789 PolarHBondContact O-N 2.86Å |
| 788 | D | 60.8 | Low | 84.7 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -44.2 | -55.7 | 162.3 | -92.2 | -46.1 | 0 | 0 | 0 | 111.6 | R112 P723 K724 V725 | R112-D788 IonicContact CZ-OD1 3.4Å; R112-D788 IonicContact NE-OD1 3.19Å; R112-D788 IonicContact NH2-OD1 2.72Å; R112-D788 PolarHBondContact NH2-OD1 2.89Å; P723-D788 PolarHBondContact O-N 3.09Å; K724-D788 VanDerWaalsContact CA-CG 3.42Å; K724-D788 WeakPolarHBondContact CA-OD1 3.42Å; K724-D788 WeakPolarHBondContact CA-OD2 3.35Å; K724-D788 WeakPolarHBondContact CB-OD1 3.15Å; K724-D788 PolarHBondContact NZ-O 3.34Å; V725-D788 WeakPolarHBondContact CA-OD2 3.18Å; V725-D788 WeakPolarHBondContact CB-OD2 3.33Å; V725-D788 VanDerWaalsContact CG2-OD2 3.27Å; V725-D788 WeakPolarHBondContact CG2-OD2 3.22Å; V725-D788 PolarHBondContact N-OD1 3.27Å; V725-D788 PolarHBondContact N-OD2 3.48Å |
| 789 | T | 57.4 | Low | 84.7 | Confident | 71 Ų | 71 | 54.1 Ų | 54.1 | 44% | 0.436 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -99.1 | 134.3 | 172.8 | 43.4 | 0 | 0 | 0 | 0 | 108.6 | G787 | G787-T789 PolarHBondContact N-O 2.86Å; G787-T789 PolarHBondContact O-N 2.86Å |
| 790 | D | 71.4 | Confident | 84.7 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 114.4 | 171.3 | -174.1 | -42.7 | 0 | 0 | 0 | 108.3 | R784 V785 T786 T792 N817 Q818 | R784-D790 IonicContact CZ-OD1 3.64Å; R784-D790 IonicContact CZ-OD2 3.16Å; R784-D790 VanDerWaalsContact CZ-OD2 3.26Å; R784-D790 IonicContact NE-OD1 2.65Å; R784-D790 PolarHBondContact NE-OD1 2.84Å; R784-D790 IonicContact NE-OD2 3.86Å; R784-D790 PolarHBondContact NE-OD2 3.11Å; R784-D790 VanDerWaalsContact NE-OD2 3.07Å; R784-D790 IonicContact NH2-OD2 2.69Å; R784-D790 PolarHBondContact NH2-OD2 3.28Å; V785-D790 CarbonylContact O-C 3.6Å; T786-D790 WeakPolarHBondContact CG2-OD2 3.27Å; D790-T792 PolarHBondContact OD1-OG1 3.06Å; D790-N817 VanDerWaalsContact O-CG 3.3Å; D790-N817 PolarHBondContact O-ND2 3.4Å; D790-N817 PolarHBondContact O-OD1 3.2Å; D790-N817 VanDerWaalsContact O-OD1 3.07Å; D790-N817 PolarHBondContact OD1-ND2 3.31Å; D790-Q818 PolarHBondContact O-NE2 2.92Å |
| 791 | I | 79.7 | Confident | 84.6 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 78.5 | -175 | -41.6 | -166.7 | 0 | 0 | 0 | 109.8 | R784 V785 V793 N817 Q818 | R784-I791 CarbonylContact C-O 3.59Å; R784-I791 VanDerWaalsContact CA-O 3.26Å; R784-I791 WeakPolarHBondContact CA-O 3.42Å; V785-I791 HydrophobicContact CB-CB 4.26Å; V785-I791 PolarHBondContact N-O 3.33Å; V785-I791 PolarHBondContact O-N 3.41Å; I791-V793 HydrophobicContact CG2-CG2 4.49Å; I791-V793 PolarHBondContact O-N 2.72Å; I791-N817 VanDerWaalsContact CA-OD1 3.3Å; I791-N817 WeakPolarHBondContact CA-OD1 3.3Å; I791-Q818 HydrophobicContact CB-CG 4.12Å; I791-Q818 HydrophobicContact CD1-CG 4.37Å; I791-Q818 HydrophobicContact CG1-CG 3.83Å; I791-Q818 HydrophobicContact CG2-CB 4.24Å; I791-Q818 HydrophobicContact CG2-CG 3.9Å |
| 792 | T | 85.9 | Confident | 84.5 | Confident | 39 Ų | 39 | 49.2 Ų | 49.2 | 24% | 0.239 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 99.9 | 172.4 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | L783 R784 D790 R794 S816 N817 | L783-T792 CarbonylContact O-C 3.54Å; L783-T792 WeakPolarHBondContact O-CA 3.25Å; R784-T792 HydrophobicContact CB-CG2 4.38Å; R784-T792 WeakPolarHBondContact CD-OG1 3.47Å; R784-T792 HydrophobicContact CG-CG2 4.41Å; R784-T792 VanDerWaalsContact CG-OG1 3.32Å; R784-T792 WeakPolarHBondContact CG-OG1 3.39Å; R784-T792 PolarHBondContact NE-OG1 2.62Å; D790-T792 PolarHBondContact OD1-OG1 3.06Å; T792-R794 PolarHBondContact O-N 2.74Å; T792-S816 CarbonylContact O-C 3.49Å; T792-S816 WeakPolarHBondContact O-CA 3.24Å; T792-S816 WeakPolarHBondContact O-CB 3.24Å; T792-N817 VanDerWaalsContact N-CG 3.27Å; T792-N817 PolarHBondContact N-ND2 3.49Å; T792-N817 PolarHBondContact N-OD1 3.37Å; T792-N817 PolarHBondContact O-N 3.01Å; T792-N817 PolarHBondContact O-OD1 3.47Å; T792-N817 PolarHBondContact OG1-ND2 2.85Å |
| 793 | V | 89.6 | Confident | 84.2 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 99.8 | 171.2 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | Q782 L783 I791 T795 M796 I814 D815 | Q782-V793 CarbonylContact C-O 3.45Å; Q782-V793 WeakPolarHBondContact CA-O 3.44Å; Q782-V793 PolarHBondContact N-O 3.11Å; L783-V793 HydrophobicContact CB-CB 3.99Å; L783-V793 HydrophobicContact CD1-CB 4.28Å; L783-V793 HydrophobicContact CD1-CG1 4.17Å; L783-V793 HydrophobicContact CG-CB 4.25Å; L783-V793 HydrophobicContact CG-CG1 4.4Å; L783-V793 PolarHBondContact N-O 2.8Å; L783-V793 CarbonylContact O-C 3.48Å; L783-V793 WeakPolarHBondContact O-CA 3.41Å; L783-V793 PolarHBondContact O-N 3.08Å; I791-V793 HydrophobicContact CG2-CG2 4.49Å; I791-V793 PolarHBondContact O-N 2.72Å; V793-T795 WeakPolarHBondContact CG1-O 3.16Å; V793-T795 PolarHBondContact O-N 2.86Å; V793-M796 HydrophobicContact CG1-CB 4.18Å; V793-I814 HydrophobicContact CB-CG2 4.47Å; V793-I814 HydrophobicContact CG1-CG2 3.61Å; V793-I814 HydrophobicContact CG2-CG2 4.06Å; V793-D815 CarbonylContact C-O 3.24Å; V793-D815 VanDerWaalsContact C-O 3.22Å; V793-D815 VanDerWaalsContact CA-O 3.24Å; V793-D815 WeakPolarHBondContact CA-O 3.47Å; V793-D815 WeakPolarHBondContact CG1-O 3.3Å |
| 794 | R | 90.6 | Very high | 83.4 | Confident | 116 Ų | 116 | 52 Ų | 52 | 44% | 0.438 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | -41.4 | 175 | -73.7 | -178.7 | -70 | -92 | -6 | 113.6 | E781 Q782 T792 D815 S816 | E781-R794 CarbonylContact C-O 3.53Å; E781-R794 WeakPolarHBondContact CA-O 3.37Å; Q782-R794 PolarHBondContact N-O 3.48Å; T792-R794 PolarHBondContact O-N 2.74Å; R794-D815 VanDerWaalsContact CB-OD2 3.32Å; R794-D815 WeakPolarHBondContact CB-OD2 2.93Å; R794-D815 IonicContact CZ-OD1 2.68Å; R794-D815 IonicContact CZ-OD2 3.58Å; R794-D815 PolarHBondContact N-O 3Å; R794-D815 IonicContact NE-OD1 2.69Å; R794-D815 PolarHBondContact NE-OD1 3Å; R794-D815 IonicContact NE-OD2 3.67Å; R794-D815 PolarHBondContact NE-OD2 3.02Å; R794-D815 IonicContact NH2-OD1 3.12Å; R794-D815 PolarHBondContact NH2-OD1 3.39Å; R794-D815 IonicContact NH2-OD2 2.69Å; R794-S816 PolarHBondContact NH2-O 3.18Å |
| 795 | T | 94.6 | Very high | 82.7 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 42% | 0.417 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 154.8 | 173 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | G780 E781 V793 I814 D815 | G780-T795 CarbonylContact O-C 3.57Å; G780-T795 WeakPolarHBondContact O-CA 3.46Å; E781-T795 HydrophobicContact CG-CG2 4.39Å; V793-T795 WeakPolarHBondContact CG1-O 3.16Å; V793-T795 PolarHBondContact O-N 2.86Å; T795-I814 CarbonylContact O-C 3.55Å; T795-D815 PolarHBondContact N-O 3.06Å; T795-D815 PolarHBondContact O-N 2.99Å; T795-D815 WeakPolarHBondContact OG1-CB 3.44Å |
| 796 | M | 94.5 | Very high | 82.8 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.2 | 173 | 177.7 | -178.9 | -80.4 | 0 | 0 | 110.2 | K779 G780 L783 V793 D813 I814 | K779-M796 CarbonylContact C-O 3.5Å; K779-M796 VanDerWaalsContact CA-O 3.29Å; K779-M796 WeakPolarHBondContact CA-O 3.22Å; G780-M796 PolarHBondContact N-O 3.16Å; G780-M796 PolarHBondContact O-N 3.15Å; L783-M796 HydrophobicContact CD1-CB 4.24Å; L783-M796 HydrophobicContact CD1-CE 4.25Å; L783-M796 HydrophobicContact CD1-SD 4.2Å; V793-M796 HydrophobicContact CG1-CB 4.18Å; M796-D813 CarbonylContact C-O 3.46Å; M796-D813 VanDerWaalsContact CA-O 3.24Å; M796-D813 WeakPolarHBondContact CA-O 3.39Å; M796-D813 WeakPolarHBondContact CG-O 3.43Å; M796-I814 HydrophobicContact CE-CD1 4.03Å; M796-I814 HydrophobicContact CE-CG1 4.04Å; M796-I814 HydrophobicContact CE-CG2 4.42Å; M796-I814 HydrophobicContact CG-CG1 4.43Å |
| 797 | L | 96.1 | Very high | 83.4 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 18% | 0.183 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 126.8 | 167.2 | -178.8 | 63.5 | 0 | 0 | 0 | 109 | E777 F778 K779 L812 D813 | E777-L797 HydrophobicContact CG-CD1 3.78Å; F778-L797 CarbonylContact O-C 3.55Å; F778-L797 VanDerWaalsContact O-CA 3.28Å; F778-L797 WeakPolarHBondContact O-CA 3.3Å; K779-L797 HydrophobicContact CG-CD1 3.71Å; L797-L812 CarbonylContact O-C 3.5Å; L797-L812 WeakPolarHBondContact O-CA 3.3Å; L797-D813 HydrophobicContact CB-CB 4.05Å; L797-D813 PolarHBondContact N-O 3.38Å; L797-D813 PolarHBondContact O-N 3.02Å |
| 798 | L | 95.9 | Very high | 84.6 | Confident | 42 Ų | 42 | 54.4 Ų | 54.4 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.3 | 170.9 | 174.1 | 63.7 | 0 | 0 | 0 | 110.4 | I775 F778 V800 L809 A811 L812 | I775-L798 HydrophobicContact CD1-CD2 4.17Å; F778-L798 HydrophobicContact CB-CB 4.32Å; F778-L798 PolarHBondContact N-O 3.05Å; F778-L798 PolarHBondContact O-N 3.12Å; L798-V800 HydrophobicContact CD1-CB 4.11Å; L798-V800 HydrophobicContact CD1-CG1 3.91Å; L798-V800 HydrophobicContact CD2-CG1 4.26Å; L798-V800 HydrophobicContact CG-CG1 4.08Å; L798-L809 HydrophobicContact CD1-CD1 3.76Å; L798-A811 CarbonylContact C-O 3.48Å; L798-A811 WeakPolarHBondContact CA-O 3.19Å; L798-L812 HydrophobicContact CB-CD1 4.47Å; L798-L812 HydrophobicContact CD1-CB 4.38Å; L798-L812 HydrophobicContact CD1-CD1 4.3Å |
| 799 | K | 96.3 | Very high | 86.1 | Confident | 56 Ų | 56 | 53.8 Ų | 53.8 | 24% | 0.243 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 115.7 | 170.5 | -62.2 | -177.4 | -177.1 | -100.2 | 0 | 108.4 | I775 E776 E777 D810 A811 | I775-K799 WeakPolarHBondContact O-CA 3.38Å; E776-K799 PolarHBondContact O-NZ 3.36Å; E777-K799 VanDerWaalsContact OE2-CE 3.3Å; E777-K799 WeakPolarHBondContact OE2-CE 3.35Å; E777-K799 IonicContact OE2-NZ 2.71Å; E777-K799 PolarHBondContact OE2-NZ 2.97Å; K799-D810 HydrophobicContact CB-CB 3.93Å; K799-D810 PolarHBondContact O-N 3.5Å; K799-A811 HydrophobicContact CB-CB 4.37Å; K799-A811 PolarHBondContact N-O 3.25Å; K799-A811 PolarHBondContact O-N 2.95Å; K799-A811 VanDerWaalsContact O-N 3.09Å |
| 800 | V | 93.6 | Very high | 87.5 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 15% | 0.152 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 138.4 | -174.5 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | I775 L798 T807 K808 L809 | I775-V800 HydrophobicContact CB-CG1 4.07Å; I775-V800 HydrophobicContact CD1-CG1 3.86Å; I775-V800 HydrophobicContact CG1-CG1 4.14Å; I775-V800 PolarHBondContact N-O 2.71Å; I775-V800 PolarHBondContact O-N 2.84Å; L798-V800 HydrophobicContact CD1-CB 4.11Å; L798-V800 HydrophobicContact CD1-CG1 3.91Å; L798-V800 HydrophobicContact CD2-CG1 4.26Å; L798-V800 HydrophobicContact CG-CG1 4.08Å; V800-T807 HydrophobicContact CG2-CG2 4.48Å; V800-K808 WeakPolarHBondContact CA-O 3.38Å; V800-K808 WeakPolarHBondContact CG2-O 3.35Å; V800-L809 HydrophobicContact CB-CD1 4.02Å; V800-L809 HydrophobicContact CG2-CD1 4.28Å |
| 801 | S | 89.7 | Confident | 88.5 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.2 | 168.8 | 62.4 | 0 | 0 | 0 | 0 | 109.1 | L773 K808 | L773-S801 CarbonylContact O-C 3.58Å; L773-S801 VanDerWaalsContact O-CA 3.3Å; L773-S801 WeakPolarHBondContact O-CA 3.39Å; S801-K808 PolarHBondContact N-O 3.05Å; S801-K808 PolarHBondContact O-N 2.99Å |
| 802 | S | 88 | Confident | 89.2 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.2 | 165.6 | -164.3 | 0 | 0 | 0 | 0 | 109.5 | L769 N772 L773 N806 T807 | L769-S802 WeakPolarHBondContact CD1-OG 3.37Å; N772-S802 CarbonylContact C-O 3.54Å; N772-S802 WeakPolarHBondContact CA-O 3.47Å; L773-S802 PolarHBondContact N-O 3.47Å; L773-S802 PolarHBondContact O-N 3.15Å; S802-N806 WeakPolarHBondContact CA-O 3.34Å; S802-T807 PolarHBondContact OG-OG1 3.21Å |
| 803 | I | 81.7 | Confident | 89.5 | Confident | 86 Ų | 86 | 53 Ų | 53 | 44% | 0.441 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 119.4 | -174 | -58.9 | 179.6 | 0 | 0 | 0 | 107.5 | N772 G805 N806 | N772-I803 HydrophobicContact CB-CG1 4.49Å; N772-I803 WeakPolarHBondContact OD1-CA 3.36Å; I803-G805 VanDerWaalsContact C-N 3.3Å; I803-G805 PolarHBondContact O-N 3.49Å; I803-N806 PolarHBondContact N-O 2.99Å; I803-N806 VanDerWaalsContact N-O 3.13Å; I803-N806 WeakPolarHBondContact O-CB 3.15Å; I803-N806 PolarHBondContact O-N 3.4Å |
| 804 | D | 75.4 | Confident | 89.6 | Confident | 117 Ų | 117 | 53.9 Ų | 53.9 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 49.2 | 174.8 | -49.4 | -33.9 | 0 | 0 | 0 | 112.5 | N772 N806 | N772-D804 PolarHBondContact ND2-OD1 2.8Å; N772-D804 PolarHBondContact OD1-N 3.1Å; N772-D804 PolarHBondContact OD1-OD1 2.72Å; D804-N806 PolarHBondContact O-N 2.81Å; D804-N806 PolarHBondContact O-ND2 3.47Å |
| 805 | G | 71.3 | Confident | 89.6 | Confident | 15 Ų | 15 | 50 Ų | 50 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -12.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | I803 T807 | I803-G805 VanDerWaalsContact C-N 3.3Å; I803-G805 PolarHBondContact O-N 3.49Å; G805-T807 PolarHBondContact O-N 3.48Å |
| 806 | N | 83.7 | Confident | 89.4 | Confident | 87 Ų | 87 | 47.1 Ų | 47.1 | 47% | 0.465 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 102 | 176.9 | -65.9 | -88.2 | 0 | 0 | 0 | 109.7 | S802 I803 D804 | S802-N806 WeakPolarHBondContact CA-O 3.34Å; I803-N806 PolarHBondContact N-O 2.99Å; I803-N806 VanDerWaalsContact N-O 3.13Å; I803-N806 WeakPolarHBondContact O-CB 3.15Å; I803-N806 PolarHBondContact O-N 3.4Å; D804-N806 PolarHBondContact O-N 2.81Å; D804-N806 PolarHBondContact O-ND2 3.47Å |
| 807 | T | 87.6 | Confident | 88.7 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.1 | -179.3 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | V800 S802 G805 T826 A827 | V800-T807 HydrophobicContact CG2-CG2 4.48Å; S802-T807 PolarHBondContact OG-OG1 3.21Å; G805-T807 PolarHBondContact O-N 3.48Å; T807-T826 VanDerWaalsContact O-CA 3.28Å; T807-T826 WeakPolarHBondContact O-CA 3.19Å; T807-A827 PolarHBondContact N-O 2.78Å; T807-A827 PolarHBondContact O-N 3.09Å |
| 808 | K | 92.6 | Very high | 88.1 | Confident | 90 Ų | 90 | 46.8 Ų | 46.8 | 39% | 0.391 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 114.3 | 177.7 | 174.4 | 171.8 | 173.2 | -89.4 | 0 | 110.3 | V800 S801 D810 T826 | V800-K808 WeakPolarHBondContact CA-O 3.38Å; V800-K808 WeakPolarHBondContact CG2-O 3.35Å; S801-K808 PolarHBondContact N-O 3.05Å; S801-K808 PolarHBondContact O-N 2.99Å; K808-D810 WeakPolarHBondContact CE-OD1 3.34Å; K808-D810 IonicContact NZ-OD1 3Å; K808-D810 PolarHBondContact NZ-OD1 2.94Å; K808-D810 IonicContact NZ-OD2 3.96Å; K808-D810 PolarHBondContact NZ-OD2 2.92Å; K808-T826 HydrophobicContact CB-CG2 4.19Å; K808-T826 HydrophobicContact CG-CG2 4.27Å |
| 809 | L | 91.9 | Very high | 87.7 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 20% | 0.204 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 101.7 | 173.4 | -177.5 | 65 | 0 | 0 | 0 | 108.9 | L798 V800 L812 A823 S824 G825 | L798-L809 HydrophobicContact CD1-CD1 3.76Å; V800-L809 HydrophobicContact CB-CD1 4.02Å; V800-L809 HydrophobicContact CG2-CD1 4.28Å; L809-L812 HydrophobicContact CD1-CB 4.09Å; L809-L812 HydrophobicContact CD2-CB 4.12Å; L809-L812 HydrophobicContact CG-CB 4.47Å; L809-A823 HydrophobicContact CD2-CB 4.13Å; L809-S824 WeakPolarHBondContact O-CA 3.38Å; L809-G825 PolarHBondContact N-O 3.16Å; L809-G825 PolarHBondContact O-N 3.44Å |
| 810 | D | 88.4 | Confident | 87.4 | Confident | 86 Ų | 86 | 45.3 Ų | 45.3 | 46% | 0.46 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -41.8 | 177.3 | -85.9 | -68.1 | 0 | 0 | 0 | 111.9 | K799 K808 | K799-D810 HydrophobicContact CB-CB 3.93Å; K799-D810 PolarHBondContact O-N 3.5Å; K808-D810 WeakPolarHBondContact CE-OD1 3.34Å; K808-D810 IonicContact NZ-OD1 3Å; K808-D810 PolarHBondContact NZ-OD1 2.94Å; K808-D810 IonicContact NZ-OD2 3.96Å; K808-D810 PolarHBondContact NZ-OD2 2.92Å |
| 811 | A | 91.8 | Very high | 87.3 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 137.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L798 K799 A823 | L798-A811 CarbonylContact C-O 3.48Å; L798-A811 WeakPolarHBondContact CA-O 3.19Å; K799-A811 HydrophobicContact CB-CB 4.37Å; K799-A811 PolarHBondContact N-O 3.25Å; K799-A811 PolarHBondContact O-N 2.95Å; K799-A811 VanDerWaalsContact O-N 3.09Å; A811-A823 CarbonylContact C-O 3.58Å |
| 812 | L | 94.4 | Very high | 87.4 | Confident | 46 Ų | 46 | 47.6 Ų | 47.6 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 96.8 | 156.3 | 172 | 60 | 0 | 0 | 0 | 107.8 | L797 L798 L809 I814 N822 A823 | L797-L812 CarbonylContact O-C 3.5Å; L797-L812 WeakPolarHBondContact O-CA 3.3Å; L798-L812 HydrophobicContact CB-CD1 4.47Å; L798-L812 HydrophobicContact CD1-CB 4.38Å; L798-L812 HydrophobicContact CD1-CD1 4.3Å; L809-L812 HydrophobicContact CD1-CB 4.09Å; L809-L812 HydrophobicContact CD2-CB 4.12Å; L809-L812 HydrophobicContact CG-CB 4.47Å; L812-I814 HydrophobicContact CD1-CD1 4.06Å; L812-I814 HydrophobicContact CD1-CG1 3.92Å; L812-I814 HydrophobicContact CD2-CD1 4.44Å; L812-I814 HydrophobicContact CG-CD1 4.22Å; L812-I814 HydrophobicContact CG-CG1 4.21Å; L812-N822 CarbonylContact O-C 3.48Å; L812-N822 VanDerWaalsContact O-CA 3.29Å; L812-N822 WeakPolarHBondContact O-CA 3.42Å; L812-A823 HydrophobicContact CB-CB 4.33Å; L812-A823 PolarHBondContact N-O 3.35Å; L812-A823 PolarHBondContact O-N 3.48Å |
| 813 | D | 91.8 | Very high | 87.6 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 138.5 | 172.2 | -51.5 | -45.6 | 0 | 0 | 0 | 109.7 | M796 L797 V821 N822 | M796-D813 CarbonylContact C-O 3.46Å; M796-D813 VanDerWaalsContact CA-O 3.24Å; M796-D813 WeakPolarHBondContact CA-O 3.39Å; M796-D813 WeakPolarHBondContact CG-O 3.43Å; L797-D813 HydrophobicContact CB-CB 4.05Å; L797-D813 PolarHBondContact N-O 3.38Å; L797-D813 PolarHBondContact O-N 3.02Å; D813-V821 CarbonylContact C-O 3.39Å; D813-V821 VanDerWaalsContact CA-O 3.27Å; D813-V821 WeakPolarHBondContact CA-O 3.25Å; D813-N822 PolarHBondContact OD1-ND2 3.42Å |
| 814 | I | 92.3 | Very high | 88.2 | Confident | 32 Ų | 32 | 45.5 Ų | 45.5 | 16% | 0.164 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 134.6 | 178.6 | -51.1 | -178.7 | 0 | 0 | 0 | 106.5 | V793 T795 M796 L812 I820 V821 | V793-I814 HydrophobicContact CB-CG2 4.47Å; V793-I814 HydrophobicContact CG1-CG2 3.61Å; V793-I814 HydrophobicContact CG2-CG2 4.06Å; T795-I814 CarbonylContact O-C 3.55Å; M796-I814 HydrophobicContact CE-CD1 4.03Å; M796-I814 HydrophobicContact CE-CG1 4.04Å; M796-I814 HydrophobicContact CE-CG2 4.42Å; M796-I814 HydrophobicContact CG-CG1 4.43Å; L812-I814 HydrophobicContact CD1-CD1 4.06Å; L812-I814 HydrophobicContact CD1-CG1 3.92Å; L812-I814 HydrophobicContact CD2-CD1 4.44Å; L812-I814 HydrophobicContact CG-CD1 4.22Å; L812-I814 HydrophobicContact CG-CG1 4.21Å; I814-I820 CarbonylContact O-C 3.44Å; I814-I820 WeakPolarHBondContact O-CA 3.45Å; I814-I820 VanDerWaalsContact O-CG2 3.22Å; I814-I820 WeakPolarHBondContact O-CG2 3.43Å; I814-V821 HydrophobicContact CB-CB 4.09Å; I814-V821 HydrophobicContact CD1-CB 4.28Å; I814-V821 HydrophobicContact CG1-CB 4.3Å; I814-V821 PolarHBondContact N-O 3.32Å; I814-V821 PolarHBondContact O-N 2.94Å |
| 815 | D | 89.7 | Confident | 88.9 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120.3 | 166.3 | 172.1 | 31.7 | 0 | 0 | 0 | 108.4 | V793 R794 T795 I820 | V793-D815 CarbonylContact C-O 3.24Å; V793-D815 VanDerWaalsContact C-O 3.22Å; V793-D815 VanDerWaalsContact CA-O 3.24Å; V793-D815 WeakPolarHBondContact CA-O 3.47Å; V793-D815 WeakPolarHBondContact CG1-O 3.3Å; R794-D815 VanDerWaalsContact CB-OD2 3.32Å; R794-D815 WeakPolarHBondContact CB-OD2 2.93Å; R794-D815 IonicContact CZ-OD1 2.68Å; R794-D815 IonicContact CZ-OD2 3.58Å; R794-D815 PolarHBondContact N-O 3Å; R794-D815 IonicContact NE-OD1 2.69Å; R794-D815 PolarHBondContact NE-OD1 3Å; R794-D815 IonicContact NE-OD2 3.67Å; R794-D815 PolarHBondContact NE-OD2 3.02Å; R794-D815 IonicContact NH2-OD1 3.12Å; R794-D815 PolarHBondContact NH2-OD1 3.39Å; R794-D815 IonicContact NH2-OD2 2.69Å; T795-D815 PolarHBondContact N-O 3.06Å; T795-D815 PolarHBondContact O-N 2.99Å; T795-D815 WeakPolarHBondContact OG1-CB 3.44Å; D815-I820 HydrophobicContact CB-CG1 4.27Å; D815-I820 WeakPolarHBondContact OD1-CG1 3.28Å |
| 816 | S | 90.6 | Very high | 89.9 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 168.4 | -176.8 | 81.3 | 0 | 0 | 0 | 0 | 114.5 | T792 R794 Q818 G819 | T792-S816 CarbonylContact O-C 3.49Å; T792-S816 WeakPolarHBondContact O-CA 3.24Å; T792-S816 WeakPolarHBondContact O-CB 3.24Å; R794-S816 PolarHBondContact NH2-O 3.18Å; S816-Q818 PolarHBondContact O-N 2.87Å; S816-Q818 PolarHBondContact OG-N 3.14Å; S816-Q818 VanDerWaalsContact OG-N 3.07Å; S816-G819 WeakPolarHBondContact CA-O 3.32Å; S816-G819 WeakPolarHBondContact CB-O 3.37Å; S816-G819 PolarHBondContact N-O 2.85Å; S816-G819 PolarHBondContact O-N 3.34Å; S816-G819 VanDerWaalsContact O-N 3.14Å; S816-G819 PolarHBondContact OG-N 2.92Å; S816-G819 PolarHBondContact OG-O 2.96Å |
| 817 | N | 81.2 | Confident | 90.1 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 20% | 0.203 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -8.2 | 168.5 | 74.9 | -19.3 | 0 | 0 | 0 | 113.6 | D790 I791 T792 N844 | D790-N817 VanDerWaalsContact O-CG 3.3Å; D790-N817 PolarHBondContact O-ND2 3.4Å; D790-N817 PolarHBondContact O-OD1 3.2Å; D790-N817 VanDerWaalsContact O-OD1 3.07Å; D790-N817 PolarHBondContact OD1-ND2 3.31Å; I791-N817 VanDerWaalsContact CA-OD1 3.3Å; I791-N817 WeakPolarHBondContact CA-OD1 3.3Å; T792-N817 VanDerWaalsContact N-CG 3.27Å; T792-N817 PolarHBondContact N-ND2 3.49Å; T792-N817 PolarHBondContact N-OD1 3.37Å; T792-N817 PolarHBondContact O-N 3.01Å; T792-N817 PolarHBondContact O-OD1 3.47Å; T792-N817 PolarHBondContact OG1-ND2 2.85Å; N817-N844 WeakPolarHBondContact O-CB 3.21Å; N817-N844 PolarHBondContact O-ND2 2.85Å |
| 818 | Q | 82.3 | Confident | 89.9 | Confident | 37 Ų | 37 | 41.8 Ų | 41.8 | 17% | 0.173 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -0.8 | 166.9 | -59.7 | -55.1 | -16.5 | 0 | 0 | 112.6 | D790 I791 S816 L843 N844 V845 | D790-Q818 PolarHBondContact O-NE2 2.92Å; I791-Q818 HydrophobicContact CB-CG 4.12Å; I791-Q818 HydrophobicContact CD1-CG 4.37Å; I791-Q818 HydrophobicContact CG1-CG 3.83Å; I791-Q818 HydrophobicContact CG2-CB 4.24Å; I791-Q818 HydrophobicContact CG2-CG 3.9Å; S816-Q818 PolarHBondContact O-N 2.87Å; S816-Q818 PolarHBondContact OG-N 3.14Å; S816-Q818 VanDerWaalsContact OG-N 3.07Å; Q818-L843 CarbonylContact O-C 3.58Å; Q818-L843 WeakPolarHBondContact O-CA 3.36Å; Q818-N844 VanDerWaalsContact C-N 3.27Å; Q818-N844 PolarHBondContact O-N 3.33Å; Q818-V845 HydrophobicContact CB-CG2 4.26Å |
| 819 | G | 87 | Confident | 89.2 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.8 | 169.9 | 173 | 0 | 0 | 0 | 0 | 0 | 115.2 | S816 T842 | S816-G819 WeakPolarHBondContact CA-O 3.32Å; S816-G819 WeakPolarHBondContact CB-O 3.37Å; S816-G819 PolarHBondContact N-O 2.85Å; S816-G819 PolarHBondContact O-N 3.34Å; S816-G819 VanDerWaalsContact O-N 3.14Å; S816-G819 PolarHBondContact OG-N 2.92Å; S816-G819 PolarHBondContact OG-O 2.96Å; G819-T842 CarbonylContact C-O 3.56Å; G819-T842 WeakPolarHBondContact CA-O 3.49Å |
| 820 | I | 90 | Very high | 88.5 | Confident | 65 Ų | 65 | 39.8 Ų | 39.8 | 33% | 0.333 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 143.6 | 170.4 | -57.2 | 176.3 | 0 | 0 | 0 | 108.2 | I814 D815 S841 T842 | I814-I820 CarbonylContact O-C 3.44Å; I814-I820 WeakPolarHBondContact O-CA 3.45Å; I814-I820 VanDerWaalsContact O-CG2 3.22Å; I814-I820 WeakPolarHBondContact O-CG2 3.43Å; D815-I820 HydrophobicContact CB-CG1 4.27Å; D815-I820 WeakPolarHBondContact OD1-CG1 3.28Å; I820-S841 CarbonylContact O-C 3.59Å; I820-S841 WeakPolarHBondContact O-CA 3.15Å; I820-S841 PolarHBondContact O-OG 3.07Å; I820-S841 VanDerWaalsContact O-OG 3.12Å; I820-T842 PolarHBondContact N-O 2.73Å; I820-T842 PolarHBondContact O-N 3.1Å |
| 821 | V | 91.6 | Very high | 88 | Confident | 31 Ų | 31 | 40.7 Ų | 40.7 | 19% | 0.188 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.2 | 171.9 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | D813 I814 L839 N840 | D813-V821 CarbonylContact C-O 3.39Å; D813-V821 VanDerWaalsContact CA-O 3.27Å; D813-V821 WeakPolarHBondContact CA-O 3.25Å; I814-V821 HydrophobicContact CB-CB 4.09Å; I814-V821 HydrophobicContact CD1-CB 4.28Å; I814-V821 HydrophobicContact CG1-CB 4.3Å; I814-V821 PolarHBondContact N-O 3.32Å; I814-V821 PolarHBondContact O-N 2.94Å; V821-L839 HydrophobicContact CG1-CD1 4.34Å; V821-L839 HydrophobicContact CG1-CD2 4.38Å; V821-L839 HydrophobicContact CG1-CG 4.08Å; V821-N840 CarbonylContact C-O 3.51Å; V821-N840 WeakPolarHBondContact CA-O 3.04Å; V821-N840 WeakPolarHBondContact CG1-O 3.33Å |
| 822 | N | 91.7 | Very high | 87.4 | Confident | 62 Ų | 62 | 43 Ų | 43 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 99.9 | 173.7 | -55.4 | 102.2 | 0 | 0 | 0 | 108.7 | L812 D813 N840 | L812-N822 CarbonylContact O-C 3.48Å; L812-N822 VanDerWaalsContact O-CA 3.29Å; L812-N822 WeakPolarHBondContact O-CA 3.42Å; D813-N822 PolarHBondContact OD1-ND2 3.42Å; N822-N840 HydrophobicContact CB-CB 4.33Å; N822-N840 PolarHBondContact N-O 3.16Å; N822-N840 PolarHBondContact O-N 3.16Å; N822-N840 PolarHBondContact O-ND2 2.72Å; N822-N840 VanDerWaalsContact O-ND2 3.16Å |
| 823 | A | 92.8 | Very high | 87 | Confident | 7 Ų | 7 | 43 Ų | 43 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 144.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L809 A811 L812 T838 L839 | L809-A823 HydrophobicContact CD2-CB 4.13Å; A811-A823 CarbonylContact C-O 3.58Å; L812-A823 HydrophobicContact CB-CB 4.33Å; L812-A823 PolarHBondContact N-O 3.35Å; L812-A823 PolarHBondContact O-N 3.48Å; A823-T838 CarbonylContact C-O 3.34Å; A823-T838 VanDerWaalsContact CA-O 3.27Å; A823-T838 WeakPolarHBondContact CA-O 3.42Å; A823-L839 HydrophobicContact CB-CB 4.13Å; A823-L839 HydrophobicContact CB-CD1 4.49Å; A823-L839 HydrophobicContact CB-CG 4.18Å |
| 824 | S | 93.4 | Very high | 86.8 | Confident | 48 Ų | 48 | 43 Ų | 43 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 144.3 | -179.5 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | L809 T838 | L809-S824 WeakPolarHBondContact O-CA 3.38Å; S824-T838 PolarHBondContact N-O 3.14Å; S824-T838 WeakPolarHBondContact O-CB 3.46Å; S824-T838 PolarHBondContact O-N 2.79Å; S824-T838 VanDerWaalsContact O-O 3.1Å |
| 825 | G | 91.9 | Very high | 86.7 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 19% | 0.186 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164 | -169.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L809 D836 | L809-G825 PolarHBondContact N-O 3.16Å; L809-G825 PolarHBondContact O-N 3.44Å; G825-D836 CarbonylContact C-O 3.44Å; G825-D836 WeakPolarHBondContact CA-O 3.44Å |
| 826 | T | 91.8 | Very high | 86.8 | Confident | 70 Ų | 70 | 44.3 Ų | 44.3 | 43% | 0.429 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.6 | 179.4 | 47.4 | 0 | 0 | 0 | 0 | 111.8 | T807 K808 D836 | T807-T826 VanDerWaalsContact O-CA 3.28Å; T807-T826 WeakPolarHBondContact O-CA 3.19Å; K808-T826 HydrophobicContact CB-CG2 4.19Å; K808-T826 HydrophobicContact CG-CG2 4.27Å; T826-D836 PolarHBondContact N-O 2.83Å; T826-D836 PolarHBondContact O-N 2.77Å |
| 827 | A | 88.4 | Confident | 87 | Confident | 21 Ų | 21 | 47 Ų | 47 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 139.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T807 V835 | T807-A827 PolarHBondContact N-O 2.78Å; T807-A827 PolarHBondContact O-N 3.09Å; A827-V835 HydrophobicContact CB-CG1 4.16Å |
| 828 | Q | 83.3 | Confident | 87.5 | Confident | 72 Ų | 72 | 47.2 Ų | 47.2 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.7 | 173.1 | -175.9 | -174.4 | -23.4 | 0 | 0 | 107.5 | S830 P834 | Q828-S830 VanDerWaalsContact C-N 3.26Å; Q828-S830 PolarHBondContact NE2-OG 3.1Å; Q828-S830 PolarHBondContact O-N 2.84Å; Q828-P834 HydrophobicContact CB-CG 4.04Å; Q828-P834 PolarHBondContact N-O 2.91Å |
| 829 | L | 77.7 | Confident | 88 | Confident | 56 Ų | 56 | 47.9 Ų | 47.9 | 29% | 0.293 | 27% | 0.272 | S | S | . | . | trans | -95.1 | 33.1 | -170.9 | -53.1 | 178.5 | 0 | 0 | 0 | 113 | V767 W833 | V767-L829 HydrophobicContact CB-CB 3.88Å; V767-L829 HydrophobicContact CB-CD1 4.09Å; V767-L829 HydrophobicContact CG1-CD1 4.22Å; V767-L829 HydrophobicContact CG2-CB 4.42Å; V767-L829 PolarHBondContact N-O 2.92Å; L829-W833 PolarHBondContact O-NE1 2.86Å | ||
| 830 | S | 76.4 | Confident | 88.2 | Confident | 31 Ų | 31 | 50 Ų | 50 | 22% | 0.217 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -124.4 | 164.7 | 176.8 | 73.4 | 0 | 0 | 0 | 0 | 112.5 | D766 Q828 N832 W833 | D766-S830 VanDerWaalsContact CG-CA 3.49Å; D766-S830 VanDerWaalsContact OD2-CA 3.31Å; D766-S830 WeakPolarHBondContact OD2-CA 3.43Å; Q828-S830 VanDerWaalsContact C-N 3.26Å; Q828-S830 PolarHBondContact NE2-OG 3.1Å; Q828-S830 PolarHBondContact O-N 2.84Å; S830-N832 PolarHBondContact O-N 2.86Å; S830-N832 VanDerWaalsContact O-N 3.15Å; S830-W833 PolarHBondContact O-N 2.82Å |
| 831 | D | 77.3 | Confident | 88.2 | Confident | 105 Ų | 105 | 47.4 Ų | 47.4 | 56% | 0.561 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | -108.9 | 171 | -49.3 | -87.8 | 0 | 0 | 0 | 112.7 | D766 R862 | D766-D831 PolarHBondContact OD2-N 2.89Å; D831-R862 WeakPolarHBondContact O-CD 3.42Å; D831-R862 PolarHBondContact O-NH1 3.34Å |
| 832 | N | 80.3 | Confident | 88.1 | Confident | 65 Ų | 65 | 48 Ų | 48 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -1.8 | 179.8 | -66.7 | -0.7 | 0 | 0 | 0 | 113.1 | S830 A860 L861 R862 E863 | S830-N832 PolarHBondContact O-N 2.86Å; S830-N832 VanDerWaalsContact O-N 3.15Å; N832-A860 HydrophobicContact CB-CB 3.87Å; N832-A860 WeakPolarHBondContact O-CB 3.35Å; N832-L861 PolarHBondContact O-N 2.84Å; N832-R862 PolarHBondContact O-N 3.19Å; N832-E863 PolarHBondContact ND2-OE1 2.82Å; N832-E863 VanDerWaalsContact ND2-OE1 3.1Å; N832-E863 PolarHBondContact ND2-OE2 2.88Å |
| 833 | W | 84.4 | Confident | 87.8 | Confident | 47 Ų | 47 | 47.2 Ų | 47.2 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | trans | 55.9 | 67.2 | -169.8 | -63.8 | 3 | 0 | 0 | 0 | 112.8 | T765 D766 V767 L829 S830 L861 | T765-W833 WeakPolarHBondContact O-CZ2 3.48Å; D766-W833 PolarHBondContact OD1-NE1 2.98Å; V767-W833 HydrophobicContact CG2-CH2 4.49Å; V767-W833 HydrophobicContact CG2-CZ2 3.92Å; L829-W833 PolarHBondContact O-NE1 2.86Å; S830-W833 PolarHBondContact O-N 2.82Å; W833-L861 HydrophobicContact CB-CB 4.41Å; W833-L861 HydrophobicContact CB-CD1 4.22Å; W833-L861 HydrophobicContact CE3-CD2 4.34Å; W833-L861 WeakPolarHBondContact O-CD1 3.17Å; W833-L861 PolarHBondContact O-N 2.68Å | ||
| 834 | P | 89.2 | Confident | 87.3 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 34% | 0.344 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -70.4 | 132.9 | 176 | 30.8 | -34.1 | 0 | 0 | 0 | 110.9 | Q828 G859 | Q828-P834 HydrophobicContact CB-CG 4.04Å; Q828-P834 PolarHBondContact N-O 2.91Å; P834-G859 WeakPolarHBondContact CA-O 3.17Å |
| 835 | V | 89.9 | Confident | 86.4 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.8 | 179.4 | -71.3 | 0 | 0 | 0 | 0 | 109.7 | A827 V857 G858 G859 L861 L865 | A827-V835 HydrophobicContact CB-CG1 4.16Å; V835-V857 HydrophobicContact CG2-CG1 3.89Å; V835-G858 WeakPolarHBondContact O-CA 3.44Å; V835-G859 PolarHBondContact N-O 3.19Å; V835-G859 PolarHBondContact O-N 2.8Å; V835-L861 HydrophobicContact CG1-CD1 3.84Å; V835-L861 HydrophobicContact CG2-CD1 3.93Å; V835-L865 HydrophobicContact CG2-CD2 4.34Å |
| 836 | D | 92.2 | Very high | 85.3 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 86.5 | 166.6 | -170.2 | 42.2 | 0 | 0 | 0 | 110 | G825 T826 K856 | G825-D836 CarbonylContact C-O 3.44Å; G825-D836 WeakPolarHBondContact CA-O 3.44Å; T826-D836 PolarHBondContact N-O 2.83Å; T826-D836 PolarHBondContact O-N 2.77Å; D836-K856 WeakPolarHBondContact OD1-CE 3.41Å; D836-K856 IonicContact OD1-NZ 4Å; D836-K856 PolarHBondContact OD1-NZ 2.96Å; D836-K856 IonicContact OD2-NZ 2.67Å; D836-K856 PolarHBondContact OD2-NZ 3.1Å |
| 837 | I | 93.6 | Very high | 83.9 | Confident | 67 Ų | 67 | 53.7 Ų | 53.7 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.3 | -174.8 | -61 | 176.4 | 0 | 0 | 0 | 109.3 | K856 V857 | I837-K856 WeakPolarHBondContact O-CA 3.36Å; I837-V857 PolarHBondContact N-O 3.26Å; I837-V857 PolarHBondContact O-N 2.82Å |
| 838 | T | 92.4 | Very high | 83.2 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 26% | 0.258 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.9 | 170.7 | -39.1 | 0 | 0 | 0 | 0 | 108.5 | A823 S824 K856 | A823-T838 CarbonylContact C-O 3.34Å; A823-T838 VanDerWaalsContact CA-O 3.27Å; A823-T838 WeakPolarHBondContact CA-O 3.42Å; S824-T838 PolarHBondContact N-O 3.14Å; S824-T838 WeakPolarHBondContact O-CB 3.46Å; S824-T838 PolarHBondContact O-N 2.79Å; S824-T838 VanDerWaalsContact O-O 3.1Å; T838-K856 HydrophobicContact CG2-CD 4.41Å; T838-K856 PolarHBondContact OG1-NZ 2.83Å |
| 839 | L | 92.5 | Very high | 83 | Confident | 50 Ų | 50 | 56.2 Ų | 56.2 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 116.2 | 173.1 | 178.6 | 157.3 | 0 | 0 | 0 | 108.3 | V821 A823 K854 L855 | V821-L839 HydrophobicContact CG1-CD1 4.34Å; V821-L839 HydrophobicContact CG1-CD2 4.38Å; V821-L839 HydrophobicContact CG1-CG 4.08Å; A823-L839 HydrophobicContact CB-CB 4.13Å; A823-L839 HydrophobicContact CB-CD1 4.49Å; A823-L839 HydrophobicContact CB-CG 4.18Å; L839-K854 CarbonylContact O-C 3.57Å; L839-K854 WeakPolarHBondContact O-CA 3.33Å; L839-L855 HydrophobicContact CB-CB 4.31Å; L839-L855 PolarHBondContact N-O 2.84Å; L839-L855 PolarHBondContact O-N 2.78Å |
| 840 | N | 92.1 | Very high | 83.2 | Confident | 49 Ų | 49 | 55 Ų | 55 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 148.7 | 165.3 | -51.3 | -98.6 | 0 | 0 | 0 | 108.1 | V821 N822 V853 K854 | V821-N840 CarbonylContact C-O 3.51Å; V821-N840 WeakPolarHBondContact CA-O 3.04Å; V821-N840 WeakPolarHBondContact CG1-O 3.33Å; N822-N840 HydrophobicContact CB-CB 4.33Å; N822-N840 PolarHBondContact N-O 3.16Å; N822-N840 PolarHBondContact O-N 3.16Å; N822-N840 PolarHBondContact O-ND2 2.72Å; N822-N840 VanDerWaalsContact O-ND2 3.16Å; N840-V853 CarbonylContact C-O 3.48Å; N840-V853 WeakPolarHBondContact CA-O 3.33Å; N840-K854 HydrophobicContact CB-CG 4.4Å; N840-K854 WeakPolarHBondContact OD1-CE 3.41Å |
| 841 | S | 89.6 | Confident | 83.7 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 170.4 | 177.2 | -173.7 | 0 | 0 | 0 | 0 | 110.5 | I820 K852 V853 | I820-S841 CarbonylContact O-C 3.59Å; I820-S841 WeakPolarHBondContact O-CA 3.15Å; I820-S841 PolarHBondContact O-OG 3.07Å; I820-S841 VanDerWaalsContact O-OG 3.12Å; S841-K852 VanDerWaalsContact O-CA 3.23Å; S841-K852 WeakPolarHBondContact O-CA 3.46Å; S841-V853 PolarHBondContact N-O 2.85Å |
| 842 | T | 88.3 | Confident | 84.2 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 26% | 0.258 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 84.5 | 171.8 | -62.2 | 0 | 0 | 0 | 0 | 106.2 | G819 I820 E851 K852 | G819-T842 CarbonylContact C-O 3.56Å; G819-T842 WeakPolarHBondContact CA-O 3.49Å; I820-T842 PolarHBondContact N-O 2.73Å; I820-T842 PolarHBondContact O-N 3.1Å; T842-E851 CarbonylContact C-O 3.55Å; T842-E851 VanDerWaalsContact CA-O 3.29Å; T842-E851 WeakPolarHBondContact CA-O 3.38Å; T842-K852 HydrophobicContact CG2-CD 4.42Å; T842-K852 HydrophobicContact CG2-CG 3.92Å; T842-K852 WeakPolarHBondContact OG1-CG 3.38Å |
| 843 | L | 85.9 | Confident | 84.6 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 158.3 | -178.3 | -57.3 | -175.3 | 0 | 0 | 0 | 111.7 | Q818 L848 G850 E851 V853 | Q818-L843 CarbonylContact O-C 3.58Å; Q818-L843 WeakPolarHBondContact O-CA 3.36Å; L843-L848 WeakPolarHBondContact CB-O 3.23Å; L843-L848 HydrophobicContact CD1-CB 4.28Å; L843-G850 CarbonylContact O-C 3.59Å; L843-G850 WeakPolarHBondContact O-CA 3.33Å; L843-G850 PolarHBondContact O-N 3.02Å; L843-E851 HydrophobicContact CB-CB 4.1Å; L843-E851 HydrophobicContact CD1-CB 4.11Å; L843-E851 HydrophobicContact CD1-CG 4.4Å; L843-E851 HydrophobicContact CG-CB 4.26Å; L843-E851 PolarHBondContact N-O 2.79Å; L843-E851 PolarHBondContact O-N 2.72Å; L843-V853 HydrophobicContact CD1-CG2 4.1Å; L843-V853 HydrophobicContact CG-CG2 4.13Å |
| 844 | N | 81.9 | Confident | 85 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 33% | 0.326 | 29% | 0.292 | S | S | . | . | trans | -139.9 | 19.7 | 174.9 | -167.3 | 65.9 | 0 | 0 | 0 | 112.5 | N817 Q818 K849 | N817-N844 WeakPolarHBondContact O-CB 3.21Å; N817-N844 PolarHBondContact O-ND2 2.85Å; Q818-N844 VanDerWaalsContact C-N 3.27Å; Q818-N844 PolarHBondContact O-N 3.33Å; N844-K849 WeakPolarHBondContact OD1-CE 3.29Å; N844-K849 WeakPolarHBondContact OD1-CG 3.2Å | ||
| 845 | V | 74.9 | Confident | 85.2 | Confident | 48 Ų | 48 | 54.2 Ų | 54.2 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -85.3 | 138 | 175.8 | -149.7 | 0 | 0 | 0 | 0 | 109.6 | Q818 P847 L848 K849 | Q818-V845 HydrophobicContact CB-CG2 4.26Å; V845-P847 CarbonylContact O-C 3.51Å; V845-L848 CarbonylContact O-C 3.19Å; V845-L848 WeakPolarHBondContact O-CA 3.25Å; V845-L848 PolarHBondContact O-N 2.91Å; V845-K849 WeakPolarHBondContact O-CA 2.86Å; V845-K849 PolarHBondContact O-N 2.87Å |
| 846 | E | 69.2 | Low | 85.3 | Confident | 112 Ų | 112 | 57 Ų | 57 | 52% | 0.523 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -75.1 | 143.5 | 164.1 | -60.7 | -67.2 | 168.1 | 0 | 0 | 109.5 | K849 T906 | E846-K849 HydrophobicContact CG-CD 4.27Å; E846-K849 WeakPolarHBondContact OE1-CD 3.22Å; E846-K849 IonicContact OE1-NZ 3.93Å; E846-K849 PolarHBondContact OE1-NZ 3.46Å; E846-K849 VanDerWaalsContact OE1-NZ 3.09Å; E846-T906 PolarHBondContact OE2-OG1 2.85Å |
| 847 | P | 63.4 | Low | 85.2 | Confident | 59 Ų | 59 | 55.2 Ų | 55.2 | 38% | 0.383 | 29% | 0.29 | S | S | . | . | S | Bend | cis | -74 | -32.2 | -1.7 | 27.3 | -32.8 | 0 | 0 | 0 | 113.9 | V845 K849 F905 T906 | V845-P847 CarbonylContact O-C 3.51Å; P847-K849 PolarHBondContact O-N 3.1Å; P847-F905 HydrophobicContact CB-CB 4.2Å; P847-F905 HydrophobicContact CG-CB 4.27Å; P847-T906 WeakPolarHBondContact CA-OG1 3.12Å; P847-T906 WeakPolarHBondContact CB-OG1 3.18Å; P847-T906 WeakPolarHBondContact O-CB 3.4Å; P847-T906 WeakPolarHBondContact O-CG2 3.29Å; P847-T906 PolarHBondContact O-OG1 3.17Å |
| 848 | L | 73.8 | Confident | 85.1 | Confident | 51 Ų | 51 | 52.5 Ų | 52.5 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -73.7 | 48.7 | -168.9 | -60.9 | 179.1 | 0 | 0 | 0 | 115.8 | L843 V845 G850 E851 P874 V875 F905 | L843-L848 WeakPolarHBondContact CB-O 3.23Å; L843-L848 HydrophobicContact CD1-CB 4.28Å; V845-L848 CarbonylContact O-C 3.19Å; V845-L848 WeakPolarHBondContact O-CA 3.25Å; V845-L848 PolarHBondContact O-N 2.91Å; L848-G850 PolarHBondContact O-N 2.77Å; L848-E851 HydrophobicContact CB-CB 3.9Å; L848-E851 HydrophobicContact CB-CG 4.35Å; L848-E851 WeakPolarHBondContact O-CB 3.49Å; L848-E851 PolarHBondContact O-N 2.71Å; L848-P874 HydrophobicContact CD2-CB 4.27Å; L848-V875 HydrophobicContact CD2-CB 4.44Å; L848-V875 HydrophobicContact CD2-CG2 3.6Å; L848-F905 HydrophobicContact CD2-CB 3.77Å; L848-F905 HydrophobicContact CD2-CG 4.3Å |
| 849 | K | 78.8 | Confident | 85 | Confident | 94 Ų | 94 | 52.5 Ų | 52.5 | 41% | 0.409 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 121.3 | -172.8 | -166.5 | 165.5 | -169.7 | 171.3 | 0 | 112 | N844 V845 E846 P847 P874 | N844-K849 WeakPolarHBondContact OD1-CE 3.29Å; N844-K849 WeakPolarHBondContact OD1-CG 3.2Å; V845-K849 WeakPolarHBondContact O-CA 2.86Å; V845-K849 PolarHBondContact O-N 2.87Å; E846-K849 HydrophobicContact CG-CD 4.27Å; E846-K849 WeakPolarHBondContact OE1-CD 3.22Å; E846-K849 IonicContact OE1-NZ 3.93Å; E846-K849 PolarHBondContact OE1-NZ 3.46Å; E846-K849 VanDerWaalsContact OE1-NZ 3.09Å; P847-K849 PolarHBondContact O-N 3.1Å; K849-P874 VanDerWaalsContact O-CG 3.22Å; K849-P874 WeakPolarHBondContact O-CG 3.27Å |
| 850 | G | 81.3 | Confident | 84.7 | Confident | 30 Ų | 30 | 50.6 Ų | 50.6 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | 2.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L843 L848 K852 | L843-G850 CarbonylContact O-C 3.59Å; L843-G850 WeakPolarHBondContact O-CA 3.33Å; L843-G850 PolarHBondContact O-N 3.02Å; L848-G850 PolarHBondContact O-N 2.77Å; G850-K852 WeakPolarHBondContact O-CG 3.14Å; G850-K852 PolarHBondContact O-N 2.9Å |
| 851 | E | 86.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | trans | -69.8 | 117.9 | -171.7 | -175.5 | 43.7 | -104.8 | 0 | 0 | 113.6 | T842 L843 L848 V853 L871 S872 G873 P874 V875 | T842-E851 CarbonylContact C-O 3.55Å; T842-E851 VanDerWaalsContact CA-O 3.29Å; T842-E851 WeakPolarHBondContact CA-O 3.38Å; L843-E851 HydrophobicContact CB-CB 4.1Å; L843-E851 HydrophobicContact CD1-CB 4.11Å; L843-E851 HydrophobicContact CD1-CG 4.4Å; L843-E851 HydrophobicContact CG-CB 4.26Å; L843-E851 PolarHBondContact N-O 2.79Å; L843-E851 PolarHBondContact O-N 2.72Å; L848-E851 HydrophobicContact CB-CB 3.9Å; L848-E851 HydrophobicContact CB-CG 4.35Å; L848-E851 WeakPolarHBondContact O-CB 3.49Å; L848-E851 PolarHBondContact O-N 2.71Å; E851-V853 HydrophobicContact CG-CG2 4.45Å; E851-V853 PolarHBondContact O-N 2.85Å; E851-L871 WeakPolarHBondContact OE1-CB 3.5Å; E851-S872 PolarHBondContact OE1-N 3.39Å; E851-G873 PolarHBondContact OE1-N 2.96Å; E851-G873 VanDerWaalsContact OE1-N 3.07Å; E851-G873 WeakPolarHBondContact OE2-CA 3.19Å; E851-G873 PolarHBondContact OE2-N 3.47Å; E851-P874 VanDerWaalsContact OE2-CD 3.3Å; E851-P874 WeakPolarHBondContact OE2-CD 3.33Å; E851-P874 VanDerWaalsContact OE2-N 3.09Å; E851-V875 PolarHBondContact OE2-N 2.94Å | ||
| 852 | K | 87.7 | Confident | 84.1 | Confident | 101 Ų | 101 | 53.1 Ų | 53.1 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | trans | -96 | 82.9 | -174.4 | -57.4 | -168.9 | 175.2 | 173.6 | 0 | 112.4 | S841 T842 G850 K854 N870 S872 | S841-K852 VanDerWaalsContact O-CA 3.23Å; S841-K852 WeakPolarHBondContact O-CA 3.46Å; T842-K852 HydrophobicContact CG2-CD 4.42Å; T842-K852 HydrophobicContact CG2-CG 3.92Å; T842-K852 WeakPolarHBondContact OG1-CG 3.38Å; G850-K852 WeakPolarHBondContact O-CG 3.14Å; G850-K852 PolarHBondContact O-N 2.9Å; K852-K854 PolarHBondContact O-N 3.45Å; K852-N870 VanDerWaalsContact O-O 3.08Å; K852-S872 WeakPolarHBondContact CB-O 3.43Å; K852-S872 WeakPolarHBondContact CB-OG 3.28Å; K852-S872 PolarHBondContact O-N 2.97Å; K852-S872 PolarHBondContact O-OG 2.91Å | ||
| 853 | V | 89.7 | Confident | 84 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | trans | -68.7 | 119.7 | 174.6 | -168.2 | 0 | 0 | 0 | 0 | 110.7 | N840 S841 L843 E851 V869 L871 | N840-V853 CarbonylContact C-O 3.48Å; N840-V853 WeakPolarHBondContact CA-O 3.33Å; S841-V853 PolarHBondContact N-O 2.85Å; L843-V853 HydrophobicContact CD1-CG2 4.1Å; L843-V853 HydrophobicContact CG-CG2 4.13Å; E851-V853 HydrophobicContact CG-CG2 4.45Å; E851-V853 PolarHBondContact O-N 2.85Å; V853-V869 HydrophobicContact CG1-CG1 4.27Å; V853-L871 HydrophobicContact CB-CD2 3.99Å; V853-L871 HydrophobicContact CG1-CD2 3.73Å; V853-L871 HydrophobicContact CG2-CD2 3.83Å | ||
| 854 | K | 91 | Very high | 84.3 | Confident | 104 Ų | 104 | 57.3 Ų | 57.3 | 45% | 0.452 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 97.1 | 163.6 | -69.7 | -173.6 | 177.7 | 178.2 | 0 | 109.9 | L839 N840 K852 V869 N870 | L839-K854 CarbonylContact O-C 3.57Å; L839-K854 WeakPolarHBondContact O-CA 3.33Å; N840-K854 HydrophobicContact CB-CG 4.4Å; N840-K854 WeakPolarHBondContact OD1-CE 3.41Å; K852-K854 PolarHBondContact O-N 3.45Å; K854-V869 WeakPolarHBondContact O-CA 3.46Å; K854-N870 HydrophobicContact CB-CB 4.06Å; K854-N870 WeakPolarHBondContact CB-O 3.48Å; K854-N870 PolarHBondContact N-O 2.92Å; K854-N870 PolarHBondContact O-N 3.41Å |
| 855 | L | 93.7 | Very high | 84.7 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 130.2 | 174.2 | 174.6 | 66.2 | 0 | 0 | 0 | 109.7 | L839 V857 I867 G868 V869 | L839-L855 HydrophobicContact CB-CB 4.31Å; L839-L855 PolarHBondContact N-O 2.84Å; L839-L855 PolarHBondContact O-N 2.78Å; L855-V857 HydrophobicContact CD1-CG2 3.75Å; L855-V857 HydrophobicContact CD2-CG2 4.07Å; L855-V857 HydrophobicContact CG-CG2 3.89Å; L855-I867 HydrophobicContact CD1-CG2 4.39Å; L855-G868 CarbonylContact C-O 3.48Å; L855-G868 WeakPolarHBondContact CA-O 3.33Å; L855-V869 HydrophobicContact CD1-CG2 3.87Å |
| 856 | K | 92.1 | Very high | 85.5 | Confident | 79 Ų | 79 | 57 Ų | 57 | 34% | 0.343 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 110.9 | 166.1 | -175.7 | 57.6 | 158.6 | 175.4 | 0 | 107.4 | D836 I837 T838 G868 | D836-K856 WeakPolarHBondContact OD1-CE 3.41Å; D836-K856 IonicContact OD1-NZ 4Å; D836-K856 PolarHBondContact OD1-NZ 2.96Å; D836-K856 IonicContact OD2-NZ 2.67Å; D836-K856 PolarHBondContact OD2-NZ 3.1Å; I837-K856 WeakPolarHBondContact O-CA 3.36Å; T838-K856 HydrophobicContact CG2-CD 4.41Å; T838-K856 PolarHBondContact OG1-NZ 2.83Å; K856-G868 PolarHBondContact N-O 3.33Å; K856-G868 PolarHBondContact O-N 2.96Å |
| 857 | V | 91.6 | Very high | 86.6 | Confident | 33 Ų | 33 | 54.3 Ų | 54.3 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.6 | 170.6 | -174.4 | 0 | 0 | 0 | 0 | 107.3 | V835 I837 L855 L865 | V835-V857 HydrophobicContact CG2-CG1 3.89Å; I837-V857 PolarHBondContact N-O 3.26Å; I837-V857 PolarHBondContact O-N 2.82Å; L855-V857 HydrophobicContact CD1-CG2 3.75Å; L855-V857 HydrophobicContact CD2-CG2 4.07Å; L855-V857 HydrophobicContact CG-CG2 3.89Å; V857-L865 HydrophobicContact CG1-CD2 4.21Å |
| 858 | G | 90.1 | Very high | 88 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 168.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V835 E866 | V835-G858 WeakPolarHBondContact O-CA 3.44Å; G858-E866 PolarHBondContact N-O 2.82Å; G858-E866 PolarHBondContact O-N 3.5Å |
| 859 | G | 90.9 | Very high | 88.9 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 42% | 0.423 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 90 | -147.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P834 V835 | P834-G859 WeakPolarHBondContact CA-O 3.17Å; V835-G859 PolarHBondContact N-O 3.19Å; V835-G859 PolarHBondContact O-N 2.8Å |
| 860 | A | 86.7 | Confident | 89.4 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 130.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | N832 R862 E863 Q864 | N832-A860 HydrophobicContact CB-CB 3.87Å; N832-A860 WeakPolarHBondContact O-CB 3.35Å; A860-R862 PolarHBondContact O-N 2.89Å; A860-E863 PolarHBondContact O-N 3.49Å; A860-E863 VanDerWaalsContact O-N 3.15Å; A860-Q864 PolarHBondContact N-O 3.25Å; A860-Q864 VanDerWaalsContact N-O 3.1Å; A860-Q864 CarbonylContact O-C 3.56Å; A860-Q864 PolarHBondContact O-N 2.9Å |
| 861 | L | 84.3 | Confident | 89.7 | Confident | 54 Ų | 54 | 48.9 Ų | 48.9 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -35.7 | -171.7 | -80.4 | 87.5 | 0 | 0 | 0 | 112.6 | L761 N832 W833 V835 L865 | L761-L861 WeakPolarHBondContact CD2-O 3.48Å; N832-L861 PolarHBondContact O-N 2.84Å; W833-L861 HydrophobicContact CB-CB 4.41Å; W833-L861 HydrophobicContact CB-CD1 4.22Å; W833-L861 HydrophobicContact CE3-CD2 4.34Å; W833-L861 WeakPolarHBondContact O-CD1 3.17Å; W833-L861 PolarHBondContact O-N 2.68Å; V835-L861 HydrophobicContact CG1-CD1 3.84Å; V835-L861 HydrophobicContact CG2-CD1 3.93Å; L861-L865 HydrophobicContact CD1-CD2 4.4Å; L861-L865 HydrophobicContact CG-CD1 4.28Å; L861-L865 HydrophobicContact CG-CD2 4.14Å |
| 862 | R | 83.7 | Confident | 89.5 | Confident | 58 Ų | 58 | 50.8 Ų | 50.8 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -9.3 | -175.9 | -64.9 | -179.7 | 176.9 | 158.3 | 1.3 | 114.7 | M764 T765 D766 D831 N832 A860 | M764-R862 VanDerWaalsContact C-NH2 3.34Å; M764-R862 PolarHBondContact O-NH2 3.25Å; M764-R862 VanDerWaalsContact O-NH2 3.1Å; T765-R862 PolarHBondContact O-NH2 2.79Å; D766-R862 IonicContact OD1-CZ 3.46Å; D766-R862 IonicContact OD1-NH1 3.53Å; D766-R862 PolarHBondContact OD1-NH1 2.99Å; D766-R862 IonicContact OD1-NH2 2.67Å; D831-R862 WeakPolarHBondContact O-CD 3.42Å; D831-R862 PolarHBondContact O-NH1 3.34Å; N832-R862 PolarHBondContact O-N 3.19Å; A860-R862 PolarHBondContact O-N 2.89Å |
| 863 | E | 85.9 | Confident | 89.3 | Confident | 116 Ų | 116 | 47.7 Ų | 47.7 | 54% | 0.542 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -78.2 | -179.9 | -68.8 | -176.7 | 139.4 | 0 | 0 | 112 | N832 A860 R884 | N832-E863 PolarHBondContact ND2-OE1 2.82Å; N832-E863 VanDerWaalsContact ND2-OE1 3.1Å; N832-E863 PolarHBondContact ND2-OE2 2.88Å; A860-E863 PolarHBondContact O-N 3.49Å; A860-E863 VanDerWaalsContact O-N 3.15Å; E863-R884 WeakPolarHBondContact O-CG 3.16Å |
| 864 | Q | 92.2 | Very high | 88.6 | Confident | 60 Ų | 60 | 47 Ų | 47 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 124.3 | -177.5 | -177.2 | 172.1 | -56.6 | 0 | 0 | 109 | A860 E866 T883 R884 | A860-Q864 PolarHBondContact N-O 3.25Å; A860-Q864 VanDerWaalsContact N-O 3.1Å; A860-Q864 CarbonylContact O-C 3.56Å; A860-Q864 PolarHBondContact O-N 2.9Å; Q864-E866 PolarHBondContact NE2-OE1 3.35Å; Q864-T883 WeakPolarHBondContact CA-O 3.41Å; Q864-R884 HydrophobicContact CB-CG 4.16Å; Q864-R884 HydrophobicContact CG-CG 4.28Å |
| 865 | L | 90.9 | Very high | 87.9 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 9% | 0.089 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 133.6 | 171.4 | -80.1 | 165.4 | 0 | 0 | 0 | 110 | V835 V857 L861 I867 T883 L885 | V835-L865 HydrophobicContact CG2-CD2 4.34Å; V857-L865 HydrophobicContact CG1-CD2 4.21Å; L861-L865 HydrophobicContact CD1-CD2 4.4Å; L861-L865 HydrophobicContact CG-CD1 4.28Å; L861-L865 HydrophobicContact CG-CD2 4.14Å; L865-I867 HydrophobicContact CB-CG1 4.46Å; L865-T883 HydrophobicContact CB-CG2 4.39Å; L865-T883 PolarHBondContact N-O 3.01Å; L865-T883 PolarHBondContact O-N 2.85Å; L865-L885 HydrophobicContact CD1-CD1 3.78Å; L865-L885 HydrophobicContact CD1-CG 4.43Å |
| 866 | E | 92.2 | Very high | 87.4 | Confident | 87 Ų | 87 | 42 Ų | 42 | 41% | 0.407 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 112.3 | 170.2 | -53.3 | -145.8 | 134.7 | 0 | 0 | 108.5 | G858 Q864 Q882 | G858-E866 PolarHBondContact N-O 2.82Å; G858-E866 PolarHBondContact O-N 3.5Å; Q864-E866 PolarHBondContact NE2-OE1 3.35Å; E866-Q882 HydrophobicContact CG-CG 4.44Å; E866-Q882 PolarHBondContact OE1-NE2 2.94Å |
| 867 | I | 92.3 | Very high | 87.3 | Confident | 55 Ų | 55 | 39.6 Ų | 39.6 | 28% | 0.282 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 105.6 | -176.5 | -57.2 | 172.4 | 0 | 0 | 0 | 107.5 | L855 L865 V869 R880 A881 | L855-I867 HydrophobicContact CD1-CG2 4.39Å; L865-I867 HydrophobicContact CB-CG1 4.46Å; I867-V869 HydrophobicContact CG2-CG2 3.99Å; I867-R880 WeakPolarHBondContact O-CA 3.38Å; I867-A881 HydrophobicContact CB-CB 4.38Å; I867-A881 PolarHBondContact N-O 3.02Å; I867-A881 PolarHBondContact O-N 2.85Å |
| 868 | G | 92.4 | Very high | 87.1 | Confident | 23 Ų | 23 | 40.9 Ų | 40.9 | 24% | 0.237 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L855 K856 | L855-G868 CarbonylContact C-O 3.48Å; L855-G868 WeakPolarHBondContact CA-O 3.33Å; K856-G868 PolarHBondContact N-O 3.33Å; K856-G868 PolarHBondContact O-N 2.96Å |
| 869 | V | 91.5 | Very high | 87.2 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 17% | 0.17 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 110.6 | 173.2 | -169.6 | 0 | 0 | 0 | 0 | 108.3 | V853 K854 L855 I867 L871 D878 L879 | V853-V869 HydrophobicContact CG1-CG1 4.27Å; K854-V869 WeakPolarHBondContact O-CA 3.46Å; L855-V869 HydrophobicContact CD1-CG2 3.87Å; I867-V869 HydrophobicContact CG2-CG2 3.99Å; V869-L871 HydrophobicContact CG1-CD2 3.58Å; V869-L871 HydrophobicContact CG1-CG 4.02Å; V869-D878 CarbonylContact O-C 3.52Å; V869-D878 WeakPolarHBondContact O-CA 3.36Å; V869-L879 HydrophobicContact CB-CB 4.35Å; V869-L879 HydrophobicContact CG2-CD2 4.24Å; V869-L879 PolarHBondContact N-O 3.45Å; V869-L879 PolarHBondContact O-N 3.44Å |
| 870 | N | 89.8 | Confident | 87.2 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 23% | 0.23 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 95.8 | 172.5 | 169.5 | -106.7 | 0 | 0 | 0 | 108 | K852 K854 D878 | K852-N870 VanDerWaalsContact O-O 3.08Å; K854-N870 HydrophobicContact CB-CB 4.06Å; K854-N870 WeakPolarHBondContact CB-O 3.48Å; K854-N870 PolarHBondContact N-O 2.92Å; K854-N870 PolarHBondContact O-N 3.41Å; N870-D878 WeakPolarHBondContact CB-OD1 3.46Å; N870-D878 VanDerWaalsContact ND2-CG 3.28Å; N870-D878 PolarHBondContact ND2-OD1 3.05Å; N870-D878 PolarHBondContact ND2-OD2 3.38Å |
| 871 | L | 88.7 | Confident | 87.4 | Confident | 26 Ų | 26 | 48 Ų | 48 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 143.7 | 168.8 | -53.1 | -172 | 0 | 0 | 0 | 109.2 | E851 V853 V869 V875 M877 | E851-L871 WeakPolarHBondContact OE1-CB 3.5Å; V853-L871 HydrophobicContact CB-CD2 3.99Å; V853-L871 HydrophobicContact CG1-CD2 3.73Å; V853-L871 HydrophobicContact CG2-CD2 3.83Å; V869-L871 HydrophobicContact CG1-CD2 3.58Å; V869-L871 HydrophobicContact CG1-CG 4.02Å; L871-V875 CarbonylContact C-O 3.55Å; L871-V875 WeakPolarHBondContact CB-O 3.28Å; L871-V875 HydrophobicContact CD1-CB 4.41Å; L871-V875 HydrophobicContact CD1-CG1 3.99Å; L871-M877 HydrophobicContact CB-CB 4.22Å; L871-M877 HydrophobicContact CD1-CB 4.39Å; L871-M877 HydrophobicContact CD1-CE 3.85Å; L871-M877 HydrophobicContact CG-CB 4.5Å; L871-M877 PolarHBondContact N-O 2.99Å; L871-M877 PolarHBondContact O-N 3.46Å |
| 872 | S | 81.9 | Confident | 87.8 | Confident | 40 Ų | 40 | 49 Ų | 49 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | trans | -156.6 | 68 | -178.5 | 48.7 | 0 | 0 | 0 | 0 | 114.1 | E851 K852 | E851-S872 PolarHBondContact OE1-N 3.39Å; K852-S872 WeakPolarHBondContact CB-O 3.43Å; K852-S872 WeakPolarHBondContact CB-OG 3.28Å; K852-S872 PolarHBondContact O-N 2.97Å; K852-S872 PolarHBondContact O-OG 2.91Å | ||
| 873 | G | 83.2 | Confident | 88.3 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 38% | 0.381 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -154.5 | -121 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E851 V875 | E851-G873 PolarHBondContact OE1-N 2.96Å; E851-G873 VanDerWaalsContact OE1-N 3.07Å; E851-G873 WeakPolarHBondContact OE2-CA 3.19Å; E851-G873 PolarHBondContact OE2-N 3.47Å; G873-V875 PolarHBondContact O-N 3.14Å |
| 874 | P | 75.9 | Confident | 88.5 | Confident | 15 Ų | 15 | 46.5 Ų | 46.5 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -49.5 | -29.1 | 167.1 | -29.7 | 37.1 | 0 | 0 | 0 | 115.2 | L848 K849 E851 Y902 T906 | L848-P874 HydrophobicContact CD2-CB 4.27Å; K849-P874 VanDerWaalsContact O-CG 3.22Å; K849-P874 WeakPolarHBondContact O-CG 3.27Å; E851-P874 VanDerWaalsContact OE2-CD 3.3Å; E851-P874 WeakPolarHBondContact OE2-CD 3.33Å; E851-P874 VanDerWaalsContact OE2-N 3.09Å; P874-Y902 WeakPolarHBondContact CA-OH 3.41Å; P874-Y902 WeakPolarHBondContact O-CE1 3.3Å; P874-Y902 VanDerWaalsContact O-CZ 3.27Å; P874-Y902 PolarHBondContact O-OH 3.45Å; P874-T906 HydrophobicContact CB-CG2 3.99Å; P874-T906 HydrophobicContact CG-CG2 4.09Å |
| 875 | V | 76.8 | Confident | 88.2 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -127.1 | 89 | 175.8 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | L848 E851 L871 G873 M877 I901 F905 | L848-V875 HydrophobicContact CD2-CB 4.44Å; L848-V875 HydrophobicContact CD2-CG2 3.6Å; E851-V875 PolarHBondContact OE2-N 2.94Å; L871-V875 CarbonylContact C-O 3.55Å; L871-V875 WeakPolarHBondContact CB-O 3.28Å; L871-V875 HydrophobicContact CD1-CB 4.41Å; L871-V875 HydrophobicContact CD1-CG1 3.99Å; G873-V875 PolarHBondContact O-N 3.14Å; V875-M877 HydrophobicContact CG1-CB 4.01Å; V875-M877 PolarHBondContact O-N 3.38Å; V875-M877 VanDerWaalsContact O-N 3.15Å; V875-I901 HydrophobicContact CG1-CD1 3.93Å; V875-I901 HydrophobicContact CG1-CG1 4.05Å; V875-F905 HydrophobicContact CG2-CB 4.36Å; V875-F905 HydrophobicContact CG2-CD1 3.62Å; V875-F905 HydrophobicContact CG2-CE1 4.28Å; V875-F905 HydrophobicContact CG2-CG 4.24Å |
| 876 | D | 81.4 | Confident | 87.8 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 21% | 0.214 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 94.1 | 177.6 | -173.3 | 32 | 0 | 0 | 0 | 109.5 | S898 K899 | D876-S898 CarbonylContact O-C 3.46Å; D876-S898 WeakPolarHBondContact O-CA 3.39Å; D876-S898 WeakPolarHBondContact O-CB 3.38Å; D876-S898 PolarHBondContact O-OG 3.22Å; D876-K899 PolarHBondContact O-N 3.1Å; D876-K899 VanDerWaalsContact O-N 3.14Å; D876-K899 WeakPolarHBondContact OD2-CD 3.14Å; D876-K899 IonicContact OD2-NZ 3.96Å; D876-K899 PolarHBondContact OD2-NZ 2.59Å; D876-K899 VanDerWaalsContact OD2-NZ 3.09Å |
| 877 | M | 90.1 | Very high | 87.4 | Confident | 30 Ų | 30 | 46 Ų | 46 | 15% | 0.148 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 114.7 | -168.4 | -176 | 177.2 | 81.9 | 0 | 0 | 114.4 | L871 V875 L879 V896 | L871-M877 HydrophobicContact CB-CB 4.22Å; L871-M877 HydrophobicContact CD1-CB 4.39Å; L871-M877 HydrophobicContact CD1-CE 3.85Å; L871-M877 HydrophobicContact CG-CB 4.5Å; L871-M877 PolarHBondContact N-O 2.99Å; L871-M877 PolarHBondContact O-N 3.46Å; V875-M877 HydrophobicContact CG1-CB 4.01Å; V875-M877 PolarHBondContact O-N 3.38Å; V875-M877 VanDerWaalsContact O-N 3.15Å; M877-L879 HydrophobicContact CE-CB 4.2Å; M877-L879 HydrophobicContact CE-CD1 4.45Å; M877-V896 HydrophobicContact CG-CG1 3.83Å; M877-V896 HydrophobicContact SD-CG1 3.55Å; M877-V896 VanDerWaalsContact SD-CG1 3.55Å |
| 878 | D | 87.5 | Confident | 86.8 | Confident | 59 Ų | 59 | 45.3 Ų | 45.3 | 32% | 0.316 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 100.7 | 162.7 | -81.5 | -67.7 | 0 | 0 | 0 | 110.7 | V869 N870 N897 | V869-D878 CarbonylContact O-C 3.52Å; V869-D878 WeakPolarHBondContact O-CA 3.36Å; N870-D878 WeakPolarHBondContact CB-OD1 3.46Å; N870-D878 VanDerWaalsContact ND2-CG 3.28Å; N870-D878 PolarHBondContact ND2-OD1 3.05Å; N870-D878 PolarHBondContact ND2-OD2 3.38Å; D878-N897 HydrophobicContact CB-CB 4.19Å; D878-N897 PolarHBondContact N-O 2.73Å; D878-N897 PolarHBondContact O-N 2.98Å |
| 879 | L | 92.2 | Very high | 86.3 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 133.7 | 164.2 | 177.6 | 154 | 0 | 0 | 0 | 109.9 | V869 M877 A881 E895 V896 | V869-L879 HydrophobicContact CB-CB 4.35Å; V869-L879 HydrophobicContact CG2-CD2 4.24Å; V869-L879 PolarHBondContact N-O 3.45Å; V869-L879 PolarHBondContact O-N 3.44Å; M877-L879 HydrophobicContact CE-CB 4.2Å; M877-L879 HydrophobicContact CE-CD1 4.45Å; L879-A881 HydrophobicContact CD2-CB 4.22Å; L879-E895 CarbonylContact C-O 3.51Å; L879-E895 WeakPolarHBondContact CA-O 3.15Å; L879-V896 HydrophobicContact CB-CG2 4.45Å; L879-V896 HydrophobicContact CD1-CG2 4.07Å; L879-V896 HydrophobicContact CG-CG2 4.19Å |
| 880 | R | 91.4 | Very high | 86 | Confident | 152 Ų | 152 | 45.2 Ų | 45.2 | 57% | 0.574 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.4 | 166.9 | -65 | -178.6 | -174.6 | 168.9 | 2.5 | 109.4 | I867 V894 E895 | I867-R880 WeakPolarHBondContact O-CA 3.38Å; R880-V894 WeakPolarHBondContact O-CA 3.3Å; R880-E895 PolarHBondContact N-O 2.89Å; R880-E895 PolarHBondContact O-N 3.04Å |
| 881 | A | 91.7 | Very high | 86.1 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | I867 L879 N893 V894 | I867-A881 HydrophobicContact CB-CB 4.38Å; I867-A881 PolarHBondContact N-O 3.02Å; I867-A881 PolarHBondContact O-N 2.85Å; L879-A881 HydrophobicContact CD2-CB 4.22Å; A881-N893 WeakPolarHBondContact CA-O 2.99Å; A881-V894 HydrophobicContact CB-CG2 4.12Å |
| 882 | Q | 91.7 | Very high | 86.1 | Confident | 74 Ų | 74 | 44.7 Ų | 44.7 | 35% | 0.346 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.1 | 159.9 | -72.2 | 173.1 | -33.8 | 0 | 0 | 107.7 | E866 N893 | E866-Q882 HydrophobicContact CG-CG 4.44Å; E866-Q882 PolarHBondContact OE1-NE2 2.94Å; Q882-N893 HydrophobicContact CB-CB 4.37Å; Q882-N893 PolarHBondContact N-O 2.76Å; Q882-N893 PolarHBondContact O-N 3.34Å; Q882-N893 VanDerWaalsContact O-N 3.15Å; Q882-N893 PolarHBondContact OE1-ND2 2.89Å |
| 883 | T | 94 | Very high | 86.6 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 150.4 | 178.2 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | Q864 L865 L885 P891 | Q864-T883 WeakPolarHBondContact CA-O 3.41Å; L865-T883 HydrophobicContact CB-CG2 4.39Å; L865-T883 PolarHBondContact N-O 3.01Å; L865-T883 PolarHBondContact O-N 2.85Å; T883-L885 HydrophobicContact CG2-CD2 3.75Å; T883-L885 HydrophobicContact CG2-CG 4.21Å; T883-P891 WeakPolarHBondContact CA-O 3.44Å |
| 884 | R | 90.1 | Very high | 87 | Confident | 108 Ų | 108 | 45.6 Ų | 45.6 | 41% | 0.408 | 24% | 0.239 | S | C | . | . | trans | -116.5 | 93.5 | 171.7 | -62.9 | -179.3 | -178.1 | 173.3 | -1.9 | 107.9 | E863 Q864 A886 E887 P891 | E863-R884 WeakPolarHBondContact O-CG 3.16Å; Q864-R884 HydrophobicContact CB-CG 4.16Å; Q864-R884 HydrophobicContact CG-CG 4.28Å; R884-A886 PolarHBondContact O-N 2.77Å; R884-E887 HydrophobicContact CB-CB 4.12Å; R884-E887 HydrophobicContact CB-CG 4.4Å; R884-E887 WeakPolarHBondContact CD-OE1 3.47Å; R884-E887 IonicContact CZ-OE1 2.83Å; R884-E887 IonicContact NE-OE1 2.69Å; R884-E887 IonicContact NH1-OE1 2.92Å; R884-E887 PolarHBondContact NH1-OE1 2.78Å; R884-E887 PolarHBondContact O-N 2.76Å; R884-P891 HydrophobicContact CB-CG 4.28Å | ||
| 885 | L | 87.2 | Confident | 87.8 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.9 | -174.3 | -56.9 | 179.9 | 0 | 0 | 0 | 112.1 | V760 L761 L865 T883 E887 | V760-L885 CarbonylContact C-O 3.55Å; V760-L885 WeakPolarHBondContact CA-O 3.49Å; V760-L885 HydrophobicContact CB-CB 4.32Å; V760-L885 HydrophobicContact CB-CD2 4.39Å; V760-L885 HydrophobicContact CG1-CD2 4.25Å; V760-L885 PolarHBondContact N-O 3Å; L761-L885 HydrophobicContact CB-CB 3.48Å; L761-L885 VanDerWaalsContact CB-CB 3.48Å; L761-L885 HydrophobicContact CD2-CB 4.44Å; L761-L885 PolarHBondContact N-O 2.85Å; L865-L885 HydrophobicContact CD1-CD1 3.78Å; L865-L885 HydrophobicContact CD1-CG 4.43Å; T883-L885 HydrophobicContact CG2-CD2 3.75Å; T883-L885 HydrophobicContact CG2-CG 4.21Å; L885-E887 VanDerWaalsContact C-N 3.33Å; L885-E887 PolarHBondContact O-N 2.76Å |
| 886 | A | 82 | Confident | 88.5 | Confident | 49 Ų | 49 | 48.5 Ų | 48.5 | 41% | 0.405 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -1.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | P759 R884 | P759-A886 WeakPolarHBondContact CG-O 3.38Å; R884-A886 PolarHBondContact O-N 2.77Å |
| 887 | E | 83.3 | Confident | 88.9 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -103.2 | 140.3 | 178.4 | -94.6 | -164.5 | -124 | 0 | 0 | 113.9 | R884 L885 P891 K923 | R884-E887 HydrophobicContact CB-CB 4.12Å; R884-E887 HydrophobicContact CB-CG 4.4Å; R884-E887 WeakPolarHBondContact CD-OE1 3.47Å; R884-E887 IonicContact CZ-OE1 2.83Å; R884-E887 IonicContact NE-OE1 2.69Å; R884-E887 IonicContact NH1-OE1 2.92Å; R884-E887 PolarHBondContact NH1-OE1 2.78Å; R884-E887 PolarHBondContact O-N 2.76Å; L885-E887 VanDerWaalsContact C-N 3.33Å; L885-E887 PolarHBondContact O-N 2.76Å; E887-P891 HydrophobicContact CB-CG 3.43Å; E887-P891 VanDerWaalsContact CB-CG 3.43Å; E887-P891 HydrophobicContact CG-CG 4.13Å; E887-P891 VanDerWaalsContact OE2-CG 3.25Å; E887-P891 WeakPolarHBondContact OE2-CG 3.46Å; E887-K923 IonicContact OE2-NZ 2.71Å; E887-K923 PolarHBondContact OE2-NZ 3Å |
| 888 | A | 79 | Confident | 88.8 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 34% | 0.339 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 156.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L890 K923 | A888-L890 PolarHBondContact O-N 2.9Å; A888-K923 PolarHBondContact O-NZ 3.11Å |
| 889 | G | 82 | Confident | 88.6 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 0.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F756 K923 M924 | F756-G889 WeakPolarHBondContact O-CA 3.32Å; F756-G889 PolarHBondContact O-N 2.74Å; G889-K923 WeakPolarHBondContact O-CB 3.45Å; G889-M924 PolarHBondContact O-N 2.75Å |
| 890 | L | 87 | Confident | 88.2 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | trans | 41.4 | 80.4 | -171.8 | -172.4 | 57.8 | 0 | 0 | 0 | 112.3 | F756 V760 A888 L892 | F756-L890 HydrophobicContact CD1-CB 4.44Å; V760-L890 HydrophobicContact CG2-CD1 4.06Å; A888-L890 PolarHBondContact O-N 2.9Å; L890-L892 HydrophobicContact CG-CB 4.42Å; L890-L892 WeakPolarHBondContact O-CB 3.48Å; L890-L892 PolarHBondContact O-N 2.96Å | ||
| 891 | P | 91.5 | Very high | 88 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 14% | 0.143 | 25% | 0.248 | C | C | . | . | trans | -61.8 | 111.6 | 176 | -6.8 | 19.3 | 0 | 0 | 0 | 109 | T883 R884 E887 | T883-P891 WeakPolarHBondContact CA-O 3.44Å; R884-P891 HydrophobicContact CB-CG 4.28Å; E887-P891 HydrophobicContact CB-CG 3.43Å; E887-P891 VanDerWaalsContact CB-CG 3.43Å; E887-P891 HydrophobicContact CG-CG 4.13Å; E887-P891 VanDerWaalsContact OE2-CG 3.25Å; E887-P891 WeakPolarHBondContact OE2-CG 3.46Å | ||
| 892 | L | 88.5 | Confident | 87.6 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 19% | 0.194 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 113.3 | -165.9 | -173.9 | 64.2 | 0 | 0 | 0 | 110.4 | L890 V894 L920 | L890-L892 HydrophobicContact CG-CB 4.42Å; L890-L892 WeakPolarHBondContact O-CB 3.48Å; L890-L892 PolarHBondContact O-N 2.96Å; L892-V894 HydrophobicContact CD1-CG2 3.66Å; L892-V894 HydrophobicContact CD2-CG2 4.19Å; L892-V894 HydrophobicContact CG-CG2 3.78Å; L892-L920 HydrophobicContact CD2-CD2 4.31Å |
| 893 | N | 91.4 | Very high | 86.9 | Confident | 69 Ų | 69 | 51 Ų | 51 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 112.9 | 165.7 | -61.6 | -37.4 | 0 | 0 | 0 | 107.3 | A881 Q882 T921 | A881-N893 WeakPolarHBondContact CA-O 2.99Å; Q882-N893 HydrophobicContact CB-CB 4.37Å; Q882-N893 PolarHBondContact N-O 2.76Å; Q882-N893 PolarHBondContact O-N 3.34Å; Q882-N893 VanDerWaalsContact O-N 3.15Å; Q882-N893 PolarHBondContact OE1-ND2 2.89Å; N893-T921 HydrophobicContact CB-CG2 4.36Å |
| 894 | V | 92.4 | Very high | 85.8 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 16% | 0.158 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.5 | 175.7 | 166.1 | 0 | 0 | 0 | 0 | 109.2 | R880 A881 L892 V896 K919 L920 | R880-V894 WeakPolarHBondContact O-CA 3.3Å; A881-V894 HydrophobicContact CB-CG2 4.12Å; L892-V894 HydrophobicContact CD1-CG2 3.66Å; L892-V894 HydrophobicContact CD2-CG2 4.19Å; L892-V894 HydrophobicContact CG-CG2 3.78Å; V894-V896 HydrophobicContact CG1-CG2 3.84Å; V894-K919 WeakPolarHBondContact O-CA 3.33Å; V894-L920 HydrophobicContact CB-CB 4.45Å; V894-L920 PolarHBondContact N-O 3.13Å; V894-L920 PolarHBondContact O-N 2.9Å |
| 895 | E | 93 | Very high | 85 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 114.5 | 168.4 | -64.9 | -169.6 | 163.4 | 0 | 0 | 108.9 | L879 R880 K919 | L879-E895 CarbonylContact C-O 3.51Å; L879-E895 WeakPolarHBondContact CA-O 3.15Å; R880-E895 PolarHBondContact N-O 2.89Å; R880-E895 PolarHBondContact O-N 3.04Å; E895-K919 HydrophobicContact CG-CD 4.07Å; E895-K919 HydrophobicContact CG-CG 4.12Å; E895-K919 WeakPolarHBondContact OE1-CD 3.48Å; E895-K919 VanDerWaalsContact OE1-CE 3.29Å; E895-K919 WeakPolarHBondContact OE1-CE 3.42Å; E895-K919 IonicContact OE1-NZ 2.74Å; E895-K919 PolarHBondContact OE1-NZ 2.92Å |
| 896 | V | 90.4 | Very high | 83.9 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 12% | 0.121 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 116.9 | 172.3 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | M877 L879 V894 K917 L918 | M877-V896 HydrophobicContact CG-CG1 3.83Å; M877-V896 HydrophobicContact SD-CG1 3.55Å; M877-V896 VanDerWaalsContact SD-CG1 3.55Å; L879-V896 HydrophobicContact CB-CG2 4.45Å; L879-V896 HydrophobicContact CD1-CG2 4.07Å; L879-V896 HydrophobicContact CG-CG2 4.19Å; V894-V896 HydrophobicContact CG1-CG2 3.84Å; V896-K917 CarbonylContact O-C 3.24Å; V896-K917 WeakPolarHBondContact O-CA 3.49Å; V896-L918 HydrophobicContact CB-CB 4.37Å; V896-L918 PolarHBondContact N-O 2.81Å; V896-L918 PolarHBondContact O-N 3.43Å |
| 897 | N | 90.2 | Very high | 83.3 | Confident | 54 Ų | 54 | 51 Ų | 51 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 95.2 | 179.6 | -66.8 | -95.6 | 0 | 0 | 0 | 108.9 | D878 L916 | D878-N897 HydrophobicContact CB-CB 4.19Å; D878-N897 PolarHBondContact N-O 2.73Å; D878-N897 PolarHBondContact O-N 2.98Å; N897-L916 CarbonylContact C-O 3.58Å; N897-L916 VanDerWaalsContact CA-O 3.3Å; N897-L916 WeakPolarHBondContact CA-O 3.36Å |
| 898 | S | 88 | Confident | 82.8 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.028 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 141.6 | 170.9 | 174 | 0 | 0 | 0 | 0 | 110.8 | D876 Q900 I901 D915 L916 | D876-S898 CarbonylContact O-C 3.46Å; D876-S898 WeakPolarHBondContact O-CA 3.39Å; D876-S898 WeakPolarHBondContact O-CB 3.38Å; D876-S898 PolarHBondContact O-OG 3.22Å; S898-Q900 PolarHBondContact OG-N 3.02Å; S898-Q900 VanDerWaalsContact OG-N 3.1Å; S898-Q900 PolarHBondContact OG-O 2.84Å; S898-I901 PolarHBondContact OG-N 2.78Å; S898-D915 CarbonylContact O-C 3.58Å; S898-D915 VanDerWaalsContact O-C 3.28Å; S898-D915 WeakPolarHBondContact O-CA 3.46Å; S898-L916 PolarHBondContact N-O 2.72Å; S898-L916 PolarHBondContact O-N 3.47Å |
| 899 | K | 83.3 | Confident | 82.6 | Confident | 137 Ų | 137 | 58.3 Ų | 58.3 | 60% | 0.596 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | -26.3 | 168.3 | -64.3 | -168.9 | -156.1 | 114.4 | 0 | 112.4 | D876 D914 D915 | D876-K899 PolarHBondContact O-N 3.1Å; D876-K899 VanDerWaalsContact O-N 3.14Å; D876-K899 WeakPolarHBondContact OD2-CD 3.14Å; D876-K899 IonicContact OD2-NZ 3.96Å; D876-K899 PolarHBondContact OD2-NZ 2.59Å; D876-K899 VanDerWaalsContact OD2-NZ 3.09Å; K899-D914 CarbonylContact O-C 3.49Å; K899-D914 WeakPolarHBondContact O-CA 3.46Å; K899-D915 PolarHBondContact O-N 2.91Å |
| 900 | Q | 84.5 | Confident | 82.4 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 116.4 | -177 | -179.8 | 161 | 127.1 | 0 | 0 | 109.8 | S898 Y902 D914 | S898-Q900 PolarHBondContact OG-N 3.02Å; S898-Q900 VanDerWaalsContact OG-N 3.1Å; S898-Q900 PolarHBondContact OG-O 2.84Å; Q900-Y902 HydrophobicContact CG-CD1 3.99Å; Q900-Y902 HydrophobicContact CG-CE1 4.39Å; Q900-D914 WeakPolarHBondContact CB-OD1 3.49Å; Q900-D914 WeakPolarHBondContact CG-OD1 3.32Å; Q900-D914 PolarHBondContact NE2-OD1 2.81Å |
| 901 | I | 86.1 | Confident | 82.2 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 18% | 0.179 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 150.5 | 166.7 | -168.7 | 167.5 | 0 | 0 | 0 | 108.8 | V875 S898 F905 Q912 A913 L916 | V875-I901 HydrophobicContact CG1-CD1 3.93Å; V875-I901 HydrophobicContact CG1-CG1 4.05Å; S898-I901 PolarHBondContact OG-N 2.78Å; I901-F905 HydrophobicContact CD1-CE1 4Å; I901-F905 HydrophobicContact CG1-CD1 4.36Å; I901-F905 HydrophobicContact CG1-CE1 3.83Å; I901-Q912 CarbonylContact O-C 3.36Å; I901-Q912 WeakPolarHBondContact O-CA 3.31Å; I901-A913 HydrophobicContact CG2-CB 3.78Å; I901-A913 PolarHBondContact N-O 2.89Å; I901-A913 PolarHBondContact O-N 2.86Å; I901-L916 HydrophobicContact CG2-CB 4.5Å; I901-L916 HydrophobicContact CG2-CD2 3.77Å |
| 902 | Y | 83.1 | Confident | 81.9 | Confident | 24 Ų | 24 | 64.4 Ų | 64.4 | 9% | 0.094 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 155.5 | -175.7 | 54.4 | -86.7 | 0 | 0 | 0 | 112.1 | P874 Q900 P904 F905 K909 Y911 | P874-Y902 WeakPolarHBondContact CA-OH 3.41Å; P874-Y902 WeakPolarHBondContact O-CE1 3.3Å; P874-Y902 VanDerWaalsContact O-CZ 3.27Å; P874-Y902 PolarHBondContact O-OH 3.45Å; Q900-Y902 HydrophobicContact CG-CD1 3.99Å; Q900-Y902 HydrophobicContact CG-CE1 4.39Å; Y902-P904 VanDerWaalsContact CD2-O 3.28Å; Y902-P904 WeakPolarHBondContact CD2-O 2.99Å; Y902-F905 VanDerWaalsContact CE2-C 3.49Å; Y902-F905 WeakPolarHBondContact CE2-O 3.45Å; Y902-F905 VanDerWaalsContact CZ-O 3.24Å; Y902-F905 WeakPolarHBondContact O-CA 3.32Å; Y902-F905 WeakPolarHBondContact O-CD1 3.44Å; Y902-F905 WeakPolarHBondContact O-CE1 3.33Å; Y902-F905 PolarHBondContact OH-O 3.26Å; Y902-F905 VanDerWaalsContact OH-O 3.13Å; Y902-K909 HydrophobicContact CD1-CD 3.9Å; Y902-K909 VanDerWaalsContact CD1-NZ 3.28Å; Y902-K909 HydrophobicContact CD2-CB 4.04Å; Y902-K909 HydrophobicContact CD2-CD 3.59Å; Y902-K909 HydrophobicContact CD2-CG 3.49Å; Y902-K909 VanDerWaalsContact CD2-CG 3.49Å; Y902-K909 HydrophobicContact CE1-CD 4.18Å; Y902-K909 HydrophobicContact CE2-CD 3.87Å; Y902-K909 HydrophobicContact CE2-CG 3.84Å; Y902-K909 HydrophobicContact CG-CB 4.35Å; Y902-K909 HydrophobicContact CG-CD 3.61Å; Y902-K909 HydrophobicContact CG-CG 3.98Å; Y902-K909 VanDerWaalsContact CZ-CE 3.48Å; Y902-Y911 CarbonylContact C-O 3.3Å; Y902-Y911 WeakPolarHBondContact CA-O 3.2Å; Y902-Y911 WeakPolarHBondContact CB-O 3.25Å |
| 903 | W | 77.1 | Confident | 81.9 | Confident | 145 Ų | 145 | 63.5 Ų | 63.5 | 55% | 0.549 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.9 | -178.6 | 179.2 | -98.4 | 0 | 0 | 0 | 110.8 | F905 Q910 Y911 | W903-F905 AromaticContact CE3-CD2 3.91Å; W903-F905 HydrophobicContact CE3-CD2 3.91Å; W903-F905 AromaticContact CE3-CE2 3.61Å; W903-F905 HydrophobicContact CE3-CE2 3.61Å; W903-F905 AromaticContact CE3-CZ 3.98Å; W903-F905 HydrophobicContact CE3-CZ 3.98Å; W903-F905 AromaticContact CZ3-CD2 3.86Å; W903-F905 HydrophobicContact CZ3-CD2 3.86Å; W903-F905 AromaticContact CZ3-CE2 3.55Å; W903-F905 HydrophobicContact CZ3-CE2 3.55Å; W903-F905 HydrophobicContact CZ3-CZ 4.3Å; W903-Q910 CarbonylContact O-C 3.56Å; W903-Q910 PolarHBondContact O-N 2.85Å; W903-Y911 PolarHBondContact N-O 2.82Å; W903-Y911 PolarHBondContact O-N 2.95Å |
| 904 | P | 71.1 | Confident | 81.6 | Confident | 42 Ų | 42 | 61.6 Ų | 61.6 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | S | Bend | cis | -59.5 | 155 | -14.7 | -20.6 | 33.8 | 0 | 0 | 0 | 111.7 | Y902 T906 | Y902-P904 VanDerWaalsContact CD2-O 3.28Å; Y902-P904 WeakPolarHBondContact CD2-O 2.99Å; P904-T906 PolarHBondContact O-N 2.84Å; P904-T906 VanDerWaalsContact O-N 3.16Å |
| 905 | F | 73 | Confident | 81.5 | Confident | 67 Ų | 67 | 65.1 Ų | 65.1 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -67.2 | -16.1 | -169.9 | -63.2 | -65.9 | 0 | 0 | 0 | 114.7 | P847 L848 V875 I901 Y902 W903 | P847-F905 HydrophobicContact CB-CB 4.2Å; P847-F905 HydrophobicContact CG-CB 4.27Å; L848-F905 HydrophobicContact CD2-CB 3.77Å; L848-F905 HydrophobicContact CD2-CG 4.3Å; V875-F905 HydrophobicContact CG2-CB 4.36Å; V875-F905 HydrophobicContact CG2-CD1 3.62Å; V875-F905 HydrophobicContact CG2-CE1 4.28Å; V875-F905 HydrophobicContact CG2-CG 4.24Å; I901-F905 HydrophobicContact CD1-CE1 4Å; I901-F905 HydrophobicContact CG1-CD1 4.36Å; I901-F905 HydrophobicContact CG1-CE1 3.83Å; Y902-F905 VanDerWaalsContact CE2-C 3.49Å; Y902-F905 WeakPolarHBondContact CE2-O 3.45Å; Y902-F905 VanDerWaalsContact CZ-O 3.24Å; Y902-F905 WeakPolarHBondContact O-CA 3.32Å; Y902-F905 WeakPolarHBondContact O-CD1 3.44Å; Y902-F905 WeakPolarHBondContact O-CE1 3.33Å; Y902-F905 PolarHBondContact OH-O 3.26Å; Y902-F905 VanDerWaalsContact OH-O 3.13Å; W903-F905 AromaticContact CE3-CD2 3.91Å; W903-F905 HydrophobicContact CE3-CD2 3.91Å; W903-F905 AromaticContact CE3-CE2 3.61Å; W903-F905 HydrophobicContact CE3-CE2 3.61Å; W903-F905 AromaticContact CE3-CZ 3.98Å; W903-F905 HydrophobicContact CE3-CZ 3.98Å; W903-F905 AromaticContact CZ3-CD2 3.86Å; W903-F905 HydrophobicContact CZ3-CD2 3.86Å; W903-F905 AromaticContact CZ3-CE2 3.55Å; W903-F905 HydrophobicContact CZ3-CE2 3.55Å; W903-F905 HydrophobicContact CZ3-CZ 4.3Å |
| 906 | T | 65.2 | Low | 81.5 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 22% | 0.221 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -145.4 | 178.8 | 155.6 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | E846 P847 P874 P904 | E846-T906 PolarHBondContact OE2-OG1 2.85Å; P847-T906 WeakPolarHBondContact CA-OG1 3.12Å; P847-T906 WeakPolarHBondContact CB-OG1 3.18Å; P847-T906 WeakPolarHBondContact O-CB 3.4Å; P847-T906 WeakPolarHBondContact O-CG2 3.29Å; P847-T906 PolarHBondContact O-OG1 3.17Å; P874-T906 HydrophobicContact CB-CG2 3.99Å; P874-T906 HydrophobicContact CG-CG2 4.09Å; P904-T906 PolarHBondContact O-N 2.84Å; P904-T906 VanDerWaalsContact O-N 3.16Å |
| 907 | G | 69.3 | Low | 81.6 | Confident | 65 Ų | 65 | 67.8 Ų | 67.8 | 67% | 0.67 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 90.4 | -162 | -158 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 908 | E | 72.4 | Confident | 81.7 | Confident | 180 Ų | 180 | 67.6 Ų | 67.6 | 84% | 0.841 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -72.1 | 138.6 | 168.9 | -71 | -158.9 | 123.4 | 0 | 0 | 110.8 | Q910 | E908-Q910 VanDerWaalsContact C-N 3.31Å; E908-Q910 PolarHBondContact O-N 3.18Å |
| 909 | K | 75.7 | Confident | 81.8 | Confident | 78 Ų | 78 | 71.1 Ų | 71.1 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | trans | -78.6 | 78.8 | -173 | -51.4 | -167.2 | 177.1 | -154.7 | 0 | 110.1 | Y902 Y911 | Y902-K909 HydrophobicContact CD1-CD 3.9Å; Y902-K909 VanDerWaalsContact CD1-NZ 3.28Å; Y902-K909 HydrophobicContact CD2-CB 4.04Å; Y902-K909 HydrophobicContact CD2-CD 3.59Å; Y902-K909 HydrophobicContact CD2-CG 3.49Å; Y902-K909 VanDerWaalsContact CD2-CG 3.49Å; Y902-K909 HydrophobicContact CE1-CD 4.18Å; Y902-K909 HydrophobicContact CE2-CD 3.87Å; Y902-K909 HydrophobicContact CE2-CG 3.84Å; Y902-K909 HydrophobicContact CG-CB 4.35Å; Y902-K909 HydrophobicContact CG-CD 3.61Å; Y902-K909 HydrophobicContact CG-CG 3.98Å; Y902-K909 VanDerWaalsContact CZ-CE 3.48Å; K909-Y911 PolarHBondContact O-N 2.93Å | ||
| 910 | Q | 77.4 | Confident | 82.3 | Confident | 88 Ų | 88 | 66.3 Ų | 66.3 | 41% | 0.411 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -59 | -30.6 | -179.6 | -64.8 | -175.2 | -15.3 | 0 | 0 | 112.4 | W903 E908 G937 L938 | W903-Q910 CarbonylContact O-C 3.56Å; W903-Q910 PolarHBondContact O-N 2.85Å; E908-Q910 VanDerWaalsContact C-N 3.31Å; E908-Q910 PolarHBondContact O-N 3.18Å; Q910-G937 CarbonylContact O-C 3.55Å; Q910-G937 VanDerWaalsContact O-C 3.25Å; Q910-G937 WeakPolarHBondContact O-CA 3.49Å; Q910-L938 PolarHBondContact O-N 3.45Å |
| 911 | Y | 83.3 | Confident | 82.6 | Confident | 93 Ų | 93 | 64.5 Ų | 64.5 | 37% | 0.365 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 148.8 | 171.5 | -54 | -80.3 | 0 | 0 | 0 | 108.9 | Y902 W903 K909 K936 L938 I940 | Y902-Y911 CarbonylContact C-O 3.3Å; Y902-Y911 WeakPolarHBondContact CA-O 3.2Å; Y902-Y911 WeakPolarHBondContact CB-O 3.25Å; W903-Y911 PolarHBondContact N-O 2.82Å; W903-Y911 PolarHBondContact O-N 2.95Å; K909-Y911 PolarHBondContact O-N 2.93Å; Y911-K936 CarbonylContact C-O 3.59Å; Y911-K936 VanDerWaalsContact CA-O 3.3Å; Y911-K936 WeakPolarHBondContact CA-O 3.36Å; Y911-L938 HydrophobicContact CE1-CB 4.31Å; Y911-I940 HydrophobicContact CD1-CD1 3.94Å; Y911-I940 HydrophobicContact CE1-CD1 3.78Å; Y911-I940 HydrophobicContact CE1-CG1 4.32Å |
| 912 | Q | 85.2 | Confident | 82.7 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 159.8 | -175.2 | 176.6 | 162.1 | -13.8 | 0 | 0 | 110.4 | I901 D914 V935 K936 | I901-Q912 CarbonylContact O-C 3.36Å; I901-Q912 WeakPolarHBondContact O-CA 3.31Å; Q912-D914 PolarHBondContact NE2-OD1 2.88Å; Q912-D914 PolarHBondContact NE2-OD2 3.1Å; Q912-V935 CarbonylContact O-C 3.31Å; Q912-V935 WeakPolarHBondContact O-CA 3.39Å; Q912-V935 WeakPolarHBondContact O-CB 3.39Å; Q912-K936 HydrophobicContact CB-CG 3.8Å; Q912-K936 HydrophobicContact CG-CG 4.25Å; Q912-K936 PolarHBondContact N-O 2.86Å; Q912-K936 PolarHBondContact O-N 3.4Å; Q912-K936 VanDerWaalsContact OE1-CE 3.23Å |
| 913 | A | 87.7 | Confident | 82.9 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 96 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | I901 T933 V935 | I901-A913 HydrophobicContact CG2-CB 3.78Å; I901-A913 PolarHBondContact N-O 2.89Å; I901-A913 PolarHBondContact O-N 2.86Å; A913-T933 VanDerWaalsContact C-OG1 3.28Å; A913-T933 WeakPolarHBondContact CA-OG1 3.38Å; A913-T933 HydrophobicContact CB-CG2 4.49Å; A913-T933 VanDerWaalsContact CB-OG1 3.28Å; A913-T933 WeakPolarHBondContact CB-OG1 3.3Å; A913-V935 HydrophobicContact CB-CG1 4.26Å |
| 914 | D | 86.1 | Confident | 83.4 | Confident | 30 Ų | 30 | 62.3 Ų | 62.3 | 16% | 0.16 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 157.5 | 176.6 | -62.8 | -51 | 0 | 0 | 0 | 111.8 | K899 Q900 Q912 L916 T933 A934 K936 | K899-D914 CarbonylContact O-C 3.49Å; K899-D914 WeakPolarHBondContact O-CA 3.46Å; Q900-D914 WeakPolarHBondContact CB-OD1 3.49Å; Q900-D914 WeakPolarHBondContact CG-OD1 3.32Å; Q900-D914 PolarHBondContact NE2-OD1 2.81Å; Q912-D914 PolarHBondContact NE2-OD1 2.88Å; Q912-D914 PolarHBondContact NE2-OD2 3.1Å; D914-L916 PolarHBondContact O-N 2.93Å; D914-T933 PolarHBondContact N-OG1 2.91Å; D914-T933 CarbonylContact O-C 3.28Å; D914-T933 VanDerWaalsContact O-C 3.28Å; D914-T933 WeakPolarHBondContact O-CA 3.38Å; D914-T933 WeakPolarHBondContact O-CB 3.41Å; D914-T933 PolarHBondContact O-OG1 3.02Å; D914-A934 HydrophobicContact CB-CB 4.22Å; D914-A934 PolarHBondContact N-O 2.87Å; D914-A934 PolarHBondContact O-N 2.96Å; D914-K936 IonicContact OD2-NZ 2.79Å; D914-K936 PolarHBondContact OD2-NZ 3.46Å |
| 915 | D | 90.2 | Very high | 84.1 | Confident | 99 Ų | 99 | 63.3 Ų | 63.3 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 43.6 | 37.1 | -179.6 | -76 | -42.2 | 0 | 0 | 0 | 114.4 | S898 K899 K917 R932 | S898-D915 CarbonylContact O-C 3.58Å; S898-D915 VanDerWaalsContact O-C 3.28Å; S898-D915 WeakPolarHBondContact O-CA 3.46Å; K899-D915 PolarHBondContact O-N 2.91Å; D915-K917 PolarHBondContact O-N 2.79Å; D915-R932 VanDerWaalsContact O-O 3.06Å |
| 916 | L | 92.4 | Very high | 85 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 106.8 | 177.9 | 174.5 | 63 | 0 | 0 | 0 | 110.7 | N897 S898 I901 D914 L918 M931 R932 T933 | N897-L916 CarbonylContact C-O 3.58Å; N897-L916 VanDerWaalsContact CA-O 3.3Å; N897-L916 WeakPolarHBondContact CA-O 3.36Å; S898-L916 PolarHBondContact N-O 2.72Å; S898-L916 PolarHBondContact O-N 3.47Å; I901-L916 HydrophobicContact CG2-CB 4.5Å; I901-L916 HydrophobicContact CG2-CD2 3.77Å; D914-L916 PolarHBondContact O-N 2.93Å; L916-L918 HydrophobicContact CD1-CB 4.24Å; L916-M931 HydrophobicContact CD1-CG 3.92Å; L916-M931 HydrophobicContact CD1-SD 4.35Å; L916-R932 CarbonylContact C-O 3.58Å; L916-R932 WeakPolarHBondContact CA-O 3.44Å; L916-T933 HydrophobicContact CD1-CG2 4.4Å |
| 917 | K | 91.6 | Very high | 86.3 | Confident | 116 Ų | 116 | 66.1 Ų | 66.1 | 50% | 0.504 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 98.6 | 167.8 | -60.7 | -169.6 | 179.7 | -172.3 | 0 | 108 | V896 D915 M931 R932 | V896-K917 CarbonylContact O-C 3.24Å; V896-K917 WeakPolarHBondContact O-CA 3.49Å; D915-K917 PolarHBondContact O-N 2.79Å; K917-M931 CarbonylContact O-C 3.06Å; K917-M931 WeakPolarHBondContact O-CA 3.16Å; K917-R932 PolarHBondContact N-O 2.63Å; K917-R932 PolarHBondContact O-N 2.67Å |
| 918 | L | 92.9 | Very high | 87.5 | Confident | 51 Ų | 51 | 66 Ų | 66 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.9 | 170.8 | 180 | 152.3 | 0 | 0 | 0 | 108.3 | V896 L916 L929 S930 M931 | V896-L918 HydrophobicContact CB-CB 4.37Å; V896-L918 PolarHBondContact N-O 2.81Å; V896-L918 PolarHBondContact O-N 3.43Å; L916-L918 HydrophobicContact CD1-CB 4.24Å; L918-L929 HydrophobicContact CD1-CD1 4.27Å; L918-L929 HydrophobicContact CD2-CD1 4.48Å; L918-L929 HydrophobicContact CG-CD1 4.05Å; L918-S930 CarbonylContact C-O 3.57Å; L918-S930 WeakPolarHBondContact CA-O 3.45Å; L918-M931 HydrophobicContact CB-CG 4.46Å |
| 919 | K | 91.3 | Very high | 88.4 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 34% | 0.335 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 120.4 | 171.6 | 177.8 | 165.9 | -176.1 | 157.9 | 0 | 109.6 | V894 E895 T921 S930 | V894-K919 WeakPolarHBondContact O-CA 3.33Å; E895-K919 HydrophobicContact CG-CD 4.07Å; E895-K919 HydrophobicContact CG-CG 4.12Å; E895-K919 WeakPolarHBondContact OE1-CD 3.48Å; E895-K919 VanDerWaalsContact OE1-CE 3.29Å; E895-K919 WeakPolarHBondContact OE1-CE 3.42Å; E895-K919 IonicContact OE1-NZ 2.74Å; E895-K919 PolarHBondContact OE1-NZ 2.92Å; K919-T921 HydrophobicContact CD-CG2 4.38Å; K919-T921 HydrophobicContact CG-CG2 4.15Å; K919-S930 PolarHBondContact N-O 2.86Å; K919-S930 PolarHBondContact O-N 3.17Å |
| 920 | L | 93.9 | Very high | 89.2 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 19% | 0.188 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.9 | 169.1 | -178.6 | 68.6 | 0 | 0 | 0 | 107.8 | L892 V894 Y927 T928 | L892-L920 HydrophobicContact CD2-CD2 4.31Å; V894-L920 HydrophobicContact CB-CB 4.45Å; V894-L920 PolarHBondContact N-O 3.13Å; V894-L920 PolarHBondContact O-N 2.9Å; L920-Y927 HydrophobicContact CD1-CD2 3.82Å; L920-Y927 HydrophobicContact CD1-CG 4.12Å; L920-T928 WeakPolarHBondContact CA-O 3.33Å |
| 921 | T | 89.3 | Confident | 89.9 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 131.4 | 179 | 30.8 | 0 | 0 | 0 | 0 | 112 | N893 K919 T928 | N893-T921 HydrophobicContact CB-CG2 4.36Å; K919-T921 HydrophobicContact CD-CG2 4.38Å; K919-T921 HydrophobicContact CG-CG2 4.15Å; T921-T928 PolarHBondContact N-O 2.83Å; T921-T928 PolarHBondContact O-N 3.07Å; T921-T928 PolarHBondContact O-OG1 3.38Å; T921-T928 PolarHBondContact OG1-OG1 2.93Å |
| 922 | G | 88.6 | Confident | 90.4 | Very high | 34 Ų | 34 | 58.7 Ų | 58.7 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.2 | -140.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D926 | G922-D926 WeakPolarHBondContact CA-O 3.43Å |
| 923 | K | 88 | Confident | 90.7 | Very high | 70 Ų | 70 | 58 Ų | 58 | 30% | 0.304 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 163.6 | 161.4 | -68 | -159.8 | 173.7 | -159.6 | 0 | 107.3 | E887 A888 G889 T925 D926 | E887-K923 IonicContact OE2-NZ 2.71Å; E887-K923 PolarHBondContact OE2-NZ 3Å; A888-K923 PolarHBondContact O-NZ 3.11Å; G889-K923 WeakPolarHBondContact O-CB 3.45Å; K923-T925 PolarHBondContact O-N 2.84Å; K923-D926 PolarHBondContact N-O 2.93Å; K923-D926 VanDerWaalsContact N-O 3.13Å; K923-D926 CarbonylContact O-C 3.45Å; K923-D926 PolarHBondContact O-N 2.88Å |
| 924 | M | 86.6 | Confident | 90.8 | Very high | 53 Ų | 53 | 58.2 Ų | 58.2 | 26% | 0.261 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14.5 | -177.1 | -67.2 | -58.9 | -59.7 | 0 | 0 | 114.3 | F756 G889 | F756-M924 HydrophobicContact CB-CB 4.38Å; F756-M924 HydrophobicContact CD1-CB 3.9Å; F756-M924 HydrophobicContact CD1-CG 3.9Å; F756-M924 HydrophobicContact CD2-CB 3.34Å; F756-M924 HydrophobicContact CD2-CG 4.1Å; F756-M924 HydrophobicContact CE1-CB 4.01Å; F756-M924 HydrophobicContact CE1-CG 3.66Å; F756-M924 HydrophobicContact CE2-CB 3.47Å; F756-M924 VanDerWaalsContact CE2-CB 3.47Å; F756-M924 HydrophobicContact CE2-CE 4.18Å; F756-M924 HydrophobicContact CE2-CG 3.87Å; F756-M924 HydrophobicContact CG-CB 3.58Å; F756-M924 HydrophobicContact CG-CG 4.14Å; F756-M924 HydrophobicContact CZ-CB 3.81Å; F756-M924 HydrophobicContact CZ-CE 4.1Å; F756-M924 HydrophobicContact CZ-CG 3.64Å; G889-M924 PolarHBondContact O-N 2.75Å |
| 925 | T | 86.6 | Confident | 90.9 | Very high | 63 Ų | 63 | 58.1 Ų | 58.1 | 39% | 0.387 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -17.2 | 172.2 | 51.5 | 0 | 0 | 0 | 0 | 114.6 | K923 N952 | K923-T925 PolarHBondContact O-N 2.84Å; T925-N952 WeakPolarHBondContact O-CB 3.25Å |
| 926 | D | 91.4 | Very high | 90.5 | Very high | 121 Ų | 121 | 56.5 Ų | 56.5 | 65% | 0.647 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156 | 100.4 | 176.9 | 178.9 | 22.7 | 0 | 0 | 0 | 108.8 | G922 K923 | G922-D926 WeakPolarHBondContact CA-O 3.43Å; K923-D926 PolarHBondContact N-O 2.93Å; K923-D926 VanDerWaalsContact N-O 3.13Å; K923-D926 CarbonylContact O-C 3.45Å; K923-D926 PolarHBondContact O-N 2.88Å |
| 927 | Y | 92.9 | Very high | 90 | Very high | 42 Ų | 42 | 56.1 Ų | 56.1 | 17% | 0.165 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 145.8 | -173.4 | 68.6 | -94.4 | 0 | 0 | 0 | 113.6 | L920 L929 G951 | L920-Y927 HydrophobicContact CD1-CD2 3.82Å; L920-Y927 HydrophobicContact CD1-CG 4.12Å; Y927-L929 HydrophobicContact CD2-CB 4.44Å; Y927-G951 WeakPolarHBondContact CD1-O 3.49Å; Y927-G951 VanDerWaalsContact CE1-C 3.46Å; Y927-G951 PolarHBondContact N-O 2.94Å; Y927-G951 VanDerWaalsContact N-O 3.1Å; Y927-G951 PolarHBondContact O-N 2.81Å; Y927-G951 VanDerWaalsContact O-O 3.07Å |
| 928 | T | 94.8 | Very high | 89.1 | Confident | 63 Ų | 63 | 55.5 Ų | 55.5 | 39% | 0.387 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.5 | 170 | 46.7 | 0 | 0 | 0 | 0 | 109.1 | L920 T921 | L920-T928 WeakPolarHBondContact CA-O 3.33Å; T921-T928 PolarHBondContact N-O 2.83Å; T921-T928 PolarHBondContact O-N 3.07Å; T921-T928 PolarHBondContact O-OG1 3.38Å; T921-T928 PolarHBondContact OG1-OG1 2.93Å |
| 929 | L | 90.4 | Very high | 87.8 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 114.4 | 174.2 | 175 | 62.2 | 0 | 0 | 0 | 108.7 | L918 Y927 L947 A949 | L918-L929 HydrophobicContact CD1-CD1 4.27Å; L918-L929 HydrophobicContact CD2-CD1 4.48Å; L918-L929 HydrophobicContact CG-CD1 4.05Å; Y927-L929 HydrophobicContact CD2-CB 4.44Å; L929-L947 HydrophobicContact CD2-CD2 4.43Å; L929-A949 HydrophobicContact CB-CB 4.31Å; L929-A949 PolarHBondContact N-O 2.75Å; L929-A949 VanDerWaalsContact N-O 3.07Å; L929-A949 CarbonylContact O-C 3.56Å; L929-A949 PolarHBondContact O-N 3.45Å |
| 930 | S | 91.9 | Very high | 86.9 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.7 | 165.2 | 54.4 | 0 | 0 | 0 | 0 | 108.7 | L918 K919 | L918-S930 CarbonylContact C-O 3.57Å; L918-S930 WeakPolarHBondContact CA-O 3.45Å; K919-S930 PolarHBondContact N-O 2.86Å; K919-S930 PolarHBondContact O-N 3.17Å |
| 931 | M | 93.8 | Very high | 85.9 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 23% | 0.227 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 126.4 | 176.6 | -176.9 | -169.5 | 74.3 | 0 | 0 | 109.8 | L916 K917 L918 T933 I945 L947 | L916-M931 HydrophobicContact CD1-CG 3.92Å; L916-M931 HydrophobicContact CD1-SD 4.35Å; K917-M931 CarbonylContact O-C 3.06Å; K917-M931 WeakPolarHBondContact O-CA 3.16Å; L918-M931 HydrophobicContact CB-CG 4.46Å; M931-T933 HydrophobicContact CE-CG2 4.44Å; M931-I945 HydrophobicContact CE-CG2 3.79Å; M931-L947 HydrophobicContact CB-CB 4.27Å; M931-L947 HydrophobicContact CB-CD2 4.43Å; M931-L947 HydrophobicContact CE-CB 4.21Å; M931-L947 HydrophobicContact CE-CD2 4.13Å; M931-L947 PolarHBondContact N-O 2.79Å; M931-L947 PolarHBondContact O-N 2.89Å |
| 932 | R | 93 | Very high | 85.6 | Confident | 146 Ų | 146 | 63 Ų | 63 | 55% | 0.551 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.4 | 169.2 | 171 | 161.6 | -170.9 | 143 | 2 | 108.7 | D915 L916 K917 I945 T946 | D915-R932 VanDerWaalsContact O-O 3.06Å; L916-R932 CarbonylContact C-O 3.58Å; L916-R932 WeakPolarHBondContact CA-O 3.44Å; K917-R932 PolarHBondContact N-O 2.63Å; K917-R932 PolarHBondContact O-N 2.67Å; R932-I945 CarbonylContact C-O 3.55Å; R932-I945 WeakPolarHBondContact CA-O 3.17Å; R932-T946 HydrophobicContact CB-CG2 4.28Å; R932-T946 HydrophobicContact CG-CG2 3.93Å |
| 933 | T | 92.3 | Very high | 85.5 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 174.7 | 173.8 | -175 | 0 | 0 | 0 | 0 | 110.5 | A913 D914 L916 M931 V935 T944 I945 | A913-T933 VanDerWaalsContact C-OG1 3.28Å; A913-T933 WeakPolarHBondContact CA-OG1 3.38Å; A913-T933 HydrophobicContact CB-CG2 4.49Å; A913-T933 VanDerWaalsContact CB-OG1 3.28Å; A913-T933 WeakPolarHBondContact CB-OG1 3.3Å; D914-T933 PolarHBondContact N-OG1 2.91Å; D914-T933 CarbonylContact O-C 3.28Å; D914-T933 VanDerWaalsContact O-C 3.28Å; D914-T933 WeakPolarHBondContact O-CA 3.38Å; D914-T933 WeakPolarHBondContact O-CB 3.41Å; D914-T933 PolarHBondContact O-OG1 3.02Å; L916-T933 HydrophobicContact CD1-CG2 4.4Å; M931-T933 HydrophobicContact CE-CG2 4.44Å; T933-V935 HydrophobicContact CG2-CG1 3.97Å; T933-T944 CarbonylContact O-C 3.57Å; T933-T944 WeakPolarHBondContact O-CA 3.04Å; T933-T944 VanDerWaalsContact O-CG2 3.29Å; T933-T944 WeakPolarHBondContact O-CG2 3.31Å; T933-I945 HydrophobicContact CG2-CB 3.98Å; T933-I945 PolarHBondContact N-O 2.83Å; T933-I945 CarbonylContact O-C 3.42Å; T933-I945 PolarHBondContact O-N 2.88Å |
| 934 | A | 87.8 | Confident | 85.6 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 17% | 0.174 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 102.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D914 A943 T944 | D914-A934 HydrophobicContact CB-CB 4.22Å; D914-A934 PolarHBondContact N-O 2.87Å; D914-A934 PolarHBondContact O-N 2.96Å; A934-A943 CarbonylContact C-O 3.54Å; A934-A943 VanDerWaalsContact CA-O 3.31Å; A934-A943 WeakPolarHBondContact CA-O 3.41Å; A934-T944 HydrophobicContact CB-CG2 4.28Å |
| 935 | V | 88.6 | Confident | 85.9 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 18% | 0.176 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 165.7 | -173.6 | -54.5 | 0 | 0 | 0 | 0 | 113.1 | Q912 A913 T933 I940 P942 A943 I945 | Q912-V935 CarbonylContact O-C 3.31Å; Q912-V935 WeakPolarHBondContact O-CA 3.39Å; Q912-V935 WeakPolarHBondContact O-CB 3.39Å; A913-V935 HydrophobicContact CB-CG1 4.26Å; T933-V935 HydrophobicContact CG2-CG1 3.97Å; V935-I940 HydrophobicContact CG2-CG2 4.41Å; V935-P942 CarbonylContact O-C 3.45Å; V935-P942 WeakPolarHBondContact O-CA 3.15Å; V935-A943 HydrophobicContact CG2-CB 4Å; V935-A943 PolarHBondContact N-O 2.82Å; V935-A943 PolarHBondContact O-N 2.93Å; V935-I945 HydrophobicContact CB-CD1 4.39Å; V935-I945 HydrophobicContact CG1-CD1 3.66Å; V935-I945 HydrophobicContact CG1-CG1 4.14Å; V935-I945 HydrophobicContact CG2-CD1 3.78Å; V935-I945 HydrophobicContact CG2-CG1 4.03Å |
| 936 | K | 82 | Confident | 86.1 | Confident | 64 Ų | 64 | 58 Ų | 58 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 168.1 | 162.3 | 52.2 | -176.7 | 170.8 | -75.5 | 0 | 109 | Y911 Q912 D914 I940 P942 | Y911-K936 CarbonylContact C-O 3.59Å; Y911-K936 VanDerWaalsContact CA-O 3.3Å; Y911-K936 WeakPolarHBondContact CA-O 3.36Å; Q912-K936 HydrophobicContact CB-CG 3.8Å; Q912-K936 HydrophobicContact CG-CG 4.25Å; Q912-K936 PolarHBondContact N-O 2.86Å; Q912-K936 PolarHBondContact O-N 3.4Å; Q912-K936 VanDerWaalsContact OE1-CE 3.23Å; D914-K936 IonicContact OD2-NZ 2.79Å; D914-K936 PolarHBondContact OD2-NZ 3.46Å; K936-I940 CarbonylContact C-O 3.56Å; K936-P942 HydrophobicContact CB-CB 4.34Å; K936-P942 HydrophobicContact CB-CG 3.94Å; K936-P942 HydrophobicContact CD-CG 4.29Å |
| 937 | G | 82.7 | Confident | 86.2 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.3 | -170.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q910 E939 I940 | Q910-G937 CarbonylContact O-C 3.55Å; Q910-G937 VanDerWaalsContact O-C 3.25Å; Q910-G937 WeakPolarHBondContact O-CA 3.49Å; G937-E939 PolarHBondContact O-N 2.83Å; G937-I940 CarbonylContact C-O 3.47Å; G937-I940 PolarHBondContact N-O 2.94Å; G937-I940 CarbonylContact O-C 3.59Å; G937-I940 PolarHBondContact O-N 2.96Å |
| 938 | L | 72.5 | Confident | 86 | Confident | 102 Ų | 102 | 55.4 Ų | 55.4 | 53% | 0.534 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 116.8 | 176.7 | -159.9 | 75.2 | 0 | 0 | 0 | 108.2 | Q910 Y911 I940 | Q910-L938 PolarHBondContact O-N 3.45Å; Y911-L938 HydrophobicContact CE1-CB 4.31Å; L938-I940 PolarHBondContact O-N 3.27Å |
| 939 | E | 65 | Low | 86 | Confident | 195 Ų | 195 | 52.7 Ų | 52.7 | 91% | 0.911 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 4.4 | -169.4 | -50 | -165.9 | 158.5 | 0 | 0 | 115.7 | G937 | G937-E939 PolarHBondContact O-N 2.83Š|
| 940 | I | 73.8 | Confident | 86 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 38% | 0.379 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 116.4 | -177.3 | -62.6 | -175.3 | 0 | 0 | 0 | 111 | Y911 V935 K936 G937 L938 | Y911-I940 HydrophobicContact CD1-CD1 3.94Å; Y911-I940 HydrophobicContact CE1-CD1 3.78Å; Y911-I940 HydrophobicContact CE1-CG1 4.32Å; V935-I940 HydrophobicContact CG2-CG2 4.41Å; K936-I940 CarbonylContact C-O 3.56Å; G937-I940 CarbonylContact C-O 3.47Å; G937-I940 PolarHBondContact N-O 2.94Å; G937-I940 CarbonylContact O-C 3.59Å; G937-I940 PolarHBondContact O-N 2.96Å; L938-I940 PolarHBondContact O-N 3.27Å |
| 941 | P | 72.4 | Confident | 86 | Confident | 29 Ų | 29 | 54.4 Ų | 54.4 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 157.7 | -175.7 | 27.8 | -36.9 | 0 | 0 | 0 | 115.5 | A943 A965 L966 E998 | P941-A943 WeakPolarHBondContact O-CB 3.38Å; P941-A943 PolarHBondContact O-N 2.86Å; P941-A943 VanDerWaalsContact O-N 3.15Å; P941-A965 HydrophobicContact CG-CB 4.03Å; P941-L966 HydrophobicContact CB-CD1 4.05Å; P941-L966 HydrophobicContact CB-CD2 3.2Å; P941-L966 HydrophobicContact CB-CG 3.37Å; P941-L966 HydrophobicContact CG-CD1 3.96Å; P941-L966 HydrophobicContact CG-CD2 4.06Å; P941-L966 HydrophobicContact CG-CG 3.72Å; P941-E998 HydrophobicContact CB-CG 3.68Å |
| 942 | P | 82.7 | Confident | 85.8 | Confident | 59 Ų | 59 | 54.5 Ų | 54.5 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.5 | 114.2 | 160.4 | -27.8 | 36.3 | 0 | 0 | 0 | 113.2 | V935 K936 A965 L966 E998 | V935-P942 CarbonylContact O-C 3.45Å; V935-P942 WeakPolarHBondContact O-CA 3.15Å; K936-P942 HydrophobicContact CB-CB 4.34Å; K936-P942 HydrophobicContact CB-CG 3.94Å; K936-P942 HydrophobicContact CD-CG 4.29Å; P942-A965 WeakPolarHBondContact O-CA 3.24Å; P942-L966 PolarHBondContact O-N 2.82Å; P942-E998 VanDerWaalsContact CD-CD 3.5Å; P942-E998 WeakPolarHBondContact CD-OE1 3.28Å |
| 943 | A | 86.9 | Confident | 85.4 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 116.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A934 V935 P941 I945 V963 A964 A965 | A934-A943 CarbonylContact C-O 3.54Å; A934-A943 VanDerWaalsContact CA-O 3.31Å; A934-A943 WeakPolarHBondContact CA-O 3.41Å; V935-A943 HydrophobicContact CG2-CB 4Å; V935-A943 PolarHBondContact N-O 2.82Å; V935-A943 PolarHBondContact O-N 2.93Å; P941-A943 WeakPolarHBondContact O-CB 3.38Å; P941-A943 PolarHBondContact O-N 2.86Å; P941-A943 VanDerWaalsContact O-N 3.15Å; A943-I945 PolarHBondContact O-N 2.87Å; A943-I945 VanDerWaalsContact O-N 3.14Å; A943-V963 HydrophobicContact CB-CG1 3.7Å; A943-A964 WeakPolarHBondContact CA-O 3.48Å; A943-A965 VanDerWaalsContact CB-CA 3.5Å; A943-A965 HydrophobicContact CB-CB 3.6Å |
| 944 | T | 88.9 | Confident | 85.1 | Confident | 50 Ų | 50 | 50.9 Ų | 50.9 | 31% | 0.307 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 106.3 | 173.7 | -43.2 | 0 | 0 | 0 | 0 | 111.9 | T933 A934 V963 A964 | T933-T944 CarbonylContact O-C 3.57Å; T933-T944 WeakPolarHBondContact O-CA 3.04Å; T933-T944 VanDerWaalsContact O-CG2 3.29Å; T933-T944 WeakPolarHBondContact O-CG2 3.31Å; A934-T944 HydrophobicContact CB-CG2 4.28Å; T944-V963 WeakPolarHBondContact O-CA 3.42Å; T944-A964 PolarHBondContact N-O 3.38Å; T944-A964 PolarHBondContact O-N 2.92Å |
| 945 | I | 92.5 | Very high | 85.3 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125.5 | 171.1 | -55.6 | -173.1 | 0 | 0 | 0 | 109.8 | M931 R932 T933 V935 A943 L961 T962 V963 | M931-I945 HydrophobicContact CE-CG2 3.79Å; R932-I945 CarbonylContact C-O 3.55Å; R932-I945 WeakPolarHBondContact CA-O 3.17Å; T933-I945 HydrophobicContact CG2-CB 3.98Å; T933-I945 PolarHBondContact N-O 2.83Å; T933-I945 CarbonylContact O-C 3.42Å; T933-I945 PolarHBondContact O-N 2.88Å; V935-I945 HydrophobicContact CB-CD1 4.39Å; V935-I945 HydrophobicContact CG1-CD1 3.66Å; V935-I945 HydrophobicContact CG1-CG1 4.14Å; V935-I945 HydrophobicContact CG2-CD1 3.78Å; V935-I945 HydrophobicContact CG2-CG1 4.03Å; A943-I945 PolarHBondContact O-N 2.87Å; A943-I945 VanDerWaalsContact O-N 3.14Å; I945-L961 HydrophobicContact CG2-CD1 3.8Å; I945-T962 CarbonylContact C-O 3.45Å; I945-T962 WeakPolarHBondContact CA-O 3.2Å; I945-V963 HydrophobicContact CG1-CG1 4.38Å; I945-V963 HydrophobicContact CG1-CG2 4.33Å |
| 946 | T | 91.8 | Very high | 85.5 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 17% | 0.166 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.5 | 160.2 | 66.2 | 0 | 0 | 0 | 0 | 109.7 | R932 L961 T962 | R932-T946 HydrophobicContact CB-CG2 4.28Å; R932-T946 HydrophobicContact CG-CG2 3.93Å; T946-L961 CarbonylContact O-C 3.58Å; T946-L961 WeakPolarHBondContact O-CA 3.46Å; T946-T962 PolarHBondContact N-O 2.74Å; T946-T962 PolarHBondContact O-N 2.85Å; T946-T962 WeakPolarHBondContact OG1-CB 3.46Å |
| 947 | L | 94.2 | Very high | 86 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 13% | 0.131 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 112.7 | -178.1 | 167.6 | 61.3 | 0 | 0 | 0 | 108.1 | L929 M931 A949 L958 K960 L961 | L929-L947 HydrophobicContact CD2-CD2 4.43Å; M931-L947 HydrophobicContact CB-CB 4.27Å; M931-L947 HydrophobicContact CB-CD2 4.43Å; M931-L947 HydrophobicContact CE-CB 4.21Å; M931-L947 HydrophobicContact CE-CD2 4.13Å; M931-L947 PolarHBondContact N-O 2.79Å; M931-L947 PolarHBondContact O-N 2.89Å; L947-A949 HydrophobicContact CD1-CB 3.98Å; L947-A949 HydrophobicContact CG-CB 4.29Å; L947-L958 HydrophobicContact CD1-CD2 3.57Å; L947-K960 WeakPolarHBondContact CA-O 3.5Å; L947-L961 HydrophobicContact CB-CD1 4.11Å; L947-L961 HydrophobicContact CD1-CD1 4.44Å |
| 948 | D | 88.4 | Confident | 86.3 | Confident | 83 Ų | 83 | 52.9 Ų | 52.9 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.5 | 163.3 | -68.7 | -61 | 0 | 0 | 0 | 107.9 | D959 K960 | D948-D959 PolarHBondContact O-N 2.82Å; D948-K960 PolarHBondContact N-O 3.23Å; D948-K960 PolarHBondContact O-N 2.96Å |
| 949 | A | 93.7 | Very high | 86.9 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 5% | 0.05 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 147.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L929 L947 V956 N957 | L929-A949 HydrophobicContact CB-CB 4.31Å; L929-A949 PolarHBondContact N-O 2.75Å; L929-A949 VanDerWaalsContact N-O 3.07Å; L929-A949 CarbonylContact O-C 3.56Å; L929-A949 PolarHBondContact O-N 3.45Å; L947-A949 HydrophobicContact CD1-CB 3.98Å; L947-A949 HydrophobicContact CG-CB 4.29Å; A949-V956 HydrophobicContact CB-CG2 3.86Å; A949-N957 WeakPolarHBondContact CA-O 3.31Å |
| 950 | K | 90.5 | Very high | 88 | Confident | 121 Ų | 121 | 44.9 Ų | 44.9 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.3 | 170.8 | -55.5 | -170.7 | -173.3 | 84.6 | 0 | 108.4 | N957 D959 | K950-N957 PolarHBondContact N-O 2.8Å; K950-N957 PolarHBondContact O-N 3.06Å; K950-N957 VanDerWaalsContact O-N 3.14Å; K950-D959 IonicContact NZ-OD2 3.42Å; K950-D959 PolarHBondContact NZ-OD2 2.88Å |
| 951 | G | 92.3 | Very high | 88.8 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 164 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y927 Q955 | Y927-G951 WeakPolarHBondContact CD1-O 3.49Å; Y927-G951 VanDerWaalsContact CE1-C 3.46Å; Y927-G951 PolarHBondContact N-O 2.94Å; Y927-G951 VanDerWaalsContact N-O 3.1Å; Y927-G951 PolarHBondContact O-N 2.81Å; Y927-G951 VanDerWaalsContact O-O 3.07Å; G951-Q955 WeakPolarHBondContact CA-O 3.46Å |
| 952 | N | 89.9 | Confident | 89.7 | Confident | 48 Ų | 48 | 42.1 Ų | 42.1 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | trans | -143 | -159.5 | 168.6 | 59.9 | 15 | 0 | 0 | 0 | 106.7 | T925 Q954 Q955 | T925-N952 WeakPolarHBondContact O-CB 3.25Å; N952-Q954 PolarHBondContact O-N 2.85Å; N952-Q954 PolarHBondContact OD1-N 3.3Å; N952-Q955 PolarHBondContact OD1-N 2.87Å | ||
| 953 | E | 84.6 | Confident | 89.9 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -58.1 | -26.9 | 173 | 57.8 | -144.6 | -150.6 | 0 | 0 | 114.4 | G749 L752 K753 W978 | G749-E953 WeakPolarHBondContact CA-O 3.31Å; L752-E953 HydrophobicContact CB-CB 4Å; K753-E953 WeakPolarHBondContact CG-OE1 3.29Å; K753-E953 IonicContact NZ-OE1 2.62Å; K753-E953 PolarHBondContact NZ-OE1 3.15Å; E953-W978 PolarHBondContact O-NE1 2.92Å |
| 954 | Q | 86.9 | Confident | 89.7 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 27% | 0.271 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -111.2 | -14.7 | -163.4 | -49.4 | -164.2 | -15.3 | 0 | 0 | 117.8 | N952 W978 Q979 | N952-Q954 PolarHBondContact O-N 2.85Å; N952-Q954 PolarHBondContact OD1-N 3.3Å; Q954-W978 CarbonylContact O-C 3.55Å; Q954-W978 VanDerWaalsContact O-CD1 3.23Å; Q954-W978 PolarHBondContact O-N 3.45Å; Q954-W978 PolarHBondContact O-NE1 2.64Å; Q954-Q979 PolarHBondContact O-N 3.02Å |
| 955 | Q | 91.9 | Very high | 89.4 | Confident | 76 Ų | 76 | 40.4 Ų | 40.4 | 36% | 0.355 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 163.2 | -177.6 | 57.2 | 175.6 | -24.8 | 0 | 0 | 112.4 | G951 N952 | G951-Q955 WeakPolarHBondContact CA-O 3.46Å; N952-Q955 PolarHBondContact OD1-N 2.87Å |
| 956 | V | 92.7 | Very high | 88.8 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.1 | 160.8 | 77.1 | 0 | 0 | 0 | 0 | 111.3 | A949 L958 L976 W978 | A949-V956 HydrophobicContact CB-CG2 3.86Å; V956-L958 HydrophobicContact CG1-CD2 4.3Å; V956-L976 HydrophobicContact CG1-CB 3.9Å; V956-L976 HydrophobicContact CG1-CD1 4.12Å; V956-L976 PolarHBondContact N-O 2.8Å; V956-L976 PolarHBondContact O-N 2.89Å; V956-L976 VanDerWaalsContact O-N 3.11Å; V956-L976 VanDerWaalsContact O-O 3.1Å; V956-W978 HydrophobicContact CB-CH2 3.89Å; V956-W978 HydrophobicContact CB-CZ3 3.97Å; V956-W978 HydrophobicContact CG1-CH2 4.16Å; V956-W978 HydrophobicContact CG1-CZ3 3.77Å |
| 957 | N | 92.5 | Very high | 88.3 | Confident | 53 Ų | 53 | 43.8 Ų | 43.8 | 28% | 0.283 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 115.7 | 171.4 | 174.2 | 39.1 | 0 | 0 | 0 | 109.1 | A949 K950 D959 L975 | A949-N957 WeakPolarHBondContact CA-O 3.31Å; K950-N957 PolarHBondContact N-O 2.8Å; K950-N957 PolarHBondContact O-N 3.06Å; K950-N957 VanDerWaalsContact O-N 3.14Å; N957-D959 VanDerWaalsContact C-N 3.27Å; N957-D959 VanDerWaalsContact ND2-CG 3.32Å; N957-D959 PolarHBondContact ND2-OD1 2.62Å; N957-D959 PolarHBondContact O-N 2.75Å; N957-L975 HydrophobicContact CB-CD1 4.14Å |
| 958 | L | 88.5 | Confident | 87.9 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 75.7 | 173.2 | -51.4 | 176.3 | 0 | 0 | 0 | 108.4 | L947 V956 K960 A974 L976 | L947-L958 HydrophobicContact CD1-CD2 3.57Å; V956-L958 HydrophobicContact CG1-CD2 4.3Å; L958-K960 PolarHBondContact O-N 2.68Å; L958-K960 VanDerWaalsContact O-N 3.07Å; L958-A974 WeakPolarHBondContact CA-O 3.36Å; L958-A974 VanDerWaalsContact CB-O 3.27Å; L958-A974 WeakPolarHBondContact CB-O 3.22Å; L958-A974 HydrophobicContact CD1-CB 4.32Å; L958-A974 PolarHBondContact N-O 2.74Å; L958-A974 VanDerWaalsContact N-O 3.07Å; L958-L976 HydrophobicContact CD1-CD1 3.78Å; L958-L976 HydrophobicContact CG-CD1 4.26Å |
| 959 | D | 85.9 | Confident | 87.8 | Confident | 66 Ų | 66 | 42.8 Ų | 42.8 | 35% | 0.353 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -46.9 | -40.2 | 178 | -88.3 | -39.3 | 0 | 0 | 0 | 111 | D948 K950 N957 | D948-D959 PolarHBondContact O-N 2.82Å; K950-D959 IonicContact NZ-OD2 3.42Å; K950-D959 PolarHBondContact NZ-OD2 2.88Å; N957-D959 VanDerWaalsContact C-N 3.27Å; N957-D959 VanDerWaalsContact ND2-CG 3.32Å; N957-D959 PolarHBondContact ND2-OD1 2.62Å; N957-D959 PolarHBondContact O-N 2.75Å |
| 960 | K | 87.7 | Confident | 87.6 | Confident | 63 Ų | 63 | 43.6 Ų | 43.6 | 27% | 0.274 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 121.2 | 165.1 | -174.5 | 161.3 | 177.3 | 143.9 | 0 | 111.8 | L947 D948 L958 T962 E971 | L947-K960 WeakPolarHBondContact CA-O 3.5Å; D948-K960 PolarHBondContact N-O 3.23Å; D948-K960 PolarHBondContact O-N 2.96Å; L958-K960 PolarHBondContact O-N 2.68Å; L958-K960 VanDerWaalsContact O-N 3.07Å; K960-T962 WeakPolarHBondContact CE-OG1 3.37Å; K960-E971 VanDerWaalsContact CE-CD 3.42Å; K960-E971 WeakPolarHBondContact CE-OE1 3.38Å; K960-E971 VanDerWaalsContact CE-OE2 3.29Å; K960-E971 WeakPolarHBondContact CE-OE2 3.46Å; K960-E971 IonicContact NZ-OE1 2.72Å; K960-E971 PolarHBondContact NZ-OE1 3.08Å; K960-E971 IonicContact NZ-OE2 2.65Å; K960-E971 PolarHBondContact NZ-OE2 2.8Å |
| 961 | L | 90.8 | Very high | 87.5 | Confident | 39 Ų | 39 | 40 Ų | 40 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.6 | 154.5 | -178.1 | 65 | 0 | 0 | 0 | 108.8 | I945 T946 L947 V963 E971 L972 | I945-L961 HydrophobicContact CG2-CD1 3.8Å; T946-L961 CarbonylContact O-C 3.58Å; T946-L961 WeakPolarHBondContact O-CA 3.46Å; L947-L961 HydrophobicContact CB-CD1 4.11Å; L947-L961 HydrophobicContact CD1-CD1 4.44Å; L961-V963 HydrophobicContact CD1-CG2 4.48Å; L961-V963 HydrophobicContact CD2-CG2 4.5Å; L961-V963 HydrophobicContact CG-CG2 4.29Å; L961-E971 WeakPolarHBondContact O-CA 3.35Å; L961-L972 CarbonylContact C-O 3.3Å; L961-L972 WeakPolarHBondContact CA-O 3.26Å; L961-L972 HydrophobicContact CB-CB 4.28Å; L961-L972 HydrophobicContact CD2-CB 4.46Å; L961-L972 HydrophobicContact CD2-CD2 4.13Å; L961-L972 PolarHBondContact N-O 3.41Å; L961-L972 PolarHBondContact O-N 3.45Å |
| 962 | T | 89.5 | Confident | 87.5 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137.1 | 171.9 | -70.2 | 0 | 0 | 0 | 0 | 107.7 | I945 T946 K960 K969 T970 | I945-T962 CarbonylContact C-O 3.45Å; I945-T962 WeakPolarHBondContact CA-O 3.2Å; T946-T962 PolarHBondContact N-O 2.74Å; T946-T962 PolarHBondContact O-N 2.85Å; T946-T962 WeakPolarHBondContact OG1-CB 3.46Å; K960-T962 WeakPolarHBondContact CE-OG1 3.37Å; T962-K969 HydrophobicContact CG2-CD 4.21Å; T962-K969 HydrophobicContact CG2-CG 3.9Å; T962-T970 CarbonylContact C-O 3.42Å; T962-T970 WeakPolarHBondContact CA-O 2.74Å |
| 963 | V | 87.1 | Confident | 87.5 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 96.2 | 173.7 | -175.3 | 0 | 0 | 0 | 0 | 107.2 | A943 T944 I945 L961 A965 T970 | A943-V963 HydrophobicContact CB-CG1 3.7Å; T944-V963 WeakPolarHBondContact O-CA 3.42Å; I945-V963 HydrophobicContact CG1-CG1 4.38Å; I945-V963 HydrophobicContact CG1-CG2 4.33Å; L961-V963 HydrophobicContact CD1-CG2 4.48Å; L961-V963 HydrophobicContact CD2-CG2 4.5Å; L961-V963 HydrophobicContact CG-CG2 4.29Å; V963-A965 HydrophobicContact CG1-CB 4.27Å; V963-A965 PolarHBondContact O-N 3.37Å; V963-T970 PolarHBondContact N-O 2.82Å; V963-T970 PolarHBondContact O-N 2.84Å; V963-T970 PolarHBondContact O-OG1 2.79Å |
| 964 | A | 84 | Confident | 87.9 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 25% | 0.248 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 57.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A943 T944 G968 K969 | A943-A964 WeakPolarHBondContact CA-O 3.48Å; T944-A964 PolarHBondContact N-O 3.38Å; T944-A964 PolarHBondContact O-N 2.92Å; A964-G968 CarbonylContact C-O 3.56Å; A964-G968 WeakPolarHBondContact CA-O 3.19Å; A964-K969 HydrophobicContact CB-CG 4.46Å |
| 965 | A | 81.7 | Confident | 88 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 147 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P941 P942 A943 V963 E967 G968 | P941-A965 HydrophobicContact CG-CB 4.03Å; P942-A965 WeakPolarHBondContact O-CA 3.24Å; A943-A965 VanDerWaalsContact CB-CA 3.5Å; A943-A965 HydrophobicContact CB-CB 3.6Å; V963-A965 HydrophobicContact CG1-CB 4.27Å; V963-A965 PolarHBondContact O-N 3.37Å; A965-E967 PolarHBondContact O-N 3.36Å; A965-G968 PolarHBondContact N-O 2.8Å; A965-G968 CarbonylContact O-C 3.16Å; A965-G968 VanDerWaalsContact O-C 3.25Å; A965-G968 WeakPolarHBondContact O-CA 3.33Å; A965-G968 PolarHBondContact O-N 3.18Å |
| 966 | L | 80.3 | Confident | 87.9 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 54.4 | 158.6 | -65.6 | 173.7 | 0 | 0 | 0 | 113.4 | P941 P942 G968 I993 N994 T995 E998 | P941-L966 HydrophobicContact CB-CD1 4.05Å; P941-L966 HydrophobicContact CB-CD2 3.2Å; P941-L966 HydrophobicContact CB-CG 3.37Å; P941-L966 HydrophobicContact CG-CD1 3.96Å; P941-L966 HydrophobicContact CG-CD2 4.06Å; P941-L966 HydrophobicContact CG-CG 3.72Å; P942-L966 PolarHBondContact O-N 2.82Å; L966-G968 PolarHBondContact O-N 2.79Å; L966-I993 HydrophobicContact CB-CG2 4.17Å; L966-I993 HydrophobicContact CD1-CG2 3.6Å; L966-I993 HydrophobicContact CG-CG2 4.49Å; L966-N994 WeakPolarHBondContact CB-O 3.24Å; L966-N994 WeakPolarHBondContact CD2-O 3.27Å; L966-N994 WeakPolarHBondContact O-CA 3.47Å; L966-N994 WeakPolarHBondContact O-CB 3.4Å; L966-N994 PolarHBondContact O-N 3.25Å; L966-T995 HydrophobicContact CD1-CG2 3.61Å; L966-E998 HydrophobicContact CD2-CG 3.87Å |
| 967 | E | 80.7 | Confident | 87.6 | Confident | 112 Ų | 112 | 46.5 Ų | 46.5 | 52% | 0.523 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 5.2 | -173.7 | -56.7 | 179.7 | -177.7 | 0 | 0 | 115.7 | A965 N994 K997 K1005 | A965-E967 PolarHBondContact O-N 3.36Å; E967-N994 HydrophobicContact CB-CB 3.99Å; E967-N994 HydrophobicContact CG-CB 4.24Å; E967-N994 PolarHBondContact OE1-ND2 2.93Å; E967-N994 PolarHBondContact OE2-ND2 2.73Å; E967-K997 WeakPolarHBondContact OE1-CE 3.48Å; E967-K997 IonicContact OE1-NZ 2.76Å; E967-K997 PolarHBondContact OE1-NZ 2.89Å; E967-K1005 WeakPolarHBondContact OE2-CE 3.41Å; E967-K1005 IonicContact OE2-NZ 3.78Å; E967-K1005 PolarHBondContact OE2-NZ 2.8Å |
| 968 | G | 85.6 | Confident | 87.4 | Confident | 11 Ų | 11 | 46.6 Ų | 46.6 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -129.8 | -161.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | A964 A965 L966 N991 | A964-G968 CarbonylContact C-O 3.56Å; A964-G968 WeakPolarHBondContact CA-O 3.19Å; A965-G968 PolarHBondContact N-O 2.8Å; A965-G968 CarbonylContact O-C 3.16Å; A965-G968 VanDerWaalsContact O-C 3.25Å; A965-G968 WeakPolarHBondContact O-CA 3.33Å; A965-G968 PolarHBondContact O-N 3.18Å; L966-G968 PolarHBondContact O-N 2.79Å; G968-N991 CarbonylContact C-O 3.57Å; G968-N991 VanDerWaalsContact C-O 3.3Å; G968-N991 WeakPolarHBondContact CA-O 3.34Å |
| 969 | K | 86.5 | Confident | 86.9 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 124.3 | -174.1 | -162.9 | -176.5 | -164.3 | -172.5 | 0 | 111 | T962 A964 E971 L990 N991 | T962-K969 HydrophobicContact CG2-CD 4.21Å; T962-K969 HydrophobicContact CG2-CG 3.9Å; A964-K969 HydrophobicContact CB-CG 4.46Å; K969-E971 HydrophobicContact CD-CG 4.13Å; K969-E971 WeakPolarHBondContact CE-OE1 3.17Å; K969-E971 HydrophobicContact CG-CG 4.29Å; K969-E971 IonicContact NZ-OE1 2.89Å; K969-E971 PolarHBondContact NZ-OE1 2.91Å; K969-L990 CarbonylContact O-C 3.5Å; K969-N991 PolarHBondContact N-O 2.83Å; K969-N991 PolarHBondContact O-N 2.8Å |
| 970 | T | 89 | Confident | 86.1 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 141.7 | 154 | 72.2 | 0 | 0 | 0 | 0 | 109.5 | T962 V963 L988 T989 L990 I993 | T962-T970 CarbonylContact C-O 3.42Å; T962-T970 WeakPolarHBondContact CA-O 2.74Å; V963-T970 PolarHBondContact N-O 2.82Å; V963-T970 PolarHBondContact O-N 2.84Å; V963-T970 PolarHBondContact O-OG1 2.79Å; T970-L988 HydrophobicContact CG2-CD1 4.25Å; T970-T989 WeakPolarHBondContact CA-O 3.39Å; T970-T989 WeakPolarHBondContact CB-O 3.27Å; T970-T989 WeakPolarHBondContact CG2-O 3.31Å; T970-L990 HydrophobicContact CG2-CG 4.1Å; T970-I993 HydrophobicContact CG2-CD1 3.82Å; T970-I993 HydrophobicContact CG2-CG1 4.39Å |
| 971 | E | 89.7 | Confident | 85.2 | Confident | 45 Ų | 45 | 53.2 Ų | 53.2 | 21% | 0.21 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.8 | 161.9 | -52.1 | -166 | 166.5 | 0 | 0 | 107.6 | K960 L961 K969 E987 T989 | K960-E971 VanDerWaalsContact CE-CD 3.42Å; K960-E971 WeakPolarHBondContact CE-OE1 3.38Å; K960-E971 VanDerWaalsContact CE-OE2 3.29Å; K960-E971 WeakPolarHBondContact CE-OE2 3.46Å; K960-E971 IonicContact NZ-OE1 2.72Å; K960-E971 PolarHBondContact NZ-OE1 3.08Å; K960-E971 IonicContact NZ-OE2 2.65Å; K960-E971 PolarHBondContact NZ-OE2 2.8Å; L961-E971 WeakPolarHBondContact O-CA 3.35Å; K969-E971 HydrophobicContact CD-CG 4.13Å; K969-E971 WeakPolarHBondContact CE-OE1 3.17Å; K969-E971 HydrophobicContact CG-CG 4.29Å; K969-E971 IonicContact NZ-OE1 2.89Å; K969-E971 PolarHBondContact NZ-OE1 2.91Å; E971-E987 VanDerWaalsContact O-O 3.14Å; E971-T989 WeakPolarHBondContact CB-OG1 3.2Å; E971-T989 PolarHBondContact N-OG1 2.88Å; E971-T989 PolarHBondContact O-N 3.02Å; E971-T989 VanDerWaalsContact O-N 3.09Å; E971-T989 PolarHBondContact O-OG1 2.86Å; E971-T989 VanDerWaalsContact O-OG1 3.12Å |
| 972 | L | 92.9 | Very high | 84.9 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.5 | 168.4 | 175.5 | 66.4 | 0 | 0 | 0 | 108.3 | L961 A974 E987 | L961-L972 CarbonylContact C-O 3.3Å; L961-L972 WeakPolarHBondContact CA-O 3.26Å; L961-L972 HydrophobicContact CB-CB 4.28Å; L961-L972 HydrophobicContact CD2-CB 4.46Å; L961-L972 HydrophobicContact CD2-CD2 4.13Å; L961-L972 PolarHBondContact N-O 3.41Å; L961-L972 PolarHBondContact O-N 3.45Å; L972-A974 HydrophobicContact CD1-CB 4.42Å; L972-A974 HydrophobicContact CG-CB 4.35Å; L972-E987 WeakPolarHBondContact CA-O 3.48Å |
| 973 | K | 89.9 | Confident | 84.9 | Confident | 120 Ų | 120 | 58.1 Ų | 58.1 | 52% | 0.522 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131.8 | 160.3 | -66.4 | 177.3 | -178.2 | 172.8 | 0 | 107.8 | ||
| 974 | A | 91.8 | Very high | 85.1 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 12% | 0.116 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 147.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L958 L972 R985 | L958-A974 WeakPolarHBondContact CA-O 3.36Å; L958-A974 VanDerWaalsContact CB-O 3.27Å; L958-A974 WeakPolarHBondContact CB-O 3.22Å; L958-A974 HydrophobicContact CD1-CB 4.32Å; L958-A974 PolarHBondContact N-O 2.74Å; L958-A974 VanDerWaalsContact N-O 3.07Å; L972-A974 HydrophobicContact CD1-CB 4.42Å; L972-A974 HydrophobicContact CG-CB 4.35Å; A974-R985 WeakPolarHBondContact CA-O 3.36Å |
| 975 | L | 89.2 | Confident | 85.5 | Confident | 78 Ų | 78 | 69.1 Ų | 69.1 | 41% | 0.408 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135 | 162.4 | 179.7 | 61.3 | 0 | 0 | 0 | 107.6 | N957 | N957-L975 HydrophobicContact CB-CD1 4.14Å |
| 976 | L | 90.6 | Very high | 85.9 | Confident | 63 Ų | 63 | 69 Ų | 69 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 102.4 | 171.6 | -75.4 | 167 | 0 | 0 | 0 | 108.1 | V956 L958 | V956-L976 HydrophobicContact CG1-CB 3.9Å; V956-L976 HydrophobicContact CG1-CD1 4.12Å; V956-L976 PolarHBondContact N-O 2.8Å; V956-L976 PolarHBondContact O-N 2.89Å; V956-L976 VanDerWaalsContact O-N 3.11Å; V956-L976 VanDerWaalsContact O-O 3.1Å; L958-L976 HydrophobicContact CD1-CD1 3.78Å; L958-L976 HydrophobicContact CG-CD1 4.26Å |
| 977 | D | 85.1 | Confident | 86.4 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 22% | 0.219 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.9 | 178.6 | -170.3 | -54.7 | 0 | 0 | 0 | 109.3 | Q979 A981 | D977-Q979 WeakPolarHBondContact OD1-CB 2.98Å; D977-Q979 PolarHBondContact OD1-N 3.38Å; D977-A981 VanDerWaalsContact O-O 3.07Å |
| 978 | W | 87.9 | Confident | 86.9 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 21% | 0.208 | 34% | 0.336 | C | S | . | . | trans | -131.6 | 24.4 | 168.4 | 62.9 | 79.6 | 0 | 0 | 0 | 112.4 | L748 E953 Q954 V956 | L748-W978 HydrophobicContact CB-CG 4.48Å; L748-W978 HydrophobicContact CD2-CD2 4.37Å; L748-W978 HydrophobicContact CD2-CG 4.33Å; E953-W978 PolarHBondContact O-NE1 2.92Å; Q954-W978 CarbonylContact O-C 3.55Å; Q954-W978 VanDerWaalsContact O-CD1 3.23Å; Q954-W978 PolarHBondContact O-N 3.45Å; Q954-W978 PolarHBondContact O-NE1 2.64Å; V956-W978 HydrophobicContact CB-CH2 3.89Å; V956-W978 HydrophobicContact CB-CZ3 3.97Å; V956-W978 HydrophobicContact CG1-CH2 4.16Å; V956-W978 HydrophobicContact CG1-CZ3 3.77Å | ||
| 979 | Q | 78.1 | Confident | 87.2 | Confident | 103 Ų | 103 | 71.1 Ų | 71.1 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -74.3 | -30.5 | 173.7 | -174.5 | 176.1 | 80.3 | 0 | 0 | 111.6 | Q954 D977 | Q954-Q979 PolarHBondContact O-N 3.02Å; D977-Q979 WeakPolarHBondContact OD1-CB 2.98Å; D977-Q979 PolarHBondContact OD1-N 3.38Å |
| 980 | Q | 69.1 | Low | 87.2 | Confident | 160 Ų | 160 | 68.7 Ų | 68.7 | 75% | 0.748 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -138.9 | -36.8 | 174.3 | -65.2 | -172 | -2.5 | 0 | 0 | 114.5 | ||
| 981 | A | 70.7 | Confident | 87 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 24% | 0.24 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -161.7 | 140.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D977 S983 Y1017 | D977-A981 VanDerWaalsContact O-O 3.07Å; A981-S983 PolarHBondContact O-N 3.24Å; A981-Y1017 HydrophobicContact CB-CD2 3.57Å; A981-Y1017 HydrophobicContact CB-CE2 4.17Å |
| 982 | I | 84.4 | Confident | 86.7 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | trans | -67.8 | 96.4 | 175.1 | -56.3 | 178 | 0 | 0 | 0 | 109.3 | L1016 | I982-L1016 PolarHBondContact O-N 3.11Š| ||
| 983 | S | 88.8 | Confident | 86.2 | Confident | 48 Ų | 48 | 70 Ų | 70 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 145.9 | 177.7 | 66.5 | 0 | 0 | 0 | 0 | 110.3 | A981 | A981-S983 PolarHBondContact O-N 3.24Å |
| 984 | W | 91.1 | Very high | 85.7 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 151.6 | 179.8 | 77 | 96.2 | 0 | 0 | 0 | 112.3 | G1014 L1016 | W984-G1014 VanDerWaalsContact O-O 3.04Å; W984-L1016 HydrophobicContact CZ3-CB 4.06Å |
| 985 | R | 92.4 | Very high | 85 | Confident | 198 Ų | 198 | 65.5 Ų | 65.5 | 75% | 0.747 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 105.8 | 172 | -173.8 | 174.8 | -61.5 | 152.1 | 7.5 | 107.2 | A974 | A974-R985 WeakPolarHBondContact CA-O 3.36Å |
| 986 | G | 89.1 | Confident | 83.9 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1012 | G986-T1012 PolarHBondContact N-O 2.89Å; G986-T1012 VanDerWaalsContact N-O 3.12Å; G986-T1012 PolarHBondContact O-N 3.48Å; G986-T1012 PolarHBondContact O-OG1 3.35Å |
| 987 | E | 92.9 | Very high | 82.8 | Confident | 88 Ų | 88 | 66.6 Ų | 66.6 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 113.8 | 159.9 | -175.6 | 166.9 | 94.7 | 0 | 0 | 108.1 | E971 L972 L1009 K1011 | E971-E987 VanDerWaalsContact O-O 3.14Å; L972-E987 WeakPolarHBondContact CA-O 3.48Å; E987-L1009 HydrophobicContact CG-CD1 3.92Å; E987-K1011 HydrophobicContact CG-CG 4.1Å; E987-K1011 WeakPolarHBondContact OE2-CE 3.48Å; E987-K1011 IonicContact OE2-NZ 2.99Å |
| 988 | L | 90.9 | Very high | 82 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 103.1 | 175.6 | -178.9 | 68.2 | 0 | 0 | 0 | 109 | T970 L990 L1009 I1010 | T970-L988 HydrophobicContact CG2-CD1 4.25Å; L988-L990 HydrophobicContact CD2-CD1 4.28Å; L988-L990 HydrophobicContact CG-CD1 4.09Å; L988-L1009 WeakPolarHBondContact O-CD1 3.46Å; L988-I1010 WeakPolarHBondContact CA-O 3.36Å; L988-I1010 HydrophobicContact CB-CB 4.46Å; L988-I1010 WeakPolarHBondContact CB-O 3.09Å; L988-I1010 PolarHBondContact N-O 2.67Å; L988-I1010 PolarHBondContact O-N 2.64Å; L988-I1010 VanDerWaalsContact O-O 3.12Å |
| 989 | T | 90.3 | Very high | 80.9 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 26% | 0.264 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 150.2 | 166.7 | 52.8 | 0 | 0 | 0 | 0 | 110.1 | T970 E971 L1009 | T970-T989 WeakPolarHBondContact CA-O 3.39Å; T970-T989 WeakPolarHBondContact CB-O 3.27Å; T970-T989 WeakPolarHBondContact CG2-O 3.31Å; E971-T989 WeakPolarHBondContact CB-OG1 3.2Å; E971-T989 PolarHBondContact N-OG1 2.88Å; E971-T989 PolarHBondContact O-N 3.02Å; E971-T989 VanDerWaalsContact O-N 3.09Å; E971-T989 PolarHBondContact O-OG1 2.86Å; E971-T989 VanDerWaalsContact O-OG1 3.12Å; T989-L1009 HydrophobicContact CG2-CD1 3.98Å |
| 990 | L | 87.7 | Confident | 80.4 | Confident | 26 Ų | 26 | 69 Ų | 69 | 14% | 0.136 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 120.6 | 171.9 | -60.1 | 91 | 0 | 0 | 0 | 109 | K969 T970 L988 I993 N1007 G1008 I1010 L1030 | K969-L990 CarbonylContact O-C 3.5Å; T970-L990 HydrophobicContact CG2-CG 4.1Å; L988-L990 HydrophobicContact CD2-CD1 4.28Å; L988-L990 HydrophobicContact CG-CD1 4.09Å; L990-I993 HydrophobicContact CB-CG1 4.01Å; L990-I993 HydrophobicContact CD2-CG1 4.36Å; L990-N1007 CarbonylContact O-C 3.35Å; L990-G1008 CarbonylContact C-O 3.5Å; L990-G1008 PolarHBondContact N-O 2.95Å; L990-G1008 PolarHBondContact O-N 2.68Å; L990-I1010 HydrophobicContact CD1-CB 4.39Å; L990-I1010 HydrophobicContact CD1-CD1 3.95Å; L990-I1010 HydrophobicContact CD1-CG1 3.84Å; L990-L1030 HydrophobicContact CD2-CD2 4.26Å |
| 991 | N | 83.6 | Confident | 80.1 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 57% | 0.572 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 95.9 | -173.6 | -174.2 | 2.6 | 0 | 0 | 0 | 110.4 | G968 K969 | G968-N991 CarbonylContact C-O 3.57Å; G968-N991 VanDerWaalsContact C-O 3.3Å; G968-N991 WeakPolarHBondContact CA-O 3.34Å; K969-N991 PolarHBondContact N-O 2.83Å; K969-N991 PolarHBondContact O-N 2.8Å |
| 992 | G | 84.3 | Confident | 80 | Confident | 17 Ų | 17 | 70.3 Ų | 70.3 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.4 | 8.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | N994 L1006 N1007 | G992-N994 PolarHBondContact O-N 2.75Å; G992-L1006 PolarHBondContact N-O 2.73Å; G992-N1007 VanDerWaalsContact CA-OD1 3.32Å; G992-N1007 WeakPolarHBondContact CA-OD1 3.38Å; G992-N1007 PolarHBondContact N-OD1 3.09Å |
| 993 | I | 81.5 | Confident | 79.6 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 9% | 0.087 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 92.7 | -167.2 | -52.6 | -57.4 | 0 | 0 | 0 | 112.7 | L966 T970 L990 K1005 L1006 | L966-I993 HydrophobicContact CB-CG2 4.17Å; L966-I993 HydrophobicContact CD1-CG2 3.6Å; L966-I993 HydrophobicContact CG-CG2 4.49Å; T970-I993 HydrophobicContact CG2-CD1 3.82Å; T970-I993 HydrophobicContact CG2-CG1 4.39Å; L990-I993 HydrophobicContact CB-CG1 4.01Å; L990-I993 HydrophobicContact CD2-CG1 4.36Å; I993-K1005 CarbonylContact O-C 3.49Å; I993-K1005 WeakPolarHBondContact O-CA 3.38Å; I993-L1006 HydrophobicContact CB-CB 4.39Å; I993-L1006 WeakPolarHBondContact CB-O 3.38Å; I993-L1006 PolarHBondContact N-O 2.93Å; I993-L1006 PolarHBondContact O-N 3.32Å |
| 994 | N | 81.1 | Confident | 79.2 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | trans | -93.1 | 78.5 | -177.1 | -173.5 | 24.8 | 0 | 0 | 0 | 114.1 | L966 E967 G992 A996 S1004 K1005 | L966-N994 WeakPolarHBondContact CB-O 3.24Å; L966-N994 WeakPolarHBondContact CD2-O 3.27Å; L966-N994 WeakPolarHBondContact O-CA 3.47Å; L966-N994 WeakPolarHBondContact O-CB 3.4Å; L966-N994 PolarHBondContact O-N 3.25Å; E967-N994 HydrophobicContact CB-CB 3.99Å; E967-N994 HydrophobicContact CG-CB 4.24Å; E967-N994 PolarHBondContact OE1-ND2 2.93Å; E967-N994 PolarHBondContact OE2-ND2 2.73Å; G992-N994 PolarHBondContact O-N 2.75Å; N994-A996 PolarHBondContact O-N 2.85Å; N994-A996 WeakPolarHBondContact OD1-CB 3.27Å; N994-A996 PolarHBondContact OD1-N 3.01Å; N994-S1004 CarbonylContact C-O 3.23Å; N994-S1004 WeakPolarHBondContact CA-O 3.44Å; N994-S1004 PolarHBondContact OD1-O 2.89Å; N994-K1005 HydrophobicContact CB-CD 4.25Å; N994-K1005 HydrophobicContact CB-CG 3.74Å; N994-K1005 WeakPolarHBondContact ND2-CE 3.32Å; N994-K1005 WeakPolarHBondContact OD1-CG 3.46Å | ||
| 995 | T | 76.3 | Confident | 78.9 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 17% | 0.166 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 3.5 | 176 | 74.2 | 0 | 0 | 0 | 0 | 114.7 | L966 K997 E998 I999 S1004 | L966-T995 HydrophobicContact CD1-CG2 3.61Å; T995-K997 PolarHBondContact O-N 2.88Å; T995-E998 PolarHBondContact O-N 3.32Å; T995-I999 PolarHBondContact O-N 2.77Å; T995-I999 VanDerWaalsContact O-N 3.14Å; T995-S1004 WeakPolarHBondContact CB-OG 3.29Å; T995-S1004 VanDerWaalsContact CG2-OG 3.29Å; T995-S1004 WeakPolarHBondContact CG2-OG 3.3Å; T995-S1004 PolarHBondContact N-O 3.3Å; T995-S1004 WeakPolarHBondContact OG1-CA 3.32Å; T995-S1004 VanDerWaalsContact OG1-CB 3.28Å; T995-S1004 WeakPolarHBondContact OG1-CB 3.27Å; T995-S1004 PolarHBondContact OG1-N 2.95Å; T995-S1004 PolarHBondContact OG1-OG 3.35Å |
| 996 | A | 67 | Low | 78.7 | Confident | 36 Ų | 36 | 56.1 Ų | 56.1 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -4.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | N994 P1003 S1004 | N994-A996 PolarHBondContact O-N 2.85Å; N994-A996 WeakPolarHBondContact OD1-CB 3.27Å; N994-A996 PolarHBondContact OD1-N 3.01Å; A996-P1003 HydrophobicContact CB-CB 3.35Å; A996-S1004 PolarHBondContact N-O 2.54Å |
| 997 | K | 65.8 | Low | 78.6 | Confident | 128 Ų | 128 | 58.4 Ų | 58.4 | 56% | 0.557 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -44.6 | 175.3 | -69.3 | 170.8 | -171.7 | 160.5 | 0 | 111.5 | E967 T995 | E967-K997 WeakPolarHBondContact OE1-CE 3.48Å; E967-K997 IonicContact OE1-NZ 2.76Å; E967-K997 PolarHBondContact OE1-NZ 2.89Å; T995-K997 PolarHBondContact O-N 2.88Å |
| 998 | E | 68.3 | Low | 78.5 | Confident | 77 Ų | 77 | 55.1 Ų | 55.1 | 36% | 0.36 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -33.7 | -176.3 | -45.5 | -37.9 | 120.7 | 0 | 0 | 113.8 | P941 P942 L966 T995 P1000 | P941-E998 HydrophobicContact CB-CG 3.68Å; P942-E998 VanDerWaalsContact CD-CD 3.5Å; P942-E998 WeakPolarHBondContact CD-OE1 3.28Å; L966-E998 HydrophobicContact CD2-CG 3.87Å; T995-E998 PolarHBondContact O-N 3.32Å; E998-P1000 WeakPolarHBondContact O-CD 3.4Å |
| 999 | I | 66.2 | Low | 78.4 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 43% | 0.431 | 29% | 0.286 | S | S | . | . | trans | -114.8 | 69.5 | 176.6 | -44.1 | -179.9 | 0 | 0 | 0 | 108.1 | T995 E1001 W1002 P1003 | T995-I999 PolarHBondContact O-N 2.77Å; T995-I999 VanDerWaalsContact O-N 3.14Å; I999-E1001 PolarHBondContact O-N 2.77Å; I999-E1001 VanDerWaalsContact O-N 3.17Å; I999-W1002 HydrophobicContact CG2-CB 3.75Å; I999-W1002 CarbonylContact O-C 3.56Å; I999-W1002 WeakPolarHBondContact O-CA 3.39Å; I999-W1002 PolarHBondContact O-N 2.95Å; I999-P1003 WeakPolarHBondContact O-CA 3.49Å; I999-P1003 WeakPolarHBondContact O-CD 3.13Å | ||
| 1000 | P | 67.3 | Low | 78.6 | Confident | 90 Ų | 90 | 53.9 Ų | 53.9 | 58% | 0.584 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -16.9 | -175.4 | 29.2 | -36.3 | 0 | 0 | 0 | 113.2 | E998 P1003 | E998-P1000 WeakPolarHBondContact O-CD 3.4Å; P1000-P1003 VanDerWaalsContact O-CD 3.32Å; P1000-P1003 WeakPolarHBondContact O-CD 3.35Å |
| 1001 | E | 61.9 | Low | 78.8 | Confident | 114 Ų | 114 | 55.8 Ų | 55.8 | 53% | 0.533 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -21.2 | 169.5 | -64.4 | -148 | -117.3 | 0 | 0 | 113.7 | I999 K1035 P1094 | I999-E1001 PolarHBondContact O-N 2.77Å; I999-E1001 VanDerWaalsContact O-N 3.17Å; E1001-K1035 WeakPolarHBondContact O-CE 3.4Å; E1001-K1035 PolarHBondContact O-NZ 2.88Å; E1001-P1094 HydrophobicContact CB-CB 4.36Å; E1001-P1094 HydrophobicContact CB-CG 3.97Å |
| 1002 | W | 69.3 | Low | 79.2 | Confident | 102 Ų | 102 | 52.8 Ų | 52.8 | 39% | 0.386 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -143.3 | 54.2 | 176.5 | -143.1 | 52.8 | 0 | 0 | 0 | 112.7 | I999 V1034 L1062 A1092 | I999-W1002 HydrophobicContact CG2-CB 3.75Å; I999-W1002 CarbonylContact O-C 3.56Å; I999-W1002 WeakPolarHBondContact O-CA 3.39Å; I999-W1002 PolarHBondContact O-N 2.95Å; W1002-V1034 HydrophobicContact CD2-CG1 4.4Å; W1002-V1034 HydrophobicContact CG-CG1 4.11Å; W1002-L1062 HydrophobicContact CZ2-CD2 4.13Å; W1002-A1092 PolarHBondContact NE1-O 2.83Å |
| 1003 | P | 76.6 | Confident | 79.3 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | trans | -67.7 | 134.1 | -169.6 | 25.1 | -36.5 | 0 | 0 | 0 | 110.3 | A996 I999 P1000 V1034 K1035 | A996-P1003 HydrophobicContact CB-CB 3.35Å; I999-P1003 WeakPolarHBondContact O-CA 3.49Å; I999-P1003 WeakPolarHBondContact O-CD 3.13Å; P1000-P1003 VanDerWaalsContact O-CD 3.32Å; P1000-P1003 WeakPolarHBondContact O-CD 3.35Å; P1003-V1034 CarbonylContact O-C 3.55Å; P1003-V1034 VanDerWaalsContact O-C 3.23Å; P1003-V1034 WeakPolarHBondContact O-CA 3.44Å; P1003-K1035 VanDerWaalsContact CD-CG 3.43Å; P1003-K1035 HydrophobicContact CG-CB 4.2Å; P1003-K1035 HydrophobicContact CG-CD 4.37Å; P1003-K1035 HydrophobicContact CG-CG 3.28Å; P1003-K1035 PolarHBondContact O-N 3.37Å | ||
| 1004 | S | 80 | Confident | 79.8 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 162.6 | -179.4 | 80.2 | 0 | 0 | 0 | 0 | 113.9 | N994 T995 A996 N1033 V1034 | N994-S1004 CarbonylContact C-O 3.23Å; N994-S1004 WeakPolarHBondContact CA-O 3.44Å; N994-S1004 PolarHBondContact OD1-O 2.89Å; T995-S1004 WeakPolarHBondContact CB-OG 3.29Å; T995-S1004 VanDerWaalsContact CG2-OG 3.29Å; T995-S1004 WeakPolarHBondContact CG2-OG 3.3Å; T995-S1004 PolarHBondContact N-O 3.3Å; T995-S1004 WeakPolarHBondContact OG1-CA 3.32Å; T995-S1004 VanDerWaalsContact OG1-CB 3.28Å; T995-S1004 WeakPolarHBondContact OG1-CB 3.27Å; T995-S1004 PolarHBondContact OG1-N 2.95Å; T995-S1004 PolarHBondContact OG1-OG 3.35Å; A996-S1004 PolarHBondContact N-O 2.54Å; S1004-N1033 CarbonylContact C-O 3.58Å; S1004-N1033 WeakPolarHBondContact CA-O 3.24Å; S1004-N1033 VanDerWaalsContact CB-O 3.29Å; S1004-N1033 WeakPolarHBondContact CB-O 3.36Å; S1004-V1034 VanDerWaalsContact CB-CG2 3.44Å |
| 1005 | K | 84.1 | Confident | 79.9 | Confident | 84 Ų | 84 | 60.3 Ų | 60.3 | 37% | 0.365 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 129.5 | 158.7 | -79.6 | -155.3 | 172.3 | -147 | 0 | 108.5 | E967 I993 N994 G1032 N1033 | E967-K1005 WeakPolarHBondContact OE2-CE 3.41Å; E967-K1005 IonicContact OE2-NZ 3.78Å; E967-K1005 PolarHBondContact OE2-NZ 2.8Å; I993-K1005 CarbonylContact O-C 3.49Å; I993-K1005 WeakPolarHBondContact O-CA 3.38Å; N994-K1005 HydrophobicContact CB-CD 4.25Å; N994-K1005 HydrophobicContact CB-CG 3.74Å; N994-K1005 WeakPolarHBondContact ND2-CE 3.32Å; N994-K1005 WeakPolarHBondContact OD1-CG 3.46Å; K1005-G1032 CarbonylContact O-C 3.49Å; K1005-G1032 WeakPolarHBondContact O-CA 3.39Å; K1005-N1033 PolarHBondContact N-O 3.14Å; K1005-N1033 PolarHBondContact O-N 2.85Å |
| 1006 | L | 88.1 | Confident | 80 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 20% | 0.199 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 134.7 | -174.6 | -61 | 172.9 | 0 | 0 | 0 | 112.4 | G992 I993 T1031 V1039 | G992-L1006 PolarHBondContact N-O 2.73Å; I993-L1006 HydrophobicContact CB-CB 4.39Å; I993-L1006 WeakPolarHBondContact CB-O 3.38Å; I993-L1006 PolarHBondContact N-O 2.93Å; I993-L1006 PolarHBondContact O-N 3.32Å; L1006-T1031 CarbonylContact C-O 3.49Å; L1006-V1039 HydrophobicContact CD2-CG1 3.94Å |
| 1007 | N | 88.1 | Confident | 79.8 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.3 | 175.1 | -53.1 | -95 | 0 | 0 | 0 | 109.1 | L990 G992 L1030 T1031 | L990-N1007 CarbonylContact O-C 3.35Å; G992-N1007 VanDerWaalsContact CA-OD1 3.32Å; G992-N1007 WeakPolarHBondContact CA-OD1 3.38Å; G992-N1007 PolarHBondContact N-OD1 3.09Å; N1007-L1030 CarbonylContact O-C 3.35Å; N1007-L1030 WeakPolarHBondContact O-CA 3.32Å; N1007-T1031 PolarHBondContact N-O 2.72Å; N1007-T1031 PolarHBondContact ND2-O 2.71Å; N1007-T1031 PolarHBondContact O-N 2.82Å; N1007-T1031 PolarHBondContact O-OG1 3.29Å |
| 1008 | G | 89.9 | Confident | 79.6 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 19% | 0.186 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.6 | -177.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | L990 K1029 | L990-G1008 CarbonylContact C-O 3.5Å; L990-G1008 PolarHBondContact N-O 2.95Å; L990-G1008 PolarHBondContact O-N 2.68Å; G1008-K1029 WeakPolarHBondContact CA-O 3.46Å |
| 1009 | L | 89.7 | Confident | 79.3 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 17% | 0.173 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 130 | 174.9 | 179.1 | 46.9 | 0 | 0 | 0 | 107.5 | E987 L988 T989 K1011 E1027 K1029 | E987-L1009 HydrophobicContact CG-CD1 3.92Å; L988-L1009 WeakPolarHBondContact O-CD1 3.46Å; T989-L1009 HydrophobicContact CG2-CD1 3.98Å; L1009-K1011 HydrophobicContact CD1-CG 4.28Å; L1009-K1011 HydrophobicContact CG-CG 4.5Å; L1009-E1027 WeakPolarHBondContact CD2-OE2 3.39Å; L1009-E1027 HydrophobicContact CG-CG 4.44Å; L1009-K1029 PolarHBondContact N-O 2.65Å |
| 1010 | I | 93.5 | Very high | 79.6 | Confident | 39 Ų | 39 | 63 Ų | 63 | 20% | 0.2 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 112.2 | 174.8 | -57.4 | 176.7 | 0 | 0 | 0 | 106.6 | L988 L990 T1012 V1025 L1028 | L988-I1010 WeakPolarHBondContact CA-O 3.36Å; L988-I1010 HydrophobicContact CB-CB 4.46Å; L988-I1010 WeakPolarHBondContact CB-O 3.09Å; L988-I1010 PolarHBondContact N-O 2.67Å; L988-I1010 PolarHBondContact O-N 2.64Å; L988-I1010 VanDerWaalsContact O-O 3.12Å; L990-I1010 HydrophobicContact CD1-CB 4.39Å; L990-I1010 HydrophobicContact CD1-CD1 3.95Å; L990-I1010 HydrophobicContact CD1-CG1 3.84Å; I1010-T1012 HydrophobicContact CG2-CG2 3.96Å; I1010-V1025 HydrophobicContact CG2-CG1 4.14Å; I1010-L1028 HydrophobicContact CD1-CD1 4.27Å; I1010-L1028 HydrophobicContact CG1-CD1 4.13Å |
| 1011 | K | 91.5 | Very high | 80.4 | Confident | 66 Ų | 66 | 65.6 Ų | 65.6 | 29% | 0.287 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 132.1 | 172.6 | -76.6 | 161.5 | 178.1 | 152.8 | 0 | 108.7 | E987 L1009 P1026 E1027 | E987-K1011 HydrophobicContact CG-CG 4.1Å; E987-K1011 WeakPolarHBondContact OE2-CE 3.48Å; E987-K1011 IonicContact OE2-NZ 2.99Å; L1009-K1011 HydrophobicContact CD1-CG 4.28Å; L1009-K1011 HydrophobicContact CG-CG 4.5Å; K1011-P1026 HydrophobicContact CB-CG 4.09Å; K1011-P1026 WeakPolarHBondContact O-CD 3.27Å; K1011-E1027 HydrophobicContact CD-CB 4.47Å; K1011-E1027 WeakPolarHBondContact CE-OE2 3.42Å; K1011-E1027 IonicContact NZ-OE2 2.87Å; K1011-E1027 PolarHBondContact NZ-OE2 3.19Å |
| 1012 | T | 92.7 | Very high | 81.6 | Confident | 43 Ų | 43 | 66.7 Ų | 66.7 | 26% | 0.264 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143.9 | 176.5 | 72.2 | 0 | 0 | 0 | 0 | 111.1 | G986 I1010 | G986-T1012 PolarHBondContact N-O 2.89Å; G986-T1012 VanDerWaalsContact N-O 3.12Å; G986-T1012 PolarHBondContact O-N 3.48Å; G986-T1012 PolarHBondContact O-OG1 3.35Å; I1010-T1012 HydrophobicContact CG2-CG2 3.96Å |
| 1013 | R | 87.3 | Confident | 82.6 | Confident | 153 Ų | 153 | 65.8 Ų | 65.8 | 58% | 0.577 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 138.3 | 168.8 | 57.5 | 179.8 | 179.1 | 168.1 | -1.9 | 109 | E1024 | R1013-E1024 IonicContact CZ-OE2 2.71Å; R1013-E1024 VanDerWaalsContact CZ-OE2 3.22Å; R1013-E1024 IonicContact NE-OE2 3.09Å; R1013-E1024 PolarHBondContact NE-OE2 3.06Å; R1013-E1024 IonicContact NH2-OE2 2.68Å; R1013-E1024 PolarHBondContact NH2-OE2 2.72Å |
| 1014 | G | 90.4 | Very high | 83.3 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | -178.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | W984 | W984-G1014 VanDerWaalsContact O-O 3.04Å |
| 1015 | S | 83 | Confident | 83.9 | Confident | 39 Ų | 39 | 67 Ų | 67 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 126.7 | -176.3 | 51 | 0 | 0 | 0 | 0 | 107.6 | ||
| 1016 | L | 79 | Confident | 84 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | trans | -101 | 92.2 | 171.2 | -179.1 | 59.8 | 0 | 0 | 0 | 108.1 | I982 W984 | I982-L1016 PolarHBondContact O-N 3.11Å; W984-L1016 HydrophobicContact CZ3-CB 4.06Å | ||
| 1017 | Y | 62.4 | Low | 84.1 | Confident | 120 Ų | 120 | 67.5 Ų | 67.5 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -125.1 | 116.4 | 170.2 | -167.8 | -106.2 | 0 | 0 | 0 | 108.3 | P741 A981 G1019 T1020 | P741-Y1017 PolarHBondContact O-OH 3.17Å; A981-Y1017 HydrophobicContact CB-CD2 3.57Å; A981-Y1017 HydrophobicContact CB-CE2 4.17Å; Y1017-G1019 PolarHBondContact O-N 3.47Å; Y1017-T1020 PolarHBondContact O-N 3.42Å; Y1017-T1020 PolarHBondContact O-OG1 3.13Å |
| 1018 | G | 61.8 | Low | 84.2 | Confident | 33 Ų | 33 | 66.3 Ų | 66.3 | 34% | 0.34 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 43.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P741 T1020 | P741-G1018 VanDerWaalsContact CG-CA 3.42Å; G1018-T1020 PolarHBondContact O-N 2.86Å; G1018-T1020 VanDerWaalsContact O-N 3.08Å |
| 1019 | G | 63.4 | Low | 84.1 | Confident | 64 Ų | 64 | 70.9 Ų | 70.9 | 66% | 0.66 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y1017 | Y1017-G1019 PolarHBondContact O-N 3.47Š|
| 1020 | T | 71.3 | Confident | 84 | Confident | 100 Ų | 100 | 70.9 Ų | 70.9 | 61% | 0.613 | 37% | 0.369 | S | S | * | . | B | Isolated β-bridge | trans | -86.1 | 142 | 177.1 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | Y1017 G1018 | Y1017-T1020 PolarHBondContact O-N 3.42Å; Y1017-T1020 PolarHBondContact O-OG1 3.13Å; G1018-T1020 PolarHBondContact O-N 2.86Å; G1018-T1020 VanDerWaalsContact O-N 3.08Å |
| 1021 | W | 84.8 | Confident | 83.7 | Confident | 145 Ų | 145 | 71.2 Ų | 71.2 | 55% | 0.549 | 37% | 0.372 | S | S | . | . | trans | -126.6 | 150 | 176.9 | 74.2 | -96 | 0 | 0 | 0 | 113 | M1023 | W1021-M1023 HydrophobicContact CE3-CB 3.83Å; W1021-M1023 HydrophobicContact CZ3-CB 3.77Å | ||
| 1022 | Q | 87.2 | Confident | 83.5 | Confident | 137 Ų | 137 | 68.8 Ų | 68.8 | 64% | 0.64 | 37% | 0.366 | S | S | * | . | trans | -140.1 | 132.4 | 165.4 | 53.7 | -177.6 | -30.3 | 0 | 0 | 107.2 | ||||
| 1023 | M | 89.3 | Confident | 82.9 | Confident | 83 Ų | 83 | 69.9 Ų | 69.9 | 41% | 0.409 | 37% | 0.37 | S | S | . | . | trans | -138.1 | 129 | -177.8 | -175.2 | -177.6 | 70.2 | 0 | 0 | 110.1 | W1021 V1025 G1047 | W1021-M1023 HydrophobicContact CE3-CB 3.83Å; W1021-M1023 HydrophobicContact CZ3-CB 3.77Å; M1023-V1025 HydrophobicContact CE-CG2 4.31Å; M1023-V1025 HydrophobicContact CG-CG2 4.48Å; M1023-V1025 HydrophobicContact SD-CG2 4.45Å; M1023-G1047 VanDerWaalsContact O-O 3.1Å | ||
| 1024 | E | 91.8 | Very high | 82.5 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 17% | 0.173 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.8 | 173.8 | -169 | 175.1 | -132.9 | 0 | 0 | 107.9 | R1013 P1026 K1046 | R1013-E1024 IonicContact CZ-OE2 2.71Å; R1013-E1024 VanDerWaalsContact CZ-OE2 3.22Å; R1013-E1024 IonicContact NE-OE2 3.09Å; R1013-E1024 PolarHBondContact NE-OE2 3.06Å; R1013-E1024 IonicContact NH2-OE2 2.68Å; R1013-E1024 PolarHBondContact NH2-OE2 2.72Å; E1024-P1026 VanDerWaalsContact C-CD 3.41Å; E1024-P1026 HydrophobicContact CG-CB 4.37Å; E1024-P1026 VanDerWaalsContact O-CD 3.23Å; E1024-P1026 WeakPolarHBondContact O-CD 3.34Å; E1024-K1046 WeakPolarHBondContact OE1-CE 3.23Å; E1024-K1046 IonicContact OE1-NZ 3.68Å; E1024-K1046 PolarHBondContact OE1-NZ 3.37Å |
| 1025 | V | 91.7 | Very high | 81.7 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 77.2 | 170.5 | -172.5 | 0 | 0 | 0 | 0 | 106.7 | I1010 M1023 E1027 L1028 L1045 | I1010-V1025 HydrophobicContact CG2-CG1 4.14Å; M1023-V1025 HydrophobicContact CE-CG2 4.31Å; M1023-V1025 HydrophobicContact CG-CG2 4.48Å; M1023-V1025 HydrophobicContact SD-CG2 4.45Å; V1025-E1027 WeakPolarHBondContact CG1-O 3.35Å; V1025-E1027 PolarHBondContact O-N 3.13Å; V1025-E1027 VanDerWaalsContact O-N 3.1Å; V1025-L1028 HydrophobicContact CG1-CB 4.07Å; V1025-L1045 HydrophobicContact CB-CD2 4.38Å; V1025-L1045 HydrophobicContact CB-CG 4.14Å; V1025-L1045 PolarHBondContact N-O 2.9Å |
| 1026 | P | 87.6 | Confident | 81 | Confident | 68 Ų | 68 | 72.2 Ų | 72.2 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | -7.8 | -172.6 | 31.7 | -37.3 | 0 | 0 | 0 | 112.9 | K1011 E1024 | K1011-P1026 HydrophobicContact CB-CG 4.09Å; K1011-P1026 WeakPolarHBondContact O-CD 3.27Å; E1024-P1026 VanDerWaalsContact C-CD 3.41Å; E1024-P1026 HydrophobicContact CG-CB 4.37Å; E1024-P1026 VanDerWaalsContact O-CD 3.23Å; E1024-P1026 WeakPolarHBondContact O-CD 3.34Å |
| 1027 | E | 89.6 | Confident | 80.9 | Confident | 64 Ų | 64 | 69 Ų | 69 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 113.1 | 176 | -170.3 | 166.5 | -168.3 | 0 | 0 | 107.7 | L1009 K1011 V1025 | L1009-E1027 WeakPolarHBondContact CD2-OE2 3.39Å; L1009-E1027 HydrophobicContact CG-CG 4.44Å; K1011-E1027 HydrophobicContact CD-CB 4.47Å; K1011-E1027 WeakPolarHBondContact CE-OE2 3.42Å; K1011-E1027 IonicContact NZ-OE2 2.87Å; K1011-E1027 PolarHBondContact NZ-OE2 3.19Å; V1025-E1027 WeakPolarHBondContact CG1-O 3.35Å; V1025-E1027 PolarHBondContact O-N 3.13Å; V1025-E1027 VanDerWaalsContact O-N 3.1Å |
| 1028 | L | 90.5 | Very high | 82 | Confident | 31 Ų | 31 | 67.9 Ų | 67.9 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 103.8 | 167 | 175.3 | 63.2 | 0 | 0 | 0 | 108.2 | I1010 V1025 L1030 G1043 L1045 | I1010-L1028 HydrophobicContact CD1-CD1 4.27Å; I1010-L1028 HydrophobicContact CG1-CD1 4.13Å; V1025-L1028 HydrophobicContact CG1-CB 4.07Å; L1028-L1030 HydrophobicContact CD1-CD1 3.98Å; L1028-L1030 HydrophobicContact CD1-CG 4.16Å; L1028-G1043 CarbonylContact C-O 3.6Å; L1028-G1043 PolarHBondContact N-O 3.01Å; L1028-G1043 PolarHBondContact O-N 2.95Å; L1028-G1043 VanDerWaalsContact O-N 3.07Å; L1028-L1045 HydrophobicContact CB-CD2 4.03Å; L1028-L1045 HydrophobicContact CD2-CD2 3.51Å; L1028-L1045 HydrophobicContact CG-CD2 4.4Å |
| 1029 | K | 88.1 | Confident | 83.2 | Confident | 114 Ų | 114 | 67 Ų | 67 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 122.1 | 177.5 | -167.5 | 171.9 | -171.7 | 172.2 | 0 | 108.7 | G1008 L1009 T1031 | G1008-K1029 WeakPolarHBondContact CA-O 3.46Å; L1009-K1029 PolarHBondContact N-O 2.65Å; K1029-T1031 HydrophobicContact CG-CG2 4.26Å |
| 1030 | L | 86.7 | Confident | 84.2 | Confident | 33 Ų | 33 | 65.4 Ų | 65.4 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 112.9 | 178.9 | -67.5 | 172.8 | 0 | 0 | 0 | 109.1 | L990 N1007 L1028 V1041 | L990-L1030 HydrophobicContact CD2-CD2 4.26Å; N1007-L1030 CarbonylContact O-C 3.35Å; N1007-L1030 WeakPolarHBondContact O-CA 3.32Å; L1028-L1030 HydrophobicContact CD1-CD1 3.98Å; L1028-L1030 HydrophobicContact CD1-CG 4.16Å; L1030-V1041 HydrophobicContact CB-CB 4.22Å; L1030-V1041 PolarHBondContact N-O 2.84Å; L1030-V1041 CarbonylContact O-C 3.46Å; L1030-V1041 PolarHBondContact O-N 3.17Å; L1030-V1041 VanDerWaalsContact O-O 3.14Å |
| 1031 | T | 87 | Confident | 85.1 | Confident | 46 Ų | 46 | 62 Ų | 62 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.8 | -170.4 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | L1006 N1007 K1029 | L1006-T1031 CarbonylContact C-O 3.49Å; N1007-T1031 PolarHBondContact N-O 2.72Å; N1007-T1031 PolarHBondContact ND2-O 2.71Å; N1007-T1031 PolarHBondContact O-N 2.82Å; N1007-T1031 PolarHBondContact O-OG1 3.29Å; K1029-T1031 HydrophobicContact CG-CG2 4.26Å |
| 1032 | G | 87.1 | Confident | 85.1 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | -157.4 | -154.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | K1005 V1039 | K1005-G1032 CarbonylContact O-C 3.49Å; K1005-G1032 WeakPolarHBondContact O-CA 3.39Å; G1032-V1039 CarbonylContact C-O 3.46Å; G1032-V1039 VanDerWaalsContact CA-O 3.29Å; G1032-V1039 WeakPolarHBondContact CA-O 3.39Å; G1032-V1039 PolarHBondContact N-O 3.11Å; G1032-V1039 PolarHBondContact O-N 3.12Å |
| 1033 | N | 81.1 | Confident | 85.2 | Confident | 67 Ų | 67 | 52.9 Ų | 52.9 | 36% | 0.358 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 158.8 | 175.8 | -60.6 | -83 | 0 | 0 | 0 | 109.7 | S1004 K1005 N1037 K1038 | S1004-N1033 CarbonylContact C-O 3.58Å; S1004-N1033 WeakPolarHBondContact CA-O 3.24Å; S1004-N1033 VanDerWaalsContact CB-O 3.29Å; S1004-N1033 WeakPolarHBondContact CB-O 3.36Å; K1005-N1033 PolarHBondContact N-O 3.14Å; K1005-N1033 PolarHBondContact O-N 2.85Å; N1033-N1037 CarbonylContact C-O 3.26Å; N1033-K1038 WeakPolarHBondContact OD1-CA 3.48Å |
| 1034 | V | 78.5 | Confident | 85.2 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.3 | 156.9 | 158.7 | 0 | 0 | 0 | 0 | 108.3 | W1002 P1003 S1004 Q1036 N1037 V1039 L1062 | W1002-V1034 HydrophobicContact CD2-CG1 4.4Å; W1002-V1034 HydrophobicContact CG-CG1 4.11Å; P1003-V1034 CarbonylContact O-C 3.55Å; P1003-V1034 VanDerWaalsContact O-C 3.23Å; P1003-V1034 WeakPolarHBondContact O-CA 3.44Å; S1004-V1034 VanDerWaalsContact CB-CG2 3.44Å; V1034-Q1036 PolarHBondContact O-N 2.82Å; V1034-N1037 PolarHBondContact N-O 3.18Å; V1034-N1037 CarbonylContact O-C 3.49Å; V1034-N1037 WeakPolarHBondContact O-CA 3.19Å; V1034-N1037 WeakPolarHBondContact O-CB 3.48Å; V1034-N1037 PolarHBondContact O-N 2.92Å; V1034-V1039 HydrophobicContact CB-CG2 3.81Å; V1034-V1039 HydrophobicContact CG2-CG2 3.66Å; V1034-L1062 HydrophobicContact CB-CD1 3.52Å; V1034-L1062 HydrophobicContact CG1-CD1 3.64Å; V1034-L1062 HydrophobicContact CG2-CD1 4.27Å |
| 1035 | K | 73.1 | Confident | 85.1 | Confident | 62 Ų | 62 | 52.7 Ų | 52.7 | 27% | 0.27 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | -129.9 | -166.2 | -66.7 | 174.4 | 163.9 | 171.4 | 0 | 109.4 | E1001 P1003 N1091 | E1001-K1035 WeakPolarHBondContact O-CE 3.4Å; E1001-K1035 PolarHBondContact O-NZ 2.88Å; P1003-K1035 VanDerWaalsContact CD-CG 3.43Å; P1003-K1035 HydrophobicContact CG-CB 4.2Å; P1003-K1035 HydrophobicContact CG-CD 4.37Å; P1003-K1035 HydrophobicContact CG-CG 3.28Å; P1003-K1035 PolarHBondContact O-N 3.37Å; K1035-N1091 HydrophobicContact CD-CB 3.64Å; K1035-N1091 WeakPolarHBondContact CD-OD1 3.4Å; K1035-N1091 WeakPolarHBondContact CE-OD1 3.49Å; K1035-N1091 PolarHBondContact NZ-OD1 2.6Å |
| 1036 | Q | 68.2 | Low | 84.9 | Confident | 182 Ų | 182 | 57.7 Ų | 57.7 | 85% | 0.85 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3 | 169.7 | -56.3 | -63 | -25.3 | 0 | 0 | 112.4 | V1034 K1038 | V1034-Q1036 PolarHBondContact O-N 2.82Å; Q1036-K1038 PolarHBondContact O-N 2.92Å |
| 1037 | N | 78.2 | Confident | 84.9 | Confident | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 99.3 | -164.8 | -57.5 | -17.6 | 0 | 0 | 0 | 109.5 | N1033 V1034 V1039 L1062 G1063 P1064 | N1033-N1037 CarbonylContact C-O 3.26Å; V1034-N1037 PolarHBondContact N-O 3.18Å; V1034-N1037 CarbonylContact O-C 3.49Å; V1034-N1037 WeakPolarHBondContact O-CA 3.19Å; V1034-N1037 WeakPolarHBondContact O-CB 3.48Å; V1034-N1037 PolarHBondContact O-N 2.92Å; N1037-V1039 PolarHBondContact O-N 2.73Å; N1037-L1062 HydrophobicContact CB-CD1 4.17Å; N1037-L1062 WeakPolarHBondContact CB-O 3.24Å; N1037-G1063 VanDerWaalsContact CA-CA 3.49Å; N1037-P1064 WeakPolarHBondContact OD1-CD 3.48Å |
| 1038 | K | 84.1 | Confident | 84.6 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -41.8 | 134.4 | 178.8 | 178 | 174.2 | 170.6 | -86.6 | 0 | 112.2 | N1033 Q1036 E1061 L1062 G1063 | N1033-K1038 WeakPolarHBondContact OD1-CA 3.48Å; Q1036-K1038 PolarHBondContact O-N 2.92Å; K1038-E1061 VanDerWaalsContact CD-OE2 3.32Å; K1038-E1061 WeakPolarHBondContact CD-OE2 3.47Å; K1038-E1061 WeakPolarHBondContact CE-OE2 3.22Å; K1038-E1061 WeakPolarHBondContact CG-OE2 3.48Å; K1038-E1061 VanDerWaalsContact NZ-CD 3.32Å; K1038-E1061 IonicContact NZ-OE1 3.62Å; K1038-E1061 PolarHBondContact NZ-OE1 2.76Å; K1038-E1061 IonicContact NZ-OE2 3.45Å; K1038-E1061 PolarHBondContact NZ-OE2 2.98Å; K1038-E1061 CarbonylContact O-C 3.49Å; K1038-L1062 CarbonylContact O-C 3.43Å; K1038-L1062 WeakPolarHBondContact O-CA 3.47Å; K1038-L1062 PolarHBondContact O-N 3.22Å; K1038-G1063 PolarHBondContact O-N 2.82Å |
| 1039 | V | 87.2 | Confident | 83.7 | Confident | 15 Ų | 15 | 56 Ų | 56 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132 | 173.4 | 167.2 | 0 | 0 | 0 | 0 | 108.4 | L1006 G1032 V1034 N1037 V1041 E1061 L1062 | L1006-V1039 HydrophobicContact CD2-CG1 3.94Å; G1032-V1039 CarbonylContact C-O 3.46Å; G1032-V1039 VanDerWaalsContact CA-O 3.29Å; G1032-V1039 WeakPolarHBondContact CA-O 3.39Å; G1032-V1039 PolarHBondContact N-O 3.11Å; G1032-V1039 PolarHBondContact O-N 3.12Å; V1034-V1039 HydrophobicContact CB-CG2 3.81Å; V1034-V1039 HydrophobicContact CG2-CG2 3.66Å; N1037-V1039 PolarHBondContact O-N 2.73Å; V1039-V1041 HydrophobicContact CG1-CG2 4.09Å; V1039-E1061 WeakPolarHBondContact CA-O 3.49Å; V1039-L1062 HydrophobicContact CG2-CD1 4.12Å |
| 1040 | N | 85 | Confident | 82.9 | Confident | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.16 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 124.6 | 170.5 | -172.2 | 56.5 | 0 | 0 | 0 | 107 | D1042 H1059 E1061 | N1040-D1042 PolarHBondContact ND2-OD1 2.83Å; N1040-H1059 PolarHBondContact ND2-CD2 2.96Å; N1040-H1059 PolarHBondContact ND2-NE2 2.84Å; N1040-H1059 VanDerWaalsContact ND2-NE2 3.13Å; N1040-H1059 PolarHBondContact O-CD2 2.96Å; N1040-E1061 HydrophobicContact CB-CB 4.35Å; N1040-E1061 PolarHBondContact O-N 2.92Å; N1040-E1061 VanDerWaalsContact O-N 3.16Å |
| 1041 | V | 90 | Very high | 82.1 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 97.4 | 179.7 | -179.5 | 0 | 0 | 0 | 0 | 106.9 | L1030 V1039 L1058 H1059 L1060 | L1030-V1041 HydrophobicContact CB-CB 4.22Å; L1030-V1041 PolarHBondContact N-O 2.84Å; L1030-V1041 CarbonylContact O-C 3.46Å; L1030-V1041 PolarHBondContact O-N 3.17Å; L1030-V1041 VanDerWaalsContact O-O 3.14Å; V1039-V1041 HydrophobicContact CG1-CG2 4.09Å; V1041-L1058 HydrophobicContact CG1-CD1 3.93Å; V1041-H1059 WeakPolarHBondContact CA-O 3.4Å; V1041-L1060 HydrophobicContact CB-CD2 4.38Å; V1041-L1060 HydrophobicContact CG1-CD2 3.89Å; V1041-L1060 HydrophobicContact CG2-CD2 3.81Å |
| 1042 | D | 84.8 | Confident | 81.7 | Confident | 67 Ų | 67 | 68.2 Ų | 68.2 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.4 | 177.5 | 59.1 | -86.6 | 0 | 0 | 0 | 110.9 | N1040 H1059 | N1040-D1042 PolarHBondContact ND2-OD1 2.83Å; D1042-H1059 IonicContact OD1-CD2 4Å |
| 1043 | G | 89.4 | Confident | 81.5 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172 | -171.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1028 | L1028-G1043 CarbonylContact C-O 3.6Å; L1028-G1043 PolarHBondContact N-O 3.01Å; L1028-G1043 PolarHBondContact O-N 2.95Å; L1028-G1043 VanDerWaalsContact O-N 3.07Å |
| 1044 | T | 88.6 | Confident | 81.6 | Confident | 68 Ų | 68 | 73.7 Ų | 73.7 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 136.6 | 173 | 54.5 | 0 | 0 | 0 | 0 | 108.1 | ||
| 1045 | L | 89.7 | Confident | 82.1 | Confident | 49 Ų | 49 | 75 Ų | 75 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 129 | 175.5 | 55.1 | 145.4 | 0 | 0 | 0 | 110.2 | V1025 L1028 W1053 | V1025-L1045 HydrophobicContact CB-CD2 4.38Å; V1025-L1045 HydrophobicContact CB-CG 4.14Å; V1025-L1045 PolarHBondContact N-O 2.9Å; L1028-L1045 HydrophobicContact CB-CD2 4.03Å; L1028-L1045 HydrophobicContact CD2-CD2 3.51Å; L1028-L1045 HydrophobicContact CG-CD2 4.4Å; L1045-W1053 HydrophobicContact CB-CE3 4.5Å; L1045-W1053 HydrophobicContact CB-CZ3 4.16Å; L1045-W1053 HydrophobicContact CD1-CZ3 3.84Å |
| 1046 | K | 87.9 | Confident | 82.5 | Confident | 119 Ų | 119 | 76.1 Ų | 76.1 | 52% | 0.517 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 108.9 | 170.5 | -174.2 | 155.8 | -175.3 | 146.6 | 0 | 109 | E1024 | E1024-K1046 WeakPolarHBondContact OE1-CE 3.23Å; E1024-K1046 IonicContact OE1-NZ 3.68Å; E1024-K1046 PolarHBondContact OE1-NZ 3.37Å |
| 1047 | G | 88.9 | Confident | 83.1 | Confident | 11 Ų | 11 | 68.8 Ų | 68.8 | 11% | 0.113 | 36% | 0.358 | C | S | . | . | trans | -90.6 | 154.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1023 | M1023-G1047 VanDerWaalsContact O-O 3.1Š| ||
| 1048 | N | 82.7 | Confident | 83.6 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 21% | 0.214 | 36% | 0.364 | C | S | . | . | trans | -157.5 | 175.3 | 159.3 | 56.2 | 21.4 | 0 | 0 | 0 | 107.3 | Y1050 M1051 Q1052 | N1048-Y1050 HydrophobicContact CB-CD2 4.25Å; N1048-Y1050 PolarHBondContact O-N 2.9Å; N1048-Y1050 WeakPolarHBondContact OD1-CA 2.98Å; N1048-Y1050 WeakPolarHBondContact OD1-CB 2.98Å; N1048-Y1050 PolarHBondContact OD1-N 3.08Å; N1048-M1051 PolarHBondContact OD1-N 3.01Å; N1048-Q1052 PolarHBondContact ND2-OE1 2.79Å | ||
| 1049 | S | 71.2 | Confident | 83.9 | Confident | 78 Ų | 78 | 66.8 Ų | 66.8 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 8.3 | 173 | 42.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1050 | Y | 71.4 | Confident | 83.9 | Confident | 175 Ų | 175 | 68.9 Ų | 68.9 | 69% | 0.686 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 13.6 | -175.4 | -48.2 | -62.7 | 0 | 0 | 0 | 114.3 | N1048 Q1052 | N1048-Y1050 HydrophobicContact CB-CD2 4.25Å; N1048-Y1050 PolarHBondContact O-N 2.9Å; N1048-Y1050 WeakPolarHBondContact OD1-CA 2.98Å; N1048-Y1050 WeakPolarHBondContact OD1-CB 2.98Å; N1048-Y1050 PolarHBondContact OD1-N 3.08Å; Y1050-Q1052 VanDerWaalsContact C-N 3.27Å; Y1050-Q1052 PolarHBondContact O-N 2.97Å; Y1050-Q1052 VanDerWaalsContact O-N 3.15Å |
| 1051 | M | 70.5 | Confident | 84 | Confident | 141 Ų | 141 | 70 Ų | 70 | 70% | 0.695 | 37% | 0.365 | S | S | * | . | trans | 57 | 28.9 | 171.6 | -63.6 | -67.5 | -74.1 | 0 | 0 | 115.9 | N1048 W1053 | N1048-M1051 PolarHBondContact OD1-N 3.01Å; M1051-W1053 VanDerWaalsContact C-N 3.26Å; M1051-W1053 PolarHBondContact O-N 2.95Å; M1051-W1053 PolarHBondContact SD-NE1 3.16Å | ||
| 1052 | Q | 78.4 | Confident | 83.9 | Confident | 133 Ų | 133 | 70.1 Ų | 70.1 | 62% | 0.621 | 37% | 0.365 | S | S | * | . | trans | -80 | 66.2 | -179.6 | -68.5 | 179.3 | -38.8 | 0 | 0 | 112.7 | N1048 Y1050 M1054 | N1048-Q1052 PolarHBondContact ND2-OE1 2.79Å; Y1050-Q1052 VanDerWaalsContact C-N 3.27Å; Y1050-Q1052 PolarHBondContact O-N 2.97Å; Y1050-Q1052 VanDerWaalsContact O-N 3.15Å; Q1052-M1054 PolarHBondContact O-N 3.31Å; Q1052-M1054 VanDerWaalsContact O-N 3.09Å | ||
| 1053 | W | 82.1 | Confident | 83.9 | Confident | 85 Ų | 85 | 68.2 Ų | 68.2 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | trans | -79.1 | 90.3 | -172.8 | -65.8 | 103.2 | 0 | 0 | 0 | 113.7 | L1045 M1051 | L1045-W1053 HydrophobicContact CB-CE3 4.5Å; L1045-W1053 HydrophobicContact CB-CZ3 4.16Å; L1045-W1053 HydrophobicContact CD1-CZ3 3.84Å; M1051-W1053 VanDerWaalsContact C-N 3.26Å; M1051-W1053 PolarHBondContact O-N 2.95Å; M1051-W1053 PolarHBondContact SD-NE1 3.16Å | ||
| 1054 | M | 84.6 | Confident | 83.6 | Confident | 111 Ų | 111 | 70.2 Ų | 70.2 | 55% | 0.547 | 37% | 0.371 | S | S | . | . | trans | -81.5 | 122.3 | 165.2 | -173.6 | 176.9 | -74.8 | 0 | 0 | 110.1 | Q1052 P1056 | Q1052-M1054 PolarHBondContact O-N 3.31Å; Q1052-M1054 VanDerWaalsContact O-N 3.09Å; M1054-P1056 HydrophobicContact CG-CG 4.09Å | ||
| 1055 | I | 88.3 | Confident | 83.6 | Confident | 37 Ų | 37 | 67.5 Ų | 67.5 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | trans | -125.4 | 83.1 | 176.3 | -52.6 | 175.8 | 0 | 0 | 0 | 108.1 | G1057 L1058 L1073 | I1055-G1057 PolarHBondContact O-N 2.82Å; I1055-G1057 VanDerWaalsContact O-N 3.17Å; I1055-L1058 HydrophobicContact CG2-CB 3.59Å; I1055-L1073 HydrophobicContact CD1-CD1 4.47Å | ||
| 1056 | P | 81.4 | Confident | 83.5 | Confident | 86 Ų | 86 | 67.1 Ų | 67.1 | 56% | 0.558 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -59.4 | -30.3 | -176.1 | -23.3 | 34.8 | 0 | 0 | 0 | 112.9 | M1054 | M1054-P1056 HydrophobicContact CG-CG 4.09Š|
| 1057 | G | 81.3 | Confident | 83.6 | Confident | 27 Ų | 27 | 63 Ų | 63 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | trans | -169.2 | 147.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | I1055 | I1055-G1057 PolarHBondContact O-N 2.82Å; I1055-G1057 VanDerWaalsContact O-N 3.17Å | ||
| 1058 | L | 87.3 | Confident | 83.5 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 25% | 0.246 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 82.6 | 168.7 | -178.4 | 65.3 | 0 | 0 | 0 | 107.9 | V1041 I1055 L1060 V1069 | V1041-L1058 HydrophobicContact CG1-CD1 3.93Å; I1055-L1058 HydrophobicContact CG2-CB 3.59Å; L1058-L1060 HydrophobicContact CD1-CD2 4Å; L1058-L1060 HydrophobicContact CD2-CD1 4.42Å; L1058-L1060 HydrophobicContact CD2-CD2 4.31Å; L1058-L1060 HydrophobicContact CG-CD1 4.47Å; L1058-L1060 HydrophobicContact CG-CD2 3.86Å; L1058-L1060 HydrophobicContact CG-CG 4.1Å; L1058-V1069 CarbonylContact C-O 3.54Å; L1058-V1069 VanDerWaalsContact C-O 3.25Å; L1058-V1069 WeakPolarHBondContact CA-O 3.47Å; L1058-V1069 HydrophobicContact CB-CB 4.49Å; L1058-V1069 PolarHBondContact N-O 3.01Å; L1058-V1069 WeakPolarHBondContact O-CB 3.25Å; L1058-V1069 PolarHBondContact O-N 2.86Å |
| 1059 | H | 91 | Very high | 83.8 | Confident | 31 Ų | 31 | 66 Ų | 66 | 14% | 0.144 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 131 | 173.4 | 164.9 | 98.7 | 0 | 0 | 0 | 109 | N1040 V1041 D1042 E1061 E1068 | N1040-H1059 PolarHBondContact ND2-CD2 2.96Å; N1040-H1059 PolarHBondContact ND2-NE2 2.84Å; N1040-H1059 VanDerWaalsContact ND2-NE2 3.13Å; N1040-H1059 PolarHBondContact O-CD2 2.96Å; V1041-H1059 WeakPolarHBondContact CA-O 3.4Å; D1042-H1059 IonicContact OD1-CD2 4Å; H1059-E1061 IonicContact CE1-OE1 3.67Å; H1059-E1061 PolarHBondContact CE1-OE1 2.83Å; H1059-E1061 VanDerWaalsContact CE1-OE1 3.31Å; H1059-E1061 WeakPolarHBondContact NE2-CG 3.43Å; H1059-E1061 IonicContact NE2-OE1 2.68Å; H1059-E1061 PolarHBondContact NE2-OE1 2.9Å; H1059-E1068 IonicContact CE1-OE1 3.53Å; H1059-E1068 PolarHBondContact CE1-OE1 3.31Å; H1059-E1068 IonicContact CG-OE1 3.58Å; H1059-E1068 IonicContact CG-OE2 3.76Å; H1059-E1068 VanDerWaalsContact ND1-CD 3.33Å; H1059-E1068 IonicContact ND1-OE1 2.72Å; H1059-E1068 PolarHBondContact ND1-OE1 2.87Å; H1059-E1068 IonicContact ND1-OE2 2.56Å; H1059-E1068 PolarHBondContact ND1-OE2 3.1Å |
| 1060 | L | 87.5 | Confident | 84.4 | Confident | 60 Ų | 60 | 67.5 Ų | 67.5 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 91.8 | -178.2 | -57.1 | 173.3 | 0 | 0 | 0 | 110.4 | V1041 L1058 A1067 V1069 | V1041-L1060 HydrophobicContact CB-CD2 4.38Å; V1041-L1060 HydrophobicContact CG1-CD2 3.89Å; V1041-L1060 HydrophobicContact CG2-CD2 3.81Å; L1058-L1060 HydrophobicContact CD1-CD2 4Å; L1058-L1060 HydrophobicContact CD2-CD1 4.42Å; L1058-L1060 HydrophobicContact CD2-CD2 4.31Å; L1058-L1060 HydrophobicContact CG-CD1 4.47Å; L1058-L1060 HydrophobicContact CG-CD2 3.86Å; L1058-L1060 HydrophobicContact CG-CG 4.1Å; L1060-A1067 CarbonylContact C-O 3.53Å; L1060-A1067 WeakPolarHBondContact CA-O 3.41Å; L1060-A1067 HydrophobicContact CB-CB 4.35Å; L1060-A1067 WeakPolarHBondContact CB-O 3.48Å; L1060-A1067 PolarHBondContact N-O 2.94Å; L1060-A1067 PolarHBondContact O-N 2.81Å; L1060-V1069 HydrophobicContact CD1-CG2 4.09Å |
| 1061 | E | 87.8 | Confident | 85.1 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 142.3 | 171 | -91 | 179.6 | -162 | 0 | 0 | 112.7 | K1038 V1039 N1040 H1059 | K1038-E1061 VanDerWaalsContact CD-OE2 3.32Å; K1038-E1061 WeakPolarHBondContact CD-OE2 3.47Å; K1038-E1061 WeakPolarHBondContact CE-OE2 3.22Å; K1038-E1061 WeakPolarHBondContact CG-OE2 3.48Å; K1038-E1061 VanDerWaalsContact NZ-CD 3.32Å; K1038-E1061 IonicContact NZ-OE1 3.62Å; K1038-E1061 PolarHBondContact NZ-OE1 2.76Å; K1038-E1061 IonicContact NZ-OE2 3.45Å; K1038-E1061 PolarHBondContact NZ-OE2 2.98Å; K1038-E1061 CarbonylContact O-C 3.49Å; V1039-E1061 WeakPolarHBondContact CA-O 3.49Å; N1040-E1061 HydrophobicContact CB-CB 4.35Å; N1040-E1061 PolarHBondContact O-N 2.92Å; N1040-E1061 VanDerWaalsContact O-N 3.16Å; H1059-E1061 IonicContact CE1-OE1 3.67Å; H1059-E1061 PolarHBondContact CE1-OE1 2.83Å; H1059-E1061 VanDerWaalsContact CE1-OE1 3.31Å; H1059-E1061 WeakPolarHBondContact NE2-CG 3.43Å; H1059-E1061 IonicContact NE2-OE1 2.68Å; H1059-E1061 PolarHBondContact NE2-OE1 2.9Å |
| 1062 | L | 86.4 | Confident | 85.5 | Confident | 33 Ų | 33 | 59.1 Ų | 59.1 | 17% | 0.173 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 56.9 | 166.7 | -177.5 | 51.8 | 0 | 0 | 0 | 108.1 | W1002 V1034 N1037 K1038 V1039 P1064 N1065 | W1002-L1062 HydrophobicContact CZ2-CD2 4.13Å; V1034-L1062 HydrophobicContact CB-CD1 3.52Å; V1034-L1062 HydrophobicContact CG1-CD1 3.64Å; V1034-L1062 HydrophobicContact CG2-CD1 4.27Å; N1037-L1062 HydrophobicContact CB-CD1 4.17Å; N1037-L1062 WeakPolarHBondContact CB-O 3.24Å; K1038-L1062 CarbonylContact O-C 3.43Å; K1038-L1062 WeakPolarHBondContact O-CA 3.47Å; K1038-L1062 PolarHBondContact O-N 3.22Å; V1039-L1062 HydrophobicContact CG2-CD1 4.12Å; L1062-P1064 WeakPolarHBondContact O-CD 3.44Å; L1062-N1065 CarbonylContact C-O 3.51Å; L1062-N1065 WeakPolarHBondContact CA-O 3.49Å; L1062-N1065 HydrophobicContact CB-CB 4.29Å; L1062-N1065 WeakPolarHBondContact CB-O 3.36Å; L1062-N1065 PolarHBondContact N-O 2.71Å; L1062-N1065 WeakPolarHBondContact O-CB 3.38Å; L1062-N1065 PolarHBondContact O-N 2.71Å; L1062-N1065 VanDerWaalsContact O-N 3.1Å; L1062-N1065 VanDerWaalsContact O-O 3.08Å |
| 1063 | G | 84.6 | Confident | 85.2 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | -114.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1037 K1038 N1065 | N1037-G1063 VanDerWaalsContact CA-CA 3.49Å; K1038-G1063 PolarHBondContact O-N 2.82Å; G1063-N1065 PolarHBondContact O-N 3.48Å |
| 1064 | P | 83.5 | Confident | 84.6 | Confident | 65 Ų | 65 | 54.5 Ų | 54.5 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.7 | 174.4 | 33 | -36 | 0 | 0 | 0 | 111.7 | N1037 L1062 N1085 P1087 | N1037-P1064 WeakPolarHBondContact OD1-CD 3.48Å; L1062-P1064 WeakPolarHBondContact O-CD 3.44Å; P1064-N1085 PolarHBondContact O-ND2 3.16Å; P1064-P1087 HydrophobicContact CB-CG 4.08Å; P1064-P1087 VanDerWaalsContact O-CD 3.26Å; P1064-P1087 WeakPolarHBondContact O-CD 3.24Å |
| 1065 | N | 89.1 | Confident | 83.3 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.053 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 120 | 176.9 | -55.7 | -25.7 | 0 | 0 | 0 | 108.4 | L1062 G1063 N1085 A1086 P1087 G1088 | L1062-N1065 CarbonylContact C-O 3.51Å; L1062-N1065 WeakPolarHBondContact CA-O 3.49Å; L1062-N1065 HydrophobicContact CB-CB 4.29Å; L1062-N1065 WeakPolarHBondContact CB-O 3.36Å; L1062-N1065 PolarHBondContact N-O 2.71Å; L1062-N1065 WeakPolarHBondContact O-CB 3.38Å; L1062-N1065 PolarHBondContact O-N 2.71Å; L1062-N1065 VanDerWaalsContact O-N 3.1Å; L1062-N1065 VanDerWaalsContact O-O 3.08Å; G1063-N1065 PolarHBondContact O-N 3.48Å; N1065-N1085 VanDerWaalsContact CA-O 3.25Å; N1065-N1085 WeakPolarHBondContact CA-O 3.25Å; N1065-A1086 HydrophobicContact CB-CB 4.12Å; N1065-A1086 WeakPolarHBondContact OD1-CA 3.45Å; N1065-P1087 WeakPolarHBondContact OD1-CD 3.45Å; N1065-G1088 PolarHBondContact ND2-O 2.83Å; N1065-G1088 PolarHBondContact OD1-O 3.4Å |
| 1066 | S | 88.6 | Confident | 82 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.2 | -174.7 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | N1085 | S1066-N1085 PolarHBondContact N-O 3.42Å; S1066-N1085 VanDerWaalsContact N-O 3.09Å; S1066-N1085 PolarHBondContact O-N 2.97Å |
| 1067 | A | 89.3 | Confident | 81.4 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 26% | 0.256 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 111.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1060 | L1060-A1067 CarbonylContact C-O 3.53Å; L1060-A1067 WeakPolarHBondContact CA-O 3.41Å; L1060-A1067 HydrophobicContact CB-CB 4.35Å; L1060-A1067 WeakPolarHBondContact CB-O 3.48Å; L1060-A1067 PolarHBondContact N-O 2.94Å; L1060-A1067 PolarHBondContact O-N 2.81Å |
| 1068 | E | 86.3 | Confident | 81.4 | Confident | 83 Ų | 83 | 63.5 Ų | 63.5 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 115.2 | 167.8 | -70 | -68 | 178.4 | 0 | 0 | 108.5 | H1059 D1081 | H1059-E1068 IonicContact CE1-OE1 3.53Å; H1059-E1068 PolarHBondContact CE1-OE1 3.31Å; H1059-E1068 IonicContact CG-OE1 3.58Å; H1059-E1068 IonicContact CG-OE2 3.76Å; H1059-E1068 VanDerWaalsContact ND1-CD 3.33Å; H1059-E1068 IonicContact ND1-OE1 2.72Å; H1059-E1068 PolarHBondContact ND1-OE1 2.87Å; H1059-E1068 IonicContact ND1-OE2 2.56Å; H1059-E1068 PolarHBondContact ND1-OE2 3.1Å; E1068-D1081 CarbonylContact O-C 3.43Å |
| 1069 | V | 88.6 | Confident | 81.3 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 20% | 0.2 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117 | 173.7 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | L1058 L1060 L1080 | L1058-V1069 CarbonylContact C-O 3.54Å; L1058-V1069 VanDerWaalsContact C-O 3.25Å; L1058-V1069 WeakPolarHBondContact CA-O 3.47Å; L1058-V1069 HydrophobicContact CB-CB 4.49Å; L1058-V1069 PolarHBondContact N-O 3.01Å; L1058-V1069 WeakPolarHBondContact O-CB 3.25Å; L1058-V1069 PolarHBondContact O-N 2.86Å; L1060-V1069 HydrophobicContact CD1-CG2 4.09Å; V1069-L1080 HydrophobicContact CG1-CD1 4.14Å |
| 1070 | K | 84.5 | Confident | 81.1 | Confident | 108 Ų | 108 | 66.8 Ų | 66.8 | 47% | 0.47 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 145.6 | 177.2 | 67.4 | -171.7 | 179.1 | -172.7 | 0 | 109.5 | L1080 D1081 | K1070-L1080 WeakPolarHBondContact O-CA 3.42Å; K1070-D1081 HydrophobicContact CG-CB 4.3Å; K1070-D1081 PolarHBondContact O-N 2.84Å |
| 1071 | G | 86.8 | Confident | 81.1 | Confident | 14 Ų | 14 | 65 Ų | 65 | 14% | 0.144 | 36% | 0.358 | C | S | . | . | trans | 143.7 | 145.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | N1079 | G1071-N1079 VanDerWaalsContact CA-O 3.27Å; G1071-N1079 WeakPolarHBondContact CA-O 3.32Å | ||
| 1072 | E | 77.3 | Confident | 81.1 | Confident | 126 Ų | 126 | 63.7 Ų | 63.7 | 59% | 0.589 | 36% | 0.356 | S | S | * | . | trans | -79.2 | 129.3 | 167.8 | -66 | 176.6 | -164.7 | 0 | 0 | 108.2 | G1074 | E1072-G1074 PolarHBondContact O-N 2.82Š| ||
| 1073 | L | 74 | Confident | 81.2 | Confident | 95 Ų | 95 | 65 Ų | 65 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | trans | -81 | 58.8 | 165.5 | -65.5 | 178.9 | 0 | 0 | 0 | 108.9 | I1055 L1080 | I1055-L1073 HydrophobicContact CD1-CD1 4.47Å; L1073-L1080 HydrophobicContact CD2-CD1 4.39Å | ||
| 1074 | G | 67.9 | Low | 81.2 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 28% | 0.278 | 37% | 0.369 | S | S | . | . | trans | -96.3 | 152.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1072 K1076 | E1072-G1074 PolarHBondContact O-N 2.82Å; G1074-K1076 PolarHBondContact O-N 2.88Å | ||
| 1075 | V | 57.1 | Low | 81.5 | Confident | 139 Ų | 139 | 66 Ų | 66 | 84% | 0.842 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -70.3 | 0.1 | -172.1 | -168.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1076 | K | 61.8 | Low | 81.5 | Confident | 164 Ų | 164 | 66 Ų | 66 | 71% | 0.713 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -114.2 | -40.8 | -177.5 | -67.9 | -171.1 | 174.5 | -175.8 | 0 | 114.3 | G1074 | G1074-K1076 PolarHBondContact O-N 2.88Š|
| 1077 | D | 68.9 | Low | 81.4 | Confident | 104 Ų | 104 | 67 Ų | 67 | 56% | 0.556 | 37% | 0.367 | S | S | * | . | B | Isolated β-bridge | trans | -127.7 | 105.4 | -165.4 | -65.2 | -82.1 | 0 | 0 | 0 | 111.4 | N1079 | D1077-N1079 VanDerWaalsContact C-N 3.28Å; D1077-N1079 PolarHBondContact O-N 3.07Å |
| 1078 | L | 80.1 | Confident | 81 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 22% | 0.22 | 37% | 0.365 | C | S | . | . | trans | -84.8 | 73.3 | 172.7 | -71.9 | -171.9 | 0 | 0 | 0 | 111 | L1080 V1106 G1108 V1110 | L1078-L1080 PolarHBondContact O-N 2.97Å; L1078-V1106 HydrophobicContact CB-CG1 3.94Å; L1078-V1106 HydrophobicContact CD1-CG1 4.14Å; L1078-G1108 PolarHBondContact N-O 3.36Å; L1078-V1110 HydrophobicContact CD1-CB 4.44Å; L1078-V1110 HydrophobicContact CD1-CG2 4.4Å; L1078-V1110 HydrophobicContact CD2-CG2 4.08Å; L1078-V1110 HydrophobicContact CG-CB 4.28Å; L1078-V1110 HydrophobicContact CG-CG2 3.78Å | ||
| 1079 | N | 85.9 | Confident | 80.9 | Confident | 102 Ų | 102 | 63.7 Ų | 63.7 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | trans | -101.3 | 55.8 | 177.9 | -165.2 | 26.6 | 0 | 0 | 0 | 111.4 | G1071 D1077 | G1071-N1079 VanDerWaalsContact CA-O 3.27Å; G1071-N1079 WeakPolarHBondContact CA-O 3.32Å; D1077-N1079 VanDerWaalsContact C-N 3.28Å; D1077-N1079 PolarHBondContact O-N 3.07Å | ||
| 1080 | L | 86.8 | Confident | 80 | Confident | 46 Ų | 46 | 65.1 Ų | 65.1 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | trans | -99.4 | 119.1 | 179.6 | -162 | 79.9 | 0 | 0 | 0 | 111.6 | V1069 K1070 L1073 L1078 V1106 | V1069-L1080 HydrophobicContact CG1-CD1 4.14Å; K1070-L1080 WeakPolarHBondContact O-CA 3.42Å; L1073-L1080 HydrophobicContact CD2-CD1 4.39Å; L1078-L1080 PolarHBondContact O-N 2.97Å; L1080-V1106 HydrophobicContact CB-CB 4.18Å; L1080-V1106 HydrophobicContact CB-CG2 4.3Å; L1080-V1106 PolarHBondContact O-N 2.92Å; L1080-V1106 VanDerWaalsContact O-N 3.14Å | ||
| 1081 | D | 87.6 | Confident | 79.1 | Confident | 23 Ų | 23 | 64 Ų | 64 | 12% | 0.123 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.7 | 172.5 | -76.1 | 22.4 | 0 | 0 | 0 | 110.2 | E1068 K1070 R1107 | E1068-D1081 CarbonylContact O-C 3.43Å; K1070-D1081 HydrophobicContact CG-CB 4.3Å; K1070-D1081 PolarHBondContact O-N 2.84Å; D1081-R1107 IonicContact OD1-CZ 2.72Å; D1081-R1107 IonicContact OD1-NH1 2.77Å; D1081-R1107 PolarHBondContact OD1-NH1 2.77Å; D1081-R1107 IonicContact OD1-NH2 3.15Å; D1081-R1107 PolarHBondContact OD1-NH2 3.2Å; D1081-R1107 IonicContact OD2-NH2 3.55Å; D1081-R1107 PolarHBondContact OD2-NH2 3.38Å; D1081-R1107 VanDerWaalsContact OD2-NH2 3.08Å |
| 1082 | A | 87.9 | Confident | 78.4 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 85.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V1104 | A1082-V1104 CarbonylContact C-O 3.32Å; A1082-V1104 HydrophobicContact CB-CB 4.07Å; A1082-V1104 HydrophobicContact CB-CG1 4.41Å; A1082-V1104 PolarHBondContact N-O 2.85Å; A1082-V1104 CarbonylContact O-C 3.55Å; A1082-V1104 WeakPolarHBondContact O-CA 3.23Å; A1082-V1104 WeakPolarHBondContact O-CB 3.41Å; A1082-V1104 PolarHBondContact O-N 2.95Å |
| 1083 | T | 88.1 | Confident | 77.9 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 118.3 | 175.9 | -59.1 | 0 | 0 | 0 | 0 | 109.3 | L1103 | T1083-L1103 HydrophobicContact CG2-CD1 4.2Å; T1083-L1103 WeakPolarHBondContact OG1-CD1 3.33Å |
| 1084 | I | 86 | Confident | 77.5 | Confident | 66 Ų | 66 | 60.3 Ų | 60.3 | 34% | 0.338 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 84.4 | -171.8 | -51.8 | 177.5 | 0 | 0 | 0 | 109.8 | G1102 V1104 | I1084-G1102 CarbonylContact C-O 3.31Å; I1084-G1102 VanDerWaalsContact C-O 3.31Å; I1084-G1102 PolarHBondContact N-O 2.96Å; I1084-G1102 VanDerWaalsContact N-O 3.09Å; I1084-G1102 PolarHBondContact O-N 2.96Å; I1084-V1104 HydrophobicContact CD1-CG2 3.89Å |
| 1085 | N | 88.8 | Confident | 77.7 | Confident | 47 Ų | 47 | 61.3 Ų | 61.3 | 25% | 0.251 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 95.5 | 171.3 | 179.9 | 74.3 | 0 | 0 | 0 | 108.5 | P1064 N1065 S1066 P1087 K1101 | P1064-N1085 PolarHBondContact O-ND2 3.16Å; N1065-N1085 VanDerWaalsContact CA-O 3.25Å; N1065-N1085 WeakPolarHBondContact CA-O 3.25Å; S1066-N1085 PolarHBondContact N-O 3.42Å; S1066-N1085 VanDerWaalsContact N-O 3.09Å; S1066-N1085 PolarHBondContact O-N 2.97Å; N1085-P1087 VanDerWaalsContact C-CD 3.46Å; N1085-P1087 WeakPolarHBondContact O-CD 3.09Å; N1085-K1101 VanDerWaalsContact OD1-CE 3.25Å; N1085-K1101 WeakPolarHBondContact OD1-CE 3.37Å; N1085-K1101 PolarHBondContact OD1-NZ 3.42Å |
| 1086 | A | 88.6 | Confident | 78.9 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 69.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1065 G1088 L1089 A1100 | N1065-A1086 HydrophobicContact CB-CB 4.12Å; N1065-A1086 WeakPolarHBondContact OD1-CA 3.45Å; A1086-G1088 PolarHBondContact O-N 2.79Å; A1086-L1089 HydrophobicContact CB-CD2 3.93Å; A1086-A1100 CarbonylContact C-O 3.58Å; A1086-A1100 WeakPolarHBondContact CA-O 3.48Å; A1086-A1100 VanDerWaalsContact CB-O 3.26Å; A1086-A1100 WeakPolarHBondContact CB-O 3.32Å; A1086-A1100 PolarHBondContact N-O 2.94Å; A1086-A1100 CarbonylContact O-C 3.33Å; A1086-A1100 PolarHBondContact O-N 2.72Å |
| 1087 | P | 86.4 | Confident | 80 | Confident | 64 Ų | 64 | 49 Ų | 49 | 42% | 0.416 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -64.8 | -13.1 | -172.3 | 29.7 | -37.4 | 0 | 0 | 0 | 114.1 | P1064 N1065 N1085 T1099 | P1064-P1087 HydrophobicContact CB-CG 4.08Å; P1064-P1087 VanDerWaalsContact O-CD 3.26Å; P1064-P1087 WeakPolarHBondContact O-CD 3.24Å; N1065-P1087 WeakPolarHBondContact OD1-CD 3.45Å; N1085-P1087 VanDerWaalsContact C-CD 3.46Å; N1085-P1087 WeakPolarHBondContact O-CD 3.09Å; P1087-T1099 VanDerWaalsContact O-CG2 3.28Å; P1087-T1099 WeakPolarHBondContact O-CG2 3.42Å |
| 1088 | G | 82 | Confident | 81.1 | Confident | 20 Ų | 20 | 44.5 Ų | 44.5 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | trans | -142.1 | 107 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110 | N1065 A1086 | N1065-G1088 PolarHBondContact ND2-O 2.83Å; N1065-G1088 PolarHBondContact OD1-O 3.4Å; A1086-G1088 PolarHBondContact O-N 2.79Å | ||
| 1089 | L | 83.7 | Confident | 81.7 | Confident | 24 Ų | 24 | 45 Ų | 45 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | trans | -71.9 | -20.6 | 165.1 | -69.7 | 178.8 | 0 | 0 | 0 | 111.4 | A1086 N1091 A1092 L1096 G1098 A1100 L1124 | A1086-L1089 HydrophobicContact CB-CD2 3.93Å; L1089-N1091 PolarHBondContact O-N 2.92Å; L1089-A1092 HydrophobicContact CB-CB 4.5Å; L1089-A1092 HydrophobicContact CD2-CB 4.07Å; L1089-A1092 VanDerWaalsContact O-CB 3.28Å; L1089-A1092 WeakPolarHBondContact O-CB 3.48Å; L1089-A1092 PolarHBondContact O-N 2.77Å; L1089-L1096 HydrophobicContact CB-CD2 4.3Å; L1089-L1096 HydrophobicContact CB-CG 4.26Å; L1089-L1096 HydrophobicContact CD1-CD2 4.26Å; L1089-L1096 HydrophobicContact CD1-CG 4.43Å; L1089-L1096 HydrophobicContact CD2-CD2 4.29Å; L1089-G1098 WeakPolarHBondContact CA-O 3.49Å; L1089-G1098 WeakPolarHBondContact CB-O 3.32Å; L1089-G1098 PolarHBondContact N-O 3.38Å; L1089-A1100 HydrophobicContact CD1-CB 3.66Å; L1089-A1100 HydrophobicContact CD2-CB 4.22Å; L1089-A1100 HydrophobicContact CG-CB 3.97Å; L1089-L1124 HydrophobicContact CD1-CD2 3.82Å | ||
| 1090 | D | 70.8 | Confident | 82 | Confident | 63 Ų | 63 | 41 Ų | 41 | 34% | 0.337 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -53.7 | 111.4 | 165.1 | -57.1 | -71.3 | 0 | 0 | 0 | 109.1 | G1097 G1098 R1125 | D1090-G1097 WeakPolarHBondContact OD1-CA 3.27Å; D1090-G1098 VanDerWaalsContact CG-N 3.3Å; D1090-G1098 PolarHBondContact N-O 3Å; D1090-G1098 PolarHBondContact OD1-N 2.86Å; D1090-G1098 VanDerWaalsContact OD1-N 3.07Å; D1090-G1098 PolarHBondContact OD2-N 2.79Å; D1090-G1098 VanDerWaalsContact OD2-N 3.11Å; D1090-R1125 IonicContact OD1-CZ 2.75Å; D1090-R1125 IonicContact OD1-NE 2.62Å; D1090-R1125 IonicContact OD1-NH2 2.67Å; D1090-R1125 PolarHBondContact OD1-NH2 3.29Å |
| 1091 | N | 65.3 | Low | 82.1 | Confident | 83 Ų | 83 | 45 Ų | 45 | 44% | 0.444 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 0.7 | -171.3 | -55.3 | -79.6 | 0 | 0 | 0 | 117.8 | K1035 L1089 | K1035-N1091 HydrophobicContact CD-CB 3.64Å; K1035-N1091 WeakPolarHBondContact CD-OD1 3.4Å; K1035-N1091 WeakPolarHBondContact CE-OD1 3.49Å; K1035-N1091 PolarHBondContact NZ-OD1 2.6Å; L1089-N1091 PolarHBondContact O-N 2.92Å |
| 1092 | A | 71.7 | Confident | 82.2 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -32.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W1002 L1089 | W1002-A1092 PolarHBondContact NE1-O 2.83Å; L1089-A1092 HydrophobicContact CB-CB 4.5Å; L1089-A1092 HydrophobicContact CD2-CB 4.07Å; L1089-A1092 VanDerWaalsContact O-CB 3.28Å; L1089-A1092 WeakPolarHBondContact O-CB 3.48Å; L1089-A1092 PolarHBondContact O-N 2.77Å |
| 1093 | L | 66.7 | Low | 82.3 | Confident | 95 Ų | 95 | 46.2 Ų | 46.2 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -148.1 | 157.2 | 173.6 | -91.3 | 164.6 | 0 | 0 | 0 | 109.7 | L1096 | L1093-L1096 HydrophobicContact CB-CB 3.72Å; L1093-L1096 HydrophobicContact CB-CD2 3.97Å; L1093-L1096 HydrophobicContact CD1-CD2 4.01Å; L1093-L1096 PolarHBondContact O-N 2.81Å |
| 1094 | P | 64.9 | Low | 82.4 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 34% | 0.338 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -56.7 | 136.4 | 169.9 | -25 | 35.5 | 0 | 0 | 0 | 112.2 | E1001 L1096 | E1001-P1094 HydrophobicContact CB-CB 4.36Å; E1001-P1094 HydrophobicContact CB-CG 3.97Å; P1094-L1096 PolarHBondContact O-N 2.03Å |
| 1095 | G | 72.3 | Confident | 82.6 | Confident | 48 Ų | 48 | 44.6 Ų | 44.6 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 66.1 | -27.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | G1097 | G1095-G1097 PolarHBondContact O-N 3.05Š|
| 1096 | L | 83.5 | Confident | 82.5 | Confident | 43 Ų | 43 | 44.1 Ų | 44.1 | 23% | 0.225 | 26% | 0.264 | C | S | . | . | trans | -66.9 | 125.5 | 177.1 | -172.9 | 67.7 | 0 | 0 | 0 | 110.3 | L1089 L1093 P1094 L1124 R1125 | L1089-L1096 HydrophobicContact CB-CD2 4.3Å; L1089-L1096 HydrophobicContact CB-CG 4.26Å; L1089-L1096 HydrophobicContact CD1-CD2 4.26Å; L1089-L1096 HydrophobicContact CD1-CG 4.43Å; L1089-L1096 HydrophobicContact CD2-CD2 4.29Å; L1093-L1096 HydrophobicContact CB-CB 3.72Å; L1093-L1096 HydrophobicContact CB-CD2 3.97Å; L1093-L1096 HydrophobicContact CD1-CD2 4.01Å; L1093-L1096 PolarHBondContact O-N 2.81Å; P1094-L1096 PolarHBondContact O-N 2.03Å; L1096-L1124 HydrophobicContact CD1-CD2 4.41Å; L1096-R1125 WeakPolarHBondContact CA-O 3.41Å | ||
| 1097 | G | 84.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | -179.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1090 G1095 G1123 R1125 | D1090-G1097 WeakPolarHBondContact OD1-CA 3.27Å; G1095-G1097 PolarHBondContact O-N 3.05Å; G1097-G1123 CarbonylContact C-O 3.51Å; G1097-R1125 PolarHBondContact N-O 3.04Å |
| 1098 | G | 92.1 | Very high | 82.3 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.5 | -151.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1089 D1090 R1122 | L1089-G1098 WeakPolarHBondContact CA-O 3.49Å; L1089-G1098 WeakPolarHBondContact CB-O 3.32Å; L1089-G1098 PolarHBondContact N-O 3.38Å; D1090-G1098 VanDerWaalsContact CG-N 3.3Å; D1090-G1098 PolarHBondContact N-O 3Å; D1090-G1098 PolarHBondContact OD1-N 2.86Å; D1090-G1098 VanDerWaalsContact OD1-N 3.07Å; D1090-G1098 PolarHBondContact OD2-N 2.79Å; D1090-G1098 VanDerWaalsContact OD2-N 3.11Å; G1098-R1122 WeakPolarHBondContact CA-O 3.32Å |
| 1099 | T | 92.2 | Very high | 81.9 | Confident | 53 Ų | 53 | 47 Ų | 47 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 148.9 | -173.8 | 67.8 | 0 | 0 | 0 | 0 | 110.6 | P1087 A1121 R1122 | P1087-T1099 VanDerWaalsContact O-CG2 3.28Å; P1087-T1099 WeakPolarHBondContact O-CG2 3.42Å; T1099-A1121 WeakPolarHBondContact O-CA 3.43Å; T1099-A1121 WeakPolarHBondContact O-CB 3.43Å; T1099-R1122 PolarHBondContact N-O 3.08Å; T1099-R1122 PolarHBondContact O-N 3.38Å |
| 1100 | A | 91 | Very high | 81.2 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 121.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1086 L1089 T1120 A1121 | A1086-A1100 CarbonylContact C-O 3.58Å; A1086-A1100 WeakPolarHBondContact CA-O 3.48Å; A1086-A1100 VanDerWaalsContact CB-O 3.26Å; A1086-A1100 WeakPolarHBondContact CB-O 3.32Å; A1086-A1100 PolarHBondContact N-O 2.94Å; A1086-A1100 CarbonylContact O-C 3.33Å; A1086-A1100 PolarHBondContact O-N 2.72Å; L1089-A1100 HydrophobicContact CD1-CB 3.66Å; L1089-A1100 HydrophobicContact CD2-CB 4.22Å; L1089-A1100 HydrophobicContact CG-CB 3.97Å; A1100-T1120 WeakPolarHBondContact CA-O 3.38Å; A1100-A1121 HydrophobicContact CB-CB 4.33Å |
| 1101 | K | 89.3 | Confident | 81.1 | Confident | 130 Ų | 130 | 54.1 Ų | 54.1 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.9 | 174.5 | -169 | 167.3 | -173.3 | 161.9 | 0 | 110.4 | N1085 I1119 T1120 | N1085-K1101 VanDerWaalsContact OD1-CE 3.25Å; N1085-K1101 WeakPolarHBondContact OD1-CE 3.37Å; N1085-K1101 PolarHBondContact OD1-NZ 3.42Å; K1101-I1119 WeakPolarHBondContact O-CA 3.43Å; K1101-T1120 PolarHBondContact N-O 3.41Å; K1101-T1120 PolarHBondContact O-N 3.36Å |
| 1102 | G | 90.8 | Very high | 81.7 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | -176.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I1084 D1118 | I1084-G1102 CarbonylContact C-O 3.31Å; I1084-G1102 VanDerWaalsContact C-O 3.31Å; I1084-G1102 PolarHBondContact N-O 2.96Å; I1084-G1102 VanDerWaalsContact N-O 3.09Å; I1084-G1102 PolarHBondContact O-N 2.96Å; G1102-D1118 WeakPolarHBondContact CA-O 3.4Å |
| 1103 | L | 89.9 | Confident | 82.4 | Confident | 56 Ų | 56 | 54 Ų | 54 | 29% | 0.293 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 117.5 | -178.8 | 172.9 | 64.3 | 0 | 0 | 0 | 108 | T1083 K1105 L1116 A1117 D1118 | T1083-L1103 HydrophobicContact CG2-CD1 4.2Å; T1083-L1103 WeakPolarHBondContact OG1-CD1 3.33Å; L1103-K1105 HydrophobicContact CD1-CD 4.4Å; L1103-K1105 HydrophobicContact CD1-CG 3.98Å; L1103-K1105 HydrophobicContact CD2-CD 4.03Å; L1103-K1105 HydrophobicContact CD2-CG 4.36Å; L1103-K1105 HydrophobicContact CG-CD 4.29Å; L1103-K1105 HydrophobicContact CG-CG 4.06Å; L1103-L1116 CarbonylContact O-C 3.1Å; L1103-A1117 WeakPolarHBondContact O-CA 3.33Å; L1103-D1118 PolarHBondContact N-O 3.24Å |
| 1104 | V | 89 | Confident | 83.4 | Confident | 30 Ų | 30 | 51.7 Ų | 51.7 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 117.2 | 170.3 | 178.9 | 0 | 0 | 0 | 0 | 108 | A1082 I1084 L1115 L1116 I1119 | A1082-V1104 CarbonylContact C-O 3.32Å; A1082-V1104 HydrophobicContact CB-CB 4.07Å; A1082-V1104 HydrophobicContact CB-CG1 4.41Å; A1082-V1104 PolarHBondContact N-O 2.85Å; A1082-V1104 CarbonylContact O-C 3.55Å; A1082-V1104 WeakPolarHBondContact O-CA 3.23Å; A1082-V1104 WeakPolarHBondContact O-CB 3.41Å; A1082-V1104 PolarHBondContact O-N 2.95Å; I1084-V1104 HydrophobicContact CD1-CG2 3.89Å; V1104-L1115 HydrophobicContact CG1-CD1 3.99Å; V1104-L1116 WeakPolarHBondContact CA-O 3.41Å; V1104-I1119 HydrophobicContact CG2-CD1 4.03Å |
| 1105 | K | 89.9 | Confident | 84.5 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.6 | 172.2 | -75.2 | 176.8 | 169.1 | 168.2 | 0 | 108.9 | L1103 R1107 Q1114 L1115 L1116 | L1103-K1105 HydrophobicContact CD1-CD 4.4Å; L1103-K1105 HydrophobicContact CD1-CG 3.98Å; L1103-K1105 HydrophobicContact CD2-CD 4.03Å; L1103-K1105 HydrophobicContact CD2-CG 4.36Å; L1103-K1105 HydrophobicContact CG-CD 4.29Å; L1103-K1105 HydrophobicContact CG-CG 4.06Å; K1105-R1107 HydrophobicContact CB-CG 4.21Å; K1105-Q1114 VanDerWaalsContact O-O 3.09Å; K1105-L1115 WeakPolarHBondContact O-CA 3.49Å; K1105-L1116 HydrophobicContact CB-CB 4.3Å; K1105-L1116 HydrophobicContact CD-CD1 4.24Å; K1105-L1116 PolarHBondContact N-O 3.05Å; K1105-L1116 VanDerWaalsContact N-O 3.17Å; K1105-L1116 PolarHBondContact O-N 3.38Å |
| 1106 | V | 87.1 | Confident | 85.4 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 125.7 | 159.1 | -168.6 | 0 | 0 | 0 | 0 | 106.6 | L1078 L1080 | L1078-V1106 HydrophobicContact CB-CG1 3.94Å; L1078-V1106 HydrophobicContact CD1-CG1 4.14Å; L1080-V1106 HydrophobicContact CB-CB 4.18Å; L1080-V1106 HydrophobicContact CB-CG2 4.3Å; L1080-V1106 PolarHBondContact O-N 2.92Å; L1080-V1106 VanDerWaalsContact O-N 3.14Å |
| 1107 | R | 88.5 | Confident | 85.6 | Confident | 61 Ų | 61 | 51.5 Ų | 51.5 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 155.4 | -177.5 | -71.8 | -64.1 | -178.7 | -83.5 | 10.2 | 111.4 | D1081 K1105 P1113 Q1114 | D1081-R1107 IonicContact OD1-CZ 2.72Å; D1081-R1107 IonicContact OD1-NH1 2.77Å; D1081-R1107 PolarHBondContact OD1-NH1 2.77Å; D1081-R1107 IonicContact OD1-NH2 3.15Å; D1081-R1107 PolarHBondContact OD1-NH2 3.2Å; D1081-R1107 IonicContact OD2-NH2 3.55Å; D1081-R1107 PolarHBondContact OD2-NH2 3.38Å; D1081-R1107 VanDerWaalsContact OD2-NH2 3.08Å; K1105-R1107 HydrophobicContact CB-CG 4.21Å; R1107-P1113 CarbonylContact O-C 3.49Å; R1107-P1113 VanDerWaalsContact O-CA 3.25Å; R1107-P1113 WeakPolarHBondContact O-CA 3.43Å; R1107-Q1114 HydrophobicContact CB-CB 4.26Å; R1107-Q1114 PolarHBondContact N-O 3.4Å; R1107-Q1114 PolarHBondContact O-N 3.23Å |
| 1108 | G | 83.1 | Confident | 85.9 | Confident | 48 Ų | 48 | 55.5 Ų | 55.5 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 98.8 | -163.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1078 | L1078-G1108 PolarHBondContact N-O 3.36Š|
| 1109 | T | 74.1 | Confident | 85.8 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 27% | 0.27 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -86.3 | -178.2 | 168.6 | 59.8 | 0 | 0 | 0 | 0 | 109.9 | E1111 A1112 | T1109-E1111 PolarHBondContact O-N 3.07Å; T1109-E1111 WeakPolarHBondContact OG1-CB 3.4Å; T1109-E1111 PolarHBondContact OG1-N 2.81Å; T1109-E1111 VanDerWaalsContact OG1-N 3.14Å; T1109-E1111 PolarHBondContact OG1-OE2 2.79Å; T1109-A1112 PolarHBondContact OG1-N 3.11Å |
| 1110 | V | 68.9 | Low | 85.9 | Confident | 70 Ų | 70 | 56 Ų | 56 | 42% | 0.424 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -56.5 | -25.2 | 164.4 | -176 | 0 | 0 | 0 | 0 | 111.6 | L1078 | L1078-V1110 HydrophobicContact CD1-CB 4.44Å; L1078-V1110 HydrophobicContact CD1-CG2 4.4Å; L1078-V1110 HydrophobicContact CD2-CG2 4.08Å; L1078-V1110 HydrophobicContact CG-CB 4.28Å; L1078-V1110 HydrophobicContact CG-CG2 3.78Å |
| 1111 | E | 67.9 | Low | 85.9 | Confident | 166 Ų | 166 | 55.6 Ų | 55.6 | 78% | 0.776 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -89.6 | -30.9 | -171.4 | -47 | 152.4 | 131.9 | 0 | 0 | 113.1 | T1109 | T1109-E1111 PolarHBondContact O-N 3.07Å; T1109-E1111 WeakPolarHBondContact OG1-CB 3.4Å; T1109-E1111 PolarHBondContact OG1-N 2.81Å; T1109-E1111 VanDerWaalsContact OG1-N 3.14Å; T1109-E1111 PolarHBondContact OG1-OE2 2.79Å |
| 1112 | A | 77.6 | Confident | 86.1 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -126.5 | 56.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1109 Q1114 S1142 | T1109-A1112 PolarHBondContact OG1-N 3.11Å; A1112-Q1114 PolarHBondContact O-N 2.87Å; A1112-S1142 CarbonylContact C-O 3.6Å; A1112-S1142 WeakPolarHBondContact CA-O 3.34Å |
| 1113 | P | 86.3 | Confident | 86.1 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 31% | 0.312 | 32% | 0.318 | S | S | . | . | trans | -70.1 | 123 | -175.8 | 27.7 | -34.8 | 0 | 0 | 0 | 112.6 | R1107 S1142 | R1107-P1113 CarbonylContact O-C 3.49Å; R1107-P1113 VanDerWaalsContact O-CA 3.25Å; R1107-P1113 WeakPolarHBondContact O-CA 3.43Å; P1113-S1142 WeakPolarHBondContact O-CB 3.48Å; P1113-S1142 PolarHBondContact O-N 3.23Å; P1113-S1142 VanDerWaalsContact O-N 3.07Å | ||
| 1114 | Q | 88.4 | Confident | 86.1 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.2 | 159.5 | 176.9 | -177.5 | 16 | 0 | 0 | 109.3 | K1105 R1107 A1112 L1116 D1139 I1140 K1141 | K1105-Q1114 VanDerWaalsContact O-O 3.09Å; R1107-Q1114 HydrophobicContact CB-CB 4.26Å; R1107-Q1114 PolarHBondContact N-O 3.4Å; R1107-Q1114 PolarHBondContact O-N 3.23Å; A1112-Q1114 PolarHBondContact O-N 2.87Å; Q1114-L1116 HydrophobicContact CG-CG 4.19Å; Q1114-L1116 VanDerWaalsContact NE2-CD2 3.31Å; Q1114-D1139 PolarHBondContact NE2-OD1 2.8Å; Q1114-I1140 CarbonylContact C-O 3.59Å; Q1114-I1140 WeakPolarHBondContact CA-O 3.41Å; Q1114-K1141 HydrophobicContact CB-CG 4.49Å; Q1114-K1141 HydrophobicContact CG-CB 4.46Å; Q1114-K1141 HydrophobicContact CG-CG 3.74Å; Q1114-K1141 VanDerWaalsContact NE2-CE 3.25Å; Q1114-K1141 VanDerWaalsContact NE2-CG 3.34Å |
| 1115 | L | 87.9 | Confident | 86.1 | Confident | 76 Ų | 76 | 61.7 Ų | 61.7 | 40% | 0.398 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 116.9 | 167.8 | -179.4 | 63.1 | 0 | 0 | 0 | 109.3 | V1104 K1105 I1140 | V1104-L1115 HydrophobicContact CG1-CD1 3.99Å; K1105-L1115 WeakPolarHBondContact O-CA 3.49Å; L1115-I1140 HydrophobicContact CB-CB 4.44Å; L1115-I1140 PolarHBondContact N-O 3.4Å; L1115-I1140 PolarHBondContact O-N 3.43Å |
| 1116 | L | 90.4 | Very high | 85.8 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.6 | 166.9 | -67.9 | 172.1 | 0 | 0 | 0 | 109 | L1103 V1104 K1105 Q1114 D1139 | L1103-L1116 CarbonylContact O-C 3.1Å; V1104-L1116 WeakPolarHBondContact CA-O 3.41Å; K1105-L1116 HydrophobicContact CB-CB 4.3Å; K1105-L1116 HydrophobicContact CD-CD1 4.24Å; K1105-L1116 PolarHBondContact N-O 3.05Å; K1105-L1116 VanDerWaalsContact N-O 3.17Å; K1105-L1116 PolarHBondContact O-N 3.38Å; Q1114-L1116 HydrophobicContact CG-CG 4.19Å; Q1114-L1116 VanDerWaalsContact NE2-CD2 3.31Å; L1116-D1139 HydrophobicContact CD2-CB 4Å; L1116-D1139 WeakPolarHBondContact CD2-OD1 3.36Å |
| 1117 | A | 88.4 | Confident | 85.5 | Confident | 15 Ų | 15 | 71 Ų | 71 | 12% | 0.124 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 84.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1103 I1119 G1138 | L1103-A1117 WeakPolarHBondContact O-CA 3.33Å; A1117-I1119 HydrophobicContact CB-CD1 4.34Å; A1117-I1119 HydrophobicContact CB-CG1 4.45Å; A1117-G1138 CarbonylContact C-O 3.47Å; A1117-G1138 PolarHBondContact N-O 2.67Å; A1117-G1138 WeakPolarHBondContact O-CA 3.2Å; A1117-G1138 PolarHBondContact O-N 2.62Å |
| 1118 | D | 90.9 | Very high | 85.1 | Confident | 84 Ų | 84 | 74.8 Ų | 74.8 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 110.4 | 156.7 | -178.5 | 0.4 | 0 | 0 | 0 | 106.4 | G1102 L1103 R1135 | G1102-D1118 WeakPolarHBondContact CA-O 3.4Å; L1103-D1118 PolarHBondContact N-O 3.24Å; D1118-R1135 IonicContact OD1-CZ 2.71Å; D1118-R1135 IonicContact OD1-NH1 3.19Å; D1118-R1135 PolarHBondContact OD1-NH1 3.3Å; D1118-R1135 IonicContact OD1-NH2 2.79Å |
| 1119 | I | 89.8 | Confident | 85.4 | Confident | 56 Ų | 56 | 75.4 Ų | 75.4 | 29% | 0.287 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 122.2 | -179.9 | -56 | 176.4 | 0 | 0 | 0 | 108.1 | K1101 V1104 A1117 V1136 | K1101-I1119 WeakPolarHBondContact O-CA 3.43Å; V1104-I1119 HydrophobicContact CG2-CD1 4.03Å; A1117-I1119 HydrophobicContact CB-CD1 4.34Å; A1117-I1119 HydrophobicContact CB-CG1 4.45Å; I1119-V1136 HydrophobicContact CB-CB 4.43Å; I1119-V1136 PolarHBondContact N-O 2.74Å; I1119-V1136 PolarHBondContact O-N 3.25Å; I1119-V1136 VanDerWaalsContact O-O 3.08Å |
| 1120 | T | 94.2 | Very high | 86.3 | Confident | 18 Ų | 18 | 75.8 Ų | 75.8 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.6 | 172.6 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | A1100 K1101 R1122 R1135 | A1100-T1120 WeakPolarHBondContact CA-O 3.38Å; K1101-T1120 PolarHBondContact N-O 3.41Å; K1101-T1120 PolarHBondContact O-N 3.36Å; T1120-R1122 HydrophobicContact CG2-CG 4.3Å; T1120-R1135 PolarHBondContact OG1-NH1 2.94Å |
| 1121 | A | 91.1 | Very high | 87.6 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 7% | 0.066 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 145.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112 | T1099 A1100 L1124 V1134 | T1099-A1121 WeakPolarHBondContact O-CA 3.43Å; T1099-A1121 WeakPolarHBondContact O-CB 3.43Å; A1100-A1121 HydrophobicContact CB-CB 4.33Å; A1121-L1124 HydrophobicContact CB-CD1 3.71Å; A1121-L1124 HydrophobicContact CB-CD2 4.02Å; A1121-L1124 HydrophobicContact CB-CG 3.85Å; A1121-V1134 CarbonylContact C-O 3.59Å; A1121-V1134 HydrophobicContact CB-CB 4.43Å; A1121-V1134 PolarHBondContact N-O 2.82Å; A1121-V1134 CarbonylContact O-C 3.56Å; A1121-V1134 PolarHBondContact O-N 2.78Å |
| 1122 | R | 93.8 | Very high | 88.8 | Confident | 140 Ų | 140 | 67.8 Ų | 67.8 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 142.4 | -172.5 | -74.8 | 179.3 | 177.9 | 146.3 | 2.7 | 110.2 | G1098 T1099 T1120 L1124 Q1133 | G1098-R1122 WeakPolarHBondContact CA-O 3.32Å; T1099-R1122 PolarHBondContact N-O 3.08Å; T1099-R1122 PolarHBondContact O-N 3.38Å; T1120-R1122 HydrophobicContact CG2-CG 4.3Å; R1122-L1124 PolarHBondContact O-N 3.17Å; R1122-Q1133 HydrophobicContact CG-CG 4.01Å |
| 1123 | G | 90.2 | Very high | 89.6 | Confident | 38 Ų | 38 | 67.6 Ų | 67.6 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 60.1 | 35.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1097 R1125 A1132 | G1097-G1123 CarbonylContact C-O 3.51Å; G1123-R1125 PolarHBondContact O-N 2.85Å; G1123-A1132 PolarHBondContact N-O 3.33Å |
| 1124 | L | 91.7 | Very high | 90.1 | Very high | 41 Ų | 41 | 66.8 Ų | 66.8 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 128.5 | 177.9 | -74.1 | -176.3 | 0 | 0 | 0 | 108.9 | L1089 L1096 A1121 R1122 V1131 V1134 | L1089-L1124 HydrophobicContact CD1-CD2 3.82Å; L1096-L1124 HydrophobicContact CD1-CD2 4.41Å; A1121-L1124 HydrophobicContact CB-CD1 3.71Å; A1121-L1124 HydrophobicContact CB-CD2 4.02Å; A1121-L1124 HydrophobicContact CB-CG 3.85Å; R1122-L1124 PolarHBondContact O-N 3.17Å; L1124-V1131 HydrophobicContact CB-CB 4.21Å; L1124-V1131 PolarHBondContact N-O 3.49Å; L1124-V1131 CarbonylContact O-C 3.47Å; L1124-V1131 PolarHBondContact O-N 2.76Å; L1124-V1134 HydrophobicContact CD1-CB 4.27Å; L1124-V1134 HydrophobicContact CD1-CG2 3.83Å |
| 1125 | R | 88.3 | Confident | 90.4 | Very high | 141 Ų | 141 | 68.2 Ų | 68.2 | 53% | 0.532 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 137.5 | -178.1 | 53.2 | -175.8 | 173.5 | 148 | 2.5 | 107.2 | D1090 L1096 G1097 G1123 | D1090-R1125 IonicContact OD1-CZ 2.75Å; D1090-R1125 IonicContact OD1-NE 2.62Å; D1090-R1125 IonicContact OD1-NH2 2.67Å; D1090-R1125 PolarHBondContact OD1-NH2 3.29Å; L1096-R1125 WeakPolarHBondContact CA-O 3.41Å; G1097-R1125 PolarHBondContact N-O 3.04Å; G1123-R1125 PolarHBondContact O-N 2.85Å |
| 1126 | W | 84 | Confident | 90.6 | Very high | 138 Ų | 138 | 66.3 Ų | 66.3 | 52% | 0.523 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 110.4 | 172.8 | -178.4 | 61.7 | 0 | 0 | 0 | 108 | E1128 L1129 | W1126-E1128 PolarHBondContact O-N 3.26Å; W1126-L1129 PolarHBondContact N-O 2.85Å; W1126-L1129 WeakPolarHBondContact O-CB 3.47Å; W1126-L1129 PolarHBondContact O-N 2.86Å |
| 1127 | Q | 80.4 | Confident | 90.6 | Very high | 159 Ų | 159 | 66.6 Ų | 66.6 | 74% | 0.743 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | -130.9 | -170 | -54.5 | 176.2 | -16.8 | 0 | 0 | 110.6 | ||
| 1128 | E | 80 | Confident | 90.6 | Very high | 141 Ų | 141 | 66.4 Ų | 66.4 | 66% | 0.659 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -22.1 | 175.5 | -58.7 | -168.8 | 167.2 | 0 | 0 | 113.3 | W1126 S1130 P1160 | W1126-E1128 PolarHBondContact O-N 3.26Å; E1128-S1130 PolarHBondContact O-N 2.76Å; E1128-S1130 VanDerWaalsContact O-N 3.08Å; E1128-P1160 WeakPolarHBondContact OE2-CD 3.29Å; E1128-P1160 VanDerWaalsContact OE2-CG 3.27Å; E1128-P1160 WeakPolarHBondContact OE2-CG 3.26Å |
| 1129 | L | 89.7 | Confident | 90.6 | Very high | 60 Ų | 60 | 64.7 Ų | 64.7 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 111 | 177.6 | 179.2 | 62.7 | 0 | 0 | 0 | 109.6 | W1126 V1131 I1157 S1158 Q1159 | W1126-L1129 PolarHBondContact N-O 2.85Å; W1126-L1129 WeakPolarHBondContact O-CB 3.47Å; W1126-L1129 PolarHBondContact O-N 2.86Å; L1129-V1131 HydrophobicContact CD1-CG2 4.4Å; L1129-I1157 HydrophobicContact CD1-CG2 4.01Å; L1129-S1158 WeakPolarHBondContact CA-O 3.47Å; L1129-Q1159 HydrophobicContact CD1-CB 4.45Å |
| 1130 | S | 93.1 | Very high | 90.4 | Very high | 52 Ų | 52 | 64.8 Ų | 64.8 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.8 | 175.4 | 48.2 | 0 | 0 | 0 | 0 | 110.6 | E1128 Q1156 I1157 S1158 | E1128-S1130 PolarHBondContact O-N 2.76Å; E1128-S1130 VanDerWaalsContact O-N 3.08Å; S1130-Q1156 CarbonylContact C-O 3.5Å; S1130-I1157 WeakPolarHBondContact O-CA 3.43Å; S1130-S1158 PolarHBondContact N-O 2.8Å; S1130-S1158 VanDerWaalsContact N-O 3.17Å; S1130-S1158 PolarHBondContact O-N 2.9Å |
| 1131 | V | 94.7 | Very high | 89.9 | Confident | 18 Ų | 18 | 67.6 Ų | 67.6 | 11% | 0.109 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 104.4 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | L1124 L1129 Q1133 V1134 V1154 E1155 Q1156 I1157 | L1124-V1131 HydrophobicContact CB-CB 4.21Å; L1124-V1131 PolarHBondContact N-O 3.49Å; L1124-V1131 CarbonylContact O-C 3.47Å; L1124-V1131 PolarHBondContact O-N 2.76Å; L1129-V1131 HydrophobicContact CD1-CG2 4.4Å; V1131-Q1133 VanDerWaalsContact C-N 3.29Å; V1131-Q1133 PolarHBondContact O-N 2.88Å; V1131-V1134 HydrophobicContact CG1-CG2 3.57Å; V1131-V1154 HydrophobicContact CG1-CG1 3.5Å; V1131-E1155 CarbonylContact C-O 3.5Å; V1131-Q1156 WeakPolarHBondContact CA-O 3.45Å; V1131-I1157 HydrophobicContact CG2-CG1 4.39Å; V1131-I1157 HydrophobicContact CG2-CG2 4.33Å |
| 1132 | A | 93.7 | Very high | 89.4 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | -38.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1123 E1155 Q1156 | G1123-A1132 PolarHBondContact N-O 3.33Å; A1132-E1155 HydrophobicContact CB-CB 4.3Å; A1132-E1155 PolarHBondContact N-O 2.77Å; A1132-Q1156 HydrophobicContact CB-CB 3.91Å; A1132-Q1156 HydrophobicContact CB-CG 4.2Å |
| 1133 | Q | 95.7 | Very high | 88.3 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 143.6 | 175.6 | -174.9 | 166.9 | -111.4 | 0 | 0 | 111.9 | R1122 V1131 V1154 E1155 | R1122-Q1133 HydrophobicContact CG-CG 4.01Å; V1131-Q1133 VanDerWaalsContact C-N 3.29Å; V1131-Q1133 PolarHBondContact O-N 2.88Å; Q1133-V1154 WeakPolarHBondContact O-CA 3.35Å; Q1133-E1155 HydrophobicContact CB-CB 4.34Å; Q1133-E1155 HydrophobicContact CB-CG 4.39Å; Q1133-E1155 WeakPolarHBondContact CB-OE2 3.49Å; Q1133-E1155 PolarHBondContact NE2-OE2 2.9Å; Q1133-E1155 PolarHBondContact O-N 2.83Å |
| 1134 | V | 95.7 | Very high | 87.5 | Confident | 32 Ų | 32 | 71 Ų | 71 | 19% | 0.194 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 116.1 | 165.3 | 178 | 0 | 0 | 0 | 0 | 108.5 | A1121 L1124 V1131 V1136 R1153 V1154 | A1121-V1134 CarbonylContact C-O 3.59Å; A1121-V1134 HydrophobicContact CB-CB 4.43Å; A1121-V1134 PolarHBondContact N-O 2.82Å; A1121-V1134 CarbonylContact O-C 3.56Å; A1121-V1134 PolarHBondContact O-N 2.78Å; L1124-V1134 HydrophobicContact CD1-CB 4.27Å; L1124-V1134 HydrophobicContact CD1-CG2 3.83Å; V1131-V1134 HydrophobicContact CG1-CG2 3.57Å; V1134-V1136 HydrophobicContact CG1-CG2 4.05Å; V1134-R1153 WeakPolarHBondContact CA-O 3.42Å; V1134-V1154 HydrophobicContact CG2-CG1 4.18Å; V1134-V1154 HydrophobicContact CG2-CG2 4.38Å |
| 1135 | R | 94.9 | Very high | 86.8 | Confident | 77 Ų | 77 | 71.6 Ų | 71.6 | 29% | 0.291 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.5 | 167.2 | -176.4 | 162.2 | 173.2 | 81.8 | -1.7 | 109.5 | D1118 T1120 E1137 V1152 R1153 | D1118-R1135 IonicContact OD1-CZ 2.71Å; D1118-R1135 IonicContact OD1-NH1 3.19Å; D1118-R1135 PolarHBondContact OD1-NH1 3.3Å; D1118-R1135 IonicContact OD1-NH2 2.79Å; T1120-R1135 PolarHBondContact OG1-NH1 2.94Å; R1135-E1137 HydrophobicContact CG-CG 4.35Å; R1135-E1137 IonicContact CZ-OE1 3.87Å; R1135-E1137 IonicContact NE-OE1 2.64Å; R1135-E1137 PolarHBondContact NE-OE1 3.32Å; R1135-E1137 IonicContact NH2-OE1 3.11Å; R1135-E1137 PolarHBondContact NH2-OE1 2.9Å; R1135-E1137 IonicContact NH2-OE2 3.98Å; R1135-V1152 VanDerWaalsContact O-CA 3.3Å; R1135-V1152 WeakPolarHBondContact O-CA 3.44Å; R1135-R1153 PolarHBondContact N-O 2.98Å; R1135-R1153 PolarHBondContact O-N 2.81Å |
| 1136 | V | 92.6 | Very high | 86.6 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 22% | 0.218 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 109.3 | 176.6 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | I1119 V1134 L1150 D1151 V1152 | I1119-V1136 HydrophobicContact CB-CB 4.43Å; I1119-V1136 PolarHBondContact N-O 2.74Å; I1119-V1136 PolarHBondContact O-N 3.25Å; I1119-V1136 VanDerWaalsContact O-O 3.08Å; V1134-V1136 HydrophobicContact CG1-CG2 4.05Å; V1136-L1150 HydrophobicContact CG1-CD1 3.93Å; V1136-D1151 WeakPolarHBondContact CA-O 3.39Å; V1136-V1152 HydrophobicContact CG1-CG2 4.21Å; V1136-V1152 HydrophobicContact CG2-CG1 4.37Å; V1136-V1152 HydrophobicContact CG2-CG2 4.21Å |
| 1137 | E | 90.7 | Very high | 86.7 | Confident | 55 Ų | 55 | 63.6 Ų | 63.6 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 108.3 | 170.7 | -68.2 | -177.6 | -138.1 | 0 | 0 | 110.4 | R1135 K1149 L1150 D1151 | R1135-E1137 HydrophobicContact CG-CG 4.35Å; R1135-E1137 IonicContact CZ-OE1 3.87Å; R1135-E1137 IonicContact NE-OE1 2.64Å; R1135-E1137 PolarHBondContact NE-OE1 3.32Å; R1135-E1137 IonicContact NH2-OE1 3.11Å; R1135-E1137 PolarHBondContact NH2-OE1 2.9Å; R1135-E1137 IonicContact NH2-OE2 3.98Å; E1137-K1149 IonicContact OE2-NZ 3.87Å; E1137-K1149 PolarHBondContact OE2-NZ 3.03Å; E1137-L1150 VanDerWaalsContact O-CA 3.23Å; E1137-L1150 WeakPolarHBondContact O-CA 3.29Å; E1137-D1151 HydrophobicContact CB-CB 4.33Å; E1137-D1151 PolarHBondContact N-O 3.49Å; E1137-D1151 PolarHBondContact O-N 3.16Å |
| 1138 | G | 88 | Confident | 87.1 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 120.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1117 K1149 | A1117-G1138 CarbonylContact C-O 3.47Å; A1117-G1138 PolarHBondContact N-O 2.67Å; A1117-G1138 WeakPolarHBondContact O-CA 3.2Å; A1117-G1138 PolarHBondContact O-N 2.62Å; G1138-K1149 WeakPolarHBondContact CA-O 3.42Å |
| 1139 | D | 89.3 | Confident | 87.7 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 26% | 0.262 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 102.9 | 160.7 | 173.4 | 18.4 | 0 | 0 | 0 | 106.8 | Q1114 L1116 K1141 G1148 K1149 | Q1114-D1139 PolarHBondContact NE2-OD1 2.8Å; L1116-D1139 HydrophobicContact CD2-CB 4Å; L1116-D1139 WeakPolarHBondContact CD2-OD1 3.36Å; D1139-K1141 VanDerWaalsContact CG-NZ 3.32Å; D1139-K1141 WeakPolarHBondContact OD1-CE 3.4Å; D1139-K1141 IonicContact OD1-NZ 3.31Å; D1139-K1141 PolarHBondContact OD1-NZ 2.93Å; D1139-K1141 IonicContact OD2-NZ 3.47Å; D1139-K1141 PolarHBondContact OD2-NZ 2.83Å; D1139-G1148 WeakPolarHBondContact O-CA 3.26Å; D1139-K1149 PolarHBondContact N-O 2.79Å; D1139-K1149 PolarHBondContact O-N 2.78Å |
| 1140 | I | 87.2 | Confident | 87.7 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 30% | 0.297 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 100 | -170.1 | -56.8 | 171.3 | 0 | 0 | 0 | 108.3 | Q1114 L1115 I1146 | Q1114-I1140 CarbonylContact C-O 3.59Å; Q1114-I1140 WeakPolarHBondContact CA-O 3.41Å; L1115-I1140 HydrophobicContact CB-CB 4.44Å; L1115-I1140 PolarHBondContact N-O 3.4Å; L1115-I1140 PolarHBondContact O-N 3.43Å; I1140-I1146 HydrophobicContact CG2-CG2 4.09Å |
| 1141 | K | 83.6 | Confident | 87.6 | Confident | 77 Ų | 77 | 53.9 Ų | 53.9 | 34% | 0.335 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 99.6 | -174.8 | -76.2 | 158.3 | 177.4 | 143 | 0 | 111.6 | Q1114 D1139 T1143 I1146 A1147 | Q1114-K1141 HydrophobicContact CB-CG 4.49Å; Q1114-K1141 HydrophobicContact CG-CB 4.46Å; Q1114-K1141 HydrophobicContact CG-CG 3.74Å; Q1114-K1141 VanDerWaalsContact NE2-CE 3.25Å; Q1114-K1141 VanDerWaalsContact NE2-CG 3.34Å; D1139-K1141 VanDerWaalsContact CG-NZ 3.32Å; D1139-K1141 WeakPolarHBondContact OD1-CE 3.4Å; D1139-K1141 IonicContact OD1-NZ 3.31Å; D1139-K1141 PolarHBondContact OD1-NZ 2.93Å; D1139-K1141 IonicContact OD2-NZ 3.47Å; D1139-K1141 PolarHBondContact OD2-NZ 2.83Å; K1141-T1143 HydrophobicContact CB-CG2 4.08Å; K1141-T1143 PolarHBondContact O-N 3.24Å; K1141-I1146 VanDerWaalsContact O-CA 3.25Å; K1141-I1146 WeakPolarHBondContact O-CA 3.43Å; K1141-A1147 PolarHBondContact N-O 2.86Å; K1141-A1147 VanDerWaalsContact N-O 3.13Å; K1141-A1147 PolarHBondContact O-N 2.83Å |
| 1142 | S | 79.7 | Confident | 87.6 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 78.4 | 167.1 | -161 | 0 | 0 | 0 | 0 | 110.4 | A1112 P1113 R1201 | A1112-S1142 CarbonylContact C-O 3.6Å; A1112-S1142 WeakPolarHBondContact CA-O 3.34Å; P1113-S1142 WeakPolarHBondContact O-CB 3.48Å; P1113-S1142 PolarHBondContact O-N 3.23Å; P1113-S1142 VanDerWaalsContact O-N 3.07Å; S1142-R1201 PolarHBondContact OG-NH2 2.72Å |
| 1143 | T | 71.9 | Confident | 87.7 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 52% | 0.515 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -99.4 | -130.7 | 176.5 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | K1141 Q1145 R1201 | K1141-T1143 HydrophobicContact CB-CG2 4.08Å; K1141-T1143 PolarHBondContact O-N 3.24Å; T1143-Q1145 PolarHBondContact N-O 2.8Å; T1143-Q1145 PolarHBondContact O-N 2.75Å; T1143-Q1145 PolarHBondContact OG1-O 3.29Å; T1143-R1201 PolarHBondContact O-NH1 2.86Å |
| 1144 | D | 72.7 | Confident | 87.7 | Confident | 152 Ų | 152 | 56.2 Ų | 56.2 | 81% | 0.813 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -62.5 | -23.2 | 167.5 | -76.2 | -23.3 | 0 | 0 | 0 | 112.4 | R1201 | D1144-R1201 VanDerWaalsContact C-NH1 3.32Å; D1144-R1201 WeakPolarHBondContact O-CD 3.5Å; D1144-R1201 PolarHBondContact O-NE 2.81Å; D1144-R1201 PolarHBondContact O-NH1 2.69Å; D1144-R1201 VanDerWaalsContact O-NH1 3.16Å |
| 1145 | Q | 77 | Confident | 87.7 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -145.2 | 145 | 169.8 | -76.1 | 172.4 | 55.2 | 0 | 0 | 108.5 | T1143 A1147 E1175 K1176 | T1143-Q1145 PolarHBondContact N-O 2.8Å; T1143-Q1145 PolarHBondContact O-N 2.75Å; T1143-Q1145 PolarHBondContact OG1-O 3.29Å; Q1145-A1147 PolarHBondContact O-N 3.46Å; Q1145-E1175 WeakPolarHBondContact CA-OE2 3.48Å; Q1145-E1175 HydrophobicContact CB-CB 4.16Å; Q1145-E1175 HydrophobicContact CB-CG 4.48Å; Q1145-E1175 WeakPolarHBondContact CB-OE2 3.47Å; Q1145-E1175 HydrophobicContact CG-CB 4.28Å; Q1145-E1175 WeakPolarHBondContact CG-OE2 3.42Å; Q1145-K1176 VanDerWaalsContact OE1-CG 3.29Å |
| 1146 | I | 83.3 | Confident | 87.7 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 39% | 0.39 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 121.5 | 158.3 | -67.4 | 163.7 | 0 | 0 | 0 | 107.2 | I1140 K1141 E1175 | I1140-I1146 HydrophobicContact CG2-CG2 4.09Å; K1141-I1146 VanDerWaalsContact O-CA 3.25Å; K1141-I1146 WeakPolarHBondContact O-CA 3.43Å; I1146-E1175 HydrophobicContact CB-CG 3.88Å; I1146-E1175 VanDerWaalsContact CB-OE1 3.29Å; I1146-E1175 WeakPolarHBondContact CB-OE1 3.19Å; I1146-E1175 WeakPolarHBondContact CG1-OE1 3.38Å; I1146-E1175 PolarHBondContact N-OE1 2.88Å; I1146-E1175 WeakPolarHBondContact O-CG 3.32Å; I1146-E1175 PolarHBondContact O-N 3.1Å |
| 1147 | A | 86.8 | Confident | 87.8 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 28% | 0.281 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 148.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | K1141 Q1145 | K1141-A1147 PolarHBondContact N-O 2.86Å; K1141-A1147 VanDerWaalsContact N-O 3.13Å; K1141-A1147 PolarHBondContact O-N 2.83Å; Q1145-A1147 PolarHBondContact O-N 3.46Å |
| 1148 | G | 88.9 | Confident | 87.8 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 32% | 0.32 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.6 | -166.7 | -171 | 0 | 0 | 0 | 0 | 0 | 117.3 | D1139 G1173 | D1139-G1148 WeakPolarHBondContact O-CA 3.26Å; G1148-G1173 PolarHBondContact N-O 3.3Å; G1148-G1173 PolarHBondContact O-N 2.91Å |
| 1149 | K | 91.6 | Very high | 87.9 | Confident | 79 Ų | 79 | 61.2 Ų | 61.2 | 34% | 0.343 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 150.5 | 161.7 | 68 | -177.2 | -157.2 | 111.3 | 0 | 108.5 | E1137 G1138 D1139 D1151 A1171 K1172 | E1137-K1149 IonicContact OE2-NZ 3.87Å; E1137-K1149 PolarHBondContact OE2-NZ 3.03Å; G1138-K1149 WeakPolarHBondContact CA-O 3.42Å; D1139-K1149 PolarHBondContact N-O 2.79Å; D1139-K1149 PolarHBondContact O-N 2.78Å; K1149-D1151 IonicContact NZ-OD2 3.79Å; K1149-D1151 PolarHBondContact NZ-OD2 3.48Å; K1149-A1171 CarbonylContact C-O 3.31Å; K1149-A1171 WeakPolarHBondContact CA-O 3.39Å; K1149-K1172 HydrophobicContact CB-CB 4.23Å |
| 1150 | L | 90.7 | Very high | 87.4 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 30% | 0.298 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 94.4 | 172 | 177 | 58.5 | 0 | 0 | 0 | 107.5 | V1136 E1137 V1152 A1171 | V1136-L1150 HydrophobicContact CG1-CD1 3.93Å; E1137-L1150 VanDerWaalsContact O-CA 3.23Å; E1137-L1150 WeakPolarHBondContact O-CA 3.29Å; L1150-V1152 HydrophobicContact CD1-CG2 3.7Å; L1150-V1152 HydrophobicContact CG-CG2 3.96Å; L1150-A1171 CarbonylContact C-O 3.53Å; L1150-A1171 HydrophobicContact CB-CB 4.37Å; L1150-A1171 PolarHBondContact N-O 2.84Å; L1150-A1171 PolarHBondContact O-N 3.06Å |
| 1151 | D | 92.1 | Very high | 87 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 22% | 0.219 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 109.7 | 174.5 | -66.2 | -65 | 0 | 0 | 0 | 109 | V1136 E1137 K1149 N1170 | V1136-D1151 WeakPolarHBondContact CA-O 3.39Å; E1137-D1151 HydrophobicContact CB-CB 4.33Å; E1137-D1151 PolarHBondContact N-O 3.49Å; E1137-D1151 PolarHBondContact O-N 3.16Å; K1149-D1151 IonicContact NZ-OD2 3.79Å; K1149-D1151 PolarHBondContact NZ-OD2 3.48Å; D1151-N1170 PolarHBondContact OD1-ND2 3.03Å |
| 1152 | V | 93 | Very high | 87 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 18% | 0.176 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.5 | 176.9 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | R1135 V1136 L1150 V1154 L1169 | R1135-V1152 VanDerWaalsContact O-CA 3.3Å; R1135-V1152 WeakPolarHBondContact O-CA 3.44Å; V1136-V1152 HydrophobicContact CG1-CG2 4.21Å; V1136-V1152 HydrophobicContact CG2-CG1 4.37Å; V1136-V1152 HydrophobicContact CG2-CG2 4.21Å; L1150-V1152 HydrophobicContact CD1-CG2 3.7Å; L1150-V1152 HydrophobicContact CG-CG2 3.96Å; V1152-V1154 HydrophobicContact CG1-CG2 4.2Å; V1152-L1169 HydrophobicContact CB-CB 4.24Å; V1152-L1169 PolarHBondContact N-O 2.74Å; V1152-L1169 PolarHBondContact O-N 3.34Å |
| 1153 | R | 97 | Very high | 87.6 | Confident | 103 Ų | 103 | 68.5 Ų | 68.5 | 39% | 0.389 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 123.4 | 177.4 | 177 | 170.3 | 176.1 | 92.8 | 5.8 | 110 | V1134 R1135 E1155 L1166 T1168 | V1134-R1153 WeakPolarHBondContact CA-O 3.42Å; R1135-R1153 PolarHBondContact N-O 2.98Å; R1135-R1153 PolarHBondContact O-N 2.81Å; R1153-E1155 HydrophobicContact CG-CG 4.23Å; R1153-E1155 IonicContact CZ-OE1 2.8Å; R1153-E1155 IonicContact NE-OE1 2.74Å; R1153-E1155 PolarHBondContact NE-OE1 2.73Å; R1153-E1155 IonicContact NH2-OE1 3.7Å; R1153-E1155 PolarHBondContact NH2-OE1 2.82Å; R1153-L1166 HydrophobicContact CG-CD1 4.38Å; R1153-T1168 HydrophobicContact CB-CG2 4.47Å; R1153-T1168 HydrophobicContact CG-CG2 4.09Å |
| 1154 | V | 95.4 | Very high | 88.6 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 15% | 0.152 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 120 | 180 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | V1131 Q1133 V1134 V1152 I1157 V1167 | V1131-V1154 HydrophobicContact CG1-CG1 3.5Å; Q1133-V1154 WeakPolarHBondContact O-CA 3.35Å; V1134-V1154 HydrophobicContact CG2-CG1 4.18Å; V1134-V1154 HydrophobicContact CG2-CG2 4.38Å; V1152-V1154 HydrophobicContact CG1-CG2 4.2Å; V1154-I1157 HydrophobicContact CB-CD1 4.39Å; V1154-I1157 HydrophobicContact CG1-CD1 3.65Å; V1154-I1157 HydrophobicContact CG1-CG1 3.54Å; V1154-V1167 HydrophobicContact CB-CB 4.29Å; V1154-V1167 PolarHBondContact N-O 2.67Å; V1154-V1167 PolarHBondContact O-N 2.69Å; V1154-V1167 VanDerWaalsContact O-O 3.13Å |
| 1155 | E | 96.2 | Very high | 89.6 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 135.9 | -174.8 | -62.4 | -179.9 | 160.7 | 0 | 0 | 111.2 | V1131 A1132 Q1133 R1153 L1166 | V1131-E1155 CarbonylContact C-O 3.5Å; A1132-E1155 HydrophobicContact CB-CB 4.3Å; A1132-E1155 PolarHBondContact N-O 2.77Å; Q1133-E1155 HydrophobicContact CB-CB 4.34Å; Q1133-E1155 HydrophobicContact CB-CG 4.39Å; Q1133-E1155 WeakPolarHBondContact CB-OE2 3.49Å; Q1133-E1155 PolarHBondContact NE2-OE2 2.9Å; Q1133-E1155 PolarHBondContact O-N 2.83Å; R1153-E1155 HydrophobicContact CG-CG 4.23Å; R1153-E1155 IonicContact CZ-OE1 2.8Å; R1153-E1155 IonicContact NE-OE1 2.74Å; R1153-E1155 PolarHBondContact NE-OE1 2.73Å; R1153-E1155 IonicContact NH2-OE1 3.7Å; R1153-E1155 PolarHBondContact NH2-OE1 2.82Å; E1155-L1166 HydrophobicContact CG-CD1 4.01Å |
| 1156 | Q | 94.9 | Very high | 90.5 | Very high | 98 Ų | 98 | 61.1 Ų | 61.1 | 46% | 0.458 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51 | 67 | 173 | -56.4 | -75.2 | -80.2 | 0 | 0 | 113 | S1130 V1131 A1132 N1165 | S1130-Q1156 CarbonylContact C-O 3.5Å; V1131-Q1156 WeakPolarHBondContact CA-O 3.45Å; A1132-Q1156 HydrophobicContact CB-CB 3.91Å; A1132-Q1156 HydrophobicContact CB-CG 4.2Å; Q1156-N1165 PolarHBondContact N-O 3Å; Q1156-N1165 PolarHBondContact NE2-O 3.17Å; Q1156-N1165 PolarHBondContact NE2-OD1 3.22Å; Q1156-N1165 VanDerWaalsContact NE2-OD1 3.14Å |
| 1157 | I | 93.9 | Very high | 91.2 | Very high | 34 Ų | 34 | 58.8 Ų | 58.8 | 17% | 0.174 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 122.2 | 168.7 | -46.1 | 173 | 0 | 0 | 0 | 107.8 | L1129 S1130 V1131 V1154 I1164 V1167 | L1129-I1157 HydrophobicContact CD1-CG2 4.01Å; S1130-I1157 WeakPolarHBondContact O-CA 3.43Å; V1131-I1157 HydrophobicContact CG2-CG1 4.39Å; V1131-I1157 HydrophobicContact CG2-CG2 4.33Å; V1154-I1157 HydrophobicContact CB-CD1 4.39Å; V1154-I1157 HydrophobicContact CG1-CD1 3.65Å; V1154-I1157 HydrophobicContact CG1-CG1 3.54Å; I1157-I1164 HydrophobicContact CB-CB 4.23Å; I1157-I1164 HydrophobicContact CD1-CB 4.43Å; I1157-I1164 PolarHBondContact N-O 2.91Å; I1157-I1164 PolarHBondContact O-N 2.95Å; I1157-V1167 HydrophobicContact CD1-CG2 3.84Å |
| 1158 | S | 91.2 | Very high | 91.6 | Very high | 44 Ų | 44 | 58 Ų | 58 | 31% | 0.308 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 133.1 | 176.9 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | L1129 S1130 | L1129-S1158 WeakPolarHBondContact CA-O 3.47Å; S1130-S1158 PolarHBondContact N-O 2.8Å; S1130-S1158 VanDerWaalsContact N-O 3.17Å; S1130-S1158 PolarHBondContact O-N 2.9Å |
| 1159 | Q | 89.1 | Confident | 91.9 | Very high | 92 Ų | 92 | 58.9 Ų | 58.9 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 175.8 | 170 | 61.8 | 167.8 | 64.8 | 0 | 0 | 108.2 | L1129 D1161 V1162 | L1129-Q1159 HydrophobicContact CD1-CB 4.45Å; Q1159-D1161 PolarHBondContact O-N 2.9Å; Q1159-V1162 HydrophobicContact CG-CB 3.82Å; Q1159-V1162 PolarHBondContact N-O 2.73Å; Q1159-V1162 VanDerWaalsContact N-O 3.11Å; Q1159-V1162 PolarHBondContact O-N 2.8Å; Q1159-V1162 VanDerWaalsContact O-O 3.05Å |
| 1160 | P | 79.7 | Confident | 92 | Very high | 77 Ų | 77 | 58.1 Ų | 58.1 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 139.2 | 171.2 | -28.9 | 37.5 | 0 | 0 | 0 | 112.9 | E1128 V1162 | E1128-P1160 WeakPolarHBondContact OE2-CD 3.29Å; E1128-P1160 VanDerWaalsContact OE2-CG 3.27Å; E1128-P1160 WeakPolarHBondContact OE2-CG 3.26Å; P1160-V1162 PolarHBondContact O-N 2.82Å |
| 1161 | D | 77.7 | Confident | 92 | Very high | 157 Ų | 157 | 56.4 Ų | 56.4 | 84% | 0.84 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | -1.8 | -176.8 | -58.5 | -39.3 | 0 | 0 | 0 | 118 | Q1159 | Q1159-D1161 PolarHBondContact O-N 2.9Š|
| 1162 | V | 85.1 | Confident | 92.1 | Very high | 44 Ų | 44 | 59.6 Ų | 59.6 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 107.7 | -178.6 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | Q1159 P1160 I1164 | Q1159-V1162 HydrophobicContact CG-CB 3.82Å; Q1159-V1162 PolarHBondContact N-O 2.73Å; Q1159-V1162 VanDerWaalsContact N-O 3.11Å; Q1159-V1162 PolarHBondContact O-N 2.8Å; Q1159-V1162 VanDerWaalsContact O-O 3.05Å; P1160-V1162 PolarHBondContact O-N 2.82Å; V1162-I1164 HydrophobicContact CG1-CD1 3.74Å; V1162-I1164 HydrophobicContact CG1-CG1 3.87Å |
| 1163 | N | 91.1 | Very high | 92 | Very high | 80 Ų | 80 | 59.8 Ų | 59.8 | 43% | 0.428 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 101.6 | 178.4 | -174.4 | -30.6 | 0 | 0 | 0 | 109.5 | G1186 E1187 | N1163-G1186 CarbonylContact O-C 3.59Å; N1163-G1186 WeakPolarHBondContact O-CA 3.42Å; N1163-E1187 PolarHBondContact N-O 3.31Å; N1163-E1187 PolarHBondContact O-N 3.08Å |
| 1164 | I | 93.5 | Very high | 91.6 | Very high | 29 Ų | 29 | 56.7 Ų | 56.7 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 99 | -175.7 | -51.7 | 173.2 | 0 | 0 | 0 | 109.6 | I1157 V1162 L1166 V1167 I1184 Q1185 | I1157-I1164 HydrophobicContact CB-CB 4.23Å; I1157-I1164 HydrophobicContact CD1-CB 4.43Å; I1157-I1164 PolarHBondContact N-O 2.91Å; I1157-I1164 PolarHBondContact O-N 2.95Å; V1162-I1164 HydrophobicContact CG1-CD1 3.74Å; V1162-I1164 HydrophobicContact CG1-CG1 3.87Å; I1164-L1166 PolarHBondContact O-N 3.22Å; I1164-V1167 HydrophobicContact CG2-CG2 3.61Å; I1164-I1184 HydrophobicContact CD1-CG2 4.43Å; I1164-I1184 HydrophobicContact CG2-CG2 3.83Å; I1164-Q1185 CarbonylContact C-O 3.59Å |
| 1165 | N | 93 | Very high | 91 | Very high | 81 Ų | 81 | 56.1 Ų | 56.1 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | -35.2 | -179.2 | -73.5 | -88.3 | 0 | 0 | 0 | 113.6 | Q1156 Q1185 | Q1156-N1165 PolarHBondContact N-O 3Å; Q1156-N1165 PolarHBondContact NE2-O 3.17Å; Q1156-N1165 PolarHBondContact NE2-OD1 3.22Å; Q1156-N1165 VanDerWaalsContact NE2-OD1 3.14Å; N1165-Q1185 WeakPolarHBondContact CB-O 3.2Å; N1165-Q1185 PolarHBondContact N-O 2.84Å |
| 1166 | L | 97 | Very high | 90.6 | Very high | 26 Ų | 26 | 58.5 Ų | 58.5 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 134.8 | -179.2 | -176.7 | 66.7 | 0 | 0 | 0 | 111.7 | R1153 E1155 I1164 T1168 Q1185 | R1153-L1166 HydrophobicContact CG-CD1 4.38Å; E1155-L1166 HydrophobicContact CG-CD1 4.01Å; I1164-L1166 PolarHBondContact O-N 3.22Å; L1166-T1168 HydrophobicContact CD1-CG2 3.96Å; L1166-T1168 HydrophobicContact CD2-CG2 4.08Å; L1166-T1168 HydrophobicContact CG-CG2 4.04Å; L1166-Q1185 HydrophobicContact CB-CB 4.45Å; L1166-Q1185 PolarHBondContact O-N 2.8Å |
| 1167 | V | 96.7 | Very high | 90.5 | Very high | 27 Ų | 27 | 61.1 Ų | 61.1 | 16% | 0.164 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.9 | 157.1 | -175.2 | 0 | 0 | 0 | 0 | 109 | V1154 I1157 I1164 L1182 R1183 I1184 | V1154-V1167 HydrophobicContact CB-CB 4.29Å; V1154-V1167 PolarHBondContact N-O 2.67Å; V1154-V1167 PolarHBondContact O-N 2.69Å; V1154-V1167 VanDerWaalsContact O-O 3.13Å; I1157-V1167 HydrophobicContact CD1-CG2 3.84Å; I1164-V1167 HydrophobicContact CG2-CG2 3.61Å; V1167-L1182 HydrophobicContact CG1-CD1 4.03Å; V1167-R1183 WeakPolarHBondContact CA-O 3.28Å; V1167-I1184 HydrophobicContact CG1-CG1 4.35Å; V1167-I1184 HydrophobicContact CG2-CG1 4.46Å |
| 1168 | T | 96.5 | Very high | 90.5 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 10% | 0.104 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128 | 168.7 | 51.8 | 0 | 0 | 0 | 0 | 109.9 | R1153 L1166 L1182 R1183 | R1153-T1168 HydrophobicContact CB-CG2 4.47Å; R1153-T1168 HydrophobicContact CG-CG2 4.09Å; L1166-T1168 HydrophobicContact CD1-CG2 3.96Å; L1166-T1168 HydrophobicContact CD2-CG2 4.08Å; L1166-T1168 HydrophobicContact CG-CG2 4.04Å; T1168-L1182 WeakPolarHBondContact O-CA 3.42Å; T1168-R1183 PolarHBondContact N-O 2.81Å; T1168-R1183 PolarHBondContact O-N 3.36Å |
| 1169 | L | 95.1 | Very high | 90.6 | Very high | 50 Ų | 50 | 62.8 Ų | 62.8 | 26% | 0.262 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 104.1 | 172.6 | 173.1 | 69.7 | 0 | 0 | 0 | 107.5 | V1152 L1180 Q1181 L1182 | V1152-L1169 HydrophobicContact CB-CB 4.24Å; V1152-L1169 PolarHBondContact N-O 2.74Å; V1152-L1169 PolarHBondContact O-N 3.34Å; L1169-L1180 HydrophobicContact CD1-CD1 3.97Å; L1169-L1180 HydrophobicContact CD1-CD2 3.67Å; L1169-L1180 HydrophobicContact CD1-CG 3.67Å; L1169-Q1181 CarbonylContact C-O 3.38Å; L1169-Q1181 WeakPolarHBondContact CA-O 3.42Å; L1169-L1182 HydrophobicContact CB-CD1 4.3Å; L1169-L1182 HydrophobicContact CD1-CB 4.22Å; L1169-L1182 HydrophobicContact CD1-CD1 4.41Å |
| 1170 | N | 92.9 | Very high | 90.9 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 34% | 0.337 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 106.8 | 179.5 | -68.7 | 101.9 | 0 | 0 | 0 | 109.2 | D1151 L1180 Q1181 | D1151-N1170 PolarHBondContact OD1-ND2 3.03Å; N1170-L1180 CarbonylContact O-C 3.58Å; N1170-L1180 VanDerWaalsContact O-CA 3.31Å; N1170-L1180 WeakPolarHBondContact O-CA 3.25Å; N1170-Q1181 PolarHBondContact N-O 3.37Å; N1170-Q1181 PolarHBondContact O-N 3.29Å |
| 1171 | A | 91.7 | Very high | 91.6 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 17% | 0.174 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K1149 L1150 E1179 L1180 | K1149-A1171 CarbonylContact C-O 3.31Å; K1149-A1171 WeakPolarHBondContact CA-O 3.39Å; L1150-A1171 CarbonylContact C-O 3.53Å; L1150-A1171 HydrophobicContact CB-CB 4.37Å; L1150-A1171 PolarHBondContact N-O 2.84Å; L1150-A1171 PolarHBondContact O-N 3.06Å; A1171-E1179 CarbonylContact C-O 3.59Å; A1171-E1179 WeakPolarHBondContact CA-O 3.38Å; A1171-L1180 HydrophobicContact CB-CB 4.09Å; A1171-L1180 HydrophobicContact CB-CD1 4.38Å; A1171-L1180 HydrophobicContact CB-CG 4.21Å |
| 1172 | K | 92.5 | Very high | 92.4 | Very high | 108 Ų | 108 | 55.6 Ų | 55.6 | 47% | 0.47 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 144 | -178 | 77.1 | -168.5 | -165.6 | -127.7 | 0 | 112.5 | K1149 H1178 E1179 | K1149-K1172 HydrophobicContact CB-CB 4.23Å; K1172-H1178 CarbonylContact O-C 3.5Å; K1172-H1178 WeakPolarHBondContact O-CA 3.29Å; K1172-H1178 WeakPolarHBondContact O-CB 3.34Å; K1172-E1179 HydrophobicContact CD-CG 4.21Å; K1172-E1179 WeakPolarHBondContact CE-OE2 3.13Å; K1172-E1179 HydrophobicContact CG-CG 3.75Å; K1172-E1179 PolarHBondContact N-O 3.33Å; K1172-E1179 IonicContact NZ-OE1 2.82Å; K1172-E1179 PolarHBondContact NZ-OE1 2.92Å; K1172-E1179 IonicContact NZ-OE2 3.49Å; K1172-E1179 PolarHBondContact NZ-OE2 3.4Å; K1172-E1179 PolarHBondContact O-N 3.29Å |
| 1173 | G | 91.9 | Very high | 93 | Very high | 32 Ų | 32 | 58.5 Ų | 58.5 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.4 | -165.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G1148 Q1177 | G1148-G1173 PolarHBondContact N-O 3.3Å; G1148-G1173 PolarHBondContact O-N 2.91Å; G1173-Q1177 CarbonylContact C-O 3.57Å; G1173-Q1177 VanDerWaalsContact CA-O 3.25Å; G1173-Q1177 WeakPolarHBondContact CA-O 3.33Å |
| 1174 | S | 88.3 | Confident | 93.1 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 167.1 | 167.5 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | K1176 Q1177 H1178 | S1174-K1176 VanDerWaalsContact C-N 3.26Å; S1174-K1176 PolarHBondContact O-N 3.28Å; S1174-K1176 PolarHBondContact OG-N 2.81Å; S1174-Q1177 PolarHBondContact N-O 3.38Å; S1174-Q1177 CarbonylContact O-C 3.59Å; S1174-Q1177 PolarHBondContact O-N 2.91Å; S1174-Q1177 VanDerWaalsContact O-N 3.09Å; S1174-Q1177 VanDerWaalsContact O-O 3.09Å; S1174-Q1177 PolarHBondContact OG-N 3.36Å; S1174-Q1177 VanDerWaalsContact OG-N 3.12Å; S1174-H1178 WeakPolarHBondContact O-CB 3.43Å; S1174-H1178 PolarHBondContact O-ND1 2.8Å |
| 1175 | E | 82.9 | Confident | 93.1 | Very high | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.065 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -39.6 | -60 | 159.6 | -89.4 | 171.5 | -165.1 | 0 | 0 | 109.9 | Q1145 I1146 Q1177 H1178 S1198 F1199 R1201 | Q1145-E1175 WeakPolarHBondContact CA-OE2 3.48Å; Q1145-E1175 HydrophobicContact CB-CB 4.16Å; Q1145-E1175 HydrophobicContact CB-CG 4.48Å; Q1145-E1175 WeakPolarHBondContact CB-OE2 3.47Å; Q1145-E1175 HydrophobicContact CG-CB 4.28Å; Q1145-E1175 WeakPolarHBondContact CG-OE2 3.42Å; I1146-E1175 HydrophobicContact CB-CG 3.88Å; I1146-E1175 VanDerWaalsContact CB-OE1 3.29Å; I1146-E1175 WeakPolarHBondContact CB-OE1 3.19Å; I1146-E1175 WeakPolarHBondContact CG1-OE1 3.38Å; I1146-E1175 PolarHBondContact N-OE1 2.88Å; I1146-E1175 WeakPolarHBondContact O-CG 3.32Å; I1146-E1175 PolarHBondContact O-N 3.1Å; E1175-Q1177 VanDerWaalsContact C-N 3.26Å; E1175-Q1177 PolarHBondContact O-N 2.79Å; E1175-Q1177 VanDerWaalsContact O-N 3.12Å; E1175-H1178 PolarHBondContact O-CE1 2.91Å; E1175-H1178 PolarHBondContact O-ND1 2.93Å; E1175-H1178 VanDerWaalsContact O-ND1 3.1Å; E1175-S1198 CarbonylContact O-C 3.57Å; E1175-S1198 VanDerWaalsContact O-CA 3.3Å; E1175-S1198 WeakPolarHBondContact O-CA 3.45Å; E1175-F1199 CarbonylContact C-O 3.44Å; E1175-F1199 VanDerWaalsContact C-O 3.26Å; E1175-F1199 HydrophobicContact CB-CB 3.97Å; E1175-F1199 HydrophobicContact CB-CD1 3.95Å; E1175-F1199 HydrophobicContact CB-CG 4.48Å; E1175-F1199 VanDerWaalsContact CD-CD1 3.47Å; E1175-F1199 HydrophobicContact CG-CB 4.18Å; E1175-F1199 HydrophobicContact CG-CD1 3.56Å; E1175-F1199 HydrophobicContact CG-CE1 4.35Å; E1175-F1199 HydrophobicContact CG-CG 4.31Å; E1175-F1199 PolarHBondContact O-N 2.91Å; E1175-R1201 VanDerWaalsContact CD-NE 3.26Å; E1175-R1201 IonicContact OE1-CZ 2.67Å; E1175-R1201 VanDerWaalsContact OE1-CZ 3.3Å; E1175-R1201 IonicContact OE1-NE 2.63Å; E1175-R1201 PolarHBondContact OE1-NE 2.98Å; E1175-R1201 IonicContact OE1-NH2 3.56Å; E1175-R1201 PolarHBondContact OE1-NH2 2.74Å; E1175-R1201 WeakPolarHBondContact OE2-CD 3.35Å; E1175-R1201 WeakPolarHBondContact OE2-CG 3.28Å; E1175-R1201 IonicContact OE2-CZ 2.75Å; E1175-R1201 IonicContact OE2-NE 2.93Å; E1175-R1201 PolarHBondContact OE2-NE 2.86Å |
| 1176 | K | 87.5 | Confident | 93.1 | Very high | 97 Ų | 97 | 55.1 Ų | 55.1 | 42% | 0.422 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.2 | -177.4 | -78.8 | -171.8 | 179.1 | -140.5 | 0 | 116.7 | Q1145 S1174 S1198 F1199 D1200 | Q1145-K1176 VanDerWaalsContact OE1-CG 3.29Å; S1174-K1176 VanDerWaalsContact C-N 3.26Å; S1174-K1176 PolarHBondContact O-N 3.28Å; S1174-K1176 PolarHBondContact OG-N 2.81Å; K1176-S1198 WeakPolarHBondContact O-CB 3.4Å; K1176-F1199 WeakPolarHBondContact CA-O 3.31Å; K1176-F1199 WeakPolarHBondContact CG-O 3.1Å; K1176-F1199 PolarHBondContact N-O 2.86Å; K1176-D1200 WeakPolarHBondContact CE-OD2 3.25Å; K1176-D1200 IonicContact NZ-OD2 3.27Å; K1176-D1200 PolarHBondContact NZ-OD2 2.84Å |
| 1177 | Q | 92.5 | Very high | 92.4 | Very high | 152 Ų | 152 | 60.3 Ų | 60.3 | 71% | 0.71 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 113.1 | 170.9 | -174.4 | 179.3 | 1.5 | 0 | 0 | 110.6 | G1173 S1174 E1175 G1197 | G1173-Q1177 CarbonylContact C-O 3.57Å; G1173-Q1177 VanDerWaalsContact CA-O 3.25Å; G1173-Q1177 WeakPolarHBondContact CA-O 3.33Å; S1174-Q1177 PolarHBondContact N-O 3.38Å; S1174-Q1177 CarbonylContact O-C 3.59Å; S1174-Q1177 PolarHBondContact O-N 2.91Å; S1174-Q1177 VanDerWaalsContact O-N 3.09Å; S1174-Q1177 VanDerWaalsContact O-O 3.09Å; S1174-Q1177 PolarHBondContact OG-N 3.36Å; S1174-Q1177 VanDerWaalsContact OG-N 3.12Å; E1175-Q1177 VanDerWaalsContact C-N 3.26Å; E1175-Q1177 PolarHBondContact O-N 2.79Å; E1175-Q1177 VanDerWaalsContact O-N 3.12Å; Q1177-G1197 CarbonylContact C-O 3.5Å; Q1177-G1197 WeakPolarHBondContact CA-O 3.4Å |
| 1178 | H | 94.2 | Very high | 91.9 | Very high | 57 Ų | 57 | 61.9 Ų | 61.9 | 26% | 0.264 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 166.9 | 175.6 | 56 | -96.5 | 0 | 0 | 0 | 113.2 | K1172 S1174 E1175 A1196 G1197 W1206 | K1172-H1178 CarbonylContact O-C 3.5Å; K1172-H1178 WeakPolarHBondContact O-CA 3.29Å; K1172-H1178 WeakPolarHBondContact O-CB 3.34Å; S1174-H1178 WeakPolarHBondContact O-CB 3.43Å; S1174-H1178 PolarHBondContact O-ND1 2.8Å; E1175-H1178 PolarHBondContact O-CE1 2.91Å; E1175-H1178 PolarHBondContact O-ND1 2.93Å; E1175-H1178 VanDerWaalsContact O-ND1 3.1Å; H1178-A1196 CarbonylContact O-C 3.57Å; H1178-G1197 PolarHBondContact N-O 3.4Å; H1178-G1197 PolarHBondContact O-N 3.04Å; H1178-W1206 AromaticContact CE1-CD1 3.42Å; H1178-W1206 VanDerWaalsContact CE1-CD1 3.42Å; H1178-W1206 AromaticContact CE1-NE1 3.24Å; H1178-W1206 PolarHBondContact CE1-NE1 2.9Å; H1178-W1206 AromaticContact NE2-CD1 3.53Å; H1178-W1206 AromaticContact NE2-CE2 3.93Å; H1178-W1206 AromaticContact NE2-NE1 2.87Å; H1178-W1206 PolarHBondContact NE2-NE1 3.12Å |
| 1179 | E | 94.5 | Very high | 91.3 | Very high | 56 Ų | 56 | 63.6 Ų | 63.6 | 26% | 0.262 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 157.4 | 171.4 | 59 | 175.4 | -103.1 | 0 | 0 | 110.3 | A1171 K1172 Q1181 L1195 A1196 | A1171-E1179 CarbonylContact C-O 3.59Å; A1171-E1179 WeakPolarHBondContact CA-O 3.38Å; K1172-E1179 HydrophobicContact CD-CG 4.21Å; K1172-E1179 WeakPolarHBondContact CE-OE2 3.13Å; K1172-E1179 HydrophobicContact CG-CG 3.75Å; K1172-E1179 PolarHBondContact N-O 3.33Å; K1172-E1179 IonicContact NZ-OE1 2.82Å; K1172-E1179 PolarHBondContact NZ-OE1 2.92Å; K1172-E1179 IonicContact NZ-OE2 3.49Å; K1172-E1179 PolarHBondContact NZ-OE2 3.4Å; K1172-E1179 PolarHBondContact O-N 3.29Å; E1179-Q1181 PolarHBondContact OE1-NE2 2.73Å; E1179-L1195 CarbonylContact C-O 3.38Å; E1179-L1195 VanDerWaalsContact CA-O 3.25Å; E1179-L1195 WeakPolarHBondContact CA-O 3.28Å; E1179-A1196 HydrophobicContact CB-CB 4.29Å |
| 1180 | L | 94 | Very high | 91.2 | Very high | 49 Ų | 49 | 63.2 Ų | 63.2 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 124.6 | 174.9 | 174.8 | 163.5 | 0 | 0 | 0 | 107.9 | L1169 N1170 A1171 L1182 L1193 L1195 | L1169-L1180 HydrophobicContact CD1-CD1 3.97Å; L1169-L1180 HydrophobicContact CD1-CD2 3.67Å; L1169-L1180 HydrophobicContact CD1-CG 3.67Å; N1170-L1180 CarbonylContact O-C 3.58Å; N1170-L1180 VanDerWaalsContact O-CA 3.31Å; N1170-L1180 WeakPolarHBondContact O-CA 3.25Å; A1171-L1180 HydrophobicContact CB-CB 4.09Å; A1171-L1180 HydrophobicContact CB-CD1 4.38Å; A1171-L1180 HydrophobicContact CB-CG 4.21Å; L1180-L1182 HydrophobicContact CD2-CB 4.37Å; L1180-L1193 HydrophobicContact CD2-CD1 4.07Å; L1180-L1195 HydrophobicContact CB-CB 4.21Å; L1180-L1195 HydrophobicContact CB-CD2 4.48Å; L1180-L1195 HydrophobicContact CD2-CB 4.38Å; L1180-L1195 PolarHBondContact N-O 3.12Å; L1180-L1195 PolarHBondContact O-N 3.03Å |
| 1181 | Q | 95.2 | Very high | 91.3 | Very high | 85 Ų | 85 | 60.9 Ų | 60.9 | 40% | 0.397 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.7 | 175.3 | -57.3 | -176.4 | 33.2 | 0 | 0 | 108.8 | L1169 N1170 E1179 | L1169-Q1181 CarbonylContact C-O 3.38Å; L1169-Q1181 WeakPolarHBondContact CA-O 3.42Å; N1170-Q1181 PolarHBondContact N-O 3.37Å; N1170-Q1181 PolarHBondContact O-N 3.29Å; E1179-Q1181 PolarHBondContact OE1-NE2 2.73Å |
| 1182 | L | 95.1 | Very high | 91.4 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.8 | 176.8 | 172.5 | 65.4 | 0 | 0 | 0 | 109.6 | V1167 T1168 L1169 L1180 I1184 Q1192 L1193 | V1167-L1182 HydrophobicContact CG1-CD1 4.03Å; T1168-L1182 WeakPolarHBondContact O-CA 3.42Å; L1169-L1182 HydrophobicContact CB-CD1 4.3Å; L1169-L1182 HydrophobicContact CD1-CB 4.22Å; L1169-L1182 HydrophobicContact CD1-CD1 4.41Å; L1180-L1182 HydrophobicContact CD2-CB 4.37Å; L1182-I1184 HydrophobicContact CD1-CG1 4.25Å; L1182-I1184 HydrophobicContact CG-CG1 4.47Å; L1182-Q1192 CarbonylContact O-C 3.59Å; L1182-Q1192 VanDerWaalsContact O-CA 3.22Å; L1182-Q1192 WeakPolarHBondContact O-CA 3.4Å; L1182-L1193 HydrophobicContact CB-CD1 3.92Å; L1182-L1193 HydrophobicContact CB-CG 4.03Å; L1182-L1193 HydrophobicContact CD2-CD2 4.37Å; L1182-L1193 HydrophobicContact CD2-CG 4.37Å; L1182-L1193 PolarHBondContact N-O 2.86Å; L1182-L1193 PolarHBondContact O-N 2.9Å |
| 1183 | R | 95.8 | Very high | 91.5 | Very high | 105 Ų | 105 | 57.3 Ų | 57.3 | 40% | 0.396 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 134.1 | 176.9 | -178.3 | -172.9 | 177.9 | 99 | 0.3 | 109.7 | V1167 T1168 Q1185 | V1167-R1183 WeakPolarHBondContact CA-O 3.28Å; T1168-R1183 PolarHBondContact N-O 2.81Å; T1168-R1183 PolarHBondContact O-N 3.36Å; R1183-Q1185 HydrophobicContact CG-CG 4.3Å |
| 1184 | I | 94.5 | Very high | 91.7 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 19% | 0.19 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.9 | -179.1 | -58.2 | 177 | 0 | 0 | 0 | 107.8 | I1164 V1167 L1182 S1190 G1191 F1215 | I1164-I1184 HydrophobicContact CD1-CG2 4.43Å; I1164-I1184 HydrophobicContact CG2-CG2 3.83Å; V1167-I1184 HydrophobicContact CG1-CG1 4.35Å; V1167-I1184 HydrophobicContact CG2-CG1 4.46Å; L1182-I1184 HydrophobicContact CD1-CG1 4.25Å; L1182-I1184 HydrophobicContact CG-CG1 4.47Å; I1184-S1190 WeakPolarHBondContact O-CA 3.35Å; I1184-G1191 PolarHBondContact N-O 2.83Å; I1184-G1191 PolarHBondContact O-N 3.06Å; I1184-G1191 VanDerWaalsContact O-O 3.12Å; I1184-F1215 HydrophobicContact CD1-CE1 4.5Å |
| 1185 | Q | 94.1 | Very high | 92 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 34% | 0.341 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 91.8 | -179 | -61.3 | -168.8 | -113.2 | 0 | 0 | 110.6 | I1164 N1165 L1166 R1183 | I1164-Q1185 CarbonylContact C-O 3.59Å; N1165-Q1185 WeakPolarHBondContact CB-O 3.2Å; N1165-Q1185 PolarHBondContact N-O 2.84Å; L1166-Q1185 HydrophobicContact CB-CB 4.45Å; L1166-Q1185 PolarHBondContact O-N 2.8Å; R1183-Q1185 HydrophobicContact CG-CG 4.3Å |
| 1186 | G | 91.2 | Very high | 92.6 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | -174.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N1163 V1189 S1190 | N1163-G1186 CarbonylContact O-C 3.59Å; N1163-G1186 WeakPolarHBondContact O-CA 3.42Å; G1186-V1189 CarbonylContact O-C 3.43Å; G1186-V1189 VanDerWaalsContact O-C 3.24Å; G1186-S1190 WeakPolarHBondContact O-CB 3.05Å; G1186-S1190 PolarHBondContact O-N 3.14Å |
| 1187 | E | 82.8 | Confident | 92.9 | Very high | 135 Ų | 135 | 54.9 Ų | 54.9 | 63% | 0.631 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 147.5 | 165.7 | -68 | -64 | 160.2 | 0 | 0 | 109.1 | N1163 V1189 | N1163-E1187 PolarHBondContact N-O 3.31Å; N1163-E1187 PolarHBondContact O-N 3.08Å; E1187-V1189 VanDerWaalsContact C-N 3.31Å |
| 1188 | P | 86 | Confident | 93 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | S | Bend | cis | -84.9 | 4.1 | -2.2 | 34.8 | -35.6 | 0 | 0 | 0 | 113.7 | P1218 | P1188-P1218 HydrophobicContact CB-CG 4.12Š|
| 1189 | V | 84.9 | Confident | 92.8 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 32% | 0.321 | 26% | 0.263 | S | S | . | . | trans | -132.3 | 126.6 | -178.6 | 178 | 0 | 0 | 0 | 0 | 111.3 | G1186 E1187 F1215 Q1216 | G1186-V1189 CarbonylContact O-C 3.43Å; G1186-V1189 VanDerWaalsContact O-C 3.24Å; E1187-V1189 VanDerWaalsContact C-N 3.31Å; V1189-F1215 HydrophobicContact CG1-CD1 3.99Å; V1189-Q1216 WeakPolarHBondContact CA-O 3.14Å | ||
| 1190 | S | 93.3 | Very high | 92.5 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 29% | 0.287 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147.8 | 168.8 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | I1184 G1186 F1215 Q1216 | I1184-S1190 WeakPolarHBondContact O-CA 3.35Å; G1186-S1190 WeakPolarHBondContact O-CB 3.05Å; G1186-S1190 PolarHBondContact O-N 3.14Å; S1190-F1215 CarbonylContact O-C 3.55Å; S1190-F1215 WeakPolarHBondContact O-CA 3.33Å; S1190-Q1216 PolarHBondContact O-N 3.35Å |
| 1191 | G | 94 | Very high | 91.9 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -171.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | I1184 R1214 | I1184-G1191 PolarHBondContact N-O 2.83Å; I1184-G1191 PolarHBondContact O-N 3.06Å; I1184-G1191 VanDerWaalsContact O-O 3.12Å; G1191-R1214 CarbonylContact C-O 3.56Å; G1191-R1214 WeakPolarHBondContact CA-O 3.48Å |
| 1192 | Q | 94.8 | Very high | 91.2 | Very high | 20 Ų | 20 | 53.9 Ų | 53.9 | 9% | 0.093 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 155.5 | 178.9 | 72.9 | -163.8 | 34.2 | 0 | 0 | 110.8 | L1182 N1212 T1213 R1214 | L1182-Q1192 CarbonylContact O-C 3.59Å; L1182-Q1192 VanDerWaalsContact O-CA 3.22Å; L1182-Q1192 WeakPolarHBondContact O-CA 3.4Å; Q1192-N1212 WeakPolarHBondContact CG-O 3.39Å; Q1192-N1212 VanDerWaalsContact NE2-CG 3.27Å; Q1192-N1212 PolarHBondContact NE2-ND2 3.11Å; Q1192-N1212 VanDerWaalsContact NE2-ND2 3.11Å; Q1192-N1212 PolarHBondContact NE2-O 2.61Å; Q1192-N1212 PolarHBondContact NE2-OD1 2.89Å; Q1192-T1213 WeakPolarHBondContact O-CA 3.49Å; Q1192-R1214 HydrophobicContact CG-CG 4.06Å; Q1192-R1214 PolarHBondContact N-O 3.19Å; Q1192-R1214 PolarHBondContact O-N 2.94Å |
| 1193 | L | 95 | Very high | 90.7 | Very high | 34 Ų | 34 | 57 Ų | 57 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 150.7 | 164.1 | 63.2 | 79.6 | 0 | 0 | 0 | 111 | L1180 L1182 L1210 T1213 F1215 | L1180-L1193 HydrophobicContact CD2-CD1 4.07Å; L1182-L1193 HydrophobicContact CB-CD1 3.92Å; L1182-L1193 HydrophobicContact CB-CG 4.03Å; L1182-L1193 HydrophobicContact CD2-CD2 4.37Å; L1182-L1193 HydrophobicContact CD2-CG 4.37Å; L1182-L1193 PolarHBondContact N-O 2.86Å; L1182-L1193 PolarHBondContact O-N 2.9Å; L1193-L1210 HydrophobicContact CB-CD1 4.11Å; L1193-L1210 HydrophobicContact CD1-CD1 4.08Å; L1193-L1210 HydrophobicContact CD2-CD1 4.43Å; L1193-L1210 HydrophobicContact CG-CD1 4.44Å; L1193-T1213 HydrophobicContact CB-CG2 3.82Å; L1193-T1213 WeakPolarHBondContact CB-OG1 3.38Å; L1193-F1215 HydrophobicContact CD2-CE2 4.19Å; L1193-F1215 HydrophobicContact CD2-CZ 4.09Å; L1193-F1215 HydrophobicContact CG-CZ 4.49Å |
| 1194 | N | 94.9 | Very high | 90.2 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127.4 | 173.5 | -69.5 | 2.6 | 0 | 0 | 0 | 109.3 | L1210 S1211 N1212 | N1194-L1210 CarbonylContact O-C 3.58Å; N1194-L1210 WeakPolarHBondContact O-CA 3.46Å; N1194-S1211 WeakPolarHBondContact CB-OG 3.4Å; N1194-S1211 PolarHBondContact N-O 2.9Å; N1194-S1211 PolarHBondContact O-N 2.93Å; N1194-S1211 PolarHBondContact O-OG 2.74Å; N1194-N1212 HydrophobicContact CB-CB 4.38Å; N1194-N1212 PolarHBondContact ND2-ND2 2.78Å |
| 1195 | L | 94.6 | Very high | 90.2 | Very high | 40 Ų | 40 | 56.3 Ų | 56.3 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 131.3 | 176 | -168.9 | 76.1 | 0 | 0 | 0 | 108.7 | E1179 L1180 W1206 T1209 L1210 L1230 | E1179-L1195 CarbonylContact C-O 3.38Å; E1179-L1195 VanDerWaalsContact CA-O 3.25Å; E1179-L1195 WeakPolarHBondContact CA-O 3.28Å; L1180-L1195 HydrophobicContact CB-CB 4.21Å; L1180-L1195 HydrophobicContact CB-CD2 4.48Å; L1180-L1195 HydrophobicContact CD2-CB 4.38Å; L1180-L1195 PolarHBondContact N-O 3.12Å; L1180-L1195 PolarHBondContact O-N 3.03Å; L1195-W1206 HydrophobicContact CD1-CH2 3.89Å; L1195-W1206 HydrophobicContact CD1-CZ2 4.36Å; L1195-W1206 HydrophobicContact CD2-CH2 4.3Å; L1195-W1206 HydrophobicContact CD2-CZ2 4.23Å; L1195-W1206 HydrophobicContact CG-CH2 4.17Å; L1195-W1206 HydrophobicContact CG-CZ2 4.15Å; L1195-T1209 CarbonylContact C-O 3.52Å; L1195-T1209 WeakPolarHBondContact CA-O 3.36Å; L1195-L1210 HydrophobicContact CB-CD1 4.48Å; L1195-L1210 HydrophobicContact CD1-CB 4.05Å; L1195-L1210 HydrophobicContact CD1-CD1 3.92Å; L1195-L1230 HydrophobicContact CD1-CD1 3.82Å |
| 1196 | A | 95.8 | Very high | 90.2 | Very high | 40 Ų | 40 | 54.4 Ų | 54.4 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 136.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | H1178 E1179 G1208 T1209 | H1178-A1196 CarbonylContact O-C 3.57Å; E1179-A1196 HydrophobicContact CB-CB 4.29Å; A1196-G1208 CarbonylContact O-C 3.15Å; A1196-G1208 VanDerWaalsContact O-C 3.28Å; A1196-G1208 WeakPolarHBondContact O-CA 3.01Å; A1196-T1209 PolarHBondContact N-O 3.16Å; A1196-T1209 PolarHBondContact O-N 3.39Å |
| 1197 | G | 94.5 | Very high | 90.4 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 9% | 0.093 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | -172.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q1177 H1178 K1207 | Q1177-G1197 CarbonylContact C-O 3.5Å; Q1177-G1197 WeakPolarHBondContact CA-O 3.4Å; H1178-G1197 PolarHBondContact N-O 3.4Å; H1178-G1197 PolarHBondContact O-N 3.04Å; G1197-K1207 CarbonylContact C-O 3.41Å; G1197-K1207 VanDerWaalsContact C-O 3.3Å; G1197-K1207 WeakPolarHBondContact CA-O 3.2Å |
| 1198 | S | 94.3 | Very high | 91 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 102.5 | -163.9 | 55 | 0 | 0 | 0 | 0 | 111.6 | E1175 K1176 W1206 K1207 | E1175-S1198 CarbonylContact O-C 3.57Å; E1175-S1198 VanDerWaalsContact O-CA 3.3Å; E1175-S1198 WeakPolarHBondContact O-CA 3.45Å; K1176-S1198 WeakPolarHBondContact O-CB 3.4Å; S1198-W1206 CarbonylContact O-C 3.6Å; S1198-W1206 WeakPolarHBondContact O-CA 3.4Å; S1198-K1207 PolarHBondContact N-O 3.43Å; S1198-K1207 PolarHBondContact O-N 2.72Å |
| 1199 | F | 90.5 | Very high | 91.5 | Very high | 40 Ų | 40 | 52.2 Ų | 52.2 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 112 | 168 | -173.8 | -109.4 | 0 | 0 | 0 | 110.8 | E1175 K1176 R1201 E1204 R1205 W1206 N1234 | E1175-F1199 CarbonylContact C-O 3.44Å; E1175-F1199 VanDerWaalsContact C-O 3.26Å; E1175-F1199 HydrophobicContact CB-CB 3.97Å; E1175-F1199 HydrophobicContact CB-CD1 3.95Å; E1175-F1199 HydrophobicContact CB-CG 4.48Å; E1175-F1199 VanDerWaalsContact CD-CD1 3.47Å; E1175-F1199 HydrophobicContact CG-CB 4.18Å; E1175-F1199 HydrophobicContact CG-CD1 3.56Å; E1175-F1199 HydrophobicContact CG-CE1 4.35Å; E1175-F1199 HydrophobicContact CG-CG 4.31Å; E1175-F1199 PolarHBondContact O-N 2.91Å; K1176-F1199 WeakPolarHBondContact CA-O 3.31Å; K1176-F1199 WeakPolarHBondContact CG-O 3.1Å; K1176-F1199 PolarHBondContact N-O 2.86Å; F1199-R1201 HydrophobicContact CD1-CG 4.24Å; F1199-R1201 HydrophobicContact CE1-CB 4.48Å; F1199-R1201 HydrophobicContact CE1-CG 3.76Å; F1199-E1204 HydrophobicContact CE2-CB 4.11Å; F1199-E1204 VanDerWaalsContact CE2-O 3.3Å; F1199-E1204 WeakPolarHBondContact CE2-O 3.16Å; F1199-E1204 HydrophobicContact CZ-CB 3.96Å; F1199-R1205 CarbonylContact C-O 3.25Å; F1199-R1205 VanDerWaalsContact CA-O 3.27Å; F1199-R1205 WeakPolarHBondContact CA-O 3.21Å; F1199-W1206 HydrophobicContact CB-CB 4.06Å; F1199-W1206 HydrophobicContact CD2-CB 3.85Å; F1199-W1206 HydrophobicContact CG-CB 4.46Å; F1199-N1234 HydrophobicContact CE2-CB 4.38Å |
| 1200 | D | 87.3 | Confident | 91.9 | Very high | 46 Ų | 46 | 51 Ų | 51 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 115.1 | 164.6 | -171.7 | -69 | 0 | 0 | 0 | 109.7 | K1176 K1202 E1203 E1204 R1205 | K1176-D1200 WeakPolarHBondContact CE-OD2 3.25Å; K1176-D1200 IonicContact NZ-OD2 3.27Å; K1176-D1200 PolarHBondContact NZ-OD2 2.84Å; D1200-K1202 VanDerWaalsContact C-N 3.3Å; D1200-K1202 PolarHBondContact O-N 3.19Å; D1200-K1202 WeakPolarHBondContact OD1-CA 3.32Å; D1200-K1202 WeakPolarHBondContact OD1-CB 3.39Å; D1200-K1202 PolarHBondContact OD1-N 2.8Å; D1200-E1203 HydrophobicContact CB-CB 4.36Å; D1200-E1203 HydrophobicContact CB-CG 4.46Å; D1200-E1203 CarbonylContact O-C 3.51Å; D1200-E1203 PolarHBondContact O-N 3.15Å; D1200-E1203 PolarHBondContact OD1-N 2.81Å; D1200-E1204 CarbonylContact O-C 3.41Å; D1200-E1204 WeakPolarHBondContact O-CA 3.35Å; D1200-E1204 PolarHBondContact O-N 3.31Å; D1200-R1205 PolarHBondContact N-O 3.39Å; D1200-R1205 PolarHBondContact O-N 3.23Å |
| 1201 | R | 80.6 | Confident | 91.9 | Very high | 79 Ų | 79 | 50 Ų | 50 | 30% | 0.298 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -20.1 | -177.9 | -128 | 178.8 | -152.7 | -153.2 | 9.5 | 116.1 | S1142 T1143 D1144 E1175 F1199 E1204 | S1142-R1201 PolarHBondContact OG-NH2 2.72Å; T1143-R1201 PolarHBondContact O-NH1 2.86Å; D1144-R1201 VanDerWaalsContact C-NH1 3.32Å; D1144-R1201 WeakPolarHBondContact O-CD 3.5Å; D1144-R1201 PolarHBondContact O-NE 2.81Å; D1144-R1201 PolarHBondContact O-NH1 2.69Å; D1144-R1201 VanDerWaalsContact O-NH1 3.16Å; E1175-R1201 VanDerWaalsContact CD-NE 3.26Å; E1175-R1201 IonicContact OE1-CZ 2.67Å; E1175-R1201 VanDerWaalsContact OE1-CZ 3.3Å; E1175-R1201 IonicContact OE1-NE 2.63Å; E1175-R1201 PolarHBondContact OE1-NE 2.98Å; E1175-R1201 IonicContact OE1-NH2 3.56Å; E1175-R1201 PolarHBondContact OE1-NH2 2.74Å; E1175-R1201 WeakPolarHBondContact OE2-CD 3.35Å; E1175-R1201 WeakPolarHBondContact OE2-CG 3.28Å; E1175-R1201 IonicContact OE2-CZ 2.75Å; E1175-R1201 IonicContact OE2-NE 2.93Å; E1175-R1201 PolarHBondContact OE2-NE 2.86Å; F1199-R1201 HydrophobicContact CD1-CG 4.24Å; F1199-R1201 HydrophobicContact CE1-CB 4.48Å; F1199-R1201 HydrophobicContact CE1-CG 3.76Å; R1201-E1204 WeakPolarHBondContact O-CG 3.3Å |
| 1202 | K | 82.3 | Confident | 91.6 | Very high | 171 Ų | 171 | 53.1 Ų | 53.1 | 74% | 0.743 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -32.8 | 177.1 | -82.2 | -171.4 | 167.4 | -174.4 | 0 | 112.1 | D1200 E1204 K1235 | D1200-K1202 VanDerWaalsContact C-N 3.3Å; D1200-K1202 PolarHBondContact O-N 3.19Å; D1200-K1202 WeakPolarHBondContact OD1-CA 3.32Å; D1200-K1202 WeakPolarHBondContact OD1-CB 3.39Å; D1200-K1202 PolarHBondContact OD1-N 2.8Å; K1202-E1204 VanDerWaalsContact C-N 3.34Å; K1202-K1235 VanDerWaalsContact O-CE 3.28Å; K1202-K1235 WeakPolarHBondContact O-CE 3.36Å; K1202-K1235 PolarHBondContact O-NZ 2.96Å |
| 1203 | E | 84.8 | Confident | 91.5 | Very high | 108 Ų | 108 | 52.4 Ų | 52.4 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -10.8 | 169.4 | -56.2 | -58.6 | 117.9 | 0 | 0 | 112 | D1200 R1205 | D1200-E1203 HydrophobicContact CB-CB 4.36Å; D1200-E1203 HydrophobicContact CB-CG 4.46Å; D1200-E1203 CarbonylContact O-C 3.51Å; D1200-E1203 PolarHBondContact O-N 3.15Å; D1200-E1203 PolarHBondContact OD1-N 2.81Å; E1203-R1205 HydrophobicContact CB-CB 3.51Å; E1203-R1205 PolarHBondContact O-N 2.83Å |
| 1204 | E | 85.3 | Confident | 91.4 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 47.8 | -163.1 | -50.5 | 159.4 | -151 | 0 | 0 | 111.5 | F1199 D1200 R1201 K1202 N1234 K1235 | F1199-E1204 HydrophobicContact CE2-CB 4.11Å; F1199-E1204 VanDerWaalsContact CE2-O 3.3Å; F1199-E1204 WeakPolarHBondContact CE2-O 3.16Å; F1199-E1204 HydrophobicContact CZ-CB 3.96Å; D1200-E1204 CarbonylContact O-C 3.41Å; D1200-E1204 WeakPolarHBondContact O-CA 3.35Å; D1200-E1204 PolarHBondContact O-N 3.31Å; R1201-E1204 WeakPolarHBondContact O-CG 3.3Å; K1202-E1204 VanDerWaalsContact C-N 3.34Å; E1204-N1234 HydrophobicContact CB-CB 3.77Å; E1204-N1234 WeakPolarHBondContact O-CA 3.35Å; E1204-N1234 WeakPolarHBondContact O-CB 3.44Å; E1204-N1234 PolarHBondContact O-N 2.96Å; E1204-N1234 PolarHBondContact OE2-ND2 3.13Å; E1204-K1235 HydrophobicContact CB-CG 3.94Å; E1204-K1235 VanDerWaalsContact CD-CE 3.47Å; E1204-K1235 HydrophobicContact CG-CD 4.38Å; E1204-K1235 HydrophobicContact CG-CG 3.84Å; E1204-K1235 WeakPolarHBondContact OE1-CE 3.36Å; E1204-K1235 WeakPolarHBondContact OE1-CG 3.43Å; E1204-K1235 IonicContact OE1-NZ 3.08Å; E1204-K1235 WeakPolarHBondContact OE2-CG 3.16Å |
| 1205 | R | 93 | Very high | 91.4 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 103 | -161.5 | 179.6 | 172.7 | -168.2 | 160.7 | 4.3 | 113.1 | F1199 D1200 E1203 K1207 D1231 Y1232 R1233 | F1199-R1205 CarbonylContact C-O 3.25Å; F1199-R1205 VanDerWaalsContact CA-O 3.27Å; F1199-R1205 WeakPolarHBondContact CA-O 3.21Å; D1200-R1205 PolarHBondContact N-O 3.39Å; D1200-R1205 PolarHBondContact O-N 3.23Å; E1203-R1205 HydrophobicContact CB-CB 3.51Å; E1203-R1205 PolarHBondContact O-N 2.83Å; R1205-K1207 HydrophobicContact CG-CG 4.4Å; R1205-K1207 VanDerWaalsContact NH2-NZ 3.19Å; R1205-D1231 WeakPolarHBondContact CG-OD1 3.46Å; R1205-D1231 IonicContact CZ-OD1 3.23Å; R1205-D1231 IonicContact CZ-OD2 3.68Å; R1205-D1231 IonicContact NE-OD1 3.25Å; R1205-D1231 PolarHBondContact NE-OD1 2.96Å; R1205-D1231 IonicContact NE-OD2 3.56Å; R1205-D1231 PolarHBondContact NE-OD2 2.77Å; R1205-D1231 IonicContact NH2-OD1 2.73Å; R1205-D1231 PolarHBondContact NH2-OD1 2.8Å; R1205-D1231 IonicContact NH2-OD2 2.68Å; R1205-D1231 PolarHBondContact NH2-OD2 3.35Å; R1205-Y1232 CarbonylContact C-O 3.53Å; R1205-Y1232 WeakPolarHBondContact CA-O 3.38Å; R1205-R1233 HydrophobicContact CB-CG 4.29Å; R1205-R1233 HydrophobicContact CG-CG 3.61Å |
| 1206 | W | 94.8 | Very high | 91.1 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 13% | 0.125 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 104.8 | 172.7 | -177.6 | 78.3 | 0 | 0 | 0 | 112.1 | H1178 L1195 S1198 F1199 L1230 D1231 Y1232 | H1178-W1206 AromaticContact CE1-CD1 3.42Å; H1178-W1206 VanDerWaalsContact CE1-CD1 3.42Å; H1178-W1206 AromaticContact CE1-NE1 3.24Å; H1178-W1206 PolarHBondContact CE1-NE1 2.9Å; H1178-W1206 AromaticContact NE2-CD1 3.53Å; H1178-W1206 AromaticContact NE2-CE2 3.93Å; H1178-W1206 AromaticContact NE2-NE1 2.87Å; H1178-W1206 PolarHBondContact NE2-NE1 3.12Å; L1195-W1206 HydrophobicContact CD1-CH2 3.89Å; L1195-W1206 HydrophobicContact CD1-CZ2 4.36Å; L1195-W1206 HydrophobicContact CD2-CH2 4.3Å; L1195-W1206 HydrophobicContact CD2-CZ2 4.23Å; L1195-W1206 HydrophobicContact CG-CH2 4.17Å; L1195-W1206 HydrophobicContact CG-CZ2 4.15Å; S1198-W1206 CarbonylContact O-C 3.6Å; S1198-W1206 WeakPolarHBondContact O-CA 3.4Å; F1199-W1206 HydrophobicContact CB-CB 4.06Å; F1199-W1206 HydrophobicContact CD2-CB 3.85Å; F1199-W1206 HydrophobicContact CG-CB 4.46Å; W1206-L1230 HydrophobicContact CE3-CB 4.35Å; W1206-L1230 HydrophobicContact CH2-CB 3.89Å; W1206-L1230 HydrophobicContact CH2-CD1 3.68Å; W1206-L1230 HydrophobicContact CH2-CG 4.43Å; W1206-L1230 HydrophobicContact CZ3-CB 3.44Å; W1206-L1230 VanDerWaalsContact CZ3-CB 3.44Å; W1206-L1230 HydrophobicContact CZ3-CD1 3.8Å; W1206-L1230 HydrophobicContact CZ3-CG 4.24Å; W1206-D1231 CarbonylContact O-C 3.01Å; W1206-D1231 VanDerWaalsContact O-CA 3.29Å; W1206-D1231 WeakPolarHBondContact O-CA 3.18Å; W1206-Y1232 PolarHBondContact N-O 3.19Å; W1206-Y1232 PolarHBondContact O-N 3Å |
| 1207 | K | 95.4 | Very high | 90.7 | Very high | 89 Ų | 89 | 60.3 Ų | 60.3 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 153.9 | 165 | -62.3 | -176.4 | -179.3 | -97.6 | 0 | 110.6 | G1197 S1198 R1205 L1230 D1231 | G1197-K1207 CarbonylContact C-O 3.41Å; G1197-K1207 VanDerWaalsContact C-O 3.3Å; G1197-K1207 WeakPolarHBondContact CA-O 3.2Å; S1198-K1207 PolarHBondContact N-O 3.43Å; S1198-K1207 PolarHBondContact O-N 2.72Å; R1205-K1207 HydrophobicContact CG-CG 4.4Å; R1205-K1207 VanDerWaalsContact NH2-NZ 3.19Å; K1207-L1230 CarbonylContact C-O 3.45Å; K1207-L1230 VanDerWaalsContact CA-O 3.26Å; K1207-L1230 WeakPolarHBondContact CA-O 3.33Å; K1207-D1231 HydrophobicContact CG-CB 4.42Å; K1207-D1231 WeakPolarHBondContact CG-OD1 3.32Å; K1207-D1231 IonicContact NZ-OD1 3.66Å; K1207-D1231 IonicContact NZ-OD2 3.39Å; K1207-D1231 PolarHBondContact NZ-OD2 2.93Å |
| 1208 | G | 95.3 | Very high | 90 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | -171.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1196 A1229 L1230 | A1196-G1208 CarbonylContact O-C 3.15Å; A1196-G1208 VanDerWaalsContact O-C 3.28Å; A1196-G1208 WeakPolarHBondContact O-CA 3.01Å; G1208-A1229 CarbonylContact O-C 3.54Å; G1208-A1229 WeakPolarHBondContact O-CA 3.27Å; G1208-L1230 PolarHBondContact N-O 3.38Å; G1208-L1230 PolarHBondContact O-N 2.79Å |
| 1209 | T | 96 | Very high | 89.4 | Confident | 57 Ų | 57 | 63.2 Ų | 63.2 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 131.5 | 174.8 | 47.5 | 0 | 0 | 0 | 0 | 109.9 | L1195 A1196 I1228 | L1195-T1209 CarbonylContact C-O 3.52Å; L1195-T1209 WeakPolarHBondContact CA-O 3.36Å; A1196-T1209 PolarHBondContact N-O 3.16Å; A1196-T1209 PolarHBondContact O-N 3.39Å; T1209-I1228 CarbonylContact C-O 3.34Å; T1209-I1228 WeakPolarHBondContact CA-O 3.29Å |
| 1210 | L | 94.5 | Very high | 89.2 | Confident | 26 Ų | 26 | 62.2 Ų | 62.2 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.7 | 164.8 | -177.9 | 73.5 | 0 | 0 | 0 | 107.9 | L1193 N1194 L1195 L1224 D1227 I1228 L1230 | L1193-L1210 HydrophobicContact CB-CD1 4.11Å; L1193-L1210 HydrophobicContact CD1-CD1 4.08Å; L1193-L1210 HydrophobicContact CD2-CD1 4.43Å; L1193-L1210 HydrophobicContact CG-CD1 4.44Å; N1194-L1210 CarbonylContact O-C 3.58Å; N1194-L1210 WeakPolarHBondContact O-CA 3.46Å; L1195-L1210 HydrophobicContact CB-CD1 4.48Å; L1195-L1210 HydrophobicContact CD1-CB 4.05Å; L1195-L1210 HydrophobicContact CD1-CD1 3.92Å; L1210-L1224 HydrophobicContact CD2-CD1 3.93Å; L1210-L1224 HydrophobicContact CG-CD1 4.36Å; L1210-D1227 CarbonylContact O-C 3.38Å; L1210-D1227 VanDerWaalsContact O-CA 3.26Å; L1210-D1227 WeakPolarHBondContact O-CA 3.28Å; L1210-I1228 HydrophobicContact CB-CB 4.26Å; L1210-I1228 HydrophobicContact CB-CG1 4.45Å; L1210-I1228 HydrophobicContact CD2-CD1 4Å; L1210-I1228 PolarHBondContact N-O 2.89Å; L1210-I1228 PolarHBondContact O-N 3Å; L1210-L1230 HydrophobicContact CB-CD1 4.14Å |
| 1211 | S | 92.3 | Very high | 89.3 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 163.7 | -167.7 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | N1194 T1213 D1227 | N1194-S1211 WeakPolarHBondContact CB-OG 3.4Å; N1194-S1211 PolarHBondContact N-O 2.9Å; N1194-S1211 PolarHBondContact O-N 2.93Å; N1194-S1211 PolarHBondContact O-OG 2.74Å; S1211-T1213 PolarHBondContact O-N 2.95Å; S1211-T1213 PolarHBondContact O-OG1 2.92Å; S1211-T1213 VanDerWaalsContact O-OG1 3.09Å; S1211-D1227 WeakPolarHBondContact CA-OD1 3.32Å; S1211-D1227 WeakPolarHBondContact CB-OD1 3.49Å |
| 1212 | N | 88.7 | Confident | 89.9 | Confident | 80 Ų | 80 | 61.4 Ų | 61.4 | 43% | 0.428 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.1 | 22.8 | 170.8 | -177.6 | 39.9 | 0 | 0 | 0 | 114.6 | Q1192 N1194 | Q1192-N1212 WeakPolarHBondContact CG-O 3.39Å; Q1192-N1212 VanDerWaalsContact NE2-CG 3.27Å; Q1192-N1212 PolarHBondContact NE2-ND2 3.11Å; Q1192-N1212 VanDerWaalsContact NE2-ND2 3.11Å; Q1192-N1212 PolarHBondContact NE2-O 2.61Å; Q1192-N1212 PolarHBondContact NE2-OD1 2.89Å; N1194-N1212 HydrophobicContact CB-CB 4.38Å; N1194-N1212 PolarHBondContact ND2-ND2 2.78Å |
| 1213 | T | 92.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 125.8 | -168.4 | -57.9 | 0 | 0 | 0 | 0 | 112.9 | Q1192 L1193 S1211 F1215 L1224 W1246 | Q1192-T1213 WeakPolarHBondContact O-CA 3.49Å; L1193-T1213 HydrophobicContact CB-CG2 3.82Å; L1193-T1213 WeakPolarHBondContact CB-OG1 3.38Å; S1211-T1213 PolarHBondContact O-N 2.95Å; S1211-T1213 PolarHBondContact O-OG1 2.92Å; S1211-T1213 VanDerWaalsContact O-OG1 3.09Å; T1213-F1215 HydrophobicContact CG2-CD2 4.2Å; T1213-F1215 HydrophobicContact CG2-CE2 3.83Å; T1213-L1224 HydrophobicContact CG2-CD1 4.21Å; T1213-L1224 PolarHBondContact O-N 3.3Å; T1213-L1224 VanDerWaalsContact O-N 3.14Å; T1213-W1246 HydrophobicContact CG2-CH2 3.52Å; T1213-W1246 HydrophobicContact CG2-CZ3 3.89Å |
| 1214 | R | 92.8 | Very high | 90.7 | Very high | 139 Ų | 139 | 51.5 Ų | 51.5 | 53% | 0.525 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 140.2 | 177 | 59.4 | -177.5 | -179.7 | -170.5 | -3.6 | 110.8 | G1191 Q1192 W1222 | G1191-R1214 CarbonylContact C-O 3.56Å; G1191-R1214 WeakPolarHBondContact CA-O 3.48Å; Q1192-R1214 HydrophobicContact CG-CG 4.06Å; Q1192-R1214 PolarHBondContact N-O 3.19Å; Q1192-R1214 PolarHBondContact O-N 2.94Å; R1214-W1222 WeakPolarHBondContact CA-O 3.36Å |
| 1215 | F | 93 | Very high | 90.8 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 19% | 0.189 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.2 | 174.8 | -69.9 | -82.1 | 0 | 0 | 0 | 110.9 | I1184 V1189 S1190 L1193 T1213 P1221 W1222 | I1184-F1215 HydrophobicContact CD1-CE1 4.5Å; V1189-F1215 HydrophobicContact CG1-CD1 3.99Å; S1190-F1215 CarbonylContact O-C 3.55Å; S1190-F1215 WeakPolarHBondContact O-CA 3.33Å; L1193-F1215 HydrophobicContact CD2-CE2 4.19Å; L1193-F1215 HydrophobicContact CD2-CZ 4.09Å; L1193-F1215 HydrophobicContact CG-CZ 4.49Å; T1213-F1215 HydrophobicContact CG2-CD2 4.2Å; T1213-F1215 HydrophobicContact CG2-CE2 3.83Å; F1215-P1221 WeakPolarHBondContact O-CA 3.2Å; F1215-W1222 PolarHBondContact N-O 2.95Å; F1215-W1222 PolarHBondContact O-N 3.35Å |
| 1216 | Q | 89.2 | Confident | 90.6 | Very high | 104 Ų | 104 | 55.1 Ų | 55.1 | 49% | 0.486 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 134.3 | 165.2 | -165.8 | 74.1 | -2.2 | 0 | 0 | 108 | V1189 S1190 | V1189-Q1216 WeakPolarHBondContact CA-O 3.14Å; S1190-Q1216 PolarHBondContact O-N 3.35Å |
| 1217 | T | 87.2 | Confident | 90.5 | Very high | 34 Ų | 34 | 58.2 Ų | 58.2 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | trans | -140.3 | 167.9 | 175.9 | 81 | 0 | 0 | 0 | 0 | 110.4 | V1219 G1220 | T1217-V1219 PolarHBondContact O-N 2.79Å; T1217-V1219 VanDerWaalsContact O-N 3.14Å; T1217-V1219 VanDerWaalsContact OG1-CG2 3.31Å; T1217-V1219 WeakPolarHBondContact OG1-CG2 3.48Å; T1217-V1219 PolarHBondContact OG1-N 2.78Å; T1217-G1220 PolarHBondContact N-O 3.22Å; T1217-G1220 WeakPolarHBondContact O-CA 3.38Å; T1217-G1220 PolarHBondContact O-N 2.97Å; T1217-G1220 PolarHBondContact OG1-O 2.99Å | ||
| 1218 | P | 79.5 | Confident | 90.4 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 54% | 0.539 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.8 | 176.1 | -27.9 | 37.3 | 0 | 0 | 0 | 114.9 | P1188 G1220 | P1188-P1218 HydrophobicContact CB-CG 4.12Å; P1218-G1220 VanDerWaalsContact C-N 3.29Å |
| 1219 | V | 82.5 | Confident | 90.4 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 18% | 0.176 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 20.2 | 174.1 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | T1217 N1248 M1278 P1281 F1282 | T1217-V1219 PolarHBondContact O-N 2.79Å; T1217-V1219 VanDerWaalsContact O-N 3.14Å; T1217-V1219 VanDerWaalsContact OG1-CG2 3.31Å; T1217-V1219 WeakPolarHBondContact OG1-CG2 3.48Å; T1217-V1219 PolarHBondContact OG1-N 2.78Å; V1219-N1248 PolarHBondContact O-ND2 2.9Å; V1219-M1278 HydrophobicContact CB-CE 4.11Å; V1219-M1278 WeakPolarHBondContact CG1-O 3.27Å; V1219-M1278 HydrophobicContact CG2-CE 4.08Å; V1219-P1281 HydrophobicContact CG1-CG 4.14Å; V1219-F1282 HydrophobicContact CG1-CD2 4.27Å; V1219-F1282 HydrophobicContact CG1-CE2 3.51Å; V1219-F1282 HydrophobicContact CG1-CZ 4.03Å |
| 1220 | G | 85.1 | Confident | 90.4 | Very high | 20 Ų | 20 | 54.9 Ų | 54.9 | 21% | 0.206 | 29% | 0.294 | C | S | . | . | trans | 90.9 | 178.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1217 P1218 | T1217-G1220 PolarHBondContact N-O 3.22Å; T1217-G1220 WeakPolarHBondContact O-CA 3.38Å; T1217-G1220 PolarHBondContact O-N 2.97Å; T1217-G1220 PolarHBondContact OG1-O 2.99Å; P1218-G1220 VanDerWaalsContact C-N 3.29Å | ||
| 1221 | P | 91 | Very high | 90.5 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | trans | -69.1 | 144.6 | -178 | 27.5 | -33.6 | 0 | 0 | 0 | 112.1 | F1215 N1248 P1249 | F1215-P1221 WeakPolarHBondContact O-CA 3.2Å; P1221-N1248 WeakPolarHBondContact O-CA 3.35Å; P1221-N1248 PolarHBondContact O-ND2 3.43Å; P1221-P1249 HydrophobicContact CG-CG 4.17Å | ||
| 1222 | W | 92.7 | Very high | 90.5 | Very high | 54 Ų | 54 | 57 Ų | 57 | 21% | 0.205 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.7 | 165.9 | -75.6 | 97.8 | 0 | 0 | 0 | 109.6 | R1214 F1215 W1246 L1247 N1248 A1251 M1278 | R1214-W1222 WeakPolarHBondContact CA-O 3.36Å; F1215-W1222 PolarHBondContact N-O 2.95Å; F1215-W1222 PolarHBondContact O-N 3.35Å; W1222-W1246 HydrophobicContact CB-CE3 4.41Å; W1222-W1246 HydrophobicContact CE3-CB 3.85Å; W1222-W1246 HydrophobicContact CZ3-CB 4.02Å; W1222-L1247 WeakPolarHBondContact CA-O 3.41Å; W1222-N1248 HydrophobicContact CD2-CB 3.76Å; W1222-N1248 HydrophobicContact CE3-CB 3.69Å; W1222-N1248 HydrophobicContact CH2-CB 3.78Å; W1222-N1248 HydrophobicContact CZ2-CB 3.8Å; W1222-N1248 HydrophobicContact CZ3-CB 3.7Å; W1222-A1251 HydrophobicContact CH2-CB 3.84Å; W1222-A1251 HydrophobicContact CZ2-CB 4.44Å; W1222-M1278 HydrophobicContact CZ2-CE 3.76Å |
| 1223 | S | 92.8 | Very high | 90.7 | Very high | 45 Ų | 45 | 54.4 Ų | 54.4 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140.2 | 178.8 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | L1247 | S1223-L1247 PolarHBondContact N-O 3.15Å; S1223-L1247 VanDerWaalsContact N-O 3.1Å; S1223-L1247 PolarHBondContact O-N 3.45Å |
| 1224 | L | 91.4 | Very high | 90.4 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 132.5 | 170.5 | -97.1 | 163.3 | 0 | 0 | 0 | 110.7 | L1210 T1213 R1226 I1228 H1244 W1246 | L1210-L1224 HydrophobicContact CD2-CD1 3.93Å; L1210-L1224 HydrophobicContact CG-CD1 4.36Å; T1213-L1224 HydrophobicContact CG2-CD1 4.21Å; T1213-L1224 PolarHBondContact O-N 3.3Å; T1213-L1224 VanDerWaalsContact O-N 3.14Å; L1224-R1226 VanDerWaalsContact C-N 3.35Å; L1224-I1228 HydrophobicContact CD1-CD1 3.79Å; L1224-I1228 HydrophobicContact CD1-CG1 3.76Å; L1224-I1228 HydrophobicContact CD2-CD1 3.86Å; L1224-I1228 HydrophobicContact CD2-CG1 3.68Å; L1224-I1228 HydrophobicContact CG-CD1 4.48Å; L1224-I1228 HydrophobicContact CG-CG1 4.41Å; L1224-H1244 HydrophobicContact CD2-CB 3.84Å; L1224-W1246 HydrophobicContact CD1-CH2 3.86Å; L1224-W1246 HydrophobicContact CD1-CZ2 3.62Å; L1224-W1246 HydrophobicContact CD1-CZ3 4.42Å; L1224-W1246 HydrophobicContact CD2-CD2 4.25Å; L1224-W1246 HydrophobicContact CD2-CG 4.5Å; L1224-W1246 HydrophobicContact CD2-CZ2 4.4Å; L1224-W1246 HydrophobicContact CG-CD2 3.9Å; L1224-W1246 HydrophobicContact CG-CE3 4.07Å; L1224-W1246 HydrophobicContact CG-CH2 4.02Å; L1224-W1246 HydrophobicContact CG-CZ2 3.79Å; L1224-W1246 HydrophobicContact CG-CZ3 4.13Å |
| 1225 | T | 86.5 | Confident | 89.9 | Confident | 76 Ų | 76 | 56 Ų | 56 | 47% | 0.466 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -79.6 | -17.1 | -179.5 | 60.2 | 0 | 0 | 0 | 0 | 114 | C1245 L1247 | T1225-C1245 HydrophobicContact CG2-CB 4.17Å; T1225-C1245 PolarHBondContact N-O 2.85Å; T1225-C1245 PolarHBondContact OG1-O 2.77Å; T1225-L1247 HydrophobicContact CG2-CB 3.98Å |
| 1226 | R | 89.4 | Confident | 89.4 | Confident | 128 Ų | 128 | 57.7 Ų | 57.7 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -161.2 | 166.4 | 173.4 | 61.6 | 177.7 | 173.3 | -135.5 | -16.7 | 109.4 | L1224 P1243 | L1224-R1226 VanDerWaalsContact C-N 3.35Å; R1226-P1243 PolarHBondContact NE-O 3.37Å; R1226-P1243 VanDerWaalsContact NH2-C 3.25Å; R1226-P1243 VanDerWaalsContact NH2-CB 3.29Å; R1226-P1243 PolarHBondContact NH2-O 2.77Å |
| 1227 | D | 92.4 | Very high | 89.1 | Confident | 97 Ų | 97 | 57.1 Ų | 57.1 | 52% | 0.519 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 139.1 | 176.6 | -54.1 | -28.6 | 0 | 0 | 0 | 111.5 | L1210 S1211 | L1210-D1227 CarbonylContact O-C 3.38Å; L1210-D1227 VanDerWaalsContact O-CA 3.26Å; L1210-D1227 WeakPolarHBondContact O-CA 3.28Å; S1211-D1227 WeakPolarHBondContact CA-OD1 3.32Å; S1211-D1227 WeakPolarHBondContact CB-OD1 3.49Å |
| 1228 | I | 94.4 | Very high | 89.2 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.046 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 118 | 174.4 | -41 | -173.7 | 0 | 0 | 0 | 108.9 | T1209 L1210 L1224 L1230 I1241 H1244 | T1209-I1228 CarbonylContact C-O 3.34Å; T1209-I1228 WeakPolarHBondContact CA-O 3.29Å; L1210-I1228 HydrophobicContact CB-CB 4.26Å; L1210-I1228 HydrophobicContact CB-CG1 4.45Å; L1210-I1228 HydrophobicContact CD2-CD1 4Å; L1210-I1228 PolarHBondContact N-O 2.89Å; L1210-I1228 PolarHBondContact O-N 3Å; L1224-I1228 HydrophobicContact CD1-CD1 3.79Å; L1224-I1228 HydrophobicContact CD1-CG1 3.76Å; L1224-I1228 HydrophobicContact CD2-CD1 3.86Å; L1224-I1228 HydrophobicContact CD2-CG1 3.68Å; L1224-I1228 HydrophobicContact CG-CD1 4.48Å; L1224-I1228 HydrophobicContact CG-CG1 4.41Å; I1228-L1230 HydrophobicContact CG2-CD2 4.04Å; I1228-I1241 HydrophobicContact CG2-CG2 3.58Å; I1228-H1244 HydrophobicContact CD1-CB 4.25Å; I1228-H1244 HydrophobicContact CG1-CB 3.78Å; I1228-H1244 HydrophobicContact CG2-CB 4.49Å |
| 1229 | A | 95.3 | Very high | 89.9 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 45% | 0.446 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 144.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G1208 G1242 | G1208-A1229 CarbonylContact O-C 3.54Å; G1208-A1229 WeakPolarHBondContact O-CA 3.27Å; A1229-G1242 PolarHBondContact O-N 2.67Å |
| 1230 | L | 95.2 | Very high | 90.5 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 13% | 0.131 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 145.9 | -178.1 | -60.4 | 169.3 | 0 | 0 | 0 | 109.8 | L1195 W1206 K1207 G1208 L1210 I1228 I1239 S1240 I1241 | L1195-L1230 HydrophobicContact CD1-CD1 3.82Å; W1206-L1230 HydrophobicContact CE3-CB 4.35Å; W1206-L1230 HydrophobicContact CH2-CB 3.89Å; W1206-L1230 HydrophobicContact CH2-CD1 3.68Å; W1206-L1230 HydrophobicContact CH2-CG 4.43Å; W1206-L1230 HydrophobicContact CZ3-CB 3.44Å; W1206-L1230 VanDerWaalsContact CZ3-CB 3.44Å; W1206-L1230 HydrophobicContact CZ3-CD1 3.8Å; W1206-L1230 HydrophobicContact CZ3-CG 4.24Å; K1207-L1230 CarbonylContact C-O 3.45Å; K1207-L1230 VanDerWaalsContact CA-O 3.26Å; K1207-L1230 WeakPolarHBondContact CA-O 3.33Å; G1208-L1230 PolarHBondContact N-O 3.38Å; G1208-L1230 PolarHBondContact O-N 2.79Å; L1210-L1230 HydrophobicContact CB-CD1 4.14Å; I1228-L1230 HydrophobicContact CG2-CD2 4.04Å; L1230-I1239 HydrophobicContact CB-CD1 4.43Å; L1230-I1239 HydrophobicContact CD2-CD1 4.16Å; L1230-S1240 CarbonylContact C-O 3.35Å; L1230-S1240 VanDerWaalsContact CA-O 3.22Å; L1230-S1240 WeakPolarHBondContact CA-O 3.47Å; L1230-I1241 HydrophobicContact CD2-CB 4.21Å; L1230-I1241 HydrophobicContact CD2-CG1 3.99Å; L1230-I1241 HydrophobicContact CD2-CG2 3.87Å |
| 1231 | D | 95.7 | Very high | 90.9 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 72.5 | -175.2 | -162.2 | -16.3 | 0 | 0 | 0 | 112.8 | R1205 W1206 K1207 R1233 K1238 I1239 S1240 | R1205-D1231 WeakPolarHBondContact CG-OD1 3.46Å; R1205-D1231 IonicContact CZ-OD1 3.23Å; R1205-D1231 IonicContact CZ-OD2 3.68Å; R1205-D1231 IonicContact NE-OD1 3.25Å; R1205-D1231 PolarHBondContact NE-OD1 2.96Å; R1205-D1231 IonicContact NE-OD2 3.56Å; R1205-D1231 PolarHBondContact NE-OD2 2.77Å; R1205-D1231 IonicContact NH2-OD1 2.73Å; R1205-D1231 PolarHBondContact NH2-OD1 2.8Å; R1205-D1231 IonicContact NH2-OD2 2.68Å; R1205-D1231 PolarHBondContact NH2-OD2 3.35Å; W1206-D1231 CarbonylContact O-C 3.01Å; W1206-D1231 VanDerWaalsContact O-CA 3.29Å; W1206-D1231 WeakPolarHBondContact O-CA 3.18Å; K1207-D1231 HydrophobicContact CG-CB 4.42Å; K1207-D1231 WeakPolarHBondContact CG-OD1 3.32Å; K1207-D1231 IonicContact NZ-OD1 3.66Å; K1207-D1231 IonicContact NZ-OD2 3.39Å; K1207-D1231 PolarHBondContact NZ-OD2 2.93Å; D1231-R1233 PolarHBondContact O-N 3.1Å; D1231-K1238 VanDerWaalsContact O-O 3.11Å; D1231-I1239 CarbonylContact O-C 3.59Å; D1231-I1239 WeakPolarHBondContact O-CA 3.5Å; D1231-S1240 PolarHBondContact N-O 2.9Å; D1231-S1240 PolarHBondContact O-N 2.81Å |
| 1232 | Y | 92.8 | Very high | 91 | Very high | 73 Ų | 73 | 52.9 Ų | 52.9 | 29% | 0.286 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 95.2 | 178.5 | 179.5 | -119.4 | 0 | 0 | 0 | 113.4 | R1205 W1206 N1234 Q1237 K1238 I1239 | R1205-Y1232 CarbonylContact C-O 3.53Å; R1205-Y1232 WeakPolarHBondContact CA-O 3.38Å; W1206-Y1232 PolarHBondContact N-O 3.19Å; W1206-Y1232 PolarHBondContact O-N 3Å; Y1232-N1234 HydrophobicContact CE1-CB 3.86Å; Y1232-N1234 PolarHBondContact O-N 3.26Å; Y1232-N1234 PolarHBondContact OH-OD1 2.78Å; Y1232-Q1237 PolarHBondContact OH-OE1 2.8Å; Y1232-K1238 CarbonylContact C-O 3.57Å; Y1232-K1238 VanDerWaalsContact CA-O 3.32Å; Y1232-K1238 WeakPolarHBondContact CA-O 3.45Å; Y1232-I1239 HydrophobicContact CD2-CB 4.03Å; Y1232-I1239 HydrophobicContact CG-CB 4.46Å |
| 1233 | R | 93.2 | Very high | 91.1 | Very high | 26 Ų | 26 | 52.4 Ų | 52.4 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 87.4 | 171.3 | -62.2 | 169.7 | -66.2 | 156.9 | 0.2 | 110 | R1205 D1231 K1235 E1236 Q1237 K1238 D1260 | R1205-R1233 HydrophobicContact CB-CG 4.29Å; R1205-R1233 HydrophobicContact CG-CG 3.61Å; D1231-R1233 PolarHBondContact O-N 3.1Å; R1233-K1235 PolarHBondContact O-N 3.06Å; R1233-E1236 HydrophobicContact CB-CB 4.19Å; R1233-E1236 HydrophobicContact CB-CG 4.47Å; R1233-E1236 WeakPolarHBondContact CD-OE1 3.49Å; R1233-E1236 IonicContact CZ-OE1 3.18Å; R1233-E1236 IonicContact CZ-OE2 3.29Å; R1233-E1236 IonicContact NE-OE1 2.64Å; R1233-E1236 IonicContact NH1-OE1 3.61Å; R1233-E1236 PolarHBondContact NH1-OE1 2.66Å; R1233-E1236 IonicContact NH1-OE2 2.68Å; R1233-E1236 PolarHBondContact NH1-OE2 3.32Å; R1233-E1236 IonicContact NH2-OE2 3.88Å; R1233-E1236 CarbonylContact O-C 3.58Å; R1233-E1236 WeakPolarHBondContact O-CA 3.29Å; R1233-E1236 PolarHBondContact O-N 3.28Å; R1233-Q1237 CarbonylContact O-C 3.58Å; R1233-Q1237 WeakPolarHBondContact O-CA 3.34Å; R1233-Q1237 PolarHBondContact O-N 2.85Å; R1233-K1238 PolarHBondContact N-O 3.44Å; R1233-K1238 VanDerWaalsContact NH2-CD 3.33Å; R1233-K1238 PolarHBondContact O-N 2.86Å; R1233-D1260 IonicContact CZ-OD1 2.73Å; R1233-D1260 IonicContact CZ-OD2 3.88Å; R1233-D1260 IonicContact NH2-OD1 3.77Å; R1233-D1260 PolarHBondContact NH2-OD1 3.04Å; R1233-D1260 IonicContact NH2-OD2 3.77Å; R1233-D1260 PolarHBondContact NH2-OD2 2.9Å |
| 1234 | N | 85.5 | Confident | 91.2 | Very high | 49 Ų | 49 | 51 Ų | 51 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -57 | -32.3 | 177.8 | -177.5 | 87.7 | 0 | 0 | 0 | 112.6 | F1199 E1204 Y1232 E1236 Q1237 | F1199-N1234 HydrophobicContact CE2-CB 4.38Å; E1204-N1234 HydrophobicContact CB-CB 3.77Å; E1204-N1234 WeakPolarHBondContact O-CA 3.35Å; E1204-N1234 WeakPolarHBondContact O-CB 3.44Å; E1204-N1234 PolarHBondContact O-N 2.96Å; E1204-N1234 PolarHBondContact OE2-ND2 3.13Å; Y1232-N1234 HydrophobicContact CE1-CB 3.86Å; Y1232-N1234 PolarHBondContact O-N 3.26Å; Y1232-N1234 PolarHBondContact OH-OD1 2.78Å; N1234-E1236 VanDerWaalsContact C-N 3.26Å; N1234-E1236 PolarHBondContact O-N 2.66Å; N1234-Q1237 WeakPolarHBondContact O-CA 3.41Å; N1234-Q1237 WeakPolarHBondContact O-CG 3.35Å; N1234-Q1237 PolarHBondContact O-N 3.11Å; N1234-Q1237 PolarHBondContact O-NE2 3.35Å; N1234-Q1237 PolarHBondContact OD1-NE2 3.03Å |
| 1235 | K | 82.4 | Confident | 91.4 | Very high | 127 Ų | 127 | 50.6 Ų | 50.6 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -60.5 | -31.8 | 171.7 | -79.9 | -167.3 | 172 | -178.6 | 0 | 114.7 | K1202 E1204 R1233 | K1202-K1235 VanDerWaalsContact O-CE 3.28Å; K1202-K1235 WeakPolarHBondContact O-CE 3.36Å; K1202-K1235 PolarHBondContact O-NZ 2.96Å; E1204-K1235 HydrophobicContact CB-CG 3.94Å; E1204-K1235 VanDerWaalsContact CD-CE 3.47Å; E1204-K1235 HydrophobicContact CG-CD 4.38Å; E1204-K1235 HydrophobicContact CG-CG 3.84Å; E1204-K1235 WeakPolarHBondContact OE1-CE 3.36Å; E1204-K1235 WeakPolarHBondContact OE1-CG 3.43Å; E1204-K1235 IonicContact OE1-NZ 3.08Å; E1204-K1235 WeakPolarHBondContact OE2-CG 3.16Å; R1233-K1235 PolarHBondContact O-N 3.06Å |
| 1236 | E | 82.7 | Confident | 91.7 | Very high | 79 Ų | 79 | 49.8 Ų | 49.8 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -96.6 | -3.3 | 172.5 | -63.2 | -177 | -119.5 | 0 | 0 | 111.8 | R1233 N1234 K1238 | R1233-E1236 HydrophobicContact CB-CB 4.19Å; R1233-E1236 HydrophobicContact CB-CG 4.47Å; R1233-E1236 WeakPolarHBondContact CD-OE1 3.49Å; R1233-E1236 IonicContact CZ-OE1 3.18Å; R1233-E1236 IonicContact CZ-OE2 3.29Å; R1233-E1236 IonicContact NE-OE1 2.64Å; R1233-E1236 IonicContact NH1-OE1 3.61Å; R1233-E1236 PolarHBondContact NH1-OE1 2.66Å; R1233-E1236 IonicContact NH1-OE2 2.68Å; R1233-E1236 PolarHBondContact NH1-OE2 3.32Å; R1233-E1236 IonicContact NH2-OE2 3.88Å; R1233-E1236 CarbonylContact O-C 3.58Å; R1233-E1236 WeakPolarHBondContact O-CA 3.29Å; R1233-E1236 PolarHBondContact O-N 3.28Å; N1234-E1236 VanDerWaalsContact C-N 3.26Å; N1234-E1236 PolarHBondContact O-N 2.66Å; E1236-K1238 HydrophobicContact CB-CB 4.11Å; E1236-K1238 HydrophobicContact CB-CD 3.89Å; E1236-K1238 HydrophobicContact CB-CG 4.01Å; E1236-K1238 WeakPolarHBondContact O-CG 3.23Å; E1236-K1238 PolarHBondContact O-N 2.86Å; E1236-K1238 WeakPolarHBondContact OE2-CD 3.23Å; E1236-K1238 IonicContact OE2-NZ 3.09Å; E1236-K1238 PolarHBondContact OE2-NZ 2.72Å; E1236-K1238 VanDerWaalsContact OE2-NZ 3.09Å |
| 1237 | Q | 82.7 | Confident | 91.9 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 24.6 | -162.4 | -72.1 | -63.2 | -33.5 | 0 | 0 | 114.8 | Y1232 R1233 N1234 G1262 | Y1232-Q1237 PolarHBondContact OH-OE1 2.8Å; R1233-Q1237 CarbonylContact O-C 3.58Å; R1233-Q1237 WeakPolarHBondContact O-CA 3.34Å; R1233-Q1237 PolarHBondContact O-N 2.85Å; N1234-Q1237 WeakPolarHBondContact O-CA 3.41Å; N1234-Q1237 WeakPolarHBondContact O-CG 3.35Å; N1234-Q1237 PolarHBondContact O-N 3.11Å; N1234-Q1237 PolarHBondContact O-NE2 3.35Å; N1234-Q1237 PolarHBondContact OD1-NE2 3.03Å; Q1237-G1262 WeakPolarHBondContact O-CA 3.45Å |
| 1238 | K | 89.8 | Confident | 91.8 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 10% | 0.096 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.6 | -172.1 | -72.2 | 171.6 | -166 | 171 | 0 | 114.8 | D1231 Y1232 R1233 E1236 A1261 E1264 | D1231-K1238 VanDerWaalsContact O-O 3.11Å; Y1232-K1238 CarbonylContact C-O 3.57Å; Y1232-K1238 VanDerWaalsContact CA-O 3.32Å; Y1232-K1238 WeakPolarHBondContact CA-O 3.45Å; R1233-K1238 PolarHBondContact N-O 3.44Å; R1233-K1238 VanDerWaalsContact NH2-CD 3.33Å; R1233-K1238 PolarHBondContact O-N 2.86Å; E1236-K1238 HydrophobicContact CB-CB 4.11Å; E1236-K1238 HydrophobicContact CB-CD 3.89Å; E1236-K1238 HydrophobicContact CB-CG 4.01Å; E1236-K1238 WeakPolarHBondContact O-CG 3.23Å; E1236-K1238 PolarHBondContact O-N 2.86Å; E1236-K1238 WeakPolarHBondContact OE2-CD 3.23Å; E1236-K1238 IonicContact OE2-NZ 3.09Å; E1236-K1238 PolarHBondContact OE2-NZ 2.72Å; E1236-K1238 VanDerWaalsContact OE2-NZ 3.09Å; K1238-A1261 CarbonylContact C-O 3.43Å; K1238-A1261 VanDerWaalsContact CA-O 3.31Å; K1238-A1261 WeakPolarHBondContact CA-O 3.43Å; K1238-E1264 WeakPolarHBondContact CE-OE1 3.31Å; K1238-E1264 IonicContact NZ-OE1 2.7Å; K1238-E1264 PolarHBondContact NZ-OE1 2.71Å |
| 1239 | I | 94.3 | Very high | 91.5 | Very high | 45 Ų | 45 | 46 Ų | 46 | 23% | 0.231 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.1 | 163.4 | -171.8 | 170.3 | 0 | 0 | 0 | 112.3 | L1230 D1231 Y1232 I1241 A1261 | L1230-I1239 HydrophobicContact CB-CD1 4.43Å; L1230-I1239 HydrophobicContact CD2-CD1 4.16Å; D1231-I1239 CarbonylContact O-C 3.59Å; D1231-I1239 WeakPolarHBondContact O-CA 3.5Å; Y1232-I1239 HydrophobicContact CD2-CB 4.03Å; Y1232-I1239 HydrophobicContact CG-CB 4.46Å; I1239-I1241 HydrophobicContact CD1-CG1 4.16Å; I1239-I1241 HydrophobicContact CG1-CG1 3.95Å; I1239-I1241 HydrophobicContact CG2-CD1 4.17Å; I1239-I1241 HydrophobicContact CG2-CG1 4.12Å; I1239-A1261 HydrophobicContact CG2-CB 4.01Å; I1239-A1261 PolarHBondContact N-O 2.81Å; I1239-A1261 WeakPolarHBondContact O-CB 3.39Å; I1239-A1261 PolarHBondContact O-N 2.99Å |
| 1240 | S | 94.4 | Very high | 91.2 | Very high | 18 Ų | 18 | 47.1 Ų | 47.1 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 114.3 | 166.1 | -35.4 | 0 | 0 | 0 | 0 | 109.9 | L1230 D1231 I1259 D1260 | L1230-S1240 CarbonylContact C-O 3.35Å; L1230-S1240 VanDerWaalsContact CA-O 3.22Å; L1230-S1240 WeakPolarHBondContact CA-O 3.47Å; D1231-S1240 PolarHBondContact N-O 2.9Å; D1231-S1240 PolarHBondContact O-N 2.81Å; S1240-I1259 CarbonylContact C-O 3.55Å; S1240-I1259 WeakPolarHBondContact CA-O 3.25Å; S1240-D1260 WeakPolarHBondContact CA-OD1 3.14Å; S1240-D1260 WeakPolarHBondContact CB-OD1 3.43Å; S1240-D1260 PolarHBondContact OG-OD1 2.88Å |
| 1241 | I | 95 | Very high | 91.1 | Very high | 41 Ų | 41 | 45.9 Ų | 45.9 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114.7 | 178.4 | -52.5 | 175.2 | 0 | 0 | 0 | 108.4 | I1228 L1230 I1239 T1258 I1259 | I1228-I1241 HydrophobicContact CG2-CG2 3.58Å; L1230-I1241 HydrophobicContact CD2-CB 4.21Å; L1230-I1241 HydrophobicContact CD2-CG1 3.99Å; L1230-I1241 HydrophobicContact CD2-CG2 3.87Å; I1239-I1241 HydrophobicContact CD1-CG1 4.16Å; I1239-I1241 HydrophobicContact CG1-CG1 3.95Å; I1239-I1241 HydrophobicContact CG2-CD1 4.17Å; I1239-I1241 HydrophobicContact CG2-CG1 4.12Å; I1241-T1258 CarbonylContact O-C 3.56Å; I1241-T1258 WeakPolarHBondContact O-CA 3.46Å; I1241-I1259 HydrophobicContact CB-CB 4.14Å; I1241-I1259 PolarHBondContact N-O 2.86Å; I1241-I1259 PolarHBondContact O-N 3.2Å |
| 1242 | G | 93.2 | Very high | 91 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | trans | -64.9 | 158.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1229 H1244 | A1229-G1242 PolarHBondContact O-N 2.67Å; G1242-H1244 PolarHBondContact O-N 3.37Å; G1242-H1244 PolarHBondContact O-ND1 2.89Å | ||
| 1243 | P | 95 | Very high | 91 | Very high | 43 Ų | 43 | 46.9 Ų | 46.9 | 28% | 0.279 | 24% | 0.239 | S | C | . | . | trans | -57.9 | 134.6 | 178.5 | -21.6 | 31.3 | 0 | 0 | 0 | 111.7 | R1226 V1255 | R1226-P1243 PolarHBondContact NE-O 3.37Å; R1226-P1243 VanDerWaalsContact NH2-C 3.25Å; R1226-P1243 VanDerWaalsContact NH2-CB 3.29Å; R1226-P1243 PolarHBondContact NH2-O 2.77Å; P1243-V1255 CarbonylContact C-O 3.58Å; P1243-V1255 WeakPolarHBondContact CA-O 3.44Å | ||
| 1244 | H | 95 | Very high | 91.1 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 7% | 0.069 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 167.8 | -179.2 | 63.8 | -87.1 | 0 | 0 | 0 | 111.6 | L1224 I1228 G1242 W1246 V1255 | L1224-H1244 HydrophobicContact CD2-CB 3.84Å; I1228-H1244 HydrophobicContact CD1-CB 4.25Å; I1228-H1244 HydrophobicContact CG1-CB 3.78Å; I1228-H1244 HydrophobicContact CG2-CB 4.49Å; G1242-H1244 PolarHBondContact O-N 3.37Å; G1242-H1244 PolarHBondContact O-ND1 2.89Å; H1244-W1246 AromaticContact CD2-CD1 3.63Å; H1244-W1246 AromaticContact CD2-NE1 3.52Å; H1244-W1246 AromaticContact NE2-CD1 3.85Å; H1244-W1246 AromaticContact NE2-NE1 3.56Å; H1244-V1255 VanDerWaalsContact CE1-CG2 3.5Å; H1244-V1255 WeakPolarHBondContact CE1-CG2 3.38Å; H1244-V1255 PolarHBondContact N-O 3.04Å; H1244-V1255 CarbonylContact O-C 3.58Å; H1244-V1255 PolarHBondContact O-N 3.01Å |
| 1245 | C | 94.4 | Very high | 91.5 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 12% | 0.122 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 145.2 | 166.4 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | T1225 L1253 C1254 | T1225-C1245 HydrophobicContact CG2-CB 4.17Å; T1225-C1245 PolarHBondContact N-O 2.85Å; T1225-C1245 PolarHBondContact OG1-O 2.77Å; C1245-L1253 CarbonylContact C-O 3.59Å; C1245-L1253 WeakPolarHBondContact CA-O 3.22Å; C1245-C1254 HydrophobicContact CB-CB 4.07Å; C1245-C1254 WeakPolarHBondContact CB-SG 3.3Å; C1245-C1254 VanDerWaalsContact SG-CA 3.59Å; C1245-C1254 WeakPolarHBondContact SG-CB 3.42Å; C1245-C1254 CovalentContact SG-SG 2.04Å; C1245-C1254 PolarHBondContact SG-SG 2.78Å |
| 1246 | W | 93.9 | Very high | 92 | Very high | 59 Ų | 59 | 40.8 Ų | 40.8 | 22% | 0.223 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.5 | 168.8 | -68.8 | 89.4 | 0 | 0 | 0 | 109.1 | T1213 W1222 L1224 H1244 L1253 | T1213-W1246 HydrophobicContact CG2-CH2 3.52Å; T1213-W1246 HydrophobicContact CG2-CZ3 3.89Å; W1222-W1246 HydrophobicContact CB-CE3 4.41Å; W1222-W1246 HydrophobicContact CE3-CB 3.85Å; W1222-W1246 HydrophobicContact CZ3-CB 4.02Å; L1224-W1246 HydrophobicContact CD1-CH2 3.86Å; L1224-W1246 HydrophobicContact CD1-CZ2 3.62Å; L1224-W1246 HydrophobicContact CD1-CZ3 4.42Å; L1224-W1246 HydrophobicContact CD2-CD2 4.25Å; L1224-W1246 HydrophobicContact CD2-CG 4.5Å; L1224-W1246 HydrophobicContact CD2-CZ2 4.4Å; L1224-W1246 HydrophobicContact CG-CD2 3.9Å; L1224-W1246 HydrophobicContact CG-CE3 4.07Å; L1224-W1246 HydrophobicContact CG-CH2 4.02Å; L1224-W1246 HydrophobicContact CG-CZ2 3.79Å; L1224-W1246 HydrophobicContact CG-CZ3 4.13Å; H1244-W1246 AromaticContact CD2-CD1 3.63Å; H1244-W1246 AromaticContact CD2-NE1 3.52Å; H1244-W1246 AromaticContact NE2-CD1 3.85Å; H1244-W1246 AromaticContact NE2-NE1 3.56Å; W1246-L1253 HydrophobicContact CB-CB 4.41Å; W1246-L1253 PolarHBondContact N-O 2.95Å; W1246-L1253 PolarHBondContact O-N 3.02Å |
| 1247 | L | 91.9 | Very high | 92.5 | Very high | 67 Ų | 67 | 42.5 Ų | 42.5 | 35% | 0.351 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.1 | -177.8 | -172.2 | 70.8 | 0 | 0 | 0 | 110.7 | W1222 S1223 T1225 R1273 | W1222-L1247 WeakPolarHBondContact CA-O 3.41Å; S1223-L1247 PolarHBondContact N-O 3.15Å; S1223-L1247 VanDerWaalsContact N-O 3.1Å; S1223-L1247 PolarHBondContact O-N 3.45Å; T1225-L1247 HydrophobicContact CG2-CB 3.98Å; L1247-R1273 VanDerWaalsContact CD1-NH2 3.29Å |
| 1248 | N | 91.9 | Very high | 93 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 156.4 | 163.7 | 177.7 | -78 | 0 | 0 | 0 | 108.3 | V1219 P1221 W1222 N1250 A1251 R1273 M1278 | V1219-N1248 PolarHBondContact O-ND2 2.9Å; P1221-N1248 WeakPolarHBondContact O-CA 3.35Å; P1221-N1248 PolarHBondContact O-ND2 3.43Å; W1222-N1248 HydrophobicContact CD2-CB 3.76Å; W1222-N1248 HydrophobicContact CE3-CB 3.69Å; W1222-N1248 HydrophobicContact CH2-CB 3.78Å; W1222-N1248 HydrophobicContact CZ2-CB 3.8Å; W1222-N1248 HydrophobicContact CZ3-CB 3.7Å; N1248-N1250 PolarHBondContact O-N 2.74Å; N1248-N1250 PolarHBondContact OD1-N 2.93Å; N1248-A1251 CarbonylContact C-O 3.57Å; N1248-A1251 HydrophobicContact CB-CB 4.46Å; N1248-A1251 PolarHBondContact N-O 2.78Å; N1248-R1273 PolarHBondContact O-NH2 2.84Å; N1248-M1278 HydrophobicContact CB-CE 4.3Å; N1248-M1278 VanDerWaalsContact CG-CE 3.4Å; N1248-M1278 WeakPolarHBondContact ND2-CE 3.29Å; N1248-M1278 VanDerWaalsContact OD1-CE 3.28Å; N1248-M1278 WeakPolarHBondContact OD1-CE 3.44Å |
| 1249 | P | 86.5 | Confident | 93 | Very high | 84 Ų | 84 | 41.9 Ų | 41.9 | 55% | 0.545 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -39.1 | 172.9 | -30.2 | 37.3 | 0 | 0 | 0 | 113.5 | P1221 R1273 | P1221-P1249 HydrophobicContact CG-CG 4.17Å; P1249-R1273 PolarHBondContact O-NH1 3.33Å |
| 1250 | N | 89.9 | Confident | 92.9 | Very high | 77 Ų | 77 | 42.2 Ų | 42.2 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 5.1 | -170.5 | -63.6 | -13.2 | 0 | 0 | 0 | 114.3 | N1248 D1275 M1278 | N1248-N1250 PolarHBondContact O-N 2.74Å; N1248-N1250 PolarHBondContact OD1-N 2.93Å; N1250-D1275 HydrophobicContact CB-CB 4.25Å; N1250-D1275 PolarHBondContact O-N 2.76Å; N1250-M1278 HydrophobicContact CB-CG 3.51Å; N1250-M1278 HydrophobicContact CB-SD 3.67Å |
| 1251 | A | 92.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 159.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1222 N1248 R1273 F1274 M1278 | W1222-A1251 HydrophobicContact CH2-CB 3.84Å; W1222-A1251 HydrophobicContact CZ2-CB 4.44Å; N1248-A1251 CarbonylContact C-O 3.57Å; N1248-A1251 HydrophobicContact CB-CB 4.46Å; N1248-A1251 PolarHBondContact N-O 2.78Å; A1251-R1273 PolarHBondContact O-NH2 2.72Å; A1251-R1273 VanDerWaalsContact O-NH2 3.11Å; A1251-F1274 HydrophobicContact CB-CB 4.38Å; A1251-F1274 HydrophobicContact CB-CD2 3.71Å; A1251-F1274 HydrophobicContact CB-CG 4.45Å; A1251-M1278 HydrophobicContact CB-CE 4.42Å; A1251-M1278 HydrophobicContact CB-SD 3.51Å; A1251-M1278 VanDerWaalsContact CB-SD 3.51Å |
| 1252 | E | 94.1 | Very high | 92.1 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 126.1 | 168 | 171.7 | -176.7 | -99.8 | 0 | 0 | 109.7 | N1272 R1273 | E1252-N1272 HydrophobicContact CB-CB 4.07Å; E1252-N1272 HydrophobicContact CG-CB 4.37Å; E1252-N1272 PolarHBondContact N-O 2.88Å; E1252-N1272 PolarHBondContact O-N 2.8Å; E1252-N1272 WeakPolarHBondContact OE2-CB 3.33Å; E1252-N1272 PolarHBondContact OE2-ND2 3.2Å; E1252-R1273 HydrophobicContact CB-CG 4.44Å |
| 1253 | L | 93.4 | Very high | 91.6 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 34% | 0.34 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 106.5 | 177.5 | -178.5 | 66.8 | 0 | 0 | 0 | 108.9 | C1245 W1246 V1269 L1271 | C1245-L1253 CarbonylContact C-O 3.59Å; C1245-L1253 WeakPolarHBondContact CA-O 3.22Å; W1246-L1253 HydrophobicContact CB-CB 4.41Å; W1246-L1253 PolarHBondContact N-O 2.95Å; W1246-L1253 PolarHBondContact O-N 3.02Å; L1253-V1269 HydrophobicContact CD1-CG1 3.59Å; L1253-V1269 HydrophobicContact CG-CG1 4.37Å; L1253-L1271 HydrophobicContact CD1-CD1 4.17Å |
| 1254 | C | 94.9 | Very high | 91.1 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.8 | -175.2 | -80.5 | 0 | 0 | 0 | 0 | 112.4 | C1245 P1256 V1269 N1270 | C1245-C1254 HydrophobicContact CB-CB 4.07Å; C1245-C1254 WeakPolarHBondContact CB-SG 3.3Å; C1245-C1254 VanDerWaalsContact SG-CA 3.59Å; C1245-C1254 WeakPolarHBondContact SG-CB 3.42Å; C1245-C1254 CovalentContact SG-SG 2.04Å; C1245-C1254 PolarHBondContact SG-SG 2.78Å; C1254-P1256 WeakPolarHBondContact O-CD 3.29Å; C1254-V1269 CarbonylContact O-C 3.47Å; C1254-V1269 WeakPolarHBondContact O-CA 3.48Å; C1254-N1270 HydrophobicContact CB-CB 4.33Å; C1254-N1270 PolarHBondContact N-O 3.49Å; C1254-N1270 PolarHBondContact O-N 2.73Å |
| 1255 | V | 93.7 | Very high | 90.9 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 92.4 | 164.2 | 173 | 0 | 0 | 0 | 0 | 106.4 | P1243 H1244 Q1257 I1259 V1269 | P1243-V1255 CarbonylContact C-O 3.58Å; P1243-V1255 WeakPolarHBondContact CA-O 3.44Å; H1244-V1255 VanDerWaalsContact CE1-CG2 3.5Å; H1244-V1255 WeakPolarHBondContact CE1-CG2 3.38Å; H1244-V1255 PolarHBondContact N-O 3.04Å; H1244-V1255 CarbonylContact O-C 3.58Å; H1244-V1255 PolarHBondContact O-N 3.01Å; V1255-Q1257 VanDerWaalsContact C-N 3.33Å; V1255-Q1257 VanDerWaalsContact CG1-O 3.32Å; V1255-Q1257 WeakPolarHBondContact CG1-O 3.46Å; V1255-Q1257 PolarHBondContact O-N 3.11Å; V1255-I1259 HydrophobicContact CG1-CD1 3.64Å; V1255-I1259 HydrophobicContact CG1-CG1 3.52Å; V1255-I1259 HydrophobicContact CG2-CD1 4.18Å; V1255-V1269 HydrophobicContact CG2-CG1 4.42Å; V1255-V1269 HydrophobicContact CG2-CG2 4.35Å |
| 1256 | P | 93.2 | Very high | 90.9 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | trans | -76.8 | -15.3 | -168.9 | 30.2 | -37.9 | 0 | 0 | 0 | 114.6 | C1254 V1268 | C1254-P1256 WeakPolarHBondContact O-CD 3.29Å; P1256-V1268 WeakPolarHBondContact CD-O 3.3Å; P1256-V1268 HydrophobicContact CG-CB 4.34Å; P1256-V1268 HydrophobicContact CG-CG1 3.76Å | ||
| 1257 | Q | 92.6 | Very high | 90.9 | Very high | 115 Ų | 115 | 47.4 Ų | 47.4 | 54% | 0.537 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -128.9 | 159.6 | -177.7 | -65.8 | -178.2 | -7.4 | 0 | 0 | 109.6 | V1255 I1259 | V1255-Q1257 VanDerWaalsContact C-N 3.33Å; V1255-Q1257 VanDerWaalsContact CG1-O 3.32Å; V1255-Q1257 WeakPolarHBondContact CG1-O 3.46Å; V1255-Q1257 PolarHBondContact O-N 3.11Å; Q1257-I1259 PolarHBondContact O-N 2.81Å; Q1257-I1259 VanDerWaalsContact O-N 3.08Å |
| 1258 | T | 93 | Very high | 91.1 | Very high | 84 Ų | 84 | 44.6 Ų | 44.6 | 52% | 0.515 | 25% | 0.247 | S | C | . | . | trans | -63 | 114.3 | 172.3 | -51.6 | 0 | 0 | 0 | 0 | 107.9 | I1241 | I1241-T1258 CarbonylContact O-C 3.56Å; I1241-T1258 WeakPolarHBondContact O-CA 3.46Å | ||
| 1259 | I | 91.1 | Very high | 91.2 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 9% | 0.087 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 136.5 | 164.1 | -52.7 | 179.5 | 0 | 0 | 0 | 106 | S1240 I1241 V1255 Q1257 A1261 R1266 A1267 W1301 | S1240-I1259 CarbonylContact C-O 3.55Å; S1240-I1259 WeakPolarHBondContact CA-O 3.25Å; I1241-I1259 HydrophobicContact CB-CB 4.14Å; I1241-I1259 PolarHBondContact N-O 2.86Å; I1241-I1259 PolarHBondContact O-N 3.2Å; V1255-I1259 HydrophobicContact CG1-CD1 3.64Å; V1255-I1259 HydrophobicContact CG1-CG1 3.52Å; V1255-I1259 HydrophobicContact CG2-CD1 4.18Å; Q1257-I1259 PolarHBondContact O-N 2.81Å; Q1257-I1259 VanDerWaalsContact O-N 3.08Å; I1259-A1261 HydrophobicContact CG2-CB 3.7Å; I1259-R1266 WeakPolarHBondContact CA-O 3.43Å; I1259-R1266 WeakPolarHBondContact CG2-O 3.17Å; I1259-A1267 HydrophobicContact CB-CB 4.45Å; I1259-A1267 HydrophobicContact CD1-CB 3.86Å; I1259-A1267 HydrophobicContact CG1-CB 3.99Å; I1259-A1267 HydrophobicContact CG2-CB 3.75Å; I1259-W1301 HydrophobicContact CG2-CH2 4.27Å |
| 1260 | D | 90.5 | Very high | 91.6 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 118 | 165.6 | -159.8 | 26.9 | 0 | 0 | 0 | 107.3 | R1233 S1240 G1265 R1266 | R1233-D1260 IonicContact CZ-OD1 2.73Å; R1233-D1260 IonicContact CZ-OD2 3.88Å; R1233-D1260 IonicContact NH2-OD1 3.77Å; R1233-D1260 PolarHBondContact NH2-OD1 3.04Å; R1233-D1260 IonicContact NH2-OD2 3.77Å; R1233-D1260 PolarHBondContact NH2-OD2 2.9Å; S1240-D1260 WeakPolarHBondContact CA-OD1 3.14Å; S1240-D1260 WeakPolarHBondContact CB-OD1 3.43Å; S1240-D1260 PolarHBondContact OG-OD1 2.88Å; D1260-G1265 CarbonylContact O-C 3.55Å; D1260-G1265 VanDerWaalsContact O-C 3.31Å; D1260-G1265 WeakPolarHBondContact O-CA 3.47Å; D1260-R1266 PolarHBondContact N-O 3.13Å; D1260-R1266 PolarHBondContact O-N 3.38Å |
| 1261 | A | 85.9 | Confident | 91.8 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 12% | 0.116 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 102 | -152.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1238 I1239 I1259 W1301 | K1238-A1261 CarbonylContact C-O 3.43Å; K1238-A1261 VanDerWaalsContact CA-O 3.31Å; K1238-A1261 WeakPolarHBondContact CA-O 3.43Å; I1239-A1261 HydrophobicContact CG2-CB 4.01Å; I1239-A1261 PolarHBondContact N-O 2.81Å; I1239-A1261 WeakPolarHBondContact O-CB 3.39Å; I1239-A1261 PolarHBondContact O-N 2.99Å; I1259-A1261 HydrophobicContact CG2-CB 3.7Å; A1261-W1301 VanDerWaalsContact CA-CZ2 3.43Å; A1261-W1301 HydrophobicContact CB-CH2 3.58Å; A1261-W1301 HydrophobicContact CB-CZ2 3.33Å |
| 1262 | G | 87.6 | Confident | 91.7 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 19% | 0.186 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -152.3 | -127.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1237 E1264 W1301 | Q1237-G1262 WeakPolarHBondContact O-CA 3.45Å; G1262-E1264 CarbonylContact C-O 3.47Å; G1262-E1264 PolarHBondContact N-O 2.66Å; G1262-W1301 PolarHBondContact O-NE1 2.99Å |
| 1263 | A | 82.1 | Confident | 91.5 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 20% | 0.198 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -60.1 | -54.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | D1302 T1303 T1304 | A1263-D1302 CarbonylContact O-C 3.41Å; A1263-D1302 WeakPolarHBondContact O-CA 3.23Å; A1263-T1303 VanDerWaalsContact CA-OG1 3.23Å; A1263-T1303 WeakPolarHBondContact CA-OG1 3.49Å; A1263-T1303 PolarHBondContact O-N 3.21Å; A1263-T1303 PolarHBondContact O-OG1 2.91Å; A1263-T1304 HydrophobicContact CB-CG2 3.81Å |
| 1264 | E | 86 | Confident | 91.5 | Very high | 94 Ų | 94 | 46.2 Ų | 46.2 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 156.5 | 158.2 | 70.4 | 176.9 | 169.1 | 0 | 0 | 111.3 | K1238 G1262 W1301 D1302 | K1238-E1264 WeakPolarHBondContact CE-OE1 3.31Å; K1238-E1264 IonicContact NZ-OE1 2.7Å; K1238-E1264 PolarHBondContact NZ-OE1 2.71Å; G1262-E1264 CarbonylContact C-O 3.47Å; G1262-E1264 PolarHBondContact N-O 2.66Å; E1264-W1301 CarbonylContact C-O 3.43Å; E1264-W1301 WeakPolarHBondContact CA-O 3.26Å; E1264-W1301 WeakPolarHBondContact CB-O 3.42Å; E1264-D1302 HydrophobicContact CB-CB 3.99Å |
| 1265 | G | 91 | Very high | 91.3 | Very high | 14 Ų | 14 | 48 Ų | 48 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.6 | 178.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D1260 A1300 W1301 | D1260-G1265 CarbonylContact O-C 3.55Å; D1260-G1265 VanDerWaalsContact O-C 3.31Å; D1260-G1265 WeakPolarHBondContact O-CA 3.47Å; G1265-A1300 CarbonylContact O-C 3.56Å; G1265-A1300 WeakPolarHBondContact O-CA 3.45Å; G1265-A1300 VanDerWaalsContact O-CB 3.27Å; G1265-A1300 WeakPolarHBondContact O-CB 3.41Å; G1265-W1301 PolarHBondContact N-O 3.42Å; G1265-W1301 PolarHBondContact O-N 3.46Å |
| 1266 | R | 93.6 | Very high | 91.1 | Very high | 131 Ų | 131 | 48.2 Ų | 48.2 | 49% | 0.494 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 128.3 | 169.8 | -173.1 | 175.1 | 179 | -174.3 | -1.2 | 113.1 | I1259 D1260 D1298 V1299 A1300 | I1259-R1266 WeakPolarHBondContact CA-O 3.43Å; I1259-R1266 WeakPolarHBondContact CG2-O 3.17Å; D1260-R1266 PolarHBondContact N-O 3.13Å; D1260-R1266 PolarHBondContact O-N 3.38Å; R1266-D1298 IonicContact CZ-OD1 2.74Å; R1266-D1298 IonicContact NE-OD1 3.17Å; R1266-D1298 PolarHBondContact NE-OD1 3.2Å; R1266-D1298 IonicContact NH2-OD1 3.41Å; R1266-D1298 PolarHBondContact NH2-OD1 3.03Å; R1266-D1298 IonicContact NH2-OD2 3.73Å; R1266-D1298 PolarHBondContact NH2-OD2 3.18Å; R1266-V1299 CarbonylContact C-O 3.57Å; R1266-V1299 WeakPolarHBondContact CA-O 3.43Å; R1266-A1300 HydrophobicContact CB-CB 3.97Å; R1266-A1300 HydrophobicContact CG-CB 3.99Å |
| 1267 | A | 93.4 | Very high | 90.6 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 12% | 0.116 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1259 V1269 D1298 V1299 W1301 | I1259-A1267 HydrophobicContact CB-CB 4.45Å; I1259-A1267 HydrophobicContact CD1-CB 3.86Å; I1259-A1267 HydrophobicContact CG1-CB 3.99Å; I1259-A1267 HydrophobicContact CG2-CB 3.75Å; A1267-V1269 HydrophobicContact CB-CG2 4.47Å; A1267-D1298 CarbonylContact O-C 3.59Å; A1267-D1298 WeakPolarHBondContact O-CA 3.36Å; A1267-V1299 PolarHBondContact N-O 3.42Å; A1267-V1299 PolarHBondContact O-N 3.12Å; A1267-W1301 HydrophobicContact CB-CH2 4.31Å; A1267-W1301 HydrophobicContact CB-CZ3 3.93Å |
| 1268 | V | 95.9 | Very high | 90.2 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.4 | 163.9 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | P1256 A1297 | P1256-V1268 WeakPolarHBondContact CD-O 3.3Å; P1256-V1268 HydrophobicContact CG-CB 4.34Å; P1256-V1268 HydrophobicContact CG-CG1 3.76Å; V1268-A1297 CarbonylContact C-O 3.54Å; V1268-A1297 WeakPolarHBondContact CA-O 3.49Å |
| 1269 | V | 94.6 | Very high | 89.7 | Confident | 39 Ų | 39 | 42.1 Ų | 42.1 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 119.9 | 179.8 | -167.8 | 0 | 0 | 0 | 0 | 109.1 | L1253 C1254 V1255 A1267 K1296 A1297 | L1253-V1269 HydrophobicContact CD1-CG1 3.59Å; L1253-V1269 HydrophobicContact CG-CG1 4.37Å; C1254-V1269 CarbonylContact O-C 3.47Å; C1254-V1269 WeakPolarHBondContact O-CA 3.48Å; V1255-V1269 HydrophobicContact CG2-CG1 4.42Å; V1255-V1269 HydrophobicContact CG2-CG2 4.35Å; A1267-V1269 HydrophobicContact CB-CG2 4.47Å; V1269-K1296 CarbonylContact O-C 3.43Å; V1269-K1296 WeakPolarHBondContact O-CA 3.29Å; V1269-A1297 HydrophobicContact CB-CB 4.27Å; V1269-A1297 PolarHBondContact N-O 3.16Å; V1269-A1297 PolarHBondContact O-N 3.09Å |
| 1270 | N | 95.5 | Very high | 89 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 22% | 0.219 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 120.2 | 174.6 | -64 | -7.2 | 0 | 0 | 0 | 108.9 | C1254 G1295 | C1254-N1270 HydrophobicContact CB-CB 4.33Å; C1254-N1270 PolarHBondContact N-O 3.49Å; C1254-N1270 PolarHBondContact O-N 2.73Å; N1270-G1295 WeakPolarHBondContact CA-O 3.41Å |
| 1271 | L | 94.1 | Very high | 88.2 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 106.7 | 164.9 | -179.6 | 65.8 | 0 | 0 | 0 | 107.8 | L1253 F1274 T1294 G1295 | L1253-L1271 HydrophobicContact CD1-CD1 4.17Å; L1271-F1274 HydrophobicContact CD1-CB 3.96Å; L1271-F1274 HydrophobicContact CD1-CD2 4.11Å; L1271-F1274 HydrophobicContact CD1-CG 4.35Å; L1271-F1274 HydrophobicContact CD2-CB 3.96Å; L1271-F1274 HydrophobicContact CD2-CG 4.26Å; L1271-F1274 HydrophobicContact CG-CB 3.94Å; L1271-T1294 CarbonylContact O-C 3.59Å; L1271-T1294 VanDerWaalsContact O-CA 3.23Å; L1271-T1294 WeakPolarHBondContact O-CA 3.06Å; L1271-T1294 WeakPolarHBondContact O-CG2 3.47Å; L1271-G1295 PolarHBondContact N-O 2.79Å; L1271-G1295 PolarHBondContact O-N 3Å |
| 1272 | N | 90 | Very high | 87.8 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 138.8 | 178.2 | -70.8 | -18.9 | 0 | 0 | 0 | 110 | E1252 F1274 | E1252-N1272 HydrophobicContact CB-CB 4.07Å; E1252-N1272 HydrophobicContact CG-CB 4.37Å; E1252-N1272 PolarHBondContact N-O 2.88Å; E1252-N1272 PolarHBondContact O-N 2.8Å; E1252-N1272 WeakPolarHBondContact OE2-CB 3.33Å; E1252-N1272 PolarHBondContact OE2-ND2 3.2Å; N1272-F1274 VanDerWaalsContact C-N 3.27Å; N1272-F1274 PolarHBondContact O-N 3.07Å |
| 1273 | R | 89.9 | Confident | 87.2 | Confident | 92 Ų | 92 | 57.9 Ų | 57.9 | 35% | 0.347 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.1 | 35 | 162.3 | 67.2 | 173.4 | -172.3 | 87.6 | 4.3 | 116.1 | L1247 N1248 P1249 A1251 E1252 D1275 T1294 | L1247-R1273 VanDerWaalsContact CD1-NH2 3.29Å; N1248-R1273 PolarHBondContact O-NH2 2.84Å; P1249-R1273 PolarHBondContact O-NH1 3.33Å; A1251-R1273 PolarHBondContact O-NH2 2.72Å; A1251-R1273 VanDerWaalsContact O-NH2 3.11Å; E1252-R1273 HydrophobicContact CB-CG 4.44Å; R1273-D1275 PolarHBondContact O-N 2.99Å; R1273-T1294 PolarHBondContact N-OG1 3.41Å; R1273-T1294 VanDerWaalsContact N-OG1 3.14Å |
| 1274 | F | 92.4 | Very high | 86.8 | Confident | 43 Ų | 43 | 60.6 Ų | 60.6 | 19% | 0.189 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 110.8 | -179.4 | -177.8 | -90.6 | 0 | 0 | 0 | 110.9 | A1251 L1271 N1272 L1276 M1278 L1279 I1292 F1293 | A1251-F1274 HydrophobicContact CB-CB 4.38Å; A1251-F1274 HydrophobicContact CB-CD2 3.71Å; A1251-F1274 HydrophobicContact CB-CG 4.45Å; L1271-F1274 HydrophobicContact CD1-CB 3.96Å; L1271-F1274 HydrophobicContact CD1-CD2 4.11Å; L1271-F1274 HydrophobicContact CD1-CG 4.35Å; L1271-F1274 HydrophobicContact CD2-CB 3.96Å; L1271-F1274 HydrophobicContact CD2-CG 4.26Å; L1271-F1274 HydrophobicContact CG-CB 3.94Å; N1272-F1274 VanDerWaalsContact C-N 3.27Å; N1272-F1274 PolarHBondContact O-N 3.07Å; F1274-L1276 HydrophobicContact CE1-CD2 4.39Å; F1274-M1278 HydrophobicContact CD2-SD 4.35Å; F1274-M1278 HydrophobicContact CE2-SD 4.18Å; F1274-L1279 HydrophobicContact CE1-CD1 4.43Å; F1274-L1279 HydrophobicContact CE1-CG 4.36Å; F1274-L1279 HydrophobicContact CZ-CD2 4.06Å; F1274-L1279 HydrophobicContact CZ-CG 4.28Å; F1274-I1292 CarbonylContact O-C 3.49Å; F1274-I1292 WeakPolarHBondContact O-CA 3.5Å; F1274-F1293 PolarHBondContact N-O 2.92Å; F1274-F1293 PolarHBondContact O-N 2.89Å |
| 1275 | D | 92.2 | Very high | 86.1 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 26% | 0.257 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 126.7 | 176.8 | -160.6 | -47.1 | 0 | 0 | 0 | 111.3 | N1250 R1273 A1277 M1278 | N1250-D1275 HydrophobicContact CB-CB 4.25Å; N1250-D1275 PolarHBondContact O-N 2.76Å; R1273-D1275 PolarHBondContact O-N 2.99Å; D1275-A1277 PolarHBondContact O-N 3.02Å; D1275-A1277 VanDerWaalsContact O-N 3.15Å; D1275-A1277 VanDerWaalsContact OD1-CB 3.25Å; D1275-A1277 WeakPolarHBondContact OD1-CB 3.4Å; D1275-A1277 PolarHBondContact OD1-N 2.81Å; D1275-M1278 WeakPolarHBondContact O-CB 3.48Å; D1275-M1278 WeakPolarHBondContact O-CG 3.37Å; D1275-M1278 PolarHBondContact O-N 2.67Å |
| 1276 | L | 88.6 | Confident | 85.6 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -61.7 | -19.9 | 178 | -71.7 | 166.2 | 0 | 0 | 0 | 113.3 | F1274 M1278 L1279 A1289 S1290 G1291 F1293 V1320 | F1274-L1276 HydrophobicContact CE1-CD2 4.39Å; L1276-M1278 PolarHBondContact O-N 3.35Å; L1276-M1278 VanDerWaalsContact O-N 3.14Å; L1276-L1279 HydrophobicContact CD2-CD1 3.83Å; L1276-L1279 WeakPolarHBondContact O-CB 3.47Å; L1276-L1279 PolarHBondContact O-N 3.09Å; L1276-A1289 HydrophobicContact CB-CB 4.06Å; L1276-A1289 HydrophobicContact CD1-CB 4.31Å; L1276-S1290 WeakPolarHBondContact CD1-O 3.4Å; L1276-G1291 PolarHBondContact N-O 3.42Å; L1276-F1293 HydrophobicContact CD1-CD2 4.04Å; L1276-F1293 HydrophobicContact CD1-CE2 3.89Å; L1276-F1293 HydrophobicContact CD2-CD2 3.9Å; L1276-F1293 HydrophobicContact CD2-CE2 4Å; L1276-F1293 HydrophobicContact CG-CD2 4.05Å; L1276-F1293 HydrophobicContact CG-CE2 4.29Å; L1276-V1320 HydrophobicContact CD1-CG1 3.96Å; L1276-V1320 HydrophobicContact CD1-CG2 4.25Å |
| 1277 | A | 82 | Confident | 85.3 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 45% | 0.446 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -58.5 | -23 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1275 L1279 K1280 | D1275-A1277 PolarHBondContact O-N 3.02Å; D1275-A1277 VanDerWaalsContact O-N 3.15Å; D1275-A1277 VanDerWaalsContact OD1-CB 3.25Å; D1275-A1277 WeakPolarHBondContact OD1-CB 3.4Å; D1275-A1277 PolarHBondContact OD1-N 2.81Å; A1277-L1279 PolarHBondContact O-N 2.66Å; A1277-K1280 WeakPolarHBondContact O-CB 3.1Å; A1277-K1280 PolarHBondContact O-N 2.99Å |
| 1278 | M | 84 | Confident | 84.9 | Confident | 11 Ų | 11 | 68 Ų | 68 | 5% | 0.054 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -61.7 | -25.6 | 172.3 | -68.5 | -169.4 | 68.6 | 0 | 0 | 113.4 | V1219 W1222 N1248 N1250 A1251 F1274 D1275 L1276 K1280 P1281 | V1219-M1278 HydrophobicContact CB-CE 4.11Å; V1219-M1278 WeakPolarHBondContact CG1-O 3.27Å; V1219-M1278 HydrophobicContact CG2-CE 4.08Å; W1222-M1278 HydrophobicContact CZ2-CE 3.76Å; N1248-M1278 HydrophobicContact CB-CE 4.3Å; N1248-M1278 VanDerWaalsContact CG-CE 3.4Å; N1248-M1278 WeakPolarHBondContact ND2-CE 3.29Å; N1248-M1278 VanDerWaalsContact OD1-CE 3.28Å; N1248-M1278 WeakPolarHBondContact OD1-CE 3.44Å; N1250-M1278 HydrophobicContact CB-CG 3.51Å; N1250-M1278 HydrophobicContact CB-SD 3.67Å; A1251-M1278 HydrophobicContact CB-CE 4.42Å; A1251-M1278 HydrophobicContact CB-SD 3.51Å; A1251-M1278 VanDerWaalsContact CB-SD 3.51Å; F1274-M1278 HydrophobicContact CD2-SD 4.35Å; F1274-M1278 HydrophobicContact CE2-SD 4.18Å; D1275-M1278 WeakPolarHBondContact O-CB 3.48Å; D1275-M1278 WeakPolarHBondContact O-CG 3.37Å; D1275-M1278 PolarHBondContact O-N 2.67Å; L1276-M1278 PolarHBondContact O-N 3.35Å; L1276-M1278 VanDerWaalsContact O-N 3.14Å; M1278-K1280 VanDerWaalsContact C-N 3.27Å; M1278-K1280 PolarHBondContact O-N 3.41Å; M1278-P1281 WeakPolarHBondContact O-CD 3.47Å |
| 1279 | L | 82.7 | Confident | 84.6 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 31% | 0.314 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -80.8 | -4.9 | -178.4 | -60.1 | 178.3 | 0 | 0 | 0 | 113 | F1274 L1276 A1277 P1281 F1282 M1283 | F1274-L1279 HydrophobicContact CE1-CD1 4.43Å; F1274-L1279 HydrophobicContact CE1-CG 4.36Å; F1274-L1279 HydrophobicContact CZ-CD2 4.06Å; F1274-L1279 HydrophobicContact CZ-CG 4.28Å; L1276-L1279 HydrophobicContact CD2-CD1 3.83Å; L1276-L1279 WeakPolarHBondContact O-CB 3.47Å; L1276-L1279 PolarHBondContact O-N 3.09Å; A1277-L1279 PolarHBondContact O-N 2.66Å; L1279-P1281 VanDerWaalsContact C-CD 3.47Å; L1279-P1281 VanDerWaalsContact C-N 3.34Å; L1279-F1282 CarbonylContact O-C 3.48Å; L1279-F1282 WeakPolarHBondContact O-CA 3.37Å; L1279-F1282 PolarHBondContact O-N 2.67Å; L1279-M1283 HydrophobicContact CB-CE 4.12Å; L1279-M1283 HydrophobicContact CB-CG 4.17Å; L1279-M1283 HydrophobicContact CB-SD 4.25Å; L1279-M1283 PolarHBondContact O-N 2.86Å |
| 1280 | K | 76.5 | Confident | 84.5 | Confident | 165 Ų | 165 | 69.3 Ų | 69.3 | 72% | 0.717 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -52 | -40.5 | -175.7 | -175.1 | 178.3 | 177 | -175.4 | 0 | 114.3 | A1277 M1278 F1282 | A1277-K1280 WeakPolarHBondContact O-CB 3.1Å; A1277-K1280 PolarHBondContact O-N 2.99Å; M1278-K1280 VanDerWaalsContact C-N 3.27Å; M1278-K1280 PolarHBondContact O-N 3.41Å; K1280-F1282 PolarHBondContact O-N 2.92Å |
| 1281 | P | 73.7 | Confident | 84.3 | Confident | 75 Ų | 75 | 68 Ų | 68 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -70.8 | -7.4 | 177.1 | -19.8 | 34.8 | 0 | 0 | 0 | 115.1 | V1219 M1278 L1279 | V1219-P1281 HydrophobicContact CG1-CG 4.14Å; M1278-P1281 WeakPolarHBondContact O-CD 3.47Å; L1279-P1281 VanDerWaalsContact C-CD 3.47Å; L1279-P1281 VanDerWaalsContact C-N 3.34Å |
| 1282 | F | 77.8 | Confident | 84.2 | Confident | 152 Ų | 152 | 68 Ų | 68 | 67% | 0.667 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -120.4 | -4.7 | -176.8 | -52.8 | -53.4 | 0 | 0 | 0 | 113.4 | V1219 L1279 K1280 | V1219-F1282 HydrophobicContact CG1-CD2 4.27Å; V1219-F1282 HydrophobicContact CG1-CE2 3.51Å; V1219-F1282 HydrophobicContact CG1-CZ 4.03Å; L1279-F1282 CarbonylContact O-C 3.48Å; L1279-F1282 WeakPolarHBondContact O-CA 3.37Å; L1279-F1282 PolarHBondContact O-N 2.67Å; K1280-F1282 PolarHBondContact O-N 2.92Å |
| 1283 | M | 76.1 | Confident | 84.3 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 20% | 0.202 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -91.1 | 141 | 171.5 | -69 | -174.6 | -65.9 | 0 | 0 | 109.2 | L1279 T1287 A1289 | L1279-M1283 HydrophobicContact CB-CE 4.12Å; L1279-M1283 HydrophobicContact CB-CG 4.17Å; L1279-M1283 HydrophobicContact CB-SD 4.25Å; L1279-M1283 PolarHBondContact O-N 2.86Å; M1283-T1287 HydrophobicContact SD-CG2 4.27Å; M1283-A1289 HydrophobicContact CE-CB 4.17Å; M1283-A1289 HydrophobicContact SD-CB 3.65Å |
| 1284 | P | 73.3 | Confident | 84.6 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | trans | -63 | 154.3 | 167.9 | 30.3 | -35.4 | 0 | 0 | 0 | 109.5 | T1286 T1287 | P1284-T1286 PolarHBondContact O-N 3.41Å; P1284-T1287 PolarHBondContact O-N 3.31Å | ||
| 1285 | E | 70.3 | Confident | 84.6 | Confident | 193 Ų | 193 | 64.3 Ų | 64.3 | 90% | 0.902 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.6 | -175.9 | -59.6 | -156.1 | 135.5 | 0 | 0 | 113.6 | T1287 | E1285-T1287 VanDerWaalsContact C-N 3.28Å; E1285-T1287 PolarHBondContact O-N 2.98Å |
| 1286 | T | 80.6 | Confident | 84.8 | Confident | 62 Ų | 62 | 65.7 Ų | 65.7 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.7 | 173.2 | 56.7 | 0 | 0 | 0 | 0 | 114.9 | P1284 Q1324 T1325 | P1284-T1286 PolarHBondContact O-N 3.41Å; T1286-Q1324 PolarHBondContact O-NE2 2.85Å; T1286-T1325 WeakPolarHBondContact O-CB 3.39Å; T1286-T1325 PolarHBondContact O-N 2.85Å; T1286-T1325 PolarHBondContact O-OG1 3.29Å |
| 1287 | T | 87.2 | Confident | 85 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.2 | -172.6 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | M1283 P1284 E1285 Q1324 | M1283-T1287 HydrophobicContact SD-CG2 4.27Å; P1284-T1287 PolarHBondContact O-N 3.31Å; E1285-T1287 VanDerWaalsContact C-N 3.28Å; E1285-T1287 PolarHBondContact O-N 2.98Å; T1287-Q1324 PolarHBondContact OG1-NE2 3.33Å; T1287-Q1324 PolarHBondContact OG1-OE1 2.79Å |
| 1288 | Q | 86.1 | Confident | 85.6 | Confident | 125 Ų | 125 | 64.5 Ų | 64.5 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 111.9 | 179.2 | -59.9 | -176.9 | 16.8 | 0 | 0 | 110.3 | T1323 | Q1288-T1323 PolarHBondContact N-O 2.81Å; Q1288-T1323 PolarHBondContact O-N 2.8Å |
| 1289 | A | 89.9 | Confident | 85.9 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 138.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1276 M1283 V1322 | L1276-A1289 HydrophobicContact CB-CB 4.06Å; L1276-A1289 HydrophobicContact CD1-CB 4.31Å; M1283-A1289 HydrophobicContact CE-CB 4.17Å; M1283-A1289 HydrophobicContact SD-CB 3.65Å; A1289-V1322 HydrophobicContact CB-CG2 4.44Å |
| 1290 | S | 91 | Very high | 86.3 | Confident | 56 Ų | 56 | 64.1 Ų | 64.1 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 157.8 | 176 | 67.9 | 0 | 0 | 0 | 0 | 111.5 | L1276 V1320 Q1321 | L1276-S1290 WeakPolarHBondContact CD1-O 3.4Å; S1290-V1320 WeakPolarHBondContact O-CA 3.5Å; S1290-Q1321 PolarHBondContact N-O 3.42Å; S1290-Q1321 PolarHBondContact O-N 2.8Å |
| 1291 | G | 91.7 | Very high | 87 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 112 | 172.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1276 N1319 | L1276-G1291 PolarHBondContact N-O 3.42Å; G1291-N1319 WeakPolarHBondContact CA-O 3.42Å |
| 1292 | I | 92.1 | Very high | 87.6 | Confident | 46 Ų | 46 | 56.9 Ų | 56.9 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.9 | -170.2 | -63.2 | 171.4 | 0 | 0 | 0 | 109.8 | F1274 R1318 | F1274-I1292 CarbonylContact O-C 3.49Å; F1274-I1292 WeakPolarHBondContact O-CA 3.5Å; I1292-R1318 PolarHBondContact N-O 2.84Å; I1292-R1318 PolarHBondContact O-N 2.74Å |
| 1293 | F | 93.2 | Very high | 87.5 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 149.4 | 168.5 | -85.6 | -75.2 | 0 | 0 | 0 | 111.9 | F1274 L1276 L1315 G1317 V1320 L1338 | F1274-F1293 PolarHBondContact N-O 2.92Å; F1274-F1293 PolarHBondContact O-N 2.89Å; L1276-F1293 HydrophobicContact CD1-CD2 4.04Å; L1276-F1293 HydrophobicContact CD1-CE2 3.89Å; L1276-F1293 HydrophobicContact CD2-CD2 3.9Å; L1276-F1293 HydrophobicContact CD2-CE2 4Å; L1276-F1293 HydrophobicContact CG-CD2 4.05Å; L1276-F1293 HydrophobicContact CG-CE2 4.29Å; F1293-L1315 HydrophobicContact CB-CD1 4.07Å; F1293-L1315 HydrophobicContact CD1-CD1 3.65Å; F1293-L1315 HydrophobicContact CD1-CD2 3.97Å; F1293-L1315 HydrophobicContact CD1-CG 3.57Å; F1293-L1315 HydrophobicContact CE1-CD1 4.43Å; F1293-L1315 HydrophobicContact CE1-CD2 3.96Å; F1293-L1315 HydrophobicContact CE1-CG 3.87Å; F1293-L1315 HydrophobicContact CG-CD1 4.15Å; F1293-L1315 HydrophobicContact CG-CG 4.46Å; F1293-G1317 VanDerWaalsContact CD1-CA 3.46Å; F1293-G1317 VanDerWaalsContact CE1-CA 3.48Å; F1293-V1320 HydrophobicContact CD2-CG2 4.33Å; F1293-V1320 HydrophobicContact CE1-CG2 4.42Å; F1293-V1320 HydrophobicContact CE2-CG1 4.4Å; F1293-V1320 HydrophobicContact CE2-CG2 3.89Å; F1293-V1320 HydrophobicContact CZ-CG2 3.96Å; F1293-L1338 HydrophobicContact CE1-CD2 4.25Å; F1293-L1338 HydrophobicContact CE1-CG 4.34Å; F1293-L1338 HydrophobicContact CZ-CD2 3.69Å; F1293-L1338 HydrophobicContact CZ-CG 4.26Å |
| 1294 | T | 95.3 | Very high | 87.6 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 39% | 0.387 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 141 | 166.8 | -68.8 | 0 | 0 | 0 | 0 | 108.3 | L1271 R1273 S1316 | L1271-T1294 CarbonylContact O-C 3.59Å; L1271-T1294 VanDerWaalsContact O-CA 3.23Å; L1271-T1294 WeakPolarHBondContact O-CA 3.06Å; L1271-T1294 WeakPolarHBondContact O-CG2 3.47Å; R1273-T1294 PolarHBondContact N-OG1 3.41Å; R1273-T1294 VanDerWaalsContact N-OG1 3.14Å; T1294-S1316 PolarHBondContact N-O 2.79Å; T1294-S1316 PolarHBondContact O-N 2.75Å |
| 1295 | G | 92.7 | Very high | 87.5 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 13% | 0.134 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 164 | -173 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1270 L1271 T1314 | N1270-G1295 WeakPolarHBondContact CA-O 3.41Å; L1271-G1295 PolarHBondContact N-O 2.79Å; L1271-G1295 PolarHBondContact O-N 3Å; G1295-T1314 CarbonylContact C-O 3.43Å; G1295-T1314 WeakPolarHBondContact CA-O 3.42Å |
| 1296 | K | 95.7 | Very high | 87.1 | Confident | 78 Ų | 78 | 59.4 Ų | 59.4 | 34% | 0.339 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 119.7 | 175.4 | 176.5 | 179.2 | 174.7 | -116.7 | 0 | 109.7 | V1269 D1298 I1313 T1314 | V1269-K1296 CarbonylContact O-C 3.43Å; V1269-K1296 WeakPolarHBondContact O-CA 3.29Å; K1296-D1298 IonicContact NZ-OD2 2.6Å; K1296-D1298 PolarHBondContact NZ-OD2 2.93Å; K1296-I1313 WeakPolarHBondContact O-CA 3.22Å; K1296-T1314 PolarHBondContact N-O 2.94Å; K1296-T1314 PolarHBondContact N-OG1 2.97Å; K1296-T1314 PolarHBondContact O-N 3.05Å; K1296-T1314 PolarHBondContact O-OG1 3.16Å |
| 1297 | A | 93.2 | Very high | 86.6 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 140.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V1268 V1269 V1299 S1312 I1313 | V1268-A1297 CarbonylContact C-O 3.54Å; V1268-A1297 WeakPolarHBondContact CA-O 3.49Å; V1269-A1297 HydrophobicContact CB-CB 4.27Å; V1269-A1297 PolarHBondContact N-O 3.16Å; V1269-A1297 PolarHBondContact O-N 3.09Å; A1297-V1299 HydrophobicContact CB-CG2 4.35Å; A1297-S1312 CarbonylContact C-O 3.51Å; A1297-S1312 WeakPolarHBondContact CA-O 3.47Å; A1297-I1313 HydrophobicContact CB-CG1 4.02Å; A1297-I1313 HydrophobicContact CB-CG2 4.48Å |
| 1298 | D | 95 | Very high | 86.3 | Confident | 20 Ų | 20 | 59 Ų | 59 | 11% | 0.107 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 76.8 | 175.5 | -166.8 | -20.2 | 0 | 0 | 0 | 106.7 | R1266 A1267 K1296 G1311 S1312 | R1266-D1298 IonicContact CZ-OD1 2.74Å; R1266-D1298 IonicContact NE-OD1 3.17Å; R1266-D1298 PolarHBondContact NE-OD1 3.2Å; R1266-D1298 IonicContact NH2-OD1 3.41Å; R1266-D1298 PolarHBondContact NH2-OD1 3.03Å; R1266-D1298 IonicContact NH2-OD2 3.73Å; R1266-D1298 PolarHBondContact NH2-OD2 3.18Å; A1267-D1298 CarbonylContact O-C 3.59Å; A1267-D1298 WeakPolarHBondContact O-CA 3.36Å; K1296-D1298 IonicContact NZ-OD2 2.6Å; K1296-D1298 PolarHBondContact NZ-OD2 2.93Å; D1298-G1311 CarbonylContact O-C 3.38Å; D1298-G1311 WeakPolarHBondContact O-CA 3.46Å; D1298-S1312 PolarHBondContact N-O 3.39Å; D1298-S1312 PolarHBondContact O-N 2.91Å |
| 1299 | V | 90.9 | Very high | 86.3 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 111.6 | -168.5 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | R1266 A1267 A1297 W1301 P1309 I1313 | R1266-V1299 CarbonylContact C-O 3.57Å; R1266-V1299 WeakPolarHBondContact CA-O 3.43Å; A1267-V1299 PolarHBondContact N-O 3.42Å; A1267-V1299 PolarHBondContact O-N 3.12Å; A1297-V1299 HydrophobicContact CB-CG2 4.35Å; V1299-W1301 HydrophobicContact CG1-CE3 4.4Å; V1299-W1301 WeakPolarHBondContact O-CZ3 3.41Å; V1299-P1309 HydrophobicContact CG1-CB 3.94Å; V1299-I1313 HydrophobicContact CG2-CD1 4.18Å; V1299-I1313 HydrophobicContact CG2-CG1 3.91Å |
| 1300 | A | 91.1 | Very high | 86.2 | Confident | 28 Ų | 28 | 59 Ų | 59 | 23% | 0.231 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 164.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G1265 R1266 P1309 Q1310 | G1265-A1300 CarbonylContact O-C 3.56Å; G1265-A1300 WeakPolarHBondContact O-CA 3.45Å; G1265-A1300 VanDerWaalsContact O-CB 3.27Å; G1265-A1300 WeakPolarHBondContact O-CB 3.41Å; R1266-A1300 HydrophobicContact CB-CB 3.97Å; R1266-A1300 HydrophobicContact CG-CB 3.99Å; A1300-P1309 CarbonylContact O-C 3.59Å; A1300-P1309 VanDerWaalsContact O-CA 3.3Å; A1300-P1309 WeakPolarHBondContact O-CA 3.01Å; A1300-P1309 WeakPolarHBondContact O-CB 3.36Å; A1300-Q1310 CarbonylContact C-O 3.58Å; A1300-Q1310 WeakPolarHBondContact CA-O 3.23Å; A1300-Q1310 WeakPolarHBondContact CB-O 3.21Å; A1300-Q1310 PolarHBondContact N-O 2.98Å; A1300-Q1310 CarbonylContact O-C 3.08Å; A1300-Q1310 PolarHBondContact O-N 2.8Å |
| 1301 | W | 89.6 | Confident | 86.2 | Confident | 62 Ų | 62 | 57 Ų | 57 | 24% | 0.235 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 163.4 | 172.4 | 60.4 | 99.2 | 0 | 0 | 0 | 110.8 | I1259 A1261 G1262 E1264 G1265 A1267 V1299 P1309 | I1259-W1301 HydrophobicContact CG2-CH2 4.27Å; A1261-W1301 VanDerWaalsContact CA-CZ2 3.43Å; A1261-W1301 HydrophobicContact CB-CH2 3.58Å; A1261-W1301 HydrophobicContact CB-CZ2 3.33Å; G1262-W1301 PolarHBondContact O-NE1 2.99Å; E1264-W1301 CarbonylContact C-O 3.43Å; E1264-W1301 WeakPolarHBondContact CA-O 3.26Å; E1264-W1301 WeakPolarHBondContact CB-O 3.42Å; G1265-W1301 PolarHBondContact N-O 3.42Å; G1265-W1301 PolarHBondContact O-N 3.46Å; A1267-W1301 HydrophobicContact CB-CH2 4.31Å; A1267-W1301 HydrophobicContact CB-CZ3 3.93Å; V1299-W1301 HydrophobicContact CG1-CE3 4.4Å; V1299-W1301 WeakPolarHBondContact O-CZ3 3.41Å; W1301-P1309 HydrophobicContact CB-CB 3.72Å; W1301-P1309 HydrophobicContact CB-CG 3.83Å |
| 1302 | D | 86.6 | Confident | 86.3 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 92.3 | 175.5 | -175.5 | -1.4 | 0 | 0 | 0 | 110.4 | A1263 E1264 T1304 K1305 | A1263-D1302 CarbonylContact O-C 3.41Å; A1263-D1302 WeakPolarHBondContact O-CA 3.23Å; E1264-D1302 HydrophobicContact CB-CB 3.99Å; D1302-T1304 PolarHBondContact O-N 2.99Å; D1302-T1304 WeakPolarHBondContact OD1-CA 3.44Å; D1302-T1304 VanDerWaalsContact OD1-CB 3.32Å; D1302-T1304 WeakPolarHBondContact OD1-CB 3.3Å; D1302-T1304 PolarHBondContact OD1-N 3.48Å; D1302-T1304 PolarHBondContact OD1-OG1 3.08Å; D1302-K1305 PolarHBondContact O-N 2.79Å; D1302-K1305 VanDerWaalsContact OD2-CD 3.32Å; D1302-K1305 WeakPolarHBondContact OD2-CD 3.26Å; D1302-K1305 WeakPolarHBondContact OD2-CE 3.13Å; D1302-K1305 IonicContact OD2-NZ 2.72Å; D1302-K1305 PolarHBondContact OD2-NZ 2.88Å |
| 1303 | T | 77.1 | Confident | 86.4 | Confident | 103 Ų | 103 | 60 Ų | 60 | 63% | 0.632 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -2.4 | 176.6 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | A1263 K1305 | A1263-T1303 VanDerWaalsContact CA-OG1 3.23Å; A1263-T1303 WeakPolarHBondContact CA-OG1 3.49Å; A1263-T1303 PolarHBondContact O-N 3.21Å; A1263-T1303 PolarHBondContact O-OG1 2.91Å; T1303-K1305 VanDerWaalsContact C-N 3.26Å |
| 1304 | T | 78 | Confident | 86.5 | Confident | 104 Ų | 104 | 61.3 Ų | 61.3 | 64% | 0.638 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -13.6 | 168.5 | 76.3 | 0 | 0 | 0 | 0 | 112.1 | A1263 D1302 | A1263-T1304 HydrophobicContact CB-CG2 3.81Å; D1302-T1304 PolarHBondContact O-N 2.99Å; D1302-T1304 WeakPolarHBondContact OD1-CA 3.44Å; D1302-T1304 VanDerWaalsContact OD1-CB 3.32Å; D1302-T1304 WeakPolarHBondContact OD1-CB 3.3Å; D1302-T1304 PolarHBondContact OD1-N 3.48Å; D1302-T1304 PolarHBondContact OD1-OG1 3.08Å |
| 1305 | K | 69.5 | Low | 86.4 | Confident | 124 Ų | 124 | 60.7 Ų | 60.7 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -107.2 | 138 | 170 | -64.4 | 176.1 | 180 | 62.6 | 0 | 108.3 | D1302 T1303 G1307 | D1302-K1305 PolarHBondContact O-N 2.79Å; D1302-K1305 VanDerWaalsContact OD2-CD 3.32Å; D1302-K1305 WeakPolarHBondContact OD2-CD 3.26Å; D1302-K1305 WeakPolarHBondContact OD2-CE 3.13Å; D1302-K1305 IonicContact OD2-NZ 2.72Å; D1302-K1305 PolarHBondContact OD2-NZ 2.88Å; T1303-K1305 VanDerWaalsContact C-N 3.26Å; K1305-G1307 PolarHBondContact O-N 2.87Å |
| 1306 | E | 62.8 | Low | 86.4 | Confident | 189 Ų | 189 | 62.7 Ų | 62.7 | 88% | 0.883 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -61.6 | 131.1 | 163 | -67.3 | -176.8 | 141.8 | 0 | 0 | 108.7 | ||
| 1307 | G | 69.5 | Low | 86.1 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 19% | 0.186 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 142.2 | 164 | -166.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1305 Q1373 | K1305-G1307 PolarHBondContact O-N 2.87Å; G1307-Q1373 PolarHBondContact O-NE2 3.11Å; G1307-Q1373 VanDerWaalsContact O-NE2 3.16Å |
| 1308 | L | 81 | Confident | 85.8 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 34% | 0.335 | 36% | 0.358 | S | S | . | . | trans | -98.2 | 159.7 | 175.2 | -61.6 | 178.2 | 0 | 0 | 0 | 111.6 | Q1310 L1344 P1372 Q1373 | L1308-Q1310 PolarHBondContact O-N 3.04Å; L1308-L1344 HydrophobicContact CB-CD1 4.04Å; L1308-L1344 HydrophobicContact CB-CD2 3.44Å; L1308-L1344 VanDerWaalsContact CB-CD2 3.44Å; L1308-L1344 HydrophobicContact CB-CG 4.24Å; L1308-L1344 HydrophobicContact CD1-CD2 4.44Å; L1308-P1372 HydrophobicContact CD1-CB 3.72Å; L1308-P1372 HydrophobicContact CD1-CG 3.6Å; L1308-P1372 HydrophobicContact CG-CG 4.06Å; L1308-Q1373 HydrophobicContact CD2-CG 3.85Å; L1308-Q1373 HydrophobicContact CG-CG 4.1Å | ||
| 1309 | P | 85.7 | Confident | 85.5 | Confident | 60 Ų | 60 | 71.1 Ų | 71.1 | 39% | 0.39 | 39% | 0.385 | S | S | . | . | trans | -44.4 | 103.2 | 177.3 | -37 | 40.5 | 0 | 0 | 0 | 117.1 | V1299 A1300 W1301 G1311 L1344 | V1299-P1309 HydrophobicContact CG1-CB 3.94Å; A1300-P1309 CarbonylContact O-C 3.59Å; A1300-P1309 VanDerWaalsContact O-CA 3.3Å; A1300-P1309 WeakPolarHBondContact O-CA 3.01Å; A1300-P1309 WeakPolarHBondContact O-CB 3.36Å; W1301-P1309 HydrophobicContact CB-CB 3.72Å; W1301-P1309 HydrophobicContact CB-CG 3.83Å; P1309-G1311 PolarHBondContact O-N 3.16Å; P1309-G1311 VanDerWaalsContact O-N 3.15Å; P1309-L1344 WeakPolarHBondContact O-CB 3.47Å; P1309-L1344 WeakPolarHBondContact O-CD2 3.46Å; P1309-L1344 WeakPolarHBondContact O-CG 3.46Å | ||
| 1310 | Q | 88.4 | Confident | 85.6 | Confident | 83 Ų | 83 | 69.6 Ų | 69.6 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | trans | -69 | 108.6 | -179.3 | -66 | -169.7 | 77.7 | 0 | 0 | 113.4 | A1300 L1308 L1344 | A1300-Q1310 CarbonylContact C-O 3.58Å; A1300-Q1310 WeakPolarHBondContact CA-O 3.23Å; A1300-Q1310 WeakPolarHBondContact CB-O 3.21Å; A1300-Q1310 PolarHBondContact N-O 2.98Å; A1300-Q1310 CarbonylContact O-C 3.08Å; A1300-Q1310 PolarHBondContact O-N 2.8Å; L1308-Q1310 PolarHBondContact O-N 3.04Å; Q1310-L1344 CarbonylContact C-O 3.5Å; Q1310-L1344 VanDerWaalsContact C-O 3.24Å; Q1310-L1344 WeakPolarHBondContact CA-O 3.29Å; Q1310-L1344 WeakPolarHBondContact CB-O 3.25Å | ||
| 1311 | G | 91.5 | Very high | 85.6 | Confident | 13 Ų | 13 | 73.1 Ų | 73.1 | 13% | 0.134 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 179.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D1298 P1309 E1343 L1344 | D1298-G1311 CarbonylContact O-C 3.38Å; D1298-G1311 WeakPolarHBondContact O-CA 3.46Å; P1309-G1311 PolarHBondContact O-N 3.16Å; P1309-G1311 VanDerWaalsContact O-N 3.15Å; G1311-E1343 CarbonylContact O-C 3.59Å; G1311-E1343 VanDerWaalsContact O-CA 3.28Å; G1311-E1343 WeakPolarHBondContact O-CA 3.27Å; G1311-E1343 WeakPolarHBondContact O-CG 3.36Å; G1311-L1344 PolarHBondContact N-O 3.3Å; G1311-L1344 PolarHBondContact O-N 2.82Å |
| 1312 | S | 94.6 | Very high | 85.6 | Confident | 40 Ų | 40 | 72.2 Ų | 72.2 | 28% | 0.28 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 135.2 | 164.4 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | A1297 D1298 A1342 | A1297-S1312 CarbonylContact C-O 3.51Å; A1297-S1312 WeakPolarHBondContact CA-O 3.47Å; D1298-S1312 PolarHBondContact N-O 3.39Å; D1298-S1312 PolarHBondContact O-N 2.91Å; S1312-A1342 CarbonylContact C-O 3.5Å; S1312-A1342 VanDerWaalsContact CA-O 3.27Å; S1312-A1342 WeakPolarHBondContact CA-O 3.43Å |
| 1313 | I | 94 | Very high | 85.6 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 43% | 0.426 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.2 | 173.8 | -56.5 | 176.9 | 0 | 0 | 0 | 107.3 | K1296 A1297 V1299 T1341 A1342 | K1296-I1313 WeakPolarHBondContact O-CA 3.22Å; A1297-I1313 HydrophobicContact CB-CG1 4.02Å; A1297-I1313 HydrophobicContact CB-CG2 4.48Å; V1299-I1313 HydrophobicContact CG2-CD1 4.18Å; V1299-I1313 HydrophobicContact CG2-CG1 3.91Å; I1313-T1341 CarbonylContact O-C 3.02Å; I1313-T1341 VanDerWaalsContact O-CA 3.31Å; I1313-T1341 WeakPolarHBondContact O-CA 3.47Å; I1313-A1342 HydrophobicContact CB-CB 4.47Å; I1313-A1342 PolarHBondContact N-O 2.83Å; I1313-A1342 PolarHBondContact O-N 3.07Å |
| 1314 | T | 94.6 | Very high | 86.1 | Confident | 58 Ų | 58 | 70.8 Ų | 70.8 | 36% | 0.356 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.5 | 173.3 | 65.9 | 0 | 0 | 0 | 0 | 110.1 | G1295 K1296 L1340 T1341 | G1295-T1314 CarbonylContact C-O 3.43Å; G1295-T1314 WeakPolarHBondContact CA-O 3.42Å; K1296-T1314 PolarHBondContact N-O 2.94Å; K1296-T1314 PolarHBondContact N-OG1 2.97Å; K1296-T1314 PolarHBondContact O-N 3.05Å; K1296-T1314 PolarHBondContact O-OG1 3.16Å; T1314-L1340 WeakPolarHBondContact CA-O 2.87Å; T1314-T1341 HydrophobicContact CG2-CG2 4.17Å |
| 1315 | L | 93.1 | Very high | 86.1 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 123.5 | 175 | -175.6 | 66.4 | 0 | 0 | 0 | 109.2 | F1293 N1339 L1340 | F1293-L1315 HydrophobicContact CB-CD1 4.07Å; F1293-L1315 HydrophobicContact CD1-CD1 3.65Å; F1293-L1315 HydrophobicContact CD1-CD2 3.97Å; F1293-L1315 HydrophobicContact CD1-CG 3.57Å; F1293-L1315 HydrophobicContact CE1-CD1 4.43Å; F1293-L1315 HydrophobicContact CE1-CD2 3.96Å; F1293-L1315 HydrophobicContact CE1-CG 3.87Å; F1293-L1315 HydrophobicContact CG-CD1 4.15Å; F1293-L1315 HydrophobicContact CG-CG 4.46Å; L1315-N1339 WeakPolarHBondContact O-CA 3.37Å; L1315-L1340 HydrophobicContact CB-CB 4.46Å; L1315-L1340 PolarHBondContact N-O 2.88Å; L1315-L1340 PolarHBondContact O-N 3.27Å |
| 1316 | S | 92.4 | Very high | 86.1 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.4 | -179.7 | -74.2 | 0 | 0 | 0 | 0 | 110.6 | T1294 N1339 | T1294-S1316 PolarHBondContact N-O 2.79Å; T1294-S1316 PolarHBondContact O-N 2.75Å; S1316-N1339 WeakPolarHBondContact CA-OD1 3.23Å; S1316-N1339 VanDerWaalsContact CB-OD1 3.32Å; S1316-N1339 WeakPolarHBondContact CB-OD1 3.13Å; S1316-N1339 PolarHBondContact OG-OD1 3.47Å |
| 1317 | G | 90.6 | Very high | 86.1 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 131.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1293 L1338 | F1293-G1317 VanDerWaalsContact CD1-CA 3.46Å; F1293-G1317 VanDerWaalsContact CE1-CA 3.48Å; G1317-L1338 PolarHBondContact N-O 2.81Å |
| 1318 | R | 85.5 | Confident | 85.8 | Confident | 157 Ų | 157 | 69.3 Ų | 69.3 | 59% | 0.592 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.9 | 172.1 | -175.6 | -179 | 66.1 | -167.8 | -1.2 | 110 | I1292 V1320 | I1292-R1318 PolarHBondContact N-O 2.84Å; I1292-R1318 PolarHBondContact O-N 2.74Å; R1318-V1320 PolarHBondContact O-N 2.84Å |
| 1319 | N | 88.7 | Confident | 85.4 | Confident | 124 Ų | 124 | 67.3 Ų | 67.3 | 66% | 0.663 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55 | 33.4 | -176.2 | -55.8 | -1.6 | 0 | 0 | 0 | 112.9 | G1291 Q1321 | G1291-N1319 WeakPolarHBondContact CA-O 3.42Å; N1319-Q1321 PolarHBondContact O-N 3.3Å |
| 1320 | V | 92.6 | Very high | 85.1 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 128.9 | 179.7 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | L1276 S1290 F1293 R1318 F1335 L1338 | L1276-V1320 HydrophobicContact CD1-CG1 3.96Å; L1276-V1320 HydrophobicContact CD1-CG2 4.25Å; S1290-V1320 WeakPolarHBondContact O-CA 3.5Å; F1293-V1320 HydrophobicContact CD2-CG2 4.33Å; F1293-V1320 HydrophobicContact CE1-CG2 4.42Å; F1293-V1320 HydrophobicContact CE2-CG1 4.4Å; F1293-V1320 HydrophobicContact CE2-CG2 3.89Å; F1293-V1320 HydrophobicContact CZ-CG2 3.96Å; R1318-V1320 PolarHBondContact O-N 2.84Å; V1320-F1335 HydrophobicContact CB-CB 4.37Å; V1320-F1335 HydrophobicContact CB-CD2 4.26Å; V1320-F1335 HydrophobicContact CG1-CD2 3.88Å; V1320-F1335 HydrophobicContact CG1-CE2 4.32Å; V1320-F1335 WeakPolarHBondContact O-CD2 3.45Å; V1320-F1335 PolarHBondContact O-N 2.84Å; V1320-L1338 HydrophobicContact CB-CD2 4.29Å; V1320-L1338 HydrophobicContact CG1-CD2 3.95Å |
| 1321 | Q | 91.7 | Very high | 84.9 | Confident | 102 Ų | 102 | 64 Ų | 64 | 48% | 0.477 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 128 | 173.8 | -57.8 | -179 | 13.6 | 0 | 0 | 108 | S1290 N1319 V1333 A1334 | S1290-Q1321 PolarHBondContact N-O 3.42Å; S1290-Q1321 PolarHBondContact O-N 2.8Å; N1319-Q1321 PolarHBondContact O-N 3.3Å; Q1321-V1333 WeakPolarHBondContact CA-O 3.26Å; Q1321-A1334 HydrophobicContact CG-CB 4.23Å |
| 1322 | V | 89.7 | Confident | 84.8 | Confident | 43 Ų | 43 | 67 Ų | 67 | 26% | 0.261 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 126.9 | 171.2 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | A1289 V1333 F1335 | A1289-V1322 HydrophobicContact CB-CG2 4.44Å; V1322-V1333 PolarHBondContact N-O 2.91Å; V1322-V1333 PolarHBondContact O-N 2.88Å; V1322-F1335 HydrophobicContact CG2-CE2 4.27Å |
| 1323 | T | 87.4 | Confident | 84.5 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 24% | 0.239 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.7 | 169.7 | -57.5 | 0 | 0 | 0 | 0 | 107.7 | Q1288 A1330 L1331 | Q1288-T1323 PolarHBondContact N-O 2.81Å; Q1288-T1323 PolarHBondContact O-N 2.8Å; T1323-A1330 HydrophobicContact CG2-CB 3.72Å; T1323-L1331 WeakPolarHBondContact CA-O 3.45Å |
| 1324 | Q | 87.4 | Confident | 84.4 | Confident | 61 Ų | 61 | 64 Ų | 64 | 29% | 0.285 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122 | 173.6 | -177.9 | 59.7 | 45.6 | 0 | 0 | 109 | T1286 T1287 V1326 L1331 | T1286-Q1324 PolarHBondContact O-NE2 2.85Å; T1287-Q1324 PolarHBondContact OG1-NE2 3.33Å; T1287-Q1324 PolarHBondContact OG1-OE1 2.79Å; Q1324-V1326 HydrophobicContact CG-CG2 3.82Å; Q1324-L1331 PolarHBondContact N-O 3.27Å; Q1324-L1331 VanDerWaalsContact N-O 3.16Å; Q1324-L1331 WeakPolarHBondContact O-CB 3.44Å; Q1324-L1331 PolarHBondContact O-N 2.74Å |
| 1325 | T | 78.3 | Confident | 84.3 | Confident | 40 Ų | 40 | 63.1 Ų | 63.1 | 25% | 0.245 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 124.9 | 165.7 | -56.8 | 0 | 0 | 0 | 0 | 108.6 | T1286 A1329 | T1286-T1325 WeakPolarHBondContact O-CB 3.39Å; T1286-T1325 PolarHBondContact O-N 2.85Å; T1286-T1325 PolarHBondContact O-OG1 3.29Å; T1325-A1329 WeakPolarHBondContact CA-O 3.32Å |
| 1326 | V | 68.9 | Low | 84 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 30% | 0.303 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 119.7 | 173.1 | -174.9 | 0 | 0 | 0 | 0 | 105.9 | Q1324 D1328 A1329 I1395 | Q1324-V1326 HydrophobicContact CG-CG2 3.82Å; V1326-D1328 VanDerWaalsContact C-N 3.34Å; V1326-D1328 PolarHBondContact O-N 2.92Å; V1326-A1329 PolarHBondContact N-O 2.81Å; V1326-A1329 WeakPolarHBondContact O-CA 3.45Å; V1326-A1329 WeakPolarHBondContact O-CB 2.95Å; V1326-A1329 PolarHBondContact O-N 2.82Å; V1326-I1395 HydrophobicContact CB-CB 4.45Å; V1326-I1395 HydrophobicContact CB-CG2 3.94Å; V1326-I1395 HydrophobicContact CG1-CD1 4.42Å; V1326-I1395 HydrophobicContact CG2-CG2 4.3Å |
| 1327 | N | 63.3 | Low | 83.9 | Confident | 156 Ų | 156 | 65.6 Ų | 65.6 | 83% | 0.834 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 52.2 | -177.9 | -54.8 | -2 | 0 | 0 | 0 | 112.5 | A1329 | N1327-A1329 PolarHBondContact O-N 2.85Š|
| 1328 | D | 61.8 | Low | 84 | Confident | 158 Ų | 158 | 65.8 Ų | 65.8 | 85% | 0.845 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 3.6 | -174.1 | -61.4 | -37.8 | 0 | 0 | 0 | 117 | V1326 | V1326-D1328 VanDerWaalsContact C-N 3.34Å; V1326-D1328 PolarHBondContact O-N 2.92Å |
| 1329 | A | 73 | Confident | 84.4 | Confident | 22 Ų | 22 | 60.9 Ų | 60.9 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 128 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1325 V1326 N1327 I1395 | T1325-A1329 WeakPolarHBondContact CA-O 3.32Å; V1326-A1329 PolarHBondContact N-O 2.81Å; V1326-A1329 WeakPolarHBondContact O-CA 3.45Å; V1326-A1329 WeakPolarHBondContact O-CB 2.95Å; V1326-A1329 PolarHBondContact O-N 2.82Å; N1327-A1329 PolarHBondContact O-N 2.85Å; A1329-I1395 HydrophobicContact CB-CB 4.37Å; A1329-I1395 HydrophobicContact CB-CG2 4.08Å |
| 1330 | A | 78.9 | Confident | 84.6 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 121.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T1323 P1332 | T1323-A1330 HydrophobicContact CG2-CB 3.72Å; A1330-P1332 WeakPolarHBondContact O-CD 3.33Å |
| 1331 | L | 85.7 | Confident | 84.7 | Confident | 20 Ų | 20 | 61.3 Ų | 61.3 | 11% | 0.105 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 98.8 | 172.8 | -172.5 | 59.3 | 0 | 0 | 0 | 110.9 | T1323 Q1324 V1333 M1391 P1394 I1395 | T1323-L1331 WeakPolarHBondContact CA-O 3.45Å; Q1324-L1331 PolarHBondContact N-O 3.27Å; Q1324-L1331 VanDerWaalsContact N-O 3.16Å; Q1324-L1331 WeakPolarHBondContact O-CB 3.44Å; Q1324-L1331 PolarHBondContact O-N 2.74Å; L1331-V1333 HydrophobicContact CD2-CG2 4.41Å; L1331-V1333 HydrophobicContact CG-CG2 4.14Å; L1331-V1333 PolarHBondContact O-N 2.79Å; L1331-M1391 WeakPolarHBondContact CD1-O 3.45Å; L1331-P1394 HydrophobicContact CD1-CB 4.23Å; L1331-P1394 HydrophobicContact CD1-CG 4.16Å; L1331-I1395 HydrophobicContact CB-CG2 3.69Å; L1331-I1395 HydrophobicContact CD1-CG2 4.29Å; L1331-I1395 HydrophobicContact CD2-CD1 4.34Å; L1331-I1395 HydrophobicContact CG-CG2 4.38Å |
| 1332 | P | 87.9 | Confident | 84.7 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 103.6 | 177.4 | 31.6 | -35.4 | 0 | 0 | 0 | 111.7 | A1330 | A1330-P1332 WeakPolarHBondContact O-CD 3.33Å |
| 1333 | V | 89.4 | Confident | 84.9 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 16% | 0.164 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 100.6 | 172.1 | -171 | 0 | 0 | 0 | 0 | 109.2 | Q1321 V1322 L1331 F1335 L1357 M1391 | Q1321-V1333 WeakPolarHBondContact CA-O 3.26Å; V1322-V1333 PolarHBondContact N-O 2.91Å; V1322-V1333 PolarHBondContact O-N 2.88Å; L1331-V1333 HydrophobicContact CD2-CG2 4.41Å; L1331-V1333 HydrophobicContact CG-CG2 4.14Å; L1331-V1333 PolarHBondContact O-N 2.79Å; V1333-F1335 HydrophobicContact CB-CE2 4.22Å; V1333-F1335 HydrophobicContact CG1-CD2 4.44Å; V1333-F1335 HydrophobicContact CG1-CE1 4.32Å; V1333-F1335 HydrophobicContact CG1-CE2 3.69Å; V1333-F1335 HydrophobicContact CG1-CZ 3.62Å; V1333-F1335 WeakPolarHBondContact O-CD2 3.34Å; V1333-F1335 WeakPolarHBondContact O-CE2 3.31Å; V1333-L1357 HydrophobicContact CG1-CD2 3.89Å; V1333-M1391 HydrophobicContact CG1-SD 4.5Å |
| 1334 | A | 91.1 | Very high | 85.1 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 28% | 0.281 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1321 T1358 | Q1321-A1334 HydrophobicContact CG-CB 4.23Å; A1334-T1358 PolarHBondContact O-N 2.87Å; A1334-T1358 PolarHBondContact O-OG1 3.47Å |
| 1335 | F | 92.1 | Very high | 85.1 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 17% | 0.171 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.8 | -175.2 | -61.6 | -97.6 | 0 | 0 | 0 | 111.1 | V1320 V1322 V1333 T1337 L1338 I1355 L1357 | V1320-F1335 HydrophobicContact CB-CB 4.37Å; V1320-F1335 HydrophobicContact CB-CD2 4.26Å; V1320-F1335 HydrophobicContact CG1-CD2 3.88Å; V1320-F1335 HydrophobicContact CG1-CE2 4.32Å; V1320-F1335 WeakPolarHBondContact O-CD2 3.45Å; V1320-F1335 PolarHBondContact O-N 2.84Å; V1322-F1335 HydrophobicContact CG2-CE2 4.27Å; V1333-F1335 HydrophobicContact CB-CE2 4.22Å; V1333-F1335 HydrophobicContact CG1-CD2 4.44Å; V1333-F1335 HydrophobicContact CG1-CE1 4.32Å; V1333-F1335 HydrophobicContact CG1-CE2 3.69Å; V1333-F1335 HydrophobicContact CG1-CZ 3.62Å; V1333-F1335 WeakPolarHBondContact O-CD2 3.34Å; V1333-F1335 WeakPolarHBondContact O-CE2 3.31Å; F1335-T1337 VanDerWaalsContact C-N 3.34Å; F1335-L1338 HydrophobicContact CB-CB 4.04Å; F1335-L1338 HydrophobicContact CD1-CB 4.02Å; F1335-L1338 HydrophobicContact CD1-CD1 4.16Å; F1335-L1338 HydrophobicContact CD1-CD2 3.9Å; F1335-L1338 HydrophobicContact CD1-CG 4.26Å; F1335-L1338 HydrophobicContact CD2-CD2 4.35Å; F1335-L1338 HydrophobicContact CE1-CD1 4.25Å; F1335-L1338 HydrophobicContact CE1-CD2 4.1Å; F1335-L1338 HydrophobicContact CG-CB 4.21Å; F1335-L1338 HydrophobicContact CG-CD2 4.03Å; F1335-L1338 HydrophobicContact CZ-CD2 4.41Å; F1335-I1355 HydrophobicContact CD1-CG2 3.81Å; F1335-I1355 HydrophobicContact CE1-CG2 3.77Å; F1335-L1357 HydrophobicContact CD1-CD2 3.57Å; F1335-L1357 HydrophobicContact CE1-CD2 3.5Å; F1335-L1357 HydrophobicContact CG-CD2 4.31Å; F1335-L1357 HydrophobicContact CZ-CD2 4.19Å |
| 1336 | Q | 88.1 | Confident | 85.3 | Confident | 125 Ų | 125 | 67.6 Ų | 67.6 | 58% | 0.584 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -28.9 | 169.7 | -169 | -174.8 | 21.1 | 0 | 0 | 111.1 | R1356 T1358 | Q1336-R1356 HydrophobicContact CB-CG 4.37Å; Q1336-R1356 PolarHBondContact N-O 3.33Å; Q1336-T1358 PolarHBondContact N-OG1 2.77Å |
| 1337 | T | 89.8 | Confident | 85.9 | Confident | 32 Ų | 32 | 68 Ų | 68 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 127.9 | 173 | -53.6 | 0 | 0 | 0 | 0 | 108.2 | F1335 N1339 T1354 I1355 R1356 | F1335-T1337 VanDerWaalsContact C-N 3.34Å; T1337-N1339 HydrophobicContact CG2-CB 4.47Å; T1337-T1354 HydrophobicContact CG2-CG2 4.32Å; T1337-I1355 CarbonylContact O-C 3.55Å; T1337-I1355 WeakPolarHBondContact O-CA 3.44Å; T1337-R1356 PolarHBondContact N-O 2.95Å; T1337-R1356 VanDerWaalsContact N-O 3.12Å; T1337-R1356 PolarHBondContact O-N 2.86Å |
| 1338 | L | 92.4 | Very high | 87.1 | Confident | 20 Ų | 20 | 64.9 Ų | 64.9 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 86.8 | 173.1 | 178.6 | 53.5 | 0 | 0 | 0 | 107.7 | F1293 G1317 V1320 F1335 I1355 | F1293-L1338 HydrophobicContact CE1-CD2 4.25Å; F1293-L1338 HydrophobicContact CE1-CG 4.34Å; F1293-L1338 HydrophobicContact CZ-CD2 3.69Å; F1293-L1338 HydrophobicContact CZ-CG 4.26Å; G1317-L1338 PolarHBondContact N-O 2.81Å; V1320-L1338 HydrophobicContact CB-CD2 4.29Å; V1320-L1338 HydrophobicContact CG1-CD2 3.95Å; F1335-L1338 HydrophobicContact CB-CB 4.04Å; F1335-L1338 HydrophobicContact CD1-CB 4.02Å; F1335-L1338 HydrophobicContact CD1-CD1 4.16Å; F1335-L1338 HydrophobicContact CD1-CD2 3.9Å; F1335-L1338 HydrophobicContact CD1-CG 4.26Å; F1335-L1338 HydrophobicContact CD2-CD2 4.35Å; F1335-L1338 HydrophobicContact CE1-CD1 4.25Å; F1335-L1338 HydrophobicContact CE1-CD2 4.1Å; F1335-L1338 HydrophobicContact CG-CB 4.21Å; F1335-L1338 HydrophobicContact CG-CD2 4.03Å; F1335-L1338 HydrophobicContact CZ-CD2 4.41Å; L1338-I1355 HydrophobicContact CD1-CD1 3.95Å; L1338-I1355 HydrophobicContact CD1-CG1 3.84Å; L1338-I1355 HydrophobicContact CD1-CG2 4.27Å |
| 1339 | N | 93.8 | Very high | 88.5 | Confident | 55 Ų | 55 | 58.7 Ų | 58.7 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.8 | 178.7 | -73 | -21.4 | 0 | 0 | 0 | 109.8 | L1315 S1316 T1337 W1353 T1354 | L1315-N1339 WeakPolarHBondContact O-CA 3.37Å; S1316-N1339 WeakPolarHBondContact CA-OD1 3.23Å; S1316-N1339 VanDerWaalsContact CB-OD1 3.32Å; S1316-N1339 WeakPolarHBondContact CB-OD1 3.13Å; S1316-N1339 PolarHBondContact OG-OD1 3.47Å; T1337-N1339 HydrophobicContact CG2-CB 4.47Å; N1339-W1353 WeakPolarHBondContact O-CA 3.42Å; N1339-T1354 PolarHBondContact N-O 3.1Å; N1339-T1354 PolarHBondContact O-N 2.87Å |
| 1340 | L | 93.2 | Very high | 89.5 | Confident | 66 Ų | 66 | 59.3 Ų | 59.3 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.8 | 170.9 | -56.3 | 177.9 | 0 | 0 | 0 | 108.9 | T1314 L1315 W1353 | T1314-L1340 WeakPolarHBondContact CA-O 2.87Å; L1315-L1340 HydrophobicContact CB-CB 4.46Å; L1315-L1340 PolarHBondContact N-O 2.88Å; L1315-L1340 PolarHBondContact O-N 3.27Å; L1340-W1353 HydrophobicContact CD2-CB 3.7Å |
| 1341 | T | 94.9 | Very high | 90.3 | Very high | 69 Ų | 69 | 61 Ų | 61 | 42% | 0.423 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 101 | -178.2 | 56.1 | 0 | 0 | 0 | 0 | 110 | I1313 T1314 G1352 | I1313-T1341 CarbonylContact O-C 3.02Å; I1313-T1341 VanDerWaalsContact O-CA 3.31Å; I1313-T1341 WeakPolarHBondContact O-CA 3.47Å; T1314-T1341 HydrophobicContact CG2-CG2 4.17Å; T1341-G1352 PolarHBondContact N-O 2.99Å; T1341-G1352 WeakPolarHBondContact O-CA 3.49Å; T1341-G1352 PolarHBondContact O-N 3.02Å; T1341-G1352 PolarHBondContact OG1-O 3.35Å |
| 1342 | A | 92.6 | Very high | 90.8 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 30% | 0.298 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 113.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | S1312 I1313 E1350 L1351 | S1312-A1342 CarbonylContact C-O 3.5Å; S1312-A1342 VanDerWaalsContact CA-O 3.27Å; S1312-A1342 WeakPolarHBondContact CA-O 3.43Å; I1313-A1342 HydrophobicContact CB-CB 4.47Å; I1313-A1342 PolarHBondContact N-O 2.83Å; I1313-A1342 PolarHBondContact O-N 3.07Å; A1342-E1350 CarbonylContact C-O 3.34Å; A1342-E1350 VanDerWaalsContact CA-O 3.29Å; A1342-E1350 WeakPolarHBondContact CA-O 3.49Å; A1342-L1351 HydrophobicContact CB-CD1 4.01Å |
| 1343 | E | 93.6 | Very high | 91.2 | Very high | 77 Ų | 77 | 58.3 Ų | 58.3 | 36% | 0.36 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 153.2 | 167.9 | -174.1 | 166 | 167.4 | 0 | 0 | 109.3 | G1311 R1345 E1350 | G1311-E1343 CarbonylContact O-C 3.59Å; G1311-E1343 VanDerWaalsContact O-CA 3.28Å; G1311-E1343 WeakPolarHBondContact O-CA 3.27Å; G1311-E1343 WeakPolarHBondContact O-CG 3.36Å; E1343-R1345 HydrophobicContact CG-CB 4.31Å; E1343-R1345 WeakPolarHBondContact OE1-CD 3.5Å; E1343-R1345 IonicContact OE1-CZ 2.88Å; E1343-R1345 IonicContact OE1-NE 3.85Å; E1343-R1345 IonicContact OE1-NH1 3.3Å; E1343-R1345 PolarHBondContact OE1-NH1 3.17Å; E1343-E1350 PolarHBondContact N-O 2.8Å; E1343-E1350 PolarHBondContact O-N 3.44Å |
| 1344 | L | 90.5 | Very high | 91.4 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 120.3 | 172.1 | 169.1 | 46.6 | 0 | 0 | 0 | 107 | L1308 P1309 Q1310 G1311 R1348 A1349 | L1308-L1344 HydrophobicContact CB-CD1 4.04Å; L1308-L1344 HydrophobicContact CB-CD2 3.44Å; L1308-L1344 VanDerWaalsContact CB-CD2 3.44Å; L1308-L1344 HydrophobicContact CB-CG 4.24Å; L1308-L1344 HydrophobicContact CD1-CD2 4.44Å; P1309-L1344 WeakPolarHBondContact O-CB 3.47Å; P1309-L1344 WeakPolarHBondContact O-CD2 3.46Å; P1309-L1344 WeakPolarHBondContact O-CG 3.46Å; Q1310-L1344 CarbonylContact C-O 3.5Å; Q1310-L1344 VanDerWaalsContact C-O 3.24Å; Q1310-L1344 WeakPolarHBondContact CA-O 3.29Å; Q1310-L1344 WeakPolarHBondContact CB-O 3.25Å; G1311-L1344 PolarHBondContact N-O 3.3Å; G1311-L1344 PolarHBondContact O-N 2.82Å; L1344-R1348 CarbonylContact C-O 3.57Å; L1344-R1348 VanDerWaalsContact CA-O 3.29Å; L1344-R1348 WeakPolarHBondContact CA-O 3.48Å; L1344-R1348 VanDerWaalsContact CD1-C 3.48Å; L1344-R1348 VanDerWaalsContact CD1-O 3.26Å; L1344-R1348 WeakPolarHBondContact CD1-O 3.17Å; L1344-A1349 HydrophobicContact CD1-CB 4.06Å |
| 1345 | R | 88.4 | Confident | 91.5 | Very high | 142 Ų | 142 | 59.8 Ų | 59.8 | 54% | 0.536 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 147.3 | -168.2 | -165.3 | 168.6 | 173.1 | -172.6 | -1.5 | 111.8 | E1343 N1347 R1348 | E1343-R1345 HydrophobicContact CG-CB 4.31Å; E1343-R1345 WeakPolarHBondContact OE1-CD 3.5Å; E1343-R1345 IonicContact OE1-CZ 2.88Å; E1343-R1345 IonicContact OE1-NE 3.85Å; E1343-R1345 IonicContact OE1-NH1 3.3Å; E1343-R1345 PolarHBondContact OE1-NH1 3.17Å; R1345-N1347 VanDerWaalsContact C-N 3.28Å; R1345-N1347 PolarHBondContact O-N 2.84Å; R1345-R1348 PolarHBondContact N-O 2.79Å; R1345-R1348 WeakPolarHBondContact O-CB 3.37Å; R1345-R1348 PolarHBondContact O-N 2.82Å |
| 1346 | N | 82 | Confident | 91.5 | Very high | 134 Ų | 134 | 62.3 Ų | 62.3 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 44.2 | 175 | -58.4 | -22 | 0 | 0 | 0 | 113.6 | R1348 | N1346-R1348 VanDerWaalsContact C-N 3.33Å; N1346-R1348 PolarHBondContact O-N 3.09Å |
| 1347 | N | 81.8 | Confident | 91.7 | Very high | 58 Ų | 58 | 57.1 Ų | 57.1 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 40.4 | -172.4 | -160.1 | 22.3 | 0 | 0 | 0 | 114.3 | R1345 D1371 P1372 | R1345-N1347 VanDerWaalsContact C-N 3.28Å; R1345-N1347 PolarHBondContact O-N 2.84Å; N1347-D1371 PolarHBondContact ND2-OD1 3.32Å; N1347-D1371 PolarHBondContact O-N 2.99Å; N1347-P1372 WeakPolarHBondContact O-CD 3.48Å; N1347-P1372 WeakPolarHBondContact OD1-CD 3.18Å |
| 1348 | R | 88.5 | Confident | 91.6 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 123.3 | 174.1 | -177.7 | -162.9 | -64.7 | 170.9 | -1.7 | 111 | L1344 R1345 N1346 E1350 Q1368 V1369 T1370 | L1344-R1348 CarbonylContact C-O 3.57Å; L1344-R1348 VanDerWaalsContact CA-O 3.29Å; L1344-R1348 WeakPolarHBondContact CA-O 3.48Å; L1344-R1348 VanDerWaalsContact CD1-C 3.48Å; L1344-R1348 VanDerWaalsContact CD1-O 3.26Å; L1344-R1348 WeakPolarHBondContact CD1-O 3.17Å; R1345-R1348 PolarHBondContact N-O 2.79Å; R1345-R1348 WeakPolarHBondContact O-CB 3.37Å; R1345-R1348 PolarHBondContact O-N 2.82Å; N1346-R1348 VanDerWaalsContact C-N 3.33Å; N1346-R1348 PolarHBondContact O-N 3.09Å; R1348-E1350 VanDerWaalsContact CD-CG 3.47Å; R1348-E1350 WeakPolarHBondContact CD-OE1 3.36Å; R1348-E1350 HydrophobicContact CG-CG 3.89Å; R1348-E1350 IonicContact CZ-OE1 3.97Å; R1348-E1350 IonicContact NE-OE1 3.48Å; R1348-E1350 IonicContact NH1-OE1 3.88Å; R1348-E1350 PolarHBondContact NH1-OE1 2.94Å; R1348-Q1368 HydrophobicContact CG-CB 4.01Å; R1348-V1369 CarbonylContact C-O 3.38Å; R1348-V1369 VanDerWaalsContact CA-O 3.26Å; R1348-V1369 WeakPolarHBondContact CA-O 3.42Å; R1348-T1370 HydrophobicContact CB-CG2 3.96Å; R1348-T1370 HydrophobicContact CG-CG2 3.66Å |
| 1349 | A | 91.1 | Very high | 91.3 | Very high | 28 Ų | 28 | 64.1 Ų | 64.1 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 132 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | L1344 Q1368 V1369 | L1344-A1349 HydrophobicContact CD1-CB 4.06Å; A1349-Q1368 CarbonylContact O-C 3.25Å; A1349-Q1368 WeakPolarHBondContact O-CA 3.28Å; A1349-V1369 PolarHBondContact N-O 2.95Å; A1349-V1369 PolarHBondContact O-N 3.28Å |
| 1350 | E | 94 | Very high | 91.1 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 17% | 0.168 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.5 | 175.2 | -58.9 | -164.6 | -170.7 | 0 | 0 | 110.1 | A1342 E1343 R1348 Q1366 V1367 Q1368 | A1342-E1350 CarbonylContact C-O 3.34Å; A1342-E1350 VanDerWaalsContact CA-O 3.29Å; A1342-E1350 WeakPolarHBondContact CA-O 3.49Å; E1343-E1350 PolarHBondContact N-O 2.8Å; E1343-E1350 PolarHBondContact O-N 3.44Å; R1348-E1350 VanDerWaalsContact CD-CG 3.47Å; R1348-E1350 WeakPolarHBondContact CD-OE1 3.36Å; R1348-E1350 HydrophobicContact CG-CG 3.89Å; R1348-E1350 IonicContact CZ-OE1 3.97Å; R1348-E1350 IonicContact NE-OE1 3.48Å; R1348-E1350 IonicContact NH1-OE1 3.88Å; R1348-E1350 PolarHBondContact NH1-OE1 2.94Å; E1350-Q1366 PolarHBondContact OE2-NE2 2.84Å; E1350-V1367 CarbonylContact C-O 3.44Å; E1350-V1367 VanDerWaalsContact CA-O 3.27Å; E1350-V1367 WeakPolarHBondContact CA-O 3.49Å; E1350-Q1368 HydrophobicContact CG-CB 3.99Å |
| 1351 | L | 95.1 | Very high | 90.9 | Very high | 86 Ų | 86 | 61 Ų | 61 | 45% | 0.45 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 102.7 | 172.6 | 179.4 | 62.4 | 0 | 0 | 0 | 109.4 | A1342 W1353 Q1366 V1367 | A1342-L1351 HydrophobicContact CB-CD1 4.01Å; L1351-W1353 HydrophobicContact CD2-CZ3 4.34Å; L1351-W1353 HydrophobicContact CG-CE3 4.11Å; L1351-W1353 HydrophobicContact CG-CZ3 4.22Å; L1351-W1353 WeakPolarHBondContact O-CZ3 3.49Å; L1351-Q1366 WeakPolarHBondContact O-CA 3.08Å; L1351-V1367 PolarHBondContact N-O 3.12Å; L1351-V1367 PolarHBondContact O-N 3.06Å |
| 1352 | G | 96.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 146.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1341 G1365 | T1341-G1352 PolarHBondContact N-O 2.99Å; T1341-G1352 WeakPolarHBondContact O-CA 3.49Å; T1341-G1352 PolarHBondContact O-N 3.02Å; T1341-G1352 PolarHBondContact OG1-O 3.35Å; G1352-G1365 CarbonylContact C-O 3.58Å; G1352-G1365 VanDerWaalsContact CA-O 3.26Å; G1352-G1365 WeakPolarHBondContact CA-O 3.41Å |
| 1353 | W | 95.9 | Very high | 90.8 | Very high | 33 Ų | 33 | 61 Ų | 61 | 13% | 0.125 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.9 | 170.8 | 61.6 | 89.1 | 0 | 0 | 0 | 112.4 | N1339 L1340 L1351 I1355 F1363 D1364 G1365 V1367 V1382 | N1339-W1353 WeakPolarHBondContact O-CA 3.42Å; L1340-W1353 HydrophobicContact CD2-CB 3.7Å; L1351-W1353 HydrophobicContact CD2-CZ3 4.34Å; L1351-W1353 HydrophobicContact CG-CE3 4.11Å; L1351-W1353 HydrophobicContact CG-CZ3 4.22Å; L1351-W1353 WeakPolarHBondContact O-CZ3 3.49Å; W1353-I1355 HydrophobicContact CB-CG1 4.48Å; W1353-F1363 AromaticContact CD1-CD1 3.67Å; W1353-F1363 AromaticContact CE2-CD1 3.99Å; W1353-F1363 AromaticContact CE2-CE1 3.53Å; W1353-F1363 AromaticContact CE2-CZ 3.81Å; W1353-F1363 AromaticContact CZ2-CE1 3.69Å; W1353-F1363 HydrophobicContact CZ2-CE1 3.69Å; W1353-F1363 HydrophobicContact CZ2-CE2 4.22Å; W1353-F1363 AromaticContact CZ2-CZ 3.51Å; W1353-F1363 HydrophobicContact CZ2-CZ 3.51Å; W1353-F1363 AromaticContact NE1-CD1 3.14Å; W1353-F1363 AromaticContact NE1-CD2 3.99Å; W1353-F1363 AromaticContact NE1-CE1 3.17Å; W1353-F1363 AromaticContact NE1-CG 3.58Å; W1353-F1363 AromaticContact NE1-CZ 3.65Å; W1353-D1364 WeakPolarHBondContact O-CA 3.43Å; W1353-G1365 PolarHBondContact N-O 2.88Å; W1353-G1365 PolarHBondContact O-N 3.43Å; W1353-V1367 HydrophobicContact CH2-CG2 3.51Å; W1353-V1367 HydrophobicContact CZ3-CB 4.38Å; W1353-V1367 HydrophobicContact CZ3-CG2 3.65Å; W1353-V1382 HydrophobicContact CH2-CG2 3.89Å; W1353-V1382 HydrophobicContact CZ2-CG1 4.11Å; W1353-V1382 HydrophobicContact CZ2-CG2 3.94Å |
| 1354 | T | 94.6 | Very high | 90.7 | Very high | 57 Ų | 57 | 58.1 Ų | 58.1 | 35% | 0.35 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 102.8 | 167.4 | -63.5 | 0 | 0 | 0 | 0 | 108.2 | T1337 N1339 | T1337-T1354 HydrophobicContact CG2-CG2 4.32Å; N1339-T1354 PolarHBondContact N-O 3.1Å; N1339-T1354 PolarHBondContact O-N 2.87Å |
| 1355 | I | 93.2 | Very high | 90.8 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 18% | 0.179 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 104.8 | -179.1 | -53 | -172.9 | 0 | 0 | 0 | 107.3 | F1335 T1337 L1338 W1353 L1357 Q1362 F1363 | F1335-I1355 HydrophobicContact CD1-CG2 3.81Å; F1335-I1355 HydrophobicContact CE1-CG2 3.77Å; T1337-I1355 CarbonylContact O-C 3.55Å; T1337-I1355 WeakPolarHBondContact O-CA 3.44Å; L1338-I1355 HydrophobicContact CD1-CD1 3.95Å; L1338-I1355 HydrophobicContact CD1-CG1 3.84Å; L1338-I1355 HydrophobicContact CD1-CG2 4.27Å; W1353-I1355 HydrophobicContact CB-CG1 4.48Å; I1355-L1357 HydrophobicContact CG2-CD2 4.03Å; I1355-L1357 HydrophobicContact CG2-CG 4.41Å; I1355-Q1362 CarbonylContact O-C 3.25Å; I1355-Q1362 VanDerWaalsContact O-CA 3.26Å; I1355-Q1362 WeakPolarHBondContact O-CA 3.49Å; I1355-Q1362 WeakPolarHBondContact O-CB 3.31Å; I1355-F1363 HydrophobicContact CB-CB 4.38Å; I1355-F1363 HydrophobicContact CD1-CD1 4.37Å; I1355-F1363 PolarHBondContact N-O 3.33Å; I1355-F1363 PolarHBondContact O-N 3.21Å |
| 1356 | R | 92.1 | Very high | 91.2 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 113.5 | 172.3 | -172.7 | 174.3 | -66.4 | 137.6 | 0.2 | 109 | Q1336 T1337 Q1362 | Q1336-R1356 HydrophobicContact CB-CG 4.37Å; Q1336-R1356 PolarHBondContact N-O 3.33Å; T1337-R1356 PolarHBondContact N-O 2.95Å; T1337-R1356 VanDerWaalsContact N-O 3.12Å; T1337-R1356 PolarHBondContact O-N 2.86Å; R1356-Q1362 HydrophobicContact CB-CB 4.24Å; R1356-Q1362 HydrophobicContact CG-CB 4.3Å; R1356-Q1362 VanDerWaalsContact NE-OE1 3.16Å |
| 1357 | L | 91.1 | Very high | 91.7 | Very high | 16 Ų | 16 | 50.6 Ų | 50.6 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 134.6 | 178.5 | -59.1 | 175.1 | 0 | 0 | 0 | 108.5 | V1333 F1335 I1355 N1359 N1360 G1361 F1387 M1391 | V1333-L1357 HydrophobicContact CG1-CD2 3.89Å; F1335-L1357 HydrophobicContact CD1-CD2 3.57Å; F1335-L1357 HydrophobicContact CE1-CD2 3.5Å; F1335-L1357 HydrophobicContact CG-CD2 4.31Å; F1335-L1357 HydrophobicContact CZ-CD2 4.19Å; I1355-L1357 HydrophobicContact CG2-CD2 4.03Å; I1355-L1357 HydrophobicContact CG2-CG 4.41Å; L1357-N1359 PolarHBondContact O-N 3.36Å; L1357-N1360 HydrophobicContact CB-CB 3.91Å; L1357-N1360 PolarHBondContact O-N 3.1Å; L1357-N1360 VanDerWaalsContact O-N 3.1Å; L1357-G1361 PolarHBondContact N-O 2.79Å; L1357-G1361 VanDerWaalsContact N-O 3.08Å; L1357-F1387 HydrophobicContact CD1-CD2 4.14Å; L1357-F1387 HydrophobicContact CD1-CE2 3.64Å; L1357-M1391 HydrophobicContact CD1-SD 3.74Å |
| 1358 | T | 88.5 | Confident | 92.3 | Very high | 53 Ų | 53 | 50.1 Ų | 50.1 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 115.6 | -177.6 | -62.3 | 0 | 0 | 0 | 0 | 109.5 | A1334 Q1336 N1360 | A1334-T1358 PolarHBondContact O-N 2.87Å; A1334-T1358 PolarHBondContact O-OG1 3.47Å; Q1336-T1358 PolarHBondContact N-OG1 2.77Å; T1358-N1360 PolarHBondContact O-N 2.81Å; T1358-N1360 VanDerWaalsContact O-N 3.12Å; T1358-N1360 PolarHBondContact O-ND2 2.89Å |
| 1359 | N | 85.7 | Confident | 92.5 | Very high | 146 Ų | 146 | 47 Ų | 47 | 78% | 0.781 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 9.2 | -177.1 | -54.2 | -22.3 | 0 | 0 | 0 | 116.7 | L1357 | L1357-N1359 PolarHBondContact O-N 3.36Š|
| 1360 | N | 89.2 | Confident | 92.4 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 18% | 0.176 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 20.6 | -172.8 | -71.3 | -66.2 | 0 | 0 | 0 | 114.5 | L1357 T1358 F1387 N1388 M1391 | L1357-N1360 HydrophobicContact CB-CB 3.91Å; L1357-N1360 PolarHBondContact O-N 3.1Å; L1357-N1360 VanDerWaalsContact O-N 3.1Å; T1358-N1360 PolarHBondContact O-N 2.81Å; T1358-N1360 VanDerWaalsContact O-N 3.12Å; T1358-N1360 PolarHBondContact O-ND2 2.89Å; N1360-F1387 WeakPolarHBondContact O-CA 3.31Å; N1360-N1388 HydrophobicContact CB-CB 4.38Å; N1360-N1388 PolarHBondContact O-N 2.91Å; N1360-N1388 VanDerWaalsContact O-N 3.14Å; N1360-M1391 HydrophobicContact CB-CB 4.19Å; N1360-M1391 HydrophobicContact CB-CG 4.19Å; N1360-M1391 HydrophobicContact CB-SD 4.16Å |
| 1361 | G | 90.6 | Very high | 92 | Very high | 23 Ų | 23 | 48 Ų | 48 | 24% | 0.237 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 92 | -164.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1357 N1386 | L1357-G1361 PolarHBondContact N-O 2.79Å; L1357-G1361 VanDerWaalsContact N-O 3.08Å; G1361-N1386 VanDerWaalsContact CA-O 3.32Å; G1361-N1386 WeakPolarHBondContact CA-O 3.31Å |
| 1362 | Q | 92.8 | Very high | 91.5 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 149.8 | 174.5 | 65.9 | 176.6 | 57.4 | 0 | 0 | 113.6 | I1355 R1356 D1364 R1385 | I1355-Q1362 CarbonylContact O-C 3.25Å; I1355-Q1362 VanDerWaalsContact O-CA 3.26Å; I1355-Q1362 WeakPolarHBondContact O-CA 3.49Å; I1355-Q1362 WeakPolarHBondContact O-CB 3.31Å; R1356-Q1362 HydrophobicContact CB-CB 4.24Å; R1356-Q1362 HydrophobicContact CG-CB 4.3Å; R1356-Q1362 VanDerWaalsContact NE-OE1 3.16Å; Q1362-D1364 PolarHBondContact NE2-OD1 2.88Å; Q1362-R1385 HydrophobicContact CG-CB 3.91Å; Q1362-R1385 HydrophobicContact CG-CG 4.29Å; Q1362-R1385 PolarHBondContact N-O 3.49Å; Q1362-R1385 VanDerWaalsContact N-O 3.09Å; Q1362-R1385 PolarHBondContact O-N 2.88Å |
| 1363 | F | 90.9 | Very high | 90.7 | Very high | 73 Ų | 73 | 48.5 Ų | 48.5 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.1 | 168.2 | -175.9 | -129.5 | 0 | 0 | 0 | 107.5 | W1353 I1355 V1382 N1383 I1384 | W1353-F1363 AromaticContact CD1-CD1 3.67Å; W1353-F1363 AromaticContact CE2-CD1 3.99Å; W1353-F1363 AromaticContact CE2-CE1 3.53Å; W1353-F1363 AromaticContact CE2-CZ 3.81Å; W1353-F1363 AromaticContact CZ2-CE1 3.69Å; W1353-F1363 HydrophobicContact CZ2-CE1 3.69Å; W1353-F1363 HydrophobicContact CZ2-CE2 4.22Å; W1353-F1363 AromaticContact CZ2-CZ 3.51Å; W1353-F1363 HydrophobicContact CZ2-CZ 3.51Å; W1353-F1363 AromaticContact NE1-CD1 3.14Å; W1353-F1363 AromaticContact NE1-CD2 3.99Å; W1353-F1363 AromaticContact NE1-CE1 3.17Å; W1353-F1363 AromaticContact NE1-CG 3.58Å; W1353-F1363 AromaticContact NE1-CZ 3.65Å; I1355-F1363 HydrophobicContact CB-CB 4.38Å; I1355-F1363 HydrophobicContact CD1-CD1 4.37Å; I1355-F1363 PolarHBondContact N-O 3.33Å; I1355-F1363 PolarHBondContact O-N 3.21Å; F1363-V1382 HydrophobicContact CE2-CG1 3.5Å; F1363-V1382 VanDerWaalsContact CE2-CG1 3.5Å; F1363-V1382 HydrophobicContact CZ-CG1 3.92Å; F1363-N1383 WeakPolarHBondContact CD2-O 3.38Å; F1363-I1384 HydrophobicContact CD2-CG1 3.87Å; F1363-I1384 HydrophobicContact CE2-CG1 4.02Å |
| 1364 | D | 93 | Very high | 90.2 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 9% | 0.086 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 137.7 | -179.7 | 64 | -95.9 | 0 | 0 | 0 | 110.3 | W1353 Q1362 N1383 R1385 | W1353-D1364 WeakPolarHBondContact O-CA 3.43Å; Q1362-D1364 PolarHBondContact NE2-OD1 2.88Å; D1364-N1383 PolarHBondContact N-O 2.9Å; D1364-N1383 WeakPolarHBondContact O-CA 2.99Å; D1364-N1383 WeakPolarHBondContact O-CB 3.2Å; D1364-N1383 PolarHBondContact O-N 2.78Å; D1364-N1383 PolarHBondContact OD2-ND2 3.22Å; D1364-R1385 IonicContact OD1-CZ 2.66Å; D1364-R1385 IonicContact OD1-NE 2.66Å; D1364-R1385 PolarHBondContact OD1-NE 3.34Å; D1364-R1385 IonicContact OD1-NH2 3.96Å; D1364-R1385 PolarHBondContact OD1-NH2 3.49Å; D1364-R1385 IonicContact OD2-CZ 3.37Å; D1364-R1385 IonicContact OD2-NE 3.32Å; D1364-R1385 PolarHBondContact OD2-NE 3.02Å; D1364-R1385 IonicContact OD2-NH2 2.67Å; D1364-R1385 PolarHBondContact OD2-NH2 2.83Å |
| 1365 | G | 92.5 | Very high | 89.7 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 163.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1352 W1353 N1381 | G1352-G1365 CarbonylContact C-O 3.58Å; G1352-G1365 VanDerWaalsContact CA-O 3.26Å; G1352-G1365 WeakPolarHBondContact CA-O 3.41Å; W1353-G1365 PolarHBondContact N-O 2.88Å; W1353-G1365 PolarHBondContact O-N 3.43Å; G1365-N1381 CarbonylContact C-O 3.03Å; G1365-N1381 WeakPolarHBondContact CA-O 3.26Å |
| 1366 | Q | 95.5 | Very high | 89.6 | Confident | 106 Ų | 106 | 59.1 Ų | 59.1 | 50% | 0.495 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 93.3 | 174.7 | -176.8 | 177.8 | 3 | 0 | 0 | 106.4 | E1350 L1351 G1380 N1381 | E1350-Q1366 PolarHBondContact OE2-NE2 2.84Å; L1351-Q1366 WeakPolarHBondContact O-CA 3.08Å; Q1366-G1380 CarbonylContact O-C 3.51Å; Q1366-G1380 WeakPolarHBondContact O-CA 3.22Å; Q1366-N1381 PolarHBondContact N-O 3.22Å; Q1366-N1381 PolarHBondContact O-N 3.07Å |
| 1367 | V | 93.6 | Very high | 89.6 | Confident | 29 Ų | 29 | 57.1 Ų | 57.1 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 140.3 | 173.4 | 177.8 | 0 | 0 | 0 | 0 | 108 | E1350 L1351 W1353 L1378 V1382 L1412 | E1350-V1367 CarbonylContact C-O 3.44Å; E1350-V1367 VanDerWaalsContact CA-O 3.27Å; E1350-V1367 WeakPolarHBondContact CA-O 3.49Å; L1351-V1367 PolarHBondContact N-O 3.12Å; L1351-V1367 PolarHBondContact O-N 3.06Å; W1353-V1367 HydrophobicContact CH2-CG2 3.51Å; W1353-V1367 HydrophobicContact CZ3-CB 4.38Å; W1353-V1367 HydrophobicContact CZ3-CG2 3.65Å; V1367-L1378 HydrophobicContact CG1-CD1 3.82Å; V1367-V1382 HydrophobicContact CG2-CG2 3.97Å; V1367-L1412 HydrophobicContact CB-CD1 4.27Å; V1367-L1412 HydrophobicContact CG1-CD1 3.79Å; V1367-L1412 HydrophobicContact CG2-CD1 3.71Å |
| 1368 | Q | 94.2 | Very high | 89.7 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 23% | 0.229 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.2 | 170.2 | 60.2 | 164.5 | 43.7 | 0 | 0 | 111.6 | R1348 A1349 E1350 L1378 G1379 | R1348-Q1368 HydrophobicContact CG-CB 4.01Å; A1349-Q1368 CarbonylContact O-C 3.25Å; A1349-Q1368 WeakPolarHBondContact O-CA 3.28Å; E1350-Q1368 HydrophobicContact CG-CB 3.99Å; Q1368-L1378 CarbonylContact O-C 3.55Å; Q1368-G1379 VanDerWaalsContact CG-C 3.45Å; Q1368-G1379 PolarHBondContact N-O 3.15Å; Q1368-G1379 PolarHBondContact O-N 3.02Å |
| 1369 | V | 91.8 | Very high | 89.9 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 15% | 0.145 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 107.5 | 164.8 | -174 | 0 | 0 | 0 | 0 | 107.1 | R1348 A1349 P1372 R1376 N1377 L1378 V1416 | R1348-V1369 CarbonylContact C-O 3.38Å; R1348-V1369 VanDerWaalsContact CA-O 3.26Å; R1348-V1369 WeakPolarHBondContact CA-O 3.42Å; A1349-V1369 PolarHBondContact N-O 2.95Å; A1349-V1369 PolarHBondContact O-N 3.28Å; V1369-P1372 HydrophobicContact CB-CB 4.18Å; V1369-P1372 HydrophobicContact CG1-CB 3.71Å; V1369-P1372 WeakPolarHBondContact O-CD 3.33Å; V1369-R1376 HydrophobicContact CG1-CB 4.1Å; V1369-N1377 CarbonylContact C-O 3.54Å; V1369-N1377 WeakPolarHBondContact CA-O 3.38Å; V1369-L1378 HydrophobicContact CG2-CD1 3.84Å; V1369-V1416 HydrophobicContact CB-CG2 4.49Å; V1369-V1416 HydrophobicContact CG1-CG2 3.79Å; V1369-V1416 HydrophobicContact CG2-CG2 3.79Å |
| 1370 | T | 89.9 | Confident | 90.3 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 24% | 0.239 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 135 | 170.8 | 41.4 | 0 | 0 | 0 | 0 | 110.2 | R1348 N1377 | R1348-T1370 HydrophobicContact CB-CG2 3.96Å; R1348-T1370 HydrophobicContact CG-CG2 3.66Å; T1370-N1377 PolarHBondContact N-O 3.43Å; T1370-N1377 PolarHBondContact O-N 3.43Å; T1370-N1377 PolarHBondContact O-ND2 3.15Å; T1370-N1377 PolarHBondContact OG1-O 3.27Å; T1370-N1377 VanDerWaalsContact OG1-O 3.09Å |
| 1371 | D | 85.9 | Confident | 90.7 | Very high | 46 Ų | 46 | 51.2 Ų | 51.2 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 56.9 | 52.5 | -169.2 | -169.5 | 29.2 | 0 | 0 | 0 | 114.3 | N1347 Q1373 G1374 R1375 R1376 | N1347-D1371 PolarHBondContact ND2-OD1 3.32Å; N1347-D1371 PolarHBondContact O-N 2.99Å; D1371-Q1373 PolarHBondContact O-N 3.47Å; D1371-Q1373 VanDerWaalsContact O-N 3.08Å; D1371-G1374 PolarHBondContact O-N 3.16Å; D1371-G1374 PolarHBondContact OD1-N 3.21Å; D1371-G1374 WeakPolarHBondContact OD2-CA 3.3Å; D1371-R1375 PolarHBondContact OD2-N 2.87Å; D1371-R1376 WeakPolarHBondContact O-CA 3.35Å; D1371-R1376 PolarHBondContact O-N 2.99Å |
| 1372 | P | 84.7 | Confident | 90.8 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 10% | 0.104 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -8.7 | -173.8 | 28.7 | -37.7 | 0 | 0 | 0 | 115.8 | L1308 N1347 V1369 R1376 | L1308-P1372 HydrophobicContact CD1-CB 3.72Å; L1308-P1372 HydrophobicContact CD1-CG 3.6Å; L1308-P1372 HydrophobicContact CG-CG 4.06Å; N1347-P1372 WeakPolarHBondContact O-CD 3.48Å; N1347-P1372 WeakPolarHBondContact OD1-CD 3.18Å; V1369-P1372 HydrophobicContact CB-CB 4.18Å; V1369-P1372 HydrophobicContact CG1-CB 3.71Å; V1369-P1372 WeakPolarHBondContact O-CD 3.33Å; P1372-R1376 PolarHBondContact O-NE 3.23Å |
| 1373 | Q | 80.2 | Confident | 90.9 | Very high | 88 Ų | 88 | 51 Ų | 51 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -47.1 | 169.1 | -77.4 | -174.9 | -19.4 | 0 | 0 | 112.2 | G1307 L1308 D1371 | G1307-Q1373 PolarHBondContact O-NE2 3.11Å; G1307-Q1373 VanDerWaalsContact O-NE2 3.16Å; L1308-Q1373 HydrophobicContact CD2-CG 3.85Å; L1308-Q1373 HydrophobicContact CG-CG 4.1Å; D1371-Q1373 PolarHBondContact O-N 3.47Å; D1371-Q1373 VanDerWaalsContact O-N 3.08Å |
| 1374 | G | 85 | Confident | 91.1 | Very high | 48 Ų | 48 | 49 Ų | 49 | 50% | 0.495 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -108 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | D1371 R1376 | D1371-G1374 PolarHBondContact O-N 3.16Å; D1371-G1374 PolarHBondContact OD1-N 3.21Å; D1371-G1374 WeakPolarHBondContact OD2-CA 3.3Å; G1374-R1376 WeakPolarHBondContact O-CG 3.33Å; G1374-R1376 PolarHBondContact O-N 3.49Å |
| 1375 | R | 83.9 | Confident | 91.1 | Very high | 190 Ų | 190 | 53.9 Ų | 53.9 | 72% | 0.717 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.3 | -174.3 | -65.1 | -175.9 | -175.4 | -172.2 | 0.3 | 114.9 | D1371 N1377 D1415 | D1371-R1375 PolarHBondContact OD2-N 2.87Å; R1375-N1377 WeakPolarHBondContact CB-OD1 2.98Å; R1375-N1377 PolarHBondContact O-N 3.34Å; R1375-N1377 VanDerWaalsContact O-N 3.16Å; R1375-D1415 WeakPolarHBondContact O-CB 2.95Å |
| 1376 | R | 90.4 | Very high | 90.8 | Very high | 111 Ų | 111 | 58.1 Ų | 58.1 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | trans | 51.7 | 35.8 | -177.5 | -42 | -166.5 | 178.1 | -171.9 | -2.3 | 114 | V1369 D1371 P1372 G1374 L1378 D1415 V1416 | V1369-R1376 HydrophobicContact CG1-CB 4.1Å; D1371-R1376 WeakPolarHBondContact O-CA 3.35Å; D1371-R1376 PolarHBondContact O-N 2.99Å; P1372-R1376 PolarHBondContact O-NE 3.23Å; G1374-R1376 WeakPolarHBondContact O-CG 3.33Å; G1374-R1376 PolarHBondContact O-N 3.49Å; R1376-L1378 PolarHBondContact O-N 3.26Å; R1376-L1378 VanDerWaalsContact O-N 3.08Å; R1376-D1415 CarbonylContact O-C 3.24Å; R1376-D1415 VanDerWaalsContact O-CA 3.22Å; R1376-D1415 WeakPolarHBondContact O-CA 3.34Å; R1376-D1415 WeakPolarHBondContact O-CB 3.28Å; R1376-V1416 HydrophobicContact CB-CB 3.82Å; R1376-V1416 HydrophobicContact CB-CG2 3.87Å; R1376-V1416 PolarHBondContact O-N 2.93Å | ||
| 1377 | N | 92.4 | Very high | 90.6 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 116.6 | -175.4 | -28.7 | -107.1 | 0 | 0 | 0 | 110 | V1369 T1370 R1375 G1414 | V1369-N1377 CarbonylContact C-O 3.54Å; V1369-N1377 WeakPolarHBondContact CA-O 3.38Å; T1370-N1377 PolarHBondContact N-O 3.43Å; T1370-N1377 PolarHBondContact O-N 3.43Å; T1370-N1377 PolarHBondContact O-ND2 3.15Å; T1370-N1377 PolarHBondContact OG1-O 3.27Å; T1370-N1377 VanDerWaalsContact OG1-O 3.09Å; R1375-N1377 WeakPolarHBondContact CB-OD1 2.98Å; R1375-N1377 PolarHBondContact O-N 3.34Å; R1375-N1377 VanDerWaalsContact O-N 3.16Å; N1377-G1414 CarbonylContact C-O 3.57Å; N1377-G1414 VanDerWaalsContact CA-O 3.24Å; N1377-G1414 WeakPolarHBondContact CA-O 3.37Å |
| 1378 | L | 93.1 | Very high | 90.6 | Very high | 28 Ų | 28 | 56.4 Ų | 56.4 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 151.1 | -175.3 | -176.4 | 69.2 | 0 | 0 | 0 | 109.7 | V1367 Q1368 V1369 R1376 L1412 G1413 G1414 P1419 | V1367-L1378 HydrophobicContact CG1-CD1 3.82Å; Q1368-L1378 CarbonylContact O-C 3.55Å; V1369-L1378 HydrophobicContact CG2-CD1 3.84Å; R1376-L1378 PolarHBondContact O-N 3.26Å; R1376-L1378 VanDerWaalsContact O-N 3.08Å; L1378-L1412 HydrophobicContact CD1-CD1 4.39Å; L1378-L1412 HydrophobicContact CD2-CB 4.22Å; L1378-L1412 HydrophobicContact CD2-CD1 4.39Å; L1378-L1412 HydrophobicContact CD2-CD2 4.14Å; L1378-L1412 HydrophobicContact CD2-CG 4.49Å; L1378-L1412 HydrophobicContact CG-CB 4.02Å; L1378-L1412 HydrophobicContact CG-CD1 4.36Å; L1378-G1413 CarbonylContact O-C 3.53Å; L1378-G1413 WeakPolarHBondContact O-CA 3.33Å; L1378-G1414 PolarHBondContact N-O 2.87Å; L1378-P1419 HydrophobicContact CD2-CB 3.71Å |
| 1379 | G | 93.7 | Very high | 90.3 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | -171.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1368 L1412 | Q1368-G1379 VanDerWaalsContact CG-C 3.45Å; Q1368-G1379 PolarHBondContact N-O 3.15Å; Q1368-G1379 PolarHBondContact O-N 3.02Å; G1379-L1412 WeakPolarHBondContact CA-O 3.08Å |
| 1380 | G | 93.9 | Very high | 90.1 | Very high | 17 Ų | 17 | 56 Ų | 56 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.3 | -166 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q1366 R1411 L1412 | Q1366-G1380 CarbonylContact O-C 3.51Å; Q1366-G1380 WeakPolarHBondContact O-CA 3.22Å; G1380-R1411 CarbonylContact O-C 3.52Å; G1380-R1411 WeakPolarHBondContact O-CA 3.23Å; G1380-L1412 PolarHBondContact O-N 3.43Å |
| 1381 | N | 96.2 | Very high | 90 | Very high | 73 Ų | 73 | 55.6 Ų | 55.6 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 144.7 | -169.4 | -76.9 | 101.9 | 0 | 0 | 0 | 112.5 | G1365 Q1366 L1410 | G1365-N1381 CarbonylContact C-O 3.03Å; G1365-N1381 WeakPolarHBondContact CA-O 3.26Å; Q1366-N1381 PolarHBondContact N-O 3.22Å; Q1366-N1381 PolarHBondContact O-N 3.07Å; N1381-L1410 VanDerWaalsContact CA-O 3.27Å; N1381-L1410 WeakPolarHBondContact CA-O 3.18Å; N1381-L1410 PolarHBondContact ND2-O 2.99Å |
| 1382 | V | 92.8 | Very high | 90 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 116.6 | 174.8 | 175.7 | 0 | 0 | 0 | 0 | 108.1 | W1353 F1363 V1367 L1410 L1412 | W1353-V1382 HydrophobicContact CH2-CG2 3.89Å; W1353-V1382 HydrophobicContact CZ2-CG1 4.11Å; W1353-V1382 HydrophobicContact CZ2-CG2 3.94Å; F1363-V1382 HydrophobicContact CE2-CG1 3.5Å; F1363-V1382 VanDerWaalsContact CE2-CG1 3.5Å; F1363-V1382 HydrophobicContact CZ-CG1 3.92Å; V1367-V1382 HydrophobicContact CG2-CG2 3.97Å; V1382-L1410 HydrophobicContact CB-CB 4.33Å; V1382-L1410 PolarHBondContact N-O 3.44Å; V1382-L1410 WeakPolarHBondContact O-CB 3.28Å; V1382-L1410 PolarHBondContact O-N 2.71Å; V1382-L1412 HydrophobicContact CG2-CD1 4.38Å |
| 1383 | N | 96 | Very high | 89.8 | Confident | 27 Ų | 27 | 58 Ų | 58 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.7 | -178 | -43.9 | -52.4 | 0 | 0 | 0 | 110.2 | F1363 D1364 R1385 A1408 | F1363-N1383 WeakPolarHBondContact CD2-O 3.38Å; D1364-N1383 PolarHBondContact N-O 2.9Å; D1364-N1383 WeakPolarHBondContact O-CA 2.99Å; D1364-N1383 WeakPolarHBondContact O-CB 3.2Å; D1364-N1383 PolarHBondContact O-N 2.78Å; D1364-N1383 PolarHBondContact OD2-ND2 3.22Å; N1383-R1385 HydrophobicContact CB-CG 4.47Å; N1383-A1408 CarbonylContact C-O 3.49Å; N1383-A1408 VanDerWaalsContact CA-O 3.27Å; N1383-A1408 WeakPolarHBondContact CA-O 3.06Å |
| 1384 | I | 93.9 | Very high | 89.8 | Confident | 31 Ų | 31 | 56.9 Ų | 56.9 | 16% | 0.159 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.3 | 165 | -48.8 | 174.4 | 0 | 0 | 0 | 105.7 | F1363 F1387 V1406 S1407 A1408 | F1363-I1384 HydrophobicContact CD2-CG1 3.87Å; F1363-I1384 HydrophobicContact CE2-CG1 4.02Å; I1384-F1387 HydrophobicContact CG2-CB 3.42Å; I1384-F1387 VanDerWaalsContact CG2-CB 3.42Å; I1384-F1387 HydrophobicContact CG2-CG 4.33Å; I1384-V1406 HydrophobicContact CD1-CG1 3.9Å; I1384-V1406 HydrophobicContact CG2-CB 4.42Å; I1384-V1406 HydrophobicContact CG2-CG1 4.15Å; I1384-V1406 WeakPolarHBondContact CG2-O 3.16Å; I1384-S1407 CarbonylContact O-C 3.59Å; I1384-S1407 WeakPolarHBondContact O-CA 3.42Å; I1384-A1408 HydrophobicContact CB-CB 4.11Å; I1384-A1408 HydrophobicContact CD1-CB 3.98Å; I1384-A1408 HydrophobicContact CG1-CB 3.99Å; I1384-A1408 PolarHBondContact N-O 3.32Å; I1384-A1408 PolarHBondContact O-N 3.21Å |
| 1385 | R | 92.9 | Very high | 89.5 | Confident | 120 Ų | 120 | 57 Ų | 57 | 45% | 0.453 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 108.9 | -179.6 | -47.2 | -171 | -153.3 | -156 | 3.6 | 110.2 | Q1362 D1364 N1383 F1387 | Q1362-R1385 HydrophobicContact CG-CB 3.91Å; Q1362-R1385 HydrophobicContact CG-CG 4.29Å; Q1362-R1385 PolarHBondContact N-O 3.49Å; Q1362-R1385 VanDerWaalsContact N-O 3.09Å; Q1362-R1385 PolarHBondContact O-N 2.88Å; D1364-R1385 IonicContact OD1-CZ 2.66Å; D1364-R1385 IonicContact OD1-NE 2.66Å; D1364-R1385 PolarHBondContact OD1-NE 3.34Å; D1364-R1385 IonicContact OD1-NH2 3.96Å; D1364-R1385 PolarHBondContact OD1-NH2 3.49Å; D1364-R1385 IonicContact OD2-CZ 3.37Å; D1364-R1385 IonicContact OD2-NE 3.32Å; D1364-R1385 PolarHBondContact OD2-NE 3.02Å; D1364-R1385 IonicContact OD2-NH2 2.67Å; D1364-R1385 PolarHBondContact OD2-NH2 2.83Å; N1383-R1385 HydrophobicContact CB-CG 4.47Å; R1385-F1387 VanDerWaalsContact C-N 3.25Å; R1385-F1387 PolarHBondContact O-N 2.75Å |
| 1386 | N | 87.2 | Confident | 88.9 | Confident | 99 Ų | 99 | 50.2 Ų | 50.2 | 53% | 0.529 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.2 | 41.1 | 175.9 | -51.9 | -17.6 | 0 | 0 | 0 | 112.4 | G1361 N1388 M1405 S1407 | G1361-N1386 VanDerWaalsContact CA-O 3.32Å; G1361-N1386 WeakPolarHBondContact CA-O 3.31Å; N1386-N1388 PolarHBondContact O-N 3.01Å; N1386-M1405 HydrophobicContact CB-SD 4.15Å; N1386-S1407 PolarHBondContact N-OG 2.94Å; N1386-S1407 PolarHBondContact OD1-OG 2.82Å |
| 1387 | F | 91.8 | Very high | 87.6 | Confident | 53 Ų | 53 | 47.4 Ų | 47.4 | 23% | 0.232 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 119.2 | 176 | 177.2 | -84.8 | 0 | 0 | 0 | 108.7 | L1357 N1360 I1384 R1385 L1389 M1391 M1405 V1406 | L1357-F1387 HydrophobicContact CD1-CD2 4.14Å; L1357-F1387 HydrophobicContact CD1-CE2 3.64Å; N1360-F1387 WeakPolarHBondContact O-CA 3.31Å; I1384-F1387 HydrophobicContact CG2-CB 3.42Å; I1384-F1387 VanDerWaalsContact CG2-CB 3.42Å; I1384-F1387 HydrophobicContact CG2-CG 4.33Å; R1385-F1387 VanDerWaalsContact C-N 3.25Å; R1385-F1387 PolarHBondContact O-N 2.75Å; F1387-L1389 HydrophobicContact CE1-CD2 4.48Å; F1387-M1391 HydrophobicContact CE2-CE 4.48Å; F1387-M1391 HydrophobicContact CZ-CE 4.06Å; F1387-M1405 WeakPolarHBondContact O-CA 3.12Å; F1387-V1406 HydrophobicContact CB-CB 4.29Å; F1387-V1406 HydrophobicContact CD1-CB 4.35Å; F1387-V1406 HydrophobicContact CD1-CG2 4.42Å; F1387-V1406 PolarHBondContact N-O 2.91Å; F1387-V1406 PolarHBondContact O-N 2.68Å |
| 1388 | N | 93.1 | Very high | 86 | Confident | 47 Ų | 47 | 52.8 Ų | 52.8 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 115.8 | -168.9 | -174.7 | 6.6 | 0 | 0 | 0 | 110.8 | N1360 N1386 A1390 M1391 | N1360-N1388 HydrophobicContact CB-CB 4.38Å; N1360-N1388 PolarHBondContact O-N 2.91Å; N1360-N1388 VanDerWaalsContact O-N 3.14Å; N1386-N1388 PolarHBondContact O-N 3.01Å; N1388-A1390 PolarHBondContact O-N 3.14Å; N1388-A1390 VanDerWaalsContact O-N 3.16Å; N1388-A1390 WeakPolarHBondContact OD1-CB 3.36Å; N1388-A1390 PolarHBondContact OD1-N 3.3Å; N1388-A1390 VanDerWaalsContact OD1-N 3.12Å; N1388-M1391 WeakPolarHBondContact O-CB 3.42Å; N1388-M1391 PolarHBondContact O-N 3.4Å; N1388-M1391 VanDerWaalsContact O-N 3.15Å |
| 1389 | L | 88.5 | Confident | 84.5 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -62.6 | -21.7 | 178.5 | -68 | 175.7 | 0 | 0 | 0 | 112.7 | F1387 M1391 I1392 A1402 A1403 G1404 V1406 V1427 V1430 | F1387-L1389 HydrophobicContact CE1-CD2 4.48Å; L1389-M1391 PolarHBondContact O-N 2.97Å; L1389-I1392 VanDerWaalsContact O-CG1 3.27Å; L1389-I1392 WeakPolarHBondContact O-CG1 3.46Å; L1389-I1392 PolarHBondContact O-N 2.87Å; L1389-A1402 CarbonylContact C-O 3.48Å; L1389-A1402 HydrophobicContact CB-CB 4.08Å; L1389-A1403 WeakPolarHBondContact CD1-O 3.46Å; L1389-G1404 PolarHBondContact N-O 3.11Å; L1389-V1406 HydrophobicContact CD1-CG2 4.4Å; L1389-V1406 HydrophobicContact CD2-CG2 3.78Å; L1389-V1406 HydrophobicContact CG-CG2 4.14Å; L1389-V1427 HydrophobicContact CD1-CG1 4.06Å; L1389-V1430 HydrophobicContact CD1-CG2 4.14Å |
| 1390 | A | 87.2 | Confident | 83.6 | Confident | 34 Ų | 34 | 54.9 Ų | 54.9 | 28% | 0.281 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -65.1 | -9.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N1388 I1392 N1393 A1402 | N1388-A1390 PolarHBondContact O-N 3.14Å; N1388-A1390 VanDerWaalsContact O-N 3.16Å; N1388-A1390 WeakPolarHBondContact OD1-CB 3.36Å; N1388-A1390 PolarHBondContact OD1-N 3.3Å; N1388-A1390 VanDerWaalsContact OD1-N 3.12Å; A1390-I1392 PolarHBondContact O-N 3.2Å; A1390-N1393 WeakPolarHBondContact CA-ND2 3.36Å; A1390-N1393 WeakPolarHBondContact O-CB 3.4Å; A1390-N1393 PolarHBondContact O-N 2.79Å; A1390-N1393 PolarHBondContact O-ND2 3.48Å; A1390-A1402 VanDerWaalsContact CA-O 3.24Å; A1390-A1402 WeakPolarHBondContact CA-O 3.33Å; A1390-A1402 PolarHBondContact N-O 2.92Å |
| 1391 | M | 87.2 | Confident | 83 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 15% | 0.148 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -60 | -32.3 | 175.7 | -168.6 | -172.7 | 73.8 | 0 | 0 | 113.1 | L1331 V1333 L1357 N1360 F1387 N1388 L1389 P1394 | L1331-M1391 WeakPolarHBondContact CD1-O 3.45Å; V1333-M1391 HydrophobicContact CG1-SD 4.5Å; L1357-M1391 HydrophobicContact CD1-SD 3.74Å; N1360-M1391 HydrophobicContact CB-CB 4.19Å; N1360-M1391 HydrophobicContact CB-CG 4.19Å; N1360-M1391 HydrophobicContact CB-SD 4.16Å; F1387-M1391 HydrophobicContact CE2-CE 4.48Å; F1387-M1391 HydrophobicContact CZ-CE 4.06Å; N1388-M1391 WeakPolarHBondContact O-CB 3.42Å; N1388-M1391 PolarHBondContact O-N 3.4Å; N1388-M1391 VanDerWaalsContact O-N 3.15Å; L1389-M1391 PolarHBondContact O-N 2.97Å; M1391-P1394 WeakPolarHBondContact O-CD 3.19Å |
| 1392 | I | 85.4 | Confident | 82.6 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 29% | 0.292 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -88.1 | -0.3 | -178.1 | 55.3 | 165.6 | 0 | 0 | 0 | 114 | L1389 A1390 P1394 I1395 F1396 A1402 | L1389-I1392 VanDerWaalsContact O-CG1 3.27Å; L1389-I1392 WeakPolarHBondContact O-CG1 3.46Å; L1389-I1392 PolarHBondContact O-N 2.87Å; A1390-I1392 PolarHBondContact O-N 3.2Å; I1392-P1394 VanDerWaalsContact C-N 3.26Å; I1392-P1394 VanDerWaalsContact O-N 3.14Å; I1392-I1395 HydrophobicContact CB-CG1 4.36Å; I1392-I1395 WeakPolarHBondContact O-CG1 3.1Å; I1392-I1395 PolarHBondContact O-N 2.94Å; I1392-I1395 VanDerWaalsContact O-N 3.11Å; I1392-F1396 HydrophobicContact CD1-CD2 4.49Å; I1392-F1396 HydrophobicContact CD1-CE2 3.58Å; I1392-F1396 HydrophobicContact CD1-CZ 4.16Å; I1392-F1396 HydrophobicContact CG1-CD2 4.34Å; I1392-F1396 HydrophobicContact CG1-CE2 3.83Å; I1392-A1402 HydrophobicContact CD1-CB 4.2Å; I1392-A1402 HydrophobicContact CG1-CB 4.24Å |
| 1393 | N | 81.5 | Confident | 82.5 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 31% | 0.305 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.2 | 175 | -66.4 | -15.7 | 0 | 0 | 0 | 116.2 | A1390 I1395 A1402 | A1390-N1393 WeakPolarHBondContact CA-ND2 3.36Å; A1390-N1393 WeakPolarHBondContact O-CB 3.4Å; A1390-N1393 PolarHBondContact O-N 2.79Å; A1390-N1393 PolarHBondContact O-ND2 3.48Å; N1393-I1395 VanDerWaalsContact C-N 3.32Å; N1393-I1395 PolarHBondContact O-N 3.38Å; N1393-A1402 PolarHBondContact ND2-O 3.26Å; N1393-A1402 PolarHBondContact OD1-N 3.41Å; N1393-A1402 PolarHBondContact OD1-O 2.81Å |
| 1394 | P | 80.1 | Confident | 82.3 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 41% | 0.409 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -22.5 | 170.9 | -24.8 | 36.9 | 0 | 0 | 0 | 115.7 | L1331 M1391 I1392 | L1331-P1394 HydrophobicContact CD1-CB 4.23Å; L1331-P1394 HydrophobicContact CD1-CG 4.16Å; M1391-P1394 WeakPolarHBondContact O-CD 3.19Å; I1392-P1394 VanDerWaalsContact C-N 3.26Å; I1392-P1394 VanDerWaalsContact O-N 3.14Å |
| 1395 | I | 77.9 | Confident | 82.4 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 26% | 0.256 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -13.8 | 178.9 | 57.9 | 162.8 | 0 | 0 | 0 | 114 | V1326 A1329 L1331 I1392 N1393 | V1326-I1395 HydrophobicContact CB-CB 4.45Å; V1326-I1395 HydrophobicContact CB-CG2 3.94Å; V1326-I1395 HydrophobicContact CG1-CD1 4.42Å; V1326-I1395 HydrophobicContact CG2-CG2 4.3Å; A1329-I1395 HydrophobicContact CB-CB 4.37Å; A1329-I1395 HydrophobicContact CB-CG2 4.08Å; L1331-I1395 HydrophobicContact CB-CG2 3.69Å; L1331-I1395 HydrophobicContact CD1-CG2 4.29Å; L1331-I1395 HydrophobicContact CD2-CD1 4.34Å; L1331-I1395 HydrophobicContact CG-CG2 4.38Å; I1392-I1395 HydrophobicContact CB-CG1 4.36Å; I1392-I1395 WeakPolarHBondContact O-CG1 3.1Å; I1392-I1395 PolarHBondContact O-N 2.94Å; I1392-I1395 VanDerWaalsContact O-N 3.11Å; N1393-I1395 VanDerWaalsContact C-N 3.32Å; N1393-I1395 PolarHBondContact O-N 3.38Å |
| 1396 | F | 71.9 | Confident | 82.4 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -66.3 | 145.8 | 169.7 | -88.9 | -59.4 | 0 | 0 | 0 | 110.9 | I1392 E1400 A1402 | I1392-F1396 HydrophobicContact CD1-CD2 4.49Å; I1392-F1396 HydrophobicContact CD1-CE2 3.58Å; I1392-F1396 HydrophobicContact CD1-CZ 4.16Å; I1392-F1396 HydrophobicContact CG1-CD2 4.34Å; I1392-F1396 HydrophobicContact CG1-CE2 3.83Å; F1396-E1400 HydrophobicContact CB-CB 3.93Å; F1396-E1400 HydrophobicContact CD1-CB 3.69Å; F1396-E1400 HydrophobicContact CG-CB 4.03Å; F1396-A1402 HydrophobicContact CE2-CB 3.7Å; F1396-A1402 HydrophobicContact CZ-CB 4.37Å |
| 1397 | T | 62.5 | Low | 82.9 | Confident | 52 Ų | 52 | 47.2 Ų | 47.2 | 32% | 0.319 | 26% | 0.262 | S | S | . | . | trans | -67.5 | 153.2 | 173.9 | 72.9 | 0 | 0 | 0 | 0 | 109.2 | R38 G1399 E1400 | R38-T1397 WeakPolarHBondContact CG-OG1 3.37Å; T1397-G1399 PolarHBondContact O-N 3.3Å; T1397-E1400 WeakPolarHBondContact CB-OE2 2.98Å; T1397-E1400 PolarHBondContact N-OE2 2.81Å; T1397-E1400 WeakPolarHBondContact O-CB 3.11Å; T1397-E1400 PolarHBondContact O-N 3.27Å; T1397-E1400 WeakPolarHBondContact OG1-CG 3.38Å; T1397-E1400 PolarHBondContact OG1-OE2 2.61Å | ||
| 1398 | R | 58.9 | Low | 83 | Confident | 163 Ų | 163 | 44.7 Ų | 44.7 | 62% | 0.615 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 115 | -165.5 | -124 | -165.4 | -166 | -164.2 | 5.3 | 112.1 | D36 R38 | D36-R1398 VanDerWaalsContact CB-NH1 3.3Å; D36-R1398 WeakPolarHBondContact OD2-CD 3.39Å; D36-R1398 IonicContact OD2-CZ 2.7Å; D36-R1398 IonicContact OD2-NE 3.52Å; D36-R1398 IonicContact OD2-NH1 2.68Å; D36-R1398 PolarHBondContact OD2-NH1 3.48Å; R38-R1398 HydrophobicContact CB-CB 3.73Å; R38-R1398 WeakPolarHBondContact CB-O 3.32Å; R38-R1398 VanDerWaalsContact CD-O 3.24Å; R38-R1398 WeakPolarHBondContact CD-O 3.42Å; R38-R1398 WeakPolarHBondContact CG-O 3.47Å; R38-R1398 PolarHBondContact NH1-O 3.33Å |
| 1399 | G | 61.7 | Low | 83.2 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 58% | 0.577 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 12.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R38 T1397 | R38-G1399 PolarHBondContact NH1-O 3.01Å; T1397-G1399 PolarHBondContact O-N 3.3Å |
| 1400 | E | 74.9 | Confident | 83.5 | Confident | 23 Ų | 23 | 47 Ų | 47 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | trans | -84.2 | 154.2 | 142 | -63.1 | -179.9 | 120.6 | 0 | 0 | 108 | F1396 T1397 D1433 G1434 N1435 | F1396-E1400 HydrophobicContact CB-CB 3.93Å; F1396-E1400 HydrophobicContact CD1-CB 3.69Å; F1396-E1400 HydrophobicContact CG-CB 4.03Å; T1397-E1400 WeakPolarHBondContact CB-OE2 2.98Å; T1397-E1400 PolarHBondContact N-OE2 2.81Å; T1397-E1400 WeakPolarHBondContact O-CB 3.11Å; T1397-E1400 PolarHBondContact O-N 3.27Å; T1397-E1400 WeakPolarHBondContact OG1-CG 3.38Å; T1397-E1400 PolarHBondContact OG1-OE2 2.61Å; E1400-D1433 CarbonylContact C-O 3.55Å; E1400-D1433 WeakPolarHBondContact CA-O 3.32Å; E1400-D1433 VanDerWaalsContact CB-O 3.28Å; E1400-D1433 WeakPolarHBondContact CB-O 3.08Å; E1400-G1434 WeakPolarHBondContact OE1-CA 3.5Å; E1400-N1435 PolarHBondContact OE1-N 3.17Å; E1400-N1435 PolarHBondContact OE1-ND2 3.22Å; E1400-N1435 VanDerWaalsContact OE1-ND2 3.1Å | ||
| 1401 | K | 82 | Confident | 84 | Confident | 52 Ų | 52 | 53 Ų | 53 | 23% | 0.226 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 148 | 177.5 | 84.9 | -171.5 | -165.6 | -65.2 | 0 | 110.9 | D1431 I1432 D1433 | K1401-D1431 VanDerWaalsContact CE-CG 3.44Å; K1401-D1431 WeakPolarHBondContact CE-OD2 3.35Å; K1401-D1431 IonicContact NZ-OD1 2.76Å; K1401-D1431 PolarHBondContact NZ-OD1 3.49Å; K1401-D1431 IonicContact NZ-OD2 3.03Å; K1401-D1431 PolarHBondContact NZ-OD2 3.09Å; K1401-D1431 VanDerWaalsContact NZ-OD2 3.09Å; K1401-I1432 CarbonylContact O-C 3.45Å; K1401-I1432 WeakPolarHBondContact O-CA 3.43Å; K1401-D1433 VanDerWaalsContact CD-OD2 3.26Å; K1401-D1433 WeakPolarHBondContact CD-OD2 3.34Å; K1401-D1433 WeakPolarHBondContact CE-OD2 3.43Å; K1401-D1433 HydrophobicContact CG-CB 4.02Å; K1401-D1433 PolarHBondContact N-O 3.33Å; K1401-D1433 IonicContact NZ-OD1 3.12Å; K1401-D1433 PolarHBondContact NZ-OD1 2.97Å; K1401-D1433 IonicContact NZ-OD2 3.64Å; K1401-D1433 PolarHBondContact NZ-OD2 2.89Å; K1401-D1433 PolarHBondContact O-N 2.84Å |
| 1402 | A | 86.8 | Confident | 84.2 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 138.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1389 A1390 I1392 N1393 F1396 | L1389-A1402 CarbonylContact C-O 3.48Å; L1389-A1402 HydrophobicContact CB-CB 4.08Å; A1390-A1402 VanDerWaalsContact CA-O 3.24Å; A1390-A1402 WeakPolarHBondContact CA-O 3.33Å; A1390-A1402 PolarHBondContact N-O 2.92Å; I1392-A1402 HydrophobicContact CD1-CB 4.2Å; I1392-A1402 HydrophobicContact CG1-CB 4.24Å; N1393-A1402 PolarHBondContact ND2-O 3.26Å; N1393-A1402 PolarHBondContact OD1-N 3.41Å; N1393-A1402 PolarHBondContact OD1-O 2.81Å; F1396-A1402 HydrophobicContact CE2-CB 3.7Å; F1396-A1402 HydrophobicContact CZ-CB 4.37Å |
| 1403 | A | 91 | Very high | 84.6 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 21% | 0.207 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 162.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1389 V1430 D1431 | L1389-A1403 WeakPolarHBondContact CD1-O 3.46Å; A1403-V1430 WeakPolarHBondContact O-CA 3.42Å; A1403-D1431 HydrophobicContact CB-CB 4.15Å; A1403-D1431 PolarHBondContact N-O 3.21Å; A1403-D1431 PolarHBondContact O-N 2.82Å |
| 1404 | G | 93 | Very high | 85 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.3 | 171.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1389 T1428 G1429 | L1389-G1404 PolarHBondContact N-O 3.11Å; G1404-T1428 WeakPolarHBondContact CA-O 3.23Å; G1404-G1429 WeakPolarHBondContact CA-O 3.4Å |
| 1405 | M | 94.7 | Very high | 85.4 | Confident | 90 Ų | 90 | 48.2 Ų | 48.2 | 44% | 0.443 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.4 | -177 | -62.2 | -174.6 | -171.1 | 0 | 0 | 110.8 | N1386 F1387 V1427 T1428 | N1386-M1405 HydrophobicContact CB-SD 4.15Å; F1387-M1405 WeakPolarHBondContact O-CA 3.12Å; M1405-V1427 WeakPolarHBondContact O-CA 3.37Å; M1405-T1428 PolarHBondContact N-O 2.78Å; M1405-T1428 PolarHBondContact O-N 2.7Å |
| 1406 | V | 93.9 | Very high | 85.6 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 127.2 | 164.4 | -176.7 | 0 | 0 | 0 | 0 | 108 | I1384 F1387 L1389 V1427 | I1384-V1406 HydrophobicContact CD1-CG1 3.9Å; I1384-V1406 HydrophobicContact CG2-CB 4.42Å; I1384-V1406 HydrophobicContact CG2-CG1 4.15Å; I1384-V1406 WeakPolarHBondContact CG2-O 3.16Å; F1387-V1406 HydrophobicContact CB-CB 4.29Å; F1387-V1406 HydrophobicContact CD1-CB 4.35Å; F1387-V1406 HydrophobicContact CD1-CG2 4.42Å; F1387-V1406 PolarHBondContact N-O 2.91Å; F1387-V1406 PolarHBondContact O-N 2.68Å; L1389-V1406 HydrophobicContact CD1-CG2 4.4Å; L1389-V1406 HydrophobicContact CD2-CG2 3.78Å; L1389-V1406 HydrophobicContact CG-CG2 4.14Å; V1406-V1427 HydrophobicContact CG2-CG1 4Å; V1406-V1427 HydrophobicContact CG2-CG2 4.4Å |
| 1407 | S | 96.2 | Very high | 85.9 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 137.1 | 170.4 | -74.5 | 0 | 0 | 0 | 0 | 109.5 | I1384 N1386 Q1426 | I1384-S1407 CarbonylContact O-C 3.59Å; I1384-S1407 WeakPolarHBondContact O-CA 3.42Å; N1386-S1407 PolarHBondContact N-OG 2.94Å; N1386-S1407 PolarHBondContact OD1-OG 2.82Å; S1407-Q1426 PolarHBondContact N-O 2.96Å; S1407-Q1426 PolarHBondContact O-N 3.03Å |
| 1408 | A | 94.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 143.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110 | N1383 I1384 L1410 Q1424 L1425 | N1383-A1408 CarbonylContact C-O 3.49Å; N1383-A1408 VanDerWaalsContact CA-O 3.27Å; N1383-A1408 WeakPolarHBondContact CA-O 3.06Å; I1384-A1408 HydrophobicContact CB-CB 4.11Å; I1384-A1408 HydrophobicContact CD1-CB 3.98Å; I1384-A1408 HydrophobicContact CG1-CB 3.99Å; I1384-A1408 PolarHBondContact N-O 3.32Å; I1384-A1408 PolarHBondContact O-N 3.21Å; A1408-L1410 HydrophobicContact CB-CD1 4.21Å; A1408-L1410 HydrophobicContact CB-CG 4.02Å; A1408-Q1424 CarbonylContact C-O 3.53Å; A1408-Q1424 VanDerWaalsContact CA-O 3.28Å; A1408-Q1424 WeakPolarHBondContact CA-O 3.37Å; A1408-L1425 HydrophobicContact CB-CB 4.02Å; A1408-L1425 HydrophobicContact CB-CD1 4.37Å; A1408-L1425 HydrophobicContact CB-CG 4.11Å |
| 1409 | N | 96.5 | Very high | 88.2 | Confident | 107 Ų | 107 | 48.5 Ų | 48.5 | 57% | 0.572 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 89.4 | 170.3 | -64.9 | -82.6 | 0 | 0 | 0 | 106.3 | Q1424 | N1409-Q1424 PolarHBondContact N-O 2.74Å; N1409-Q1424 PolarHBondContact O-N 3.26Å |
| 1410 | L | 96.2 | Very high | 89.7 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 144.7 | -174.7 | -56.7 | 174.1 | 0 | 0 | 0 | 110.1 | N1381 V1382 A1408 L1421 F1422 F1450 | N1381-L1410 VanDerWaalsContact CA-O 3.27Å; N1381-L1410 WeakPolarHBondContact CA-O 3.18Å; N1381-L1410 PolarHBondContact ND2-O 2.99Å; V1382-L1410 HydrophobicContact CB-CB 4.33Å; V1382-L1410 PolarHBondContact N-O 3.44Å; V1382-L1410 WeakPolarHBondContact O-CB 3.28Å; V1382-L1410 PolarHBondContact O-N 2.71Å; A1408-L1410 HydrophobicContact CB-CD1 4.21Å; A1408-L1410 HydrophobicContact CB-CG 4.02Å; L1410-L1421 HydrophobicContact CB-CD1 3.94Å; L1410-L1421 HydrophobicContact CD1-CD1 4.26Å; L1410-L1421 HydrophobicContact CD1-CD2 4.49Å; L1410-L1421 HydrophobicContact CD2-CD1 4.41Å; L1410-L1421 HydrophobicContact CD2-CG 4.47Å; L1410-L1421 HydrophobicContact CG-CD1 4.42Å; L1410-F1422 CarbonylContact C-O 3.47Å; L1410-F1422 WeakPolarHBondContact CA-O 3.38Å; L1410-F1450 HydrophobicContact CD2-CD2 3.53Å; L1410-F1450 HydrophobicContact CD2-CE2 3.77Å; L1410-F1450 HydrophobicContact CD2-CG 4.5Å |
| 1411 | R | 96.8 | Very high | 90.5 | Very high | 160 Ų | 160 | 49.7 Ų | 49.7 | 60% | 0.604 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.6 | 169.5 | 169.6 | 175 | 173.8 | 142.3 | 0.6 | 108.2 | G1380 F1422 | G1380-R1411 CarbonylContact O-C 3.52Å; G1380-R1411 WeakPolarHBondContact O-CA 3.23Å; R1411-F1422 HydrophobicContact CB-CB 4.21Å; R1411-F1422 PolarHBondContact N-O 2.83Å; R1411-F1422 PolarHBondContact O-N 2.95Å |
| 1412 | L | 92.5 | Very high | 91.2 | Very high | 28 Ų | 28 | 50 Ų | 50 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 159.4 | 173 | -63.9 | 165.1 | 0 | 0 | 0 | 111.1 | V1367 L1378 G1379 G1380 V1382 Q1420 L1421 | V1367-L1412 HydrophobicContact CB-CD1 4.27Å; V1367-L1412 HydrophobicContact CG1-CD1 3.79Å; V1367-L1412 HydrophobicContact CG2-CD1 3.71Å; L1378-L1412 HydrophobicContact CD1-CD1 4.39Å; L1378-L1412 HydrophobicContact CD2-CB 4.22Å; L1378-L1412 HydrophobicContact CD2-CD1 4.39Å; L1378-L1412 HydrophobicContact CD2-CD2 4.14Å; L1378-L1412 HydrophobicContact CD2-CG 4.49Å; L1378-L1412 HydrophobicContact CG-CB 4.02Å; L1378-L1412 HydrophobicContact CG-CD1 4.36Å; G1379-L1412 WeakPolarHBondContact CA-O 3.08Å; G1380-L1412 PolarHBondContact O-N 3.43Å; V1382-L1412 HydrophobicContact CG2-CD1 4.38Å; L1412-Q1420 CarbonylContact C-O 3.31Å; L1412-Q1420 WeakPolarHBondContact CA-O 3.31Å; L1412-L1421 HydrophobicContact CD2-CD1 3.67Å; L1412-L1421 HydrophobicContact CG-CD1 4.5Å |
| 1413 | G | 92.2 | Very high | 91.6 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | -166.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1378 Q1420 | L1378-G1413 CarbonylContact O-C 3.53Å; L1378-G1413 WeakPolarHBondContact O-CA 3.33Å; G1413-Q1420 PolarHBondContact N-O 3.02Å; G1413-Q1420 PolarHBondContact O-N 3.46Å |
| 1414 | G | 90.5 | Very high | 91.9 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.5 | -137 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1377 L1378 | N1377-G1414 CarbonylContact C-O 3.57Å; N1377-G1414 VanDerWaalsContact CA-O 3.24Å; N1377-G1414 WeakPolarHBondContact CA-O 3.37Å; L1378-G1414 PolarHBondContact N-O 2.87Å |
| 1415 | D | 88.8 | Confident | 92 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 24% | 0.235 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -138.7 | 178.8 | 175.1 | 63.8 | 71.7 | 0 | 0 | 0 | 112.1 | R1375 R1376 Q1417 S1418 P1419 | R1375-D1415 WeakPolarHBondContact O-CB 2.95Å; R1376-D1415 CarbonylContact O-C 3.24Å; R1376-D1415 VanDerWaalsContact O-CA 3.22Å; R1376-D1415 WeakPolarHBondContact O-CA 3.34Å; R1376-D1415 WeakPolarHBondContact O-CB 3.28Å; D1415-Q1417 VanDerWaalsContact C-N 3.31Å; D1415-Q1417 PolarHBondContact O-N 2.89Å; D1415-Q1417 WeakPolarHBondContact OD1-CA 3.18Å; D1415-Q1417 WeakPolarHBondContact OD1-CB 3.41Å; D1415-Q1417 PolarHBondContact OD1-N 2.89Å; D1415-S1418 PolarHBondContact N-O 3.27Å; D1415-S1418 CarbonylContact O-C 3.59Å; D1415-S1418 PolarHBondContact O-N 2.75Å; D1415-S1418 PolarHBondContact OD1-N 2.66Å; D1415-P1419 WeakPolarHBondContact O-CA 3.3Å |
| 1416 | V | 81.8 | Confident | 92 | Very high | 70 Ų | 70 | 54.4 Ų | 54.4 | 42% | 0.424 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -69.5 | -23.2 | -177.1 | 170.6 | 0 | 0 | 0 | 0 | 113.4 | V1369 R1376 | V1369-V1416 HydrophobicContact CB-CG2 4.49Å; V1369-V1416 HydrophobicContact CG1-CG2 3.79Å; V1369-V1416 HydrophobicContact CG2-CG2 3.79Å; R1376-V1416 HydrophobicContact CB-CB 3.82Å; R1376-V1416 HydrophobicContact CB-CG2 3.87Å; R1376-V1416 PolarHBondContact O-N 2.93Å |
| 1417 | Q | 79 | Confident | 92 | Very high | 156 Ų | 156 | 54.4 Ų | 54.4 | 73% | 0.729 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -88.4 | -34.7 | 173.5 | -64.6 | -177.8 | -60.4 | 0 | 0 | 111.5 | D1415 P1419 | D1415-Q1417 VanDerWaalsContact C-N 3.31Å; D1415-Q1417 PolarHBondContact O-N 2.89Å; D1415-Q1417 WeakPolarHBondContact OD1-CA 3.18Å; D1415-Q1417 WeakPolarHBondContact OD1-CB 3.41Å; D1415-Q1417 PolarHBondContact OD1-N 2.89Å; Q1417-P1419 VanDerWaalsContact O-CD 3.3Å; Q1417-P1419 WeakPolarHBondContact O-CD 3.47Å |
| 1418 | S | 81.4 | Confident | 91.8 | Very high | 46 Ų | 46 | 55.6 Ų | 55.6 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -119.4 | 68.1 | 178.6 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | D1415 Q1420 | D1415-S1418 PolarHBondContact N-O 3.27Å; D1415-S1418 CarbonylContact O-C 3.59Å; D1415-S1418 PolarHBondContact O-N 2.75Å; D1415-S1418 PolarHBondContact OD1-N 2.66Å; S1418-Q1420 PolarHBondContact O-N 2.86Å |
| 1419 | P | 88.1 | Confident | 91.7 | Very high | 48 Ų | 48 | 56.9 Ų | 56.9 | 31% | 0.312 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 122.9 | -174.7 | 27.3 | -35.1 | 0 | 0 | 0 | 111.3 | L1378 D1415 Q1417 W1476 | L1378-P1419 HydrophobicContact CD2-CB 3.71Å; D1415-P1419 WeakPolarHBondContact O-CA 3.3Å; Q1417-P1419 VanDerWaalsContact O-CD 3.3Å; Q1417-P1419 WeakPolarHBondContact O-CD 3.47Å; P1419-W1476 PolarHBondContact O-NE1 2.82Å |
| 1420 | Q | 92 | Very high | 91.5 | Very high | 69 Ų | 69 | 52.1 Ų | 52.1 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 139.8 | 172.7 | -64.1 | 173.6 | -2.6 | 0 | 0 | 110.3 | L1412 G1413 S1418 F1422 G1452 M1453 | L1412-Q1420 CarbonylContact C-O 3.31Å; L1412-Q1420 WeakPolarHBondContact CA-O 3.31Å; G1413-Q1420 PolarHBondContact N-O 3.02Å; G1413-Q1420 PolarHBondContact O-N 3.46Å; S1418-Q1420 PolarHBondContact O-N 2.86Å; Q1420-F1422 HydrophobicContact CB-CD2 4.36Å; Q1420-F1422 HydrophobicContact CB-CE2 3.61Å; Q1420-F1422 HydrophobicContact CB-CZ 4.19Å; Q1420-G1452 CarbonylContact C-O 3.44Å; Q1420-G1452 WeakPolarHBondContact CA-O 3.15Å; Q1420-M1453 HydrophobicContact CG-CG 3.76Å |
| 1421 | L | 92.9 | Very high | 91.2 | Very high | 35 Ų | 35 | 52.4 Ų | 52.4 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.3 | 177.1 | -166.4 | 56.9 | 0 | 0 | 0 | 109 | L1410 L1412 F1450 N1451 G1452 W1476 | L1410-L1421 HydrophobicContact CB-CD1 3.94Å; L1410-L1421 HydrophobicContact CD1-CD1 4.26Å; L1410-L1421 HydrophobicContact CD1-CD2 4.49Å; L1410-L1421 HydrophobicContact CD2-CD1 4.41Å; L1410-L1421 HydrophobicContact CD2-CG 4.47Å; L1410-L1421 HydrophobicContact CG-CD1 4.42Å; L1412-L1421 HydrophobicContact CD2-CD1 3.67Å; L1412-L1421 HydrophobicContact CG-CD1 4.5Å; L1421-F1450 HydrophobicContact CB-CB 3.93Å; L1421-F1450 HydrophobicContact CB-CD1 4.14Å; L1421-F1450 HydrophobicContact CB-CG 4.19Å; L1421-F1450 HydrophobicContact CD2-CB 4.32Å; L1421-F1450 HydrophobicContact CD2-CD1 3.43Å; L1421-F1450 VanDerWaalsContact CD2-CD1 3.43Å; L1421-F1450 HydrophobicContact CD2-CD2 4.08Å; L1421-F1450 HydrophobicContact CD2-CE1 3.61Å; L1421-F1450 HydrophobicContact CD2-CE2 4.22Å; L1421-F1450 HydrophobicContact CD2-CG 3.68Å; L1421-F1450 HydrophobicContact CD2-CZ 4Å; L1421-F1450 HydrophobicContact CG-CB 3.76Å; L1421-F1450 HydrophobicContact CG-CD1 3.85Å; L1421-F1450 HydrophobicContact CG-CD2 4.19Å; L1421-F1450 HydrophobicContact CG-CE1 4.49Å; L1421-F1450 HydrophobicContact CG-CG 3.67Å; L1421-F1450 CarbonylContact O-C 3.39Å; L1421-F1450 VanDerWaalsContact O-C 3.32Å; L1421-F1450 WeakPolarHBondContact O-CB 3.45Å; L1421-N1451 PolarHBondContact O-N 3.37Å; L1421-G1452 PolarHBondContact N-O 2.9Å; L1421-G1452 PolarHBondContact O-N 2.75Å; L1421-W1476 HydrophobicContact CB-CZ2 4.25Å |
| 1422 | F | 96.4 | Very high | 90.6 | Very high | 58 Ų | 58 | 47 Ų | 47 | 25% | 0.254 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 153.2 | -178.2 | -64.5 | -85.5 | 0 | 0 | 0 | 110.3 | L1410 R1411 Q1420 F1450 G1452 | L1410-F1422 CarbonylContact C-O 3.47Å; L1410-F1422 WeakPolarHBondContact CA-O 3.38Å; R1411-F1422 HydrophobicContact CB-CB 4.21Å; R1411-F1422 PolarHBondContact N-O 2.83Å; R1411-F1422 PolarHBondContact O-N 2.95Å; Q1420-F1422 HydrophobicContact CB-CD2 4.36Å; Q1420-F1422 HydrophobicContact CB-CE2 3.61Å; Q1420-F1422 HydrophobicContact CB-CZ 4.19Å; F1422-F1450 VanDerWaalsContact CA-O 3.32Å; F1422-F1450 WeakPolarHBondContact CA-O 3.49Å; F1422-G1452 VanDerWaalsContact CE1-N 3.27Å |
| 1423 | G | 96 | Very high | 89.8 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 97 | -148.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1449 F1450 | G1423-N1449 CarbonylContact O-C 3.58Å; G1423-N1449 WeakPolarHBondContact O-CA 3.41Å; G1423-F1450 PolarHBondContact N-O 3.43Å; G1423-F1450 VanDerWaalsContact N-O 3.17Å; G1423-F1450 PolarHBondContact O-N 2.87Å |
| 1424 | Q | 95.5 | Very high | 88.7 | Confident | 62 Ų | 62 | 48.2 Ų | 48.2 | 29% | 0.29 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 136.6 | -167 | -163.5 | 179.5 | 44.6 | 0 | 0 | 113 | A1408 N1409 Q1426 V1448 N1449 | A1408-Q1424 CarbonylContact C-O 3.53Å; A1408-Q1424 VanDerWaalsContact CA-O 3.28Å; A1408-Q1424 WeakPolarHBondContact CA-O 3.37Å; N1409-Q1424 PolarHBondContact N-O 2.74Å; N1409-Q1424 PolarHBondContact O-N 3.26Å; Q1424-Q1426 HydrophobicContact CG-CG 4.05Å; Q1424-V1448 WeakPolarHBondContact CA-O 3.46Å; Q1424-N1449 WeakPolarHBondContact CG-OD1 3.5Å; Q1424-N1449 PolarHBondContact NE2-OD1 3.01Å |
| 1425 | L | 95.3 | Very high | 87.3 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.2 | 158.9 | -178.1 | 150.1 | 0 | 0 | 0 | 108.4 | A1408 V1427 A1447 V1448 F1450 | A1408-L1425 HydrophobicContact CB-CB 4.02Å; A1408-L1425 HydrophobicContact CB-CD1 4.37Å; A1408-L1425 HydrophobicContact CB-CG 4.11Å; L1425-V1427 HydrophobicContact CD2-CG2 3.79Å; L1425-A1447 CarbonylContact O-C 3.59Å; L1425-A1447 WeakPolarHBondContact O-CA 3.2Å; L1425-V1448 PolarHBondContact N-O 3.12Å; L1425-V1448 PolarHBondContact O-N 2.77Å; L1425-F1450 HydrophobicContact CB-CE2 3.86Å |
| 1426 | Q | 95.1 | Very high | 86.1 | Confident | 82 Ų | 82 | 56.2 Ų | 56.2 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.2 | 172.1 | -61.9 | -175.9 | 2.5 | 0 | 0 | 109.2 | S1407 Q1424 T1428 L1446 | S1407-Q1426 PolarHBondContact N-O 2.96Å; S1407-Q1426 PolarHBondContact O-N 3.03Å; Q1424-Q1426 HydrophobicContact CG-CG 4.05Å; Q1426-T1428 HydrophobicContact CB-CG2 4.18Å; Q1426-L1446 CarbonylContact C-O 3.52Å; Q1426-L1446 WeakPolarHBondContact CA-O 3.23Å |
| 1427 | V | 93.9 | Very high | 85.5 | Confident | 21 Ų | 21 | 55 Ų | 55 | 13% | 0.127 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 115.7 | 162.7 | -158.7 | 0 | 0 | 0 | 0 | 107.5 | L1389 M1405 V1406 L1425 V1430 Q1445 L1446 | L1389-V1427 HydrophobicContact CD1-CG1 4.06Å; M1405-V1427 WeakPolarHBondContact O-CA 3.37Å; V1406-V1427 HydrophobicContact CG2-CG1 4Å; V1406-V1427 HydrophobicContact CG2-CG2 4.4Å; L1425-V1427 HydrophobicContact CD2-CG2 3.79Å; V1427-V1430 HydrophobicContact CB-CB 4.43Å; V1427-V1430 HydrophobicContact CB-CG1 4.35Å; V1427-V1430 HydrophobicContact CG1-CB 3.71Å; V1427-V1430 HydrophobicContact CG1-CG1 4.15Å; V1427-V1430 HydrophobicContact CG1-CG2 4.24Å; V1427-Q1445 WeakPolarHBondContact O-CA 3.49Å; V1427-L1446 PolarHBondContact N-O 2.85Å; V1427-L1446 PolarHBondContact O-N 2.82Å; V1427-L1446 VanDerWaalsContact O-N 3.07Å |
| 1428 | T | 92.7 | Very high | 85.2 | Confident | 47 Ų | 47 | 49.9 Ų | 49.9 | 29% | 0.288 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.6 | -172.2 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | G1404 M1405 Q1426 V1430 | G1404-T1428 WeakPolarHBondContact CA-O 3.23Å; M1405-T1428 PolarHBondContact N-O 2.78Å; M1405-T1428 PolarHBondContact O-N 2.7Å; Q1426-T1428 HydrophobicContact CB-CG2 4.18Å; T1428-V1430 VanDerWaalsContact C-N 3.25Å; T1428-V1430 PolarHBondContact O-N 3.29Å |
| 1429 | G | 93.3 | Very high | 85 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 64.8 | 29.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | G1404 D1431 S1444 | G1404-G1429 WeakPolarHBondContact CA-O 3.4Å; G1429-D1431 PolarHBondContact O-N 3.14Å; G1429-S1444 WeakPolarHBondContact CA-O 3.44Å; G1429-S1444 PolarHBondContact N-O 2.82Å |
| 1430 | V | 91.9 | Very high | 84.4 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 129.2 | 178.9 | 53.2 | 0 | 0 | 0 | 0 | 110.4 | L1389 A1403 V1427 T1428 I1432 M1441 P1443 S1444 L1446 | L1389-V1430 HydrophobicContact CD1-CG2 4.14Å; A1403-V1430 WeakPolarHBondContact O-CA 3.42Å; V1427-V1430 HydrophobicContact CB-CB 4.43Å; V1427-V1430 HydrophobicContact CB-CG1 4.35Å; V1427-V1430 HydrophobicContact CG1-CB 3.71Å; V1427-V1430 HydrophobicContact CG1-CG1 4.15Å; V1427-V1430 HydrophobicContact CG1-CG2 4.24Å; T1428-V1430 VanDerWaalsContact C-N 3.25Å; T1428-V1430 PolarHBondContact O-N 3.29Å; V1430-I1432 HydrophobicContact CG2-CD1 3.88Å; V1430-I1432 HydrophobicContact CG2-CG1 3.94Å; V1430-M1441 HydrophobicContact CB-CE 4.42Å; V1430-M1441 HydrophobicContact CG1-CE 3.9Å; V1430-M1441 HydrophobicContact CG2-CE 4.05Å; V1430-P1443 WeakPolarHBondContact O-CA 3.2Å; V1430-S1444 PolarHBondContact N-O 3.27Å; V1430-S1444 VanDerWaalsContact N-O 3.12Å; V1430-S1444 PolarHBondContact O-N 2.83Å; V1430-L1446 HydrophobicContact CG1-CG 4.42Å |
| 1431 | D | 89.1 | Confident | 84.1 | Confident | 25 Ų | 25 | 48.7 Ų | 48.7 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 103.8 | -167.4 | 172.1 | 21.2 | 0 | 0 | 0 | 106.7 | K1401 A1403 G1429 P1443 | K1401-D1431 VanDerWaalsContact CE-CG 3.44Å; K1401-D1431 WeakPolarHBondContact CE-OD2 3.35Å; K1401-D1431 IonicContact NZ-OD1 2.76Å; K1401-D1431 PolarHBondContact NZ-OD1 3.49Å; K1401-D1431 IonicContact NZ-OD2 3.03Å; K1401-D1431 PolarHBondContact NZ-OD2 3.09Å; K1401-D1431 VanDerWaalsContact NZ-OD2 3.09Å; A1403-D1431 HydrophobicContact CB-CB 4.15Å; A1403-D1431 PolarHBondContact N-O 3.21Å; A1403-D1431 PolarHBondContact O-N 2.82Å; G1429-D1431 PolarHBondContact O-N 3.14Å; D1431-P1443 HydrophobicContact CB-CG 4.25Å |
| 1432 | I | 84.3 | Confident | 83.9 | Confident | 45 Ų | 45 | 51 Ų | 51 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 111.6 | -171.6 | -59.1 | 173.6 | 0 | 0 | 0 | 108.7 | K1401 V1430 F1436 M1437 M1441 | K1401-I1432 CarbonylContact O-C 3.45Å; K1401-I1432 WeakPolarHBondContact O-CA 3.43Å; V1430-I1432 HydrophobicContact CG2-CD1 3.88Å; V1430-I1432 HydrophobicContact CG2-CG1 3.94Å; I1432-F1436 HydrophobicContact CG2-CZ 4.17Å; I1432-M1437 HydrophobicContact CG2-CG 4.23Å; I1432-M1441 HydrophobicContact CB-SD 4.05Å; I1432-M1441 HydrophobicContact CG1-SD 4.3Å; I1432-M1441 PolarHBondContact N-SD 2.87Å |
| 1433 | D | 75.2 | Confident | 83.7 | Confident | 56 Ų | 56 | 51.7 Ų | 51.7 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 112.9 | 166 | -55.2 | -16.3 | 0 | 0 | 0 | 106.8 | E1400 K1401 | E1400-D1433 CarbonylContact C-O 3.55Å; E1400-D1433 WeakPolarHBondContact CA-O 3.32Å; E1400-D1433 VanDerWaalsContact CB-O 3.28Å; E1400-D1433 WeakPolarHBondContact CB-O 3.08Å; K1401-D1433 VanDerWaalsContact CD-OD2 3.26Å; K1401-D1433 WeakPolarHBondContact CD-OD2 3.34Å; K1401-D1433 WeakPolarHBondContact CE-OD2 3.43Å; K1401-D1433 HydrophobicContact CG-CB 4.02Å; K1401-D1433 PolarHBondContact N-O 3.33Å; K1401-D1433 IonicContact NZ-OD1 3.12Å; K1401-D1433 PolarHBondContact NZ-OD1 2.97Å; K1401-D1433 IonicContact NZ-OD2 3.64Å; K1401-D1433 PolarHBondContact NZ-OD2 2.89Å; K1401-D1433 PolarHBondContact O-N 2.84Å |
| 1434 | G | 69.4 | Low | 83.6 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | trans | -146.6 | 149.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | E1400 F1436 M1437 | E1400-G1434 WeakPolarHBondContact OE1-CA 3.5Å; G1434-F1436 PolarHBondContact O-N 2.86Å; G1434-M1437 PolarHBondContact O-N 3.48Å | ||
| 1435 | N | 61.1 | Low | 83.5 | Confident | 94 Ų | 94 | 52.6 Ų | 52.6 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.6 | -176.7 | -60.3 | -37.2 | 0 | 0 | 0 | 113.4 | R38 E1400 | R38-N1435 PolarHBondContact NH2-OD1 2.89Å; E1400-N1435 PolarHBondContact OE1-N 3.17Å; E1400-N1435 PolarHBondContact OE1-ND2 3.22Å; E1400-N1435 VanDerWaalsContact OE1-ND2 3.1Å |
| 1436 | F | 64.5 | Low | 83.4 | Confident | 141 Ų | 141 | 52.8 Ų | 52.8 | 62% | 0.618 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -11.2 | 178.1 | 64 | -90.5 | 0 | 0 | 0 | 114.4 | I1432 G1434 P1438 | I1432-F1436 HydrophobicContact CG2-CZ 4.17Å; G1434-F1436 PolarHBondContact O-N 2.86Å; F1436-P1438 WeakPolarHBondContact O-CD 3.41Å |
| 1437 | M | 69.4 | Low | 83.4 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 22% | 0.217 | 27% | 0.271 | C | S | . | . | trans | -85 | 113.1 | 177.8 | -78.7 | -76.3 | -73.1 | 0 | 0 | 109.1 | I1432 G1434 F1439 M1441 | I1432-M1437 HydrophobicContact CG2-CG 4.23Å; G1434-M1437 PolarHBondContact O-N 3.48Å; M1437-F1439 HydrophobicContact CE-CD2 4.1Å; M1437-F1439 HydrophobicContact CE-CE2 3.44Å; M1437-F1439 VanDerWaalsContact CE-CE2 3.44Å; M1437-F1439 HydrophobicContact CE-CZ 3.8Å; M1437-F1439 PolarHBondContact O-N 2.88Å; M1437-F1439 VanDerWaalsContact O-N 3.11Å; M1437-M1441 HydrophobicContact CE-CB 3.97Å; M1437-M1441 HydrophobicContact CE-CG 4.2Å; M1437-M1441 HydrophobicContact CE-SD 3.64Å | ||
| 1438 | P | 71 | Confident | 83.5 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -86.3 | 22.9 | -173.1 | 39 | -38.2 | 0 | 0 | 0 | 112.1 | F1436 I1495 T1496 V1497 | F1436-P1438 WeakPolarHBondContact O-CD 3.41Å; P1438-I1495 HydrophobicContact CB-CG2 4.14Å; P1438-I1495 CarbonylContact O-C 3.28Å; P1438-I1495 VanDerWaalsContact O-CA 3.23Å; P1438-I1495 WeakPolarHBondContact O-CA 3.33Å; P1438-I1495 WeakPolarHBondContact O-CG2 3.43Å; P1438-T1496 CarbonylContact C-O 3.53Å; P1438-T1496 WeakPolarHBondContact CA-O 3.28Å; P1438-T1496 PolarHBondContact O-N 2.73Å; P1438-T1496 VanDerWaalsContact O-O 3.12Å; P1438-V1497 HydrophobicContact CB-CG2 4.43Å |
| 1439 | F | 78.2 | Confident | 83.7 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -157.3 | 145.9 | 175.4 | 53.2 | -101 | 0 | 0 | 0 | 110.7 | M1437 M1441 V1461 T1463 I1468 R1494 | M1437-F1439 HydrophobicContact CE-CD2 4.1Å; M1437-F1439 HydrophobicContact CE-CE2 3.44Å; M1437-F1439 VanDerWaalsContact CE-CE2 3.44Å; M1437-F1439 HydrophobicContact CE-CZ 3.8Å; M1437-F1439 PolarHBondContact O-N 2.88Å; M1437-F1439 VanDerWaalsContact O-N 3.11Å; F1439-M1441 PolarHBondContact O-N 2.8Å; F1439-M1441 VanDerWaalsContact O-N 3.11Å; F1439-V1461 HydrophobicContact CE2-CG1 3.66Å; F1439-V1461 HydrophobicContact CZ-CG1 3.94Å; F1439-T1463 HydrophobicContact CB-CG2 4.2Å; F1439-T1463 HydrophobicContact CD2-CG2 3.47Å; F1439-T1463 VanDerWaalsContact CD2-CG2 3.47Å; F1439-T1463 HydrophobicContact CE2-CG2 4.01Å; F1439-T1463 HydrophobicContact CG-CG2 3.92Å; F1439-I1468 HydrophobicContact CE1-CD1 4.2Å; F1439-I1468 HydrophobicContact CZ-CD1 4.21Å; F1439-R1494 VanDerWaalsContact CB-O 3.32Å; F1439-R1494 WeakPolarHBondContact CB-O 3.29Å |
| 1440 | D | 75.2 | Confident | 83.9 | Confident | 85 Ų | 85 | 51 Ų | 51 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | trans | -69.4 | 107.1 | 174.3 | -64.1 | -29.5 | 0 | 0 | 0 | 109.6 | T1463 Q1464 | D1440-T1463 VanDerWaalsContact O-CA 3.24Å; D1440-T1463 WeakPolarHBondContact O-CA 3.32Å; D1440-Q1464 HydrophobicContact CB-CG 3.85Å; D1440-Q1464 VanDerWaalsContact CB-NE2 3.31Å; D1440-Q1464 VanDerWaalsContact CG-NE2 3.34Å; D1440-Q1464 PolarHBondContact O-N 3.04Å; D1440-Q1464 PolarHBondContact OD2-NE2 3.01Å | ||
| 1441 | M | 85.1 | Confident | 84 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 9% | 0.094 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 143.1 | 179.6 | -161.7 | 170 | -171.2 | 0 | 0 | 110.7 | V1430 I1432 M1437 F1439 V1461 | V1430-M1441 HydrophobicContact CB-CE 4.42Å; V1430-M1441 HydrophobicContact CG1-CE 3.9Å; V1430-M1441 HydrophobicContact CG2-CE 4.05Å; I1432-M1441 HydrophobicContact CB-SD 4.05Å; I1432-M1441 HydrophobicContact CG1-SD 4.3Å; I1432-M1441 PolarHBondContact N-SD 2.87Å; M1437-M1441 HydrophobicContact CE-CB 3.97Å; M1437-M1441 HydrophobicContact CE-CG 4.2Å; M1437-M1441 HydrophobicContact CE-SD 3.64Å; F1439-M1441 PolarHBondContact O-N 2.8Å; F1439-M1441 VanDerWaalsContact O-N 3.11Å; M1441-V1461 HydrophobicContact CE-CG1 4.26Å |
| 1442 | Q | 88.9 | Confident | 84.2 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 158.1 | 164.3 | -74.2 | -169.6 | -0.2 | 0 | 0 | 109.7 | S1444 R1462 | Q1442-S1444 WeakPolarHBondContact O-CB 3.27Å; Q1442-S1444 PolarHBondContact O-N 3.02Å; Q1442-S1444 PolarHBondContact O-OG 2.95Å; Q1442-R1462 HydrophobicContact CB-CB 3.76Å; Q1442-R1462 PolarHBondContact N-O 3.23Å |
| 1443 | P | 92.1 | Very high | 84.6 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.3 | 100.1 | 176.4 | -32.4 | 37.5 | 0 | 0 | 0 | 113.7 | V1430 D1431 | V1430-P1443 WeakPolarHBondContact O-CA 3.2Å; D1431-P1443 HydrophobicContact CB-CG 4.25Å |
| 1444 | S | 93.7 | Very high | 85.5 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 175.2 | -168.7 | -67.1 | 0 | 0 | 0 | 0 | 112 | G1429 V1430 Q1442 T1460 R1462 | G1429-S1444 WeakPolarHBondContact CA-O 3.44Å; G1429-S1444 PolarHBondContact N-O 2.82Å; V1430-S1444 PolarHBondContact N-O 3.27Å; V1430-S1444 VanDerWaalsContact N-O 3.12Å; V1430-S1444 PolarHBondContact O-N 2.83Å; Q1442-S1444 WeakPolarHBondContact O-CB 3.27Å; Q1442-S1444 PolarHBondContact O-N 3.02Å; Q1442-S1444 PolarHBondContact O-OG 2.95Å; S1444-T1460 WeakPolarHBondContact CB-O 3.38Å; S1444-R1462 PolarHBondContact OG-N 2.81Å |
| 1445 | Q | 93.3 | Very high | 86.8 | Confident | 119 Ų | 119 | 59.8 Ų | 59.8 | 56% | 0.556 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 125.8 | 177.5 | -64.6 | -176 | -0.4 | 0 | 0 | 111.1 | V1427 G1459 T1460 | V1427-Q1445 WeakPolarHBondContact O-CA 3.49Å; Q1445-G1459 CarbonylContact O-C 3.53Å; Q1445-G1459 VanDerWaalsContact O-CA 3.24Å; Q1445-G1459 WeakPolarHBondContact O-CA 3.5Å; Q1445-T1460 PolarHBondContact N-O 2.83Å; Q1445-T1460 PolarHBondContact O-N 3.48Å |
| 1446 | L | 93.1 | Very high | 88.5 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.9 | 174.4 | -58.7 | 178 | 0 | 0 | 0 | 108.8 | Q1426 V1427 V1430 V1461 L1470 | Q1426-L1446 CarbonylContact C-O 3.52Å; Q1426-L1446 WeakPolarHBondContact CA-O 3.23Å; V1427-L1446 PolarHBondContact N-O 2.85Å; V1427-L1446 PolarHBondContact O-N 2.82Å; V1427-L1446 VanDerWaalsContact O-N 3.07Å; V1430-L1446 HydrophobicContact CG1-CG 4.42Å; L1446-V1461 HydrophobicContact CD2-CG2 4.13Å; L1446-L1470 HydrophobicContact CD2-CD1 3.98Å |
| 1447 | A | 96.3 | Very high | 90 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 17% | 0.174 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1425 A1458 | L1425-A1447 CarbonylContact O-C 3.59Å; L1425-A1447 WeakPolarHBondContact O-CA 3.2Å; A1447-A1458 PolarHBondContact N-O 2.83Å; A1447-A1458 PolarHBondContact O-N 3.26Å; A1447-A1458 VanDerWaalsContact O-O 3.1Å |
| 1448 | V | 96.2 | Very high | 91.2 | Very high | 28 Ų | 28 | 53.5 Ų | 53.5 | 17% | 0.17 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117 | 171.1 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | Q1424 L1425 F1450 T1456 L1457 | Q1424-V1448 WeakPolarHBondContact CA-O 3.46Å; L1425-V1448 PolarHBondContact N-O 3.12Å; L1425-V1448 PolarHBondContact O-N 2.77Å; V1448-F1450 HydrophobicContact CB-CE2 3.91Å; V1448-F1450 HydrophobicContact CB-CZ 3.92Å; V1448-F1450 HydrophobicContact CG1-CD1 4.24Å; V1448-F1450 HydrophobicContact CG1-CD2 4.25Å; V1448-F1450 HydrophobicContact CG1-CE1 3.67Å; V1448-F1450 HydrophobicContact CG1-CE2 3.68Å; V1448-F1450 HydrophobicContact CG1-CZ 3.37Å; V1448-T1456 CarbonylContact C-O 3.58Å; V1448-T1456 WeakPolarHBondContact CA-O 3.45Å; V1448-L1457 HydrophobicContact CG2-CD1 3.87Å |
| 1449 | N | 97 | Very high | 92.3 | Very high | 54 Ų | 54 | 51.8 Ų | 51.8 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 115.7 | 177.8 | -46.2 | -76.6 | 0 | 0 | 0 | 108.2 | G1423 Q1424 S1455 T1456 | G1423-N1449 CarbonylContact O-C 3.58Å; G1423-N1449 WeakPolarHBondContact O-CA 3.41Å; Q1424-N1449 WeakPolarHBondContact CG-OD1 3.5Å; Q1424-N1449 PolarHBondContact NE2-OD1 3.01Å; N1449-S1455 CarbonylContact O-C 2.91Å; N1449-S1455 WeakPolarHBondContact O-CA 3.34Å; N1449-S1455 WeakPolarHBondContact O-CB 3.41Å; N1449-T1456 PolarHBondContact N-O 3.3Å; N1449-T1456 PolarHBondContact ND2-OG1 3.41Å; N1449-T1456 PolarHBondContact O-N 2.81Å |
| 1450 | F | 96.2 | Very high | 93 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 16% | 0.158 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 138.1 | -180 | -57.6 | -88.5 | 0 | 0 | 0 | 110.1 | L1410 L1421 F1422 G1423 L1425 V1448 W1476 | L1410-F1450 HydrophobicContact CD2-CD2 3.53Å; L1410-F1450 HydrophobicContact CD2-CE2 3.77Å; L1410-F1450 HydrophobicContact CD2-CG 4.5Å; L1421-F1450 HydrophobicContact CB-CB 3.93Å; L1421-F1450 HydrophobicContact CB-CD1 4.14Å; L1421-F1450 HydrophobicContact CB-CG 4.19Å; L1421-F1450 HydrophobicContact CD2-CB 4.32Å; L1421-F1450 HydrophobicContact CD2-CD1 3.43Å; L1421-F1450 VanDerWaalsContact CD2-CD1 3.43Å; L1421-F1450 HydrophobicContact CD2-CD2 4.08Å; L1421-F1450 HydrophobicContact CD2-CE1 3.61Å; L1421-F1450 HydrophobicContact CD2-CE2 4.22Å; L1421-F1450 HydrophobicContact CD2-CG 3.68Å; L1421-F1450 HydrophobicContact CD2-CZ 4Å; L1421-F1450 HydrophobicContact CG-CB 3.76Å; L1421-F1450 HydrophobicContact CG-CD1 3.85Å; L1421-F1450 HydrophobicContact CG-CD2 4.19Å; L1421-F1450 HydrophobicContact CG-CE1 4.49Å; L1421-F1450 HydrophobicContact CG-CG 3.67Å; L1421-F1450 CarbonylContact O-C 3.39Å; L1421-F1450 VanDerWaalsContact O-C 3.32Å; L1421-F1450 WeakPolarHBondContact O-CB 3.45Å; F1422-F1450 VanDerWaalsContact CA-O 3.32Å; F1422-F1450 WeakPolarHBondContact CA-O 3.49Å; G1423-F1450 PolarHBondContact N-O 3.43Å; G1423-F1450 VanDerWaalsContact N-O 3.17Å; G1423-F1450 PolarHBondContact O-N 2.87Å; L1425-F1450 HydrophobicContact CB-CE2 3.86Å; V1448-F1450 HydrophobicContact CB-CE2 3.91Å; V1448-F1450 HydrophobicContact CB-CZ 3.92Å; V1448-F1450 HydrophobicContact CG1-CD1 4.24Å; V1448-F1450 HydrophobicContact CG1-CD2 4.25Å; V1448-F1450 HydrophobicContact CG1-CE1 3.67Å; V1448-F1450 HydrophobicContact CG1-CE2 3.68Å; V1448-F1450 HydrophobicContact CG1-CZ 3.37Å; F1450-W1476 AromaticContact CD1-CH2 3.94Å; F1450-W1476 HydrophobicContact CD1-CH2 3.94Å |
| 1451 | N | 94.7 | Very high | 93.7 | Very high | 120 Ų | 120 | 48.5 Ų | 48.5 | 64% | 0.642 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 82.5 | -179.6 | -176.8 | 33 | 0 | 0 | 0 | 111 | L1421 R1454 | L1421-N1451 PolarHBondContact O-N 3.37Å; N1451-R1454 CarbonylContact C-O 3.41Å; N1451-R1454 PolarHBondContact N-O 3.46Å |
| 1452 | G | 93.7 | Very high | 93.9 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 9% | 0.093 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 88.8 | -132.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q1420 L1421 F1422 R1454 W1476 | Q1420-G1452 CarbonylContact C-O 3.44Å; Q1420-G1452 WeakPolarHBondContact CA-O 3.15Å; L1421-G1452 PolarHBondContact N-O 2.9Å; L1421-G1452 PolarHBondContact O-N 2.75Å; F1422-G1452 VanDerWaalsContact CE1-N 3.27Å; G1452-R1454 PolarHBondContact O-N 3.11Å; G1452-W1476 WeakPolarHBondContact O-CZ2 3.2Å |
| 1453 | M | 92.2 | Very high | 93.8 | Very high | 31 Ų | 31 | 49 Ų | 49 | 15% | 0.153 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -90.9 | 26.5 | 171.2 | -53.1 | -176.9 | 78 | 0 | 0 | 111.6 | Q1420 D1475 W1476 | Q1420-M1453 HydrophobicContact CG-CG 3.76Å; M1453-D1475 WeakPolarHBondContact O-CA 3.37Å; M1453-W1476 VanDerWaalsContact C-CE2 3.46Å; M1453-W1476 VanDerWaalsContact C-CZ2 3.46Å; M1453-W1476 WeakPolarHBondContact CE-O 3.38Å; M1453-W1476 PolarHBondContact O-N 3.27Å |
| 1454 | R | 94.9 | Very high | 93.1 | Very high | 153 Ų | 153 | 51.4 Ų | 51.4 | 58% | 0.577 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 155.5 | -178.4 | -69.9 | -178.6 | 175.5 | 179.1 | -5.1 | 111.2 | N1451 G1452 A1474 D1475 W1476 | N1451-R1454 CarbonylContact C-O 3.41Å; N1451-R1454 PolarHBondContact N-O 3.46Å; G1452-R1454 PolarHBondContact O-N 3.11Å; R1454-A1474 CarbonylContact C-O 3.54Å; R1454-A1474 WeakPolarHBondContact CA-O 2.5Å; R1454-A1474 WeakPolarHBondContact CB-O 2.73Å; R1454-D1475 HydrophobicContact CG-CB 4.03Å; R1454-D1475 IonicContact CZ-OD2 2.73Å; R1454-D1475 IonicContact NE-OD2 3.36Å; R1454-D1475 PolarHBondContact NE-OD2 2.99Å; R1454-D1475 IonicContact NH2-OD2 3.57Å; R1454-D1475 PolarHBondContact NH2-OD2 3.03Å; R1454-W1476 VanDerWaalsContact C-CZ3 3.49Å; R1454-W1476 WeakPolarHBondContact O-CH2 3.5Å |
| 1455 | S | 96.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 156.8 | 170.1 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | N1449 D1473 A1474 | N1449-S1455 CarbonylContact O-C 2.91Å; N1449-S1455 WeakPolarHBondContact O-CA 3.34Å; N1449-S1455 WeakPolarHBondContact O-CB 3.41Å; S1455-D1473 CarbonylContact O-C 3.37Å; S1455-D1473 VanDerWaalsContact O-CA 3.24Å; S1455-D1473 WeakPolarHBondContact O-CA 2.59Å; S1455-A1474 PolarHBondContact N-O 2.82Å; S1455-A1474 PolarHBondContact O-N 3.27Å |
| 1456 | T | 96.8 | Very high | 92 | Very high | 72 Ų | 72 | 51.3 Ų | 51.3 | 44% | 0.442 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 131.4 | 163.6 | 58.9 | 0 | 0 | 0 | 0 | 111 | V1448 N1449 G1472 | V1448-T1456 CarbonylContact C-O 3.58Å; V1448-T1456 WeakPolarHBondContact CA-O 3.45Å; N1449-T1456 PolarHBondContact N-O 3.3Å; N1449-T1456 PolarHBondContact ND2-OG1 3.41Å; N1449-T1456 PolarHBondContact O-N 2.81Å; T1456-G1472 CarbonylContact C-O 3.56Å; T1456-G1472 VanDerWaalsContact CA-O 3.24Å; T1456-G1472 WeakPolarHBondContact CA-O 3.3Å |
| 1457 | L | 95.4 | Very high | 91.9 | Very high | 38 Ų | 38 | 51.6 Ų | 51.6 | 20% | 0.199 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 130.6 | 168.1 | 172.2 | 64.7 | 0 | 0 | 0 | 108.5 | V1448 L1470 N1471 G1472 V1486 | V1448-L1457 HydrophobicContact CG2-CD1 3.87Å; L1457-L1470 HydrophobicContact CD2-CB 4.49Å; L1457-N1471 CarbonylContact O-C 3.59Å; L1457-N1471 WeakPolarHBondContact O-CA 3.29Å; L1457-G1472 PolarHBondContact N-O 3.12Å; L1457-G1472 PolarHBondContact O-N 3.37Å; L1457-V1486 HydrophobicContact CD2-CG1 3.92Å; L1457-V1486 HydrophobicContact CD2-CG2 3.93Å |
| 1458 | A | 95.3 | Very high | 91.6 | Very high | 38 Ų | 38 | 51.7 Ų | 51.7 | 31% | 0.314 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 131.3 | 168 | 0 | 0 | 0 | 0 | 0 | 109.2 | A1447 L1470 | A1447-A1458 PolarHBondContact N-O 2.83Å; A1447-A1458 PolarHBondContact O-N 3.26Å; A1447-A1458 VanDerWaalsContact O-O 3.1Å; A1458-L1470 CarbonylContact C-O 3.58Å; A1458-L1470 WeakPolarHBondContact CA-O 3.46Å |
| 1459 | G | 93.3 | Very high | 91.6 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 13% | 0.134 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171 | 167.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q1445 L1470 | Q1445-G1459 CarbonylContact O-C 3.53Å; Q1445-G1459 VanDerWaalsContact O-CA 3.24Å; Q1445-G1459 WeakPolarHBondContact O-CA 3.5Å; G1459-L1470 PolarHBondContact N-O 3.17Å; G1459-L1470 PolarHBondContact O-N 2.83Å |
| 1460 | T | 92.5 | Very high | 91.4 | Very high | 36 Ų | 36 | 54.5 Ų | 54.5 | 22% | 0.221 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 111.6 | 175.6 | -56 | 0 | 0 | 0 | 0 | 108.4 | S1444 Q1445 R1462 E1467 I1468 Y1469 | S1444-T1460 WeakPolarHBondContact CB-O 3.38Å; Q1445-T1460 PolarHBondContact N-O 2.83Å; Q1445-T1460 PolarHBondContact O-N 3.48Å; T1460-R1462 HydrophobicContact CG2-CG 4.39Å; T1460-E1467 HydrophobicContact CG2-CB 3.79Å; T1460-E1467 VanDerWaalsContact CG2-CD 3.49Å; T1460-E1467 HydrophobicContact CG2-CG 3.98Å; T1460-I1468 WeakPolarHBondContact CA-O 3.16Å; T1460-Y1469 HydrophobicContact CG2-CD1 4.11Å; T1460-Y1469 HydrophobicContact CG2-CE1 3.82Å |
| 1461 | V | 90.1 | Very high | 91.4 | Very high | 13 Ų | 13 | 57.2 Ų | 57.2 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 115.8 | 167.8 | 175.8 | 0 | 0 | 0 | 0 | 107.5 | F1439 M1441 L1446 E1467 I1468 L1470 | F1439-V1461 HydrophobicContact CE2-CG1 3.66Å; F1439-V1461 HydrophobicContact CZ-CG1 3.94Å; M1441-V1461 HydrophobicContact CE-CG1 4.26Å; L1446-V1461 HydrophobicContact CD2-CG2 4.13Å; V1461-E1467 WeakPolarHBondContact O-CA 3.33Å; V1461-I1468 HydrophobicContact CB-CB 4.26Å; V1461-I1468 HydrophobicContact CB-CD1 4.39Å; V1461-I1468 HydrophobicContact CG1-CD1 4.32Å; V1461-I1468 PolarHBondContact N-O 3.2Å; V1461-I1468 PolarHBondContact O-N 2.84Å; V1461-L1470 HydrophobicContact CG2-CD1 3.84Å; V1461-L1470 HydrophobicContact CG2-CG 4.49Å |
| 1462 | R | 90.6 | Very high | 91.4 | Very high | 105 Ų | 105 | 52.1 Ų | 52.1 | 40% | 0.396 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 139.9 | 173 | -65.1 | -171.3 | 160.3 | 133.6 | 8.4 | 109.4 | Q1442 S1444 T1460 E1467 | Q1442-R1462 HydrophobicContact CB-CB 3.76Å; Q1442-R1462 PolarHBondContact N-O 3.23Å; S1444-R1462 PolarHBondContact OG-N 2.81Å; T1460-R1462 HydrophobicContact CG2-CG 4.39Å; R1462-E1467 HydrophobicContact CG-CG 4.21Å; R1462-E1467 IonicContact CZ-OE1 3.59Å; R1462-E1467 IonicContact NE-OE1 3.7Å; R1462-E1467 PolarHBondContact NE-OE1 2.8Å; R1462-E1467 IonicContact NH2-OE1 2.7Å; R1462-E1467 PolarHBondContact NH2-OE1 2.94Å; R1462-E1467 VanDerWaalsContact NH2-OE1 3.17Å |
| 1463 | T | 86.3 | Confident | 91.5 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.043 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 179.4 | 169.6 | 74 | 0 | 0 | 0 | 0 | 109.1 | F1439 D1440 Q1465 G1466 V1493 | F1439-T1463 HydrophobicContact CB-CG2 4.2Å; F1439-T1463 HydrophobicContact CD2-CG2 3.47Å; F1439-T1463 VanDerWaalsContact CD2-CG2 3.47Å; F1439-T1463 HydrophobicContact CE2-CG2 4.01Å; F1439-T1463 HydrophobicContact CG-CG2 3.92Å; D1440-T1463 VanDerWaalsContact O-CA 3.24Å; D1440-T1463 WeakPolarHBondContact O-CA 3.32Å; T1463-Q1465 PolarHBondContact O-N 2.93Å; T1463-Q1465 PolarHBondContact OG1-N 2.91Å; T1463-Q1465 VanDerWaalsContact OG1-N 3.12Å; T1463-Q1465 PolarHBondContact OG1-O 2.8Å; T1463-G1466 PolarHBondContact N-O 2.96Å; T1463-G1466 PolarHBondContact OG1-O 2.96Å; T1463-V1493 HydrophobicContact CG2-CG1 3.89Å |
| 1464 | Q | 78 | Confident | 91.6 | Very high | 123 Ų | 123 | 55.2 Ų | 55.2 | 58% | 0.575 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -60.7 | -25.7 | 169.3 | -71.4 | -174.2 | 30.9 | 0 | 0 | 113.9 | D1440 | D1440-Q1464 HydrophobicContact CB-CG 3.85Å; D1440-Q1464 VanDerWaalsContact CB-NE2 3.31Å; D1440-Q1464 VanDerWaalsContact CG-NE2 3.34Å; D1440-Q1464 PolarHBondContact O-N 3.04Å; D1440-Q1464 PolarHBondContact OD2-NE2 3.01Å |
| 1465 | Q | 80.5 | Confident | 91.5 | Very high | 87 Ų | 87 | 49.3 Ų | 49.3 | 41% | 0.407 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -144.2 | 107 | 178 | -62.2 | -167 | 6 | 0 | 0 | 110.6 | T1463 V1493 R1494 | T1463-Q1465 PolarHBondContact O-N 2.93Å; T1463-Q1465 PolarHBondContact OG1-N 2.91Å; T1463-Q1465 VanDerWaalsContact OG1-N 3.12Å; T1463-Q1465 PolarHBondContact OG1-O 2.8Å; Q1465-V1493 VanDerWaalsContact O-CA 3.28Å; Q1465-V1493 WeakPolarHBondContact O-CA 3.18Å; Q1465-R1494 HydrophobicContact CB-CB 3.99Å; Q1465-R1494 PolarHBondContact O-N 2.8Å; Q1465-R1494 VanDerWaalsContact OE1-NH1 3.14Å; Q1465-R1494 VanDerWaalsContact OE1-NH2 3.16Å |
| 1466 | G | 83.2 | Confident | 91.2 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 32% | 0.32 | 27% | 0.269 | S | S | . | . | trans | 94.5 | 155.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1463 | T1463-G1466 PolarHBondContact N-O 2.96Å; T1463-G1466 PolarHBondContact OG1-O 2.96Å | ||
| 1467 | E | 90.7 | Very high | 90.7 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 142.2 | 171.9 | -64.2 | -168.2 | 143.5 | 0 | 0 | 109.3 | T1460 V1461 R1462 Y1469 | T1460-E1467 HydrophobicContact CG2-CB 3.79Å; T1460-E1467 VanDerWaalsContact CG2-CD 3.49Å; T1460-E1467 HydrophobicContact CG2-CG 3.98Å; V1461-E1467 WeakPolarHBondContact O-CA 3.33Å; R1462-E1467 HydrophobicContact CG-CG 4.21Å; R1462-E1467 IonicContact CZ-OE1 3.59Å; R1462-E1467 IonicContact NE-OE1 3.7Å; R1462-E1467 PolarHBondContact NE-OE1 2.8Å; R1462-E1467 IonicContact NH2-OE1 2.7Å; R1462-E1467 PolarHBondContact NH2-OE1 2.94Å; R1462-E1467 VanDerWaalsContact NH2-OE1 3.17Å; E1467-Y1469 HydrophobicContact CB-CE1 4.38Å; E1467-Y1469 HydrophobicContact CB-CE2 4.37Å; E1467-Y1469 PolarHBondContact OE2-OH 2.92Å |
| 1468 | I | 90.9 | Very high | 90.1 | Very high | 23 Ų | 23 | 54.5 Ų | 54.5 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.2 | 165.9 | -49.2 | 162.6 | 0 | 0 | 0 | 107.5 | F1439 T1460 V1461 L1470 A1488 V1493 | F1439-I1468 HydrophobicContact CE1-CD1 4.2Å; F1439-I1468 HydrophobicContact CZ-CD1 4.21Å; T1460-I1468 WeakPolarHBondContact CA-O 3.16Å; V1461-I1468 HydrophobicContact CB-CB 4.26Å; V1461-I1468 HydrophobicContact CB-CD1 4.39Å; V1461-I1468 HydrophobicContact CG1-CD1 4.32Å; V1461-I1468 PolarHBondContact N-O 3.2Å; V1461-I1468 PolarHBondContact O-N 2.84Å; I1468-L1470 HydrophobicContact CG2-CD2 3.79Å; I1468-L1470 HydrophobicContact CG2-CG 4.4Å; I1468-A1488 HydrophobicContact CG2-CB 4.19Å; I1468-V1493 HydrophobicContact CD1-CG1 4.14Å; I1468-V1493 HydrophobicContact CG1-CB 4.46Å; I1468-V1493 HydrophobicContact CG1-CG1 3.94Å; I1468-V1493 HydrophobicContact CG1-CG2 3.81Å |
| 1469 | Y | 94.9 | Very high | 89.3 | Confident | 111 Ų | 111 | 57.7 Ų | 57.7 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 118.8 | 169.8 | -56.2 | -72.7 | 0 | 0 | 0 | 109 | T1460 E1467 K1489 | T1460-Y1469 HydrophobicContact CG2-CD1 4.11Å; T1460-Y1469 HydrophobicContact CG2-CE1 3.82Å; E1467-Y1469 HydrophobicContact CB-CE1 4.38Å; E1467-Y1469 HydrophobicContact CB-CE2 4.37Å; E1467-Y1469 PolarHBondContact OE2-OH 2.92Å; Y1469-K1489 PolarHBondContact N-O 2.86Å; Y1469-K1489 PolarHBondContact O-N 3.42Å |
| 1470 | L | 93.6 | Very high | 88.5 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.8 | 175.2 | -59.3 | -179.7 | 0 | 0 | 0 | 108.3 | L1446 L1457 A1458 G1459 V1461 I1468 V1486 A1488 | L1446-L1470 HydrophobicContact CD2-CD1 3.98Å; L1457-L1470 HydrophobicContact CD2-CB 4.49Å; A1458-L1470 CarbonylContact C-O 3.58Å; A1458-L1470 WeakPolarHBondContact CA-O 3.46Å; G1459-L1470 PolarHBondContact N-O 3.17Å; G1459-L1470 PolarHBondContact O-N 2.83Å; V1461-L1470 HydrophobicContact CG2-CD1 3.84Å; V1461-L1470 HydrophobicContact CG2-CG 4.49Å; I1468-L1470 HydrophobicContact CG2-CD2 3.79Å; I1468-L1470 HydrophobicContact CG2-CG 4.4Å; L1470-V1486 HydrophobicContact CD2-CG1 4.45Å; L1470-A1488 HydrophobicContact CD2-CB 3.62Å |
| 1471 | N | 95.5 | Very high | 88 | Confident | 93 Ų | 93 | 67.4 Ų | 67.4 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.4 | 171 | -72.4 | -68.7 | 0 | 0 | 0 | 109 | L1457 T1487 | L1457-N1471 CarbonylContact O-C 3.59Å; L1457-N1471 WeakPolarHBondContact O-CA 3.29Å; N1471-T1487 PolarHBondContact N-O 3.04Å; N1471-T1487 WeakPolarHBondContact O-CA 2.91Å; N1471-T1487 WeakPolarHBondContact O-CB 3.18Å; N1471-T1487 PolarHBondContact O-N 2.76Å |
| 1472 | G | 93.9 | Very high | 88.1 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 173 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1456 L1457 R1485 | T1456-G1472 CarbonylContact C-O 3.56Å; T1456-G1472 VanDerWaalsContact CA-O 3.24Å; T1456-G1472 WeakPolarHBondContact CA-O 3.3Å; L1457-G1472 PolarHBondContact N-O 3.12Å; L1457-G1472 PolarHBondContact O-N 3.37Å; G1472-R1485 CarbonylContact C-O 3.53Å; G1472-R1485 WeakPolarHBondContact CA-O 3.18Å |
| 1473 | D | 96.3 | Very high | 88.2 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 159.4 | 175.4 | 62.2 | -81.4 | 0 | 0 | 0 | 110.7 | S1455 R1485 | S1455-D1473 CarbonylContact O-C 3.37Å; S1455-D1473 VanDerWaalsContact O-CA 3.24Å; S1455-D1473 WeakPolarHBondContact O-CA 2.59Å; D1473-R1485 PolarHBondContact N-O 2.93Å; D1473-R1485 PolarHBondContact O-N 2.75Å |
| 1474 | A | 94.9 | Very high | 88.5 | Confident | 19 Ų | 19 | 73.4 Ų | 73.4 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 151.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1454 S1455 W1476 R1483 A1484 | R1454-A1474 CarbonylContact C-O 3.54Å; R1454-A1474 WeakPolarHBondContact CA-O 2.5Å; R1454-A1474 WeakPolarHBondContact CB-O 2.73Å; S1455-A1474 PolarHBondContact N-O 2.82Å; S1455-A1474 PolarHBondContact O-N 3.27Å; A1474-W1476 HydrophobicContact CB-CZ3 4.47Å; A1474-R1483 CarbonylContact C-O 3.59Å; A1474-R1483 WeakPolarHBondContact CA-O 3.39Å; A1474-A1484 HydrophobicContact CB-CB 3.96Å |
| 1475 | D | 92.9 | Very high | 89.4 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 16% | 0.16 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 120.5 | -178.8 | -170.1 | -25.7 | 0 | 0 | 0 | 109.1 | M1453 R1454 S1477 W1482 R1483 | M1453-D1475 WeakPolarHBondContact O-CA 3.37Å; R1454-D1475 HydrophobicContact CG-CB 4.03Å; R1454-D1475 IonicContact CZ-OD2 2.73Å; R1454-D1475 IonicContact NE-OD2 3.36Å; R1454-D1475 PolarHBondContact NE-OD2 2.99Å; R1454-D1475 IonicContact NH2-OD2 3.57Å; R1454-D1475 PolarHBondContact NH2-OD2 3.03Å; D1475-S1477 WeakPolarHBondContact OD1-CB 2.88Å; D1475-S1477 PolarHBondContact OD1-N 2.82Å; D1475-S1477 PolarHBondContact OD1-OG 3.15Å; D1475-W1482 WeakPolarHBondContact O-CA 3.48Å; D1475-R1483 PolarHBondContact N-O 3.37Å; D1475-R1483 PolarHBondContact O-N 3.08Å |
| 1476 | W | 89.2 | Confident | 90.1 | Very high | 44 Ų | 44 | 69.6 Ų | 69.6 | 17% | 0.167 | 35% | 0.347 | C | S | . | . | trans | -119.7 | 25.2 | 175.3 | 60.2 | 90.4 | 0 | 0 | 0 | 111.8 | P1419 L1421 F1450 G1452 M1453 R1454 A1474 Q1478 I1479 W1482 | P1419-W1476 PolarHBondContact O-NE1 2.82Å; L1421-W1476 HydrophobicContact CB-CZ2 4.25Å; F1450-W1476 AromaticContact CD1-CH2 3.94Å; F1450-W1476 HydrophobicContact CD1-CH2 3.94Å; G1452-W1476 WeakPolarHBondContact O-CZ2 3.2Å; M1453-W1476 VanDerWaalsContact C-CE2 3.46Å; M1453-W1476 VanDerWaalsContact C-CZ2 3.46Å; M1453-W1476 WeakPolarHBondContact CE-O 3.38Å; M1453-W1476 PolarHBondContact O-N 3.27Å; R1454-W1476 VanDerWaalsContact C-CZ3 3.49Å; R1454-W1476 WeakPolarHBondContact O-CH2 3.5Å; A1474-W1476 HydrophobicContact CB-CZ3 4.47Å; W1476-Q1478 CarbonylContact O-C 3.5Å; W1476-Q1478 PolarHBondContact O-N 3.32Å; W1476-Q1478 VanDerWaalsContact O-N 3.17Å; W1476-I1479 HydrophobicContact CB-CD1 4.15Å; W1476-I1479 PolarHBondContact O-N 3.45Å; W1476-W1482 HydrophobicContact CB-CB 4.01Å | ||
| 1477 | S | 85.8 | Confident | 90.7 | Very high | 69 Ų | 69 | 70.1 Ų | 70.1 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -58.4 | -22.8 | 174.4 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | D1475 | D1475-S1477 WeakPolarHBondContact OD1-CB 2.88Å; D1475-S1477 PolarHBondContact OD1-N 2.82Å; D1475-S1477 PolarHBondContact OD1-OG 3.15Å |
| 1478 | Q | 84.4 | Confident | 90.8 | Very high | 120 Ų | 120 | 68.5 Ų | 68.5 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -114.5 | 105.4 | 157.6 | -64 | -172.5 | -38.9 | 0 | 0 | 108.1 | W1476 E1480 N1481 W1482 | W1476-Q1478 CarbonylContact O-C 3.5Å; W1476-Q1478 PolarHBondContact O-N 3.32Å; W1476-Q1478 VanDerWaalsContact O-N 3.17Å; Q1478-E1480 VanDerWaalsContact C-N 3.29Å; Q1478-E1480 PolarHBondContact O-N 2.8Å; Q1478-N1481 HydrophobicContact CB-CB 4.01Å; Q1478-N1481 CarbonylContact O-C 3.55Å; Q1478-N1481 PolarHBondContact O-N 3.02Å; Q1478-N1481 PolarHBondContact OE1-ND2 3.44Å; Q1478-W1482 WeakPolarHBondContact O-CA 3.21Å; Q1478-W1482 PolarHBondContact O-N 3.32Å |
| 1479 | I | 77.8 | Confident | 91 | Very high | 106 Ų | 106 | 72.3 Ų | 72.3 | 54% | 0.544 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -67.3 | -29.7 | -174.5 | -167.1 | 61.3 | 0 | 0 | 0 | 112.9 | W1476 N1481 | W1476-I1479 HydrophobicContact CB-CD1 4.15Å; W1476-I1479 PolarHBondContact O-N 3.45Å; I1479-N1481 VanDerWaalsContact C-N 3.25Å; I1479-N1481 PolarHBondContact O-N 3.39Å |
| 1480 | E | 76.6 | Confident | 90.8 | Very high | 178 Ų | 178 | 67.6 Ų | 67.6 | 83% | 0.832 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -79.5 | -3.9 | 174.5 | -64.6 | 172.9 | -164.9 | 0 | 0 | 113.3 | Q1478 | Q1478-E1480 VanDerWaalsContact C-N 3.29Å; Q1478-E1480 PolarHBondContact O-N 2.8Å |
| 1481 | N | 82.5 | Confident | 90.6 | Very high | 75 Ų | 75 | 70 Ų | 70 | 40% | 0.401 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -146.4 | 44.2 | -179 | -177.9 | 32.8 | 0 | 0 | 0 | 109.7 | Q1478 I1479 | Q1478-N1481 HydrophobicContact CB-CB 4.01Å; Q1478-N1481 CarbonylContact O-C 3.55Å; Q1478-N1481 PolarHBondContact O-N 3.02Å; Q1478-N1481 PolarHBondContact OE1-ND2 3.44Å; I1479-N1481 VanDerWaalsContact C-N 3.25Å; I1479-N1481 PolarHBondContact O-N 3.39Å |
| 1482 | W | 91.1 | Very high | 90.2 | Very high | 81 Ų | 81 | 71.3 Ų | 71.3 | 31% | 0.307 | 36% | 0.362 | S | S | . | . | trans | -64.3 | 151.5 | 179.8 | 63.3 | -102.7 | 0 | 0 | 0 | 110.4 | D1475 W1476 Q1478 A1484 A1513 T1514 P1515 F1518 | D1475-W1482 WeakPolarHBondContact O-CA 3.48Å; W1476-W1482 HydrophobicContact CB-CB 4.01Å; Q1478-W1482 WeakPolarHBondContact O-CA 3.21Å; Q1478-W1482 PolarHBondContact O-N 3.32Å; W1482-A1484 HydrophobicContact CE3-CB 4.43Å; W1482-A1484 HydrophobicContact CZ3-CB 4.07Å; W1482-A1513 HydrophobicContact CH2-CB 3.92Å; W1482-A1513 VanDerWaalsContact CZ3-C 3.49Å; W1482-A1513 HydrophobicContact CZ3-CB 3.75Å; W1482-A1513 VanDerWaalsContact CZ3-O 3.29Å; W1482-A1513 WeakPolarHBondContact CZ3-O 3.38Å; W1482-T1514 WeakPolarHBondContact O-CA 3.42Å; W1482-P1515 HydrophobicContact CD2-CG 4.46Å; W1482-P1515 HydrophobicContact CG-CG 4.18Å; W1482-P1515 WeakPolarHBondContact O-CD 3.28Å; W1482-F1518 HydrophobicContact CH2-CE1 4.25Å | ||
| 1483 | R | 92.8 | Very high | 90 | Very high | 144 Ų | 144 | 70.9 Ų | 70.9 | 54% | 0.543 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136 | 175 | -82 | 176 | 179.4 | -122.4 | -3 | 110.5 | A1474 D1475 A1513 T1514 | A1474-R1483 CarbonylContact C-O 3.59Å; A1474-R1483 WeakPolarHBondContact CA-O 3.39Å; D1475-R1483 PolarHBondContact N-O 3.37Å; D1475-R1483 PolarHBondContact O-N 3.08Å; R1483-A1513 CarbonylContact C-O 3.55Å; R1483-A1513 WeakPolarHBondContact CA-O 3.33Å; R1483-T1514 HydrophobicContact CG-CG2 3.85Å |
| 1484 | A | 93.8 | Very high | 89.6 | Confident | 25 Ų | 25 | 69.9 Ų | 69.9 | 21% | 0.207 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 146.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A1474 W1482 E1512 A1513 | A1474-A1484 HydrophobicContact CB-CB 3.96Å; W1482-A1484 HydrophobicContact CE3-CB 4.43Å; W1482-A1484 HydrophobicContact CZ3-CB 4.07Å; A1484-E1512 CarbonylContact O-C 3.55Å; A1484-E1512 VanDerWaalsContact O-CA 3.3Å; A1484-E1512 WeakPolarHBondContact O-CA 3.35Å; A1484-A1513 HydrophobicContact CB-CB 4.47Å; A1484-A1513 PolarHBondContact N-O 2.75Å; A1484-A1513 PolarHBondContact O-N 2.97Å |
| 1485 | R | 96.2 | Very high | 89 | Confident | 97 Ų | 97 | 70.6 Ų | 70.6 | 37% | 0.366 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 118.6 | -178.2 | -178.5 | 175.9 | -138.4 | -87.3 | -8.6 | 108.8 | G1472 D1473 V1510 F1511 E1512 | G1472-R1485 CarbonylContact C-O 3.53Å; G1472-R1485 WeakPolarHBondContact CA-O 3.18Å; D1473-R1485 PolarHBondContact N-O 2.93Å; D1473-R1485 PolarHBondContact O-N 2.75Å; R1485-V1510 HydrophobicContact CG-CG1 3.92Å; R1485-F1511 CarbonylContact C-O 3.09Å; R1485-F1511 WeakPolarHBondContact CA-O 3.35Å; R1485-E1512 HydrophobicContact CG-CG 4.2Å; R1485-E1512 IonicContact CZ-OE1 2.68Å; R1485-E1512 IonicContact NE-OE1 3.71Å; R1485-E1512 PolarHBondContact NE-OE1 3Å; R1485-E1512 IonicContact NH2-OE1 3.6Å; R1485-E1512 PolarHBondContact NH2-OE1 3.09Å |
| 1486 | V | 95.1 | Very high | 88 | Confident | 33 Ų | 33 | 71 Ų | 71 | 20% | 0.2 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 113.6 | -179.1 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | L1457 L1470 F1511 | L1457-V1486 HydrophobicContact CD2-CG1 3.92Å; L1457-V1486 HydrophobicContact CD2-CG2 3.93Å; L1470-V1486 HydrophobicContact CD2-CG1 4.45Å; V1486-F1511 PolarHBondContact N-O 2.84Å; V1486-F1511 PolarHBondContact O-N 2.75Å |
| 1487 | T | 95.7 | Very high | 87 | Confident | 42 Ų | 42 | 72.2 Ų | 72.2 | 26% | 0.258 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 123.9 | 168.1 | -49 | 0 | 0 | 0 | 0 | 109 | N1471 V1509 V1510 | N1471-T1487 PolarHBondContact N-O 3.04Å; N1471-T1487 WeakPolarHBondContact O-CA 2.91Å; N1471-T1487 WeakPolarHBondContact O-CB 3.18Å; N1471-T1487 PolarHBondContact O-N 2.76Å; T1487-V1509 CarbonylContact C-O 3.46Å; T1487-V1509 WeakPolarHBondContact CA-O 3.19Å; T1487-V1510 HydrophobicContact CG2-CG2 4.33Å |
| 1488 | A | 92.4 | Very high | 85.6 | Confident | 21 Ų | 21 | 73.1 Ų | 73.1 | 17% | 0.174 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 112.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | I1468 L1470 V1509 | I1468-A1488 HydrophobicContact CG2-CB 4.19Å; L1470-A1488 HydrophobicContact CD2-CB 3.62Å; A1488-V1509 HydrophobicContact CB-CG2 4.07Å; A1488-V1509 PolarHBondContact N-O 3.15Å; A1488-V1509 PolarHBondContact O-N 2.53Å |
| 1489 | K | 94.6 | Very high | 84.2 | Confident | 103 Ų | 103 | 69.1 Ų | 69.1 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123.9 | -177.7 | -161.6 | -175.6 | -160.6 | 95.2 | 0 | 111 | Y1469 P1507 D1508 | Y1469-K1489 PolarHBondContact N-O 2.86Å; Y1469-K1489 PolarHBondContact O-N 3.42Å; K1489-P1507 CarbonylContact C-O 3.44Å; K1489-P1507 WeakPolarHBondContact CA-O 3.44Å; K1489-D1508 WeakPolarHBondContact CG-OD1 3.27Å; K1489-D1508 IonicContact NZ-OD1 2.64Å; K1489-D1508 PolarHBondContact NZ-OD1 3.18Å; K1489-D1508 IonicContact NZ-OD2 2.71Å; K1489-D1508 PolarHBondContact NZ-OD2 3.42Å |
| 1490 | G | 91.9 | Very high | 83.5 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 168.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1506 P1507 | G1490-S1506 WeakPolarHBondContact O-CA 3.45Å; G1490-P1507 PolarHBondContact N-O 2.88Å |
| 1491 | S | 88.7 | Confident | 83.6 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 56% | 0.559 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -139.9 | 116.8 | 176.9 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | V1493 | S1491-V1493 VanDerWaalsContact C-N 3.26Å; S1491-V1493 PolarHBondContact O-N 3.11Å |
| 1492 | K | 88 | Confident | 83.7 | Confident | 122 Ų | 122 | 64 Ų | 64 | 53% | 0.53 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 49.7 | 44.3 | -176.9 | -58.6 | -177.5 | -179.6 | 179.7 | 0 | 113.6 | R1494 D1504 V1505 S1506 P1527 | K1492-R1494 PolarHBondContact O-N 2.97Å; K1492-D1504 HydrophobicContact CB-CB 4.33Å; K1492-V1505 CarbonylContact C-O 3.39Å; K1492-V1505 WeakPolarHBondContact CA-O 3.38Å; K1492-V1505 PolarHBondContact N-O 3.21Å; K1492-V1505 VanDerWaalsContact N-O 3.14Å; K1492-S1506 PolarHBondContact N-OG 3.05Å; K1492-P1527 HydrophobicContact CG-CG 4.07Å |
| 1493 | V | 89.5 | Confident | 83.6 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 120.2 | 173.5 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | T1463 Q1465 I1468 S1491 I1495 D1504 V1505 | T1463-V1493 HydrophobicContact CG2-CG1 3.89Å; Q1465-V1493 VanDerWaalsContact O-CA 3.28Å; Q1465-V1493 WeakPolarHBondContact O-CA 3.18Å; I1468-V1493 HydrophobicContact CD1-CG1 4.14Å; I1468-V1493 HydrophobicContact CG1-CB 4.46Å; I1468-V1493 HydrophobicContact CG1-CG1 3.94Å; I1468-V1493 HydrophobicContact CG1-CG2 3.81Å; S1491-V1493 VanDerWaalsContact C-N 3.26Å; S1491-V1493 PolarHBondContact O-N 3.11Å; V1493-I1495 PolarHBondContact O-N 2.94Å; V1493-D1504 WeakPolarHBondContact O-CA 3.46Å; V1493-V1505 HydrophobicContact CB-CG2 4.32Å; V1493-V1505 PolarHBondContact N-O 3.15Å; V1493-V1505 PolarHBondContact O-N 3.28Å |
| 1494 | R | 87.4 | Confident | 83.5 | Confident | 66 Ų | 66 | 56.5 Ų | 56.5 | 25% | 0.249 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 116.8 | 179.7 | -179.7 | 152.1 | -67.3 | 159.4 | 11.9 | 111.4 | F1439 Q1465 K1492 M1503 D1504 | F1439-R1494 VanDerWaalsContact CB-O 3.32Å; F1439-R1494 WeakPolarHBondContact CB-O 3.29Å; Q1465-R1494 HydrophobicContact CB-CB 3.99Å; Q1465-R1494 PolarHBondContact O-N 2.8Å; Q1465-R1494 VanDerWaalsContact OE1-NH1 3.14Å; Q1465-R1494 VanDerWaalsContact OE1-NH2 3.16Å; K1492-R1494 PolarHBondContact O-N 2.97Å; R1494-M1503 WeakPolarHBondContact CA-O 3.43Å; R1494-D1504 IonicContact CZ-OD1 2.79Å; R1494-D1504 IonicContact CZ-OD2 3.68Å; R1494-D1504 IonicContact NE-OD1 3.38Å; R1494-D1504 PolarHBondContact NE-OD1 3.01Å; R1494-D1504 IonicContact NH2-OD1 3.33Å; R1494-D1504 PolarHBondContact NH2-OD1 2.89Å; R1494-D1504 IonicContact NH2-OD2 3.48Å; R1494-D1504 PolarHBondContact NH2-OD2 2.9Å |
| 1495 | I | 83 | Confident | 83.3 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 17% | 0.169 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136 | 172.2 | -69 | -176.1 | 0 | 0 | 0 | 109.5 | P1438 V1493 V1497 R1502 M1503 V1505 | P1438-I1495 HydrophobicContact CB-CG2 4.14Å; P1438-I1495 CarbonylContact O-C 3.28Å; P1438-I1495 VanDerWaalsContact O-CA 3.23Å; P1438-I1495 WeakPolarHBondContact O-CA 3.33Å; P1438-I1495 WeakPolarHBondContact O-CG2 3.43Å; V1493-I1495 PolarHBondContact O-N 2.94Å; I1495-V1497 HydrophobicContact CG2-CG2 4.08Å; I1495-R1502 CarbonylContact O-C 3.55Å; I1495-R1502 WeakPolarHBondContact O-CA 3.27Å; I1495-M1503 HydrophobicContact CB-CE 4.21Å; I1495-M1503 HydrophobicContact CB-CG 4.02Å; I1495-M1503 HydrophobicContact CD1-CE 4.35Å; I1495-M1503 HydrophobicContact CG2-CE 3.69Å; I1495-M1503 HydrophobicContact CG2-CG 4.25Å; I1495-M1503 PolarHBondContact N-O 3.26Å; I1495-M1503 PolarHBondContact O-N 3.5Å; I1495-V1505 HydrophobicContact CD1-CG1 4.41Å; I1495-V1505 HydrophobicContact CD1-CG2 3.46Å; I1495-V1505 VanDerWaalsContact CD1-CG2 3.46Å; I1495-V1505 HydrophobicContact CG1-CG2 3.97Å |
| 1496 | T | 72.1 | Confident | 83.2 | Confident | 40 Ų | 40 | 52.3 Ų | 52.3 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122.2 | 171.5 | -56.9 | 0 | 0 | 0 | 0 | 108.1 | P1438 P1498 V1501 R1502 | P1438-T1496 CarbonylContact C-O 3.53Å; P1438-T1496 WeakPolarHBondContact CA-O 3.28Å; P1438-T1496 PolarHBondContact O-N 2.73Å; P1438-T1496 VanDerWaalsContact O-O 3.12Å; T1496-P1498 HydrophobicContact CG2-CG 4.19Å; T1496-V1501 CarbonylContact C-O 3.49Å; T1496-V1501 WeakPolarHBondContact CA-O 3.24Å; T1496-R1502 HydrophobicContact CG2-CG 3.75Å |
| 1497 | V | 68.4 | Low | 83.1 | Confident | 69 Ų | 69 | 51.7 Ų | 51.7 | 42% | 0.418 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 97 | 170.6 | -176.7 | 0 | 0 | 0 | 0 | 106.7 | P1438 I1495 P1499 M1500 V1501 | P1438-V1497 HydrophobicContact CB-CG2 4.43Å; I1495-V1497 HydrophobicContact CG2-CG2 4.08Å; V1497-P1499 CarbonylContact O-C 3.51Å; V1497-M1500 PolarHBondContact O-N 3.15Å; V1497-V1501 HydrophobicContact CB-CB 4.29Å; V1497-V1501 PolarHBondContact N-O 3.04Å; V1497-V1501 PolarHBondContact O-N 3.17Å |
| 1498 | P | 56.1 | Low | 83.1 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 57% | 0.571 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 144.1 | -175 | -18.5 | 31.4 | 0 | 0 | 0 | 112.4 | T1496 M1500 | T1496-P1498 HydrophobicContact CG2-CG 4.19Å; P1498-M1500 VanDerWaalsContact C-N 3.34Å |
| 1499 | P | 53.6 | Low | 83.1 | Confident | 36 Ų | 36 | 53 Ų | 53 | 23% | 0.234 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -83.4 | -6.8 | -13.8 | 34.9 | -35.2 | 0 | 0 | 0 | 112.9 | V1497 | V1497-P1499 CarbonylContact O-C 3.51Š|
| 1500 | M | 64.5 | Low | 83.2 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -28.8 | -156.1 | -66.3 | 174.5 | 70.1 | 0 | 0 | 117.1 | V1497 P1498 I1531 V1532 V1533 | V1497-M1500 PolarHBondContact O-N 3.15Å; P1498-M1500 VanDerWaalsContact C-N 3.34Å; M1500-I1531 CarbonylContact O-C 3.42Å; M1500-I1531 WeakPolarHBondContact O-CA 3.31Å; M1500-V1532 WeakPolarHBondContact CA-O 3.48Å; M1500-V1532 PolarHBondContact O-N 2.97Å; M1500-V1533 HydrophobicContact CE-CG1 4.17Å; M1500-V1533 HydrophobicContact CE-CG2 3.99Å |
| 1501 | V | 77.8 | Confident | 83.2 | Confident | 33 Ų | 33 | 52.6 Ų | 52.6 | 20% | 0.2 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 134.7 | -170.5 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | T1496 V1497 M1503 I1531 | T1496-V1501 CarbonylContact C-O 3.49Å; T1496-V1501 WeakPolarHBondContact CA-O 3.24Å; V1497-V1501 HydrophobicContact CB-CB 4.29Å; V1497-V1501 PolarHBondContact N-O 3.04Å; V1497-V1501 PolarHBondContact O-N 3.17Å; V1501-M1503 HydrophobicContact CG1-CB 4.22Å; V1501-M1503 HydrophobicContact CG1-CG 4.07Å; V1501-M1503 HydrophobicContact CG1-SD 4.09Å; V1501-I1531 HydrophobicContact CG1-CG1 4.1Å; V1501-I1531 HydrophobicContact CG2-CG1 4.25Å; V1501-I1531 HydrophobicContact CG2-CG2 4.32Å |
| 1502 | R | 85.3 | Confident | 83.4 | Confident | 143 Ų | 143 | 51.4 Ų | 51.4 | 54% | 0.54 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.9 | 156.4 | -78.3 | 178.1 | -76.9 | -170.9 | -9.7 | 109.9 | I1495 T1496 W1528 A1529 R1530 | I1495-R1502 CarbonylContact O-C 3.55Å; I1495-R1502 WeakPolarHBondContact O-CA 3.27Å; T1496-R1502 HydrophobicContact CG2-CG 3.75Å; R1502-W1528 HydrophobicContact CB-CH2 4.32Å; R1502-W1528 HydrophobicContact CB-CZ3 4.2Å; R1502-A1529 CarbonylContact O-C 3.38Å; R1502-A1529 VanDerWaalsContact O-CA 3.25Å; R1502-A1529 WeakPolarHBondContact O-CA 3.44Å; R1502-R1530 PolarHBondContact N-O 2.97Å; R1502-R1530 PolarHBondContact O-N 3.01Å |
| 1503 | M | 88.3 | Confident | 83.5 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 148.1 | -176.8 | 59.9 | -177.3 | 177.7 | 0 | 0 | 112.6 | R1494 I1495 V1501 V1505 V1526 W1528 A1529 | R1494-M1503 WeakPolarHBondContact CA-O 3.43Å; I1495-M1503 HydrophobicContact CB-CE 4.21Å; I1495-M1503 HydrophobicContact CB-CG 4.02Å; I1495-M1503 HydrophobicContact CD1-CE 4.35Å; I1495-M1503 HydrophobicContact CG2-CE 3.69Å; I1495-M1503 HydrophobicContact CG2-CG 4.25Å; I1495-M1503 PolarHBondContact N-O 3.26Å; I1495-M1503 PolarHBondContact O-N 3.5Å; V1501-M1503 HydrophobicContact CG1-CB 4.22Å; V1501-M1503 HydrophobicContact CG1-CG 4.07Å; V1501-M1503 HydrophobicContact CG1-SD 4.09Å; M1503-V1505 HydrophobicContact CE-CG1 4.25Å; M1503-V1505 HydrophobicContact CG-CG1 4.01Å; M1503-V1505 HydrophobicContact SD-CG1 3.99Å; M1503-V1526 HydrophobicContact CB-CG1 4.4Å; M1503-W1528 WeakPolarHBondContact CA-O 3.49Å; M1503-A1529 HydrophobicContact CB-CB 3.55Å |
| 1504 | D | 91.3 | Very high | 83.4 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.9 | 169.9 | -61.6 | -12 | 0 | 0 | 0 | 107.2 | K1492 V1493 R1494 P1527 W1528 | K1492-D1504 HydrophobicContact CB-CB 4.33Å; V1493-D1504 WeakPolarHBondContact O-CA 3.46Å; R1494-D1504 IonicContact CZ-OD1 2.79Å; R1494-D1504 IonicContact CZ-OD2 3.68Å; R1494-D1504 IonicContact NE-OD1 3.38Å; R1494-D1504 PolarHBondContact NE-OD1 3.01Å; R1494-D1504 IonicContact NH2-OD1 3.33Å; R1494-D1504 PolarHBondContact NH2-OD1 2.89Å; R1494-D1504 IonicContact NH2-OD2 3.48Å; R1494-D1504 PolarHBondContact NH2-OD2 2.9Å; D1504-P1527 VanDerWaalsContact O-CD 3.25Å; D1504-P1527 WeakPolarHBondContact O-CD 3.2Å; D1504-W1528 HydrophobicContact CB-CB 4.21Å; D1504-W1528 HydrophobicContact CB-CE3 4.37Å; D1504-W1528 PolarHBondContact N-O 2.88Å |
| 1505 | V | 90.4 | Very high | 82.9 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 145.4 | -179.8 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | K1492 V1493 I1495 M1503 P1507 V1524 V1526 | K1492-V1505 CarbonylContact C-O 3.39Å; K1492-V1505 WeakPolarHBondContact CA-O 3.38Å; K1492-V1505 PolarHBondContact N-O 3.21Å; K1492-V1505 VanDerWaalsContact N-O 3.14Å; V1493-V1505 HydrophobicContact CB-CG2 4.32Å; V1493-V1505 PolarHBondContact N-O 3.15Å; V1493-V1505 PolarHBondContact O-N 3.28Å; I1495-V1505 HydrophobicContact CD1-CG1 4.41Å; I1495-V1505 HydrophobicContact CD1-CG2 3.46Å; I1495-V1505 VanDerWaalsContact CD1-CG2 3.46Å; I1495-V1505 HydrophobicContact CG1-CG2 3.97Å; M1503-V1505 HydrophobicContact CE-CG1 4.25Å; M1503-V1505 HydrophobicContact CG-CG1 4.01Å; M1503-V1505 HydrophobicContact SD-CG1 3.99Å; V1505-P1507 WeakPolarHBondContact O-CD 3.38Å; V1505-V1524 HydrophobicContact CB-CG1 3.98Å; V1505-V1524 HydrophobicContact CG1-CG1 4.2Å; V1505-V1526 HydrophobicContact CG1-CG2 4.32Å |
| 1506 | S | 93.7 | Very high | 82.7 | Confident | 24 Ų | 24 | 50 Ų | 50 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 86.1 | 168.4 | -63 | 0 | 0 | 0 | 0 | 108.1 | G1490 K1492 D1525 | G1490-S1506 WeakPolarHBondContact O-CA 3.45Å; K1492-S1506 PolarHBondContact N-OG 3.05Å; S1506-D1525 PolarHBondContact N-O 2.86Å; S1506-D1525 PolarHBondContact O-N 2.8Å; S1506-D1525 VanDerWaalsContact O-N 3.15Å |
| 1507 | P | 93.3 | Very high | 83.1 | Confident | 19 Ų | 19 | 51.3 Ų | 51.3 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 143.3 | 178 | 31.6 | -34.3 | 0 | 0 | 0 | 110.9 | K1489 G1490 V1505 V1509 V1524 | K1489-P1507 CarbonylContact C-O 3.44Å; K1489-P1507 WeakPolarHBondContact CA-O 3.44Å; G1490-P1507 PolarHBondContact N-O 2.88Å; V1505-P1507 WeakPolarHBondContact O-CD 3.38Å; P1507-V1509 HydrophobicContact CB-CG1 4.4Å; P1507-V1509 HydrophobicContact CB-CG2 4.37Å; P1507-V1524 HydrophobicContact CB-CG2 4.4Å |
| 1508 | D | 94.4 | Very high | 84.1 | Confident | 74 Ų | 74 | 50.5 Ų | 50.5 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 76.6 | 166.1 | -161.7 | 14.9 | 0 | 0 | 0 | 106.9 | K1489 R1523 | K1489-D1508 WeakPolarHBondContact CG-OD1 3.27Å; K1489-D1508 IonicContact NZ-OD1 2.64Å; K1489-D1508 PolarHBondContact NZ-OD1 3.18Å; K1489-D1508 IonicContact NZ-OD2 2.71Å; K1489-D1508 PolarHBondContact NZ-OD2 3.42Å; D1508-R1523 PolarHBondContact N-O 2.9Å; D1508-R1523 PolarHBondContact O-N 3.38Å |
| 1509 | V | 93.4 | Very high | 85.6 | Confident | 18 Ų | 18 | 47.4 Ų | 47.4 | 11% | 0.109 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 150.8 | -167.5 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | T1487 A1488 P1507 L1520 D1521 V1524 L1570 | T1487-V1509 CarbonylContact C-O 3.46Å; T1487-V1509 WeakPolarHBondContact CA-O 3.19Å; A1488-V1509 HydrophobicContact CB-CG2 4.07Å; A1488-V1509 PolarHBondContact N-O 3.15Å; A1488-V1509 PolarHBondContact O-N 2.53Å; P1507-V1509 HydrophobicContact CB-CG1 4.4Å; P1507-V1509 HydrophobicContact CB-CG2 4.37Å; V1509-L1520 HydrophobicContact CB-CD1 4.2Å; V1509-L1520 HydrophobicContact CG2-CD1 4.12Å; V1509-D1521 CarbonylContact C-O 3.44Å; V1509-D1521 WeakPolarHBondContact CA-O 3.46Å; V1509-V1524 HydrophobicContact CG1-CG2 3.83Å; V1509-L1570 HydrophobicContact CB-CD2 4.35Å; V1509-L1570 HydrophobicContact CG1-CD2 3.61Å |
| 1510 | V | 95.5 | Very high | 87.3 | Confident | 27 Ų | 27 | 48.2 Ų | 48.2 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124 | 171.6 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | R1485 T1487 E1512 L1520 D1521 | R1485-V1510 HydrophobicContact CG-CG1 3.92Å; T1487-V1510 HydrophobicContact CG2-CG2 4.33Å; V1510-E1512 HydrophobicContact CG1-CG 3.85Å; V1510-L1520 CarbonylContact O-C 3.52Å; V1510-L1520 WeakPolarHBondContact O-CA 3.27Å; V1510-D1521 PolarHBondContact N-O 3.24Å; V1510-D1521 PolarHBondContact O-N 2.87Å |
| 1511 | F | 92.6 | Very high | 88.4 | Confident | 78 Ų | 78 | 47.2 Ų | 47.2 | 34% | 0.342 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.7 | 165.3 | 177.6 | -106.5 | 0 | 0 | 0 | 109 | R1485 V1486 A1513 F1518 T1519 L1520 | R1485-F1511 CarbonylContact C-O 3.09Å; R1485-F1511 WeakPolarHBondContact CA-O 3.35Å; V1486-F1511 PolarHBondContact N-O 2.84Å; V1486-F1511 PolarHBondContact O-N 2.75Å; F1511-A1513 HydrophobicContact CD1-CB 4.47Å; F1511-A1513 HydrophobicContact CE1-CB 3.67Å; F1511-A1513 HydrophobicContact CZ-CB 3.94Å; F1511-F1518 HydrophobicContact CE2-CB 3.88Å; F1511-F1518 HydrophobicContact CE2-CD2 4.43Å; F1511-F1518 HydrophobicContact CE2-CG 4.2Å; F1511-F1518 HydrophobicContact CZ-CB 4.11Å; F1511-F1518 HydrophobicContact CZ-CD1 4.33Å; F1511-F1518 HydrophobicContact CZ-CD2 4.16Å; F1511-F1518 AromaticContact CZ-CG 3.95Å; F1511-F1518 HydrophobicContact CZ-CG 3.95Å; F1511-T1519 CarbonylContact C-O 3.24Å; F1511-T1519 VanDerWaalsContact CA-O 3.3Å; F1511-T1519 WeakPolarHBondContact CA-O 3.4Å; F1511-T1519 VanDerWaalsContact CD2-O 3.3Å; F1511-T1519 WeakPolarHBondContact CD2-O 3.47Å; F1511-L1520 HydrophobicContact CB-CD1 4.11Å; F1511-L1520 HydrophobicContact CD2-CD1 4.46Å |
| 1512 | E | 92.8 | Very high | 89 | Confident | 55 Ų | 55 | 47.1 Ų | 47.1 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 145.9 | 168.6 | -49.8 | -160.3 | 176.6 | 0 | 0 | 109.8 | A1484 R1485 V1510 F1518 T1519 | A1484-E1512 CarbonylContact O-C 3.55Å; A1484-E1512 VanDerWaalsContact O-CA 3.3Å; A1484-E1512 WeakPolarHBondContact O-CA 3.35Å; R1485-E1512 HydrophobicContact CG-CG 4.2Å; R1485-E1512 IonicContact CZ-OE1 2.68Å; R1485-E1512 IonicContact NE-OE1 3.71Å; R1485-E1512 PolarHBondContact NE-OE1 3Å; R1485-E1512 IonicContact NH2-OE1 3.6Å; R1485-E1512 PolarHBondContact NH2-OE1 3.09Å; V1510-E1512 HydrophobicContact CG1-CG 3.85Å; E1512-F1518 CarbonylContact O-C 3.58Å; E1512-F1518 WeakPolarHBondContact O-CA 3.38Å; E1512-T1519 PolarHBondContact N-O 3.42Å; E1512-T1519 PolarHBondContact O-N 3.03Å |
| 1513 | A | 90 | Very high | 89.1 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 142.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W1482 R1483 A1484 F1511 F1518 | W1482-A1513 HydrophobicContact CH2-CB 3.92Å; W1482-A1513 VanDerWaalsContact CZ3-C 3.49Å; W1482-A1513 HydrophobicContact CZ3-CB 3.75Å; W1482-A1513 VanDerWaalsContact CZ3-O 3.29Å; W1482-A1513 WeakPolarHBondContact CZ3-O 3.38Å; R1483-A1513 CarbonylContact C-O 3.55Å; R1483-A1513 WeakPolarHBondContact CA-O 3.33Å; A1484-A1513 HydrophobicContact CB-CB 4.47Å; A1484-A1513 PolarHBondContact N-O 2.75Å; A1484-A1513 PolarHBondContact O-N 2.97Å; F1511-A1513 HydrophobicContact CD1-CB 4.47Å; F1511-A1513 HydrophobicContact CE1-CB 3.67Å; F1511-A1513 HydrophobicContact CZ-CB 3.94Å; A1513-F1518 HydrophobicContact CB-CD1 3.52Å; A1513-F1518 HydrophobicContact CB-CE1 3.82Å; A1513-F1518 HydrophobicContact CB-CG 4.42Å |
| 1514 | T | 87.7 | Confident | 89.3 | Confident | 23 Ų | 23 | 43.4 Ų | 43.4 | 14% | 0.141 | 23% | 0.234 | C | C | . | . | trans | -141.3 | 170.7 | 177.9 | 66.6 | 0 | 0 | 0 | 0 | 109.6 | W1482 R1483 N1516 L1517 | W1482-T1514 WeakPolarHBondContact O-CA 3.42Å; R1483-T1514 HydrophobicContact CG-CG2 3.85Å; T1514-N1516 PolarHBondContact O-N 2.9Å; T1514-N1516 VanDerWaalsContact O-N 3.16Å; T1514-N1516 PolarHBondContact OG1-N 3.06Å; T1514-L1517 PolarHBondContact N-O 3.27Å; T1514-L1517 PolarHBondContact OG1-N 3.13Å; T1514-L1517 PolarHBondContact OG1-O 2.77Å | ||
| 1515 | P | 77.3 | Confident | 89.4 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -52.4 | -31.7 | 171.2 | -27.4 | 32.3 | 0 | 0 | 0 | 115.1 | W1482 I1564 | W1482-P1515 HydrophobicContact CD2-CG 4.46Å; W1482-P1515 HydrophobicContact CG-CG 4.18Å; W1482-P1515 WeakPolarHBondContact O-CD 3.28Å; P1515-I1564 WeakPolarHBondContact O-CD1 3.4Å; P1515-I1564 WeakPolarHBondContact O-CG1 3.15Å |
| 1516 | N | 77.4 | Confident | 89.5 | Confident | 132 Ų | 132 | 45.4 Ų | 45.4 | 71% | 0.706 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -116.2 | -8.4 | -165.7 | -62.3 | -11.5 | 0 | 0 | 0 | 114 | T1514 P1565 | T1514-N1516 PolarHBondContact O-N 2.9Å; T1514-N1516 VanDerWaalsContact O-N 3.16Å; T1514-N1516 PolarHBondContact OG1-N 3.06Å; N1516-P1565 WeakPolarHBondContact O-CD 3.34Å; N1516-P1565 VanDerWaalsContact O-CG 3.26Å; N1516-P1565 WeakPolarHBondContact O-CG 2.96Å |
| 1517 | L | 82 | Confident | 89.3 | Confident | 66 Ų | 66 | 46.3 Ų | 46.3 | 35% | 0.346 | 25% | 0.25 | S | S | . | . | trans | -159.8 | 136.9 | -176.9 | -176.8 | 67.2 | 0 | 0 | 0 | 111.1 | T1514 T1519 P1565 N1567 | T1514-L1517 PolarHBondContact N-O 3.27Å; T1514-L1517 PolarHBondContact OG1-N 3.13Å; T1514-L1517 PolarHBondContact OG1-O 2.77Å; L1517-T1519 HydrophobicContact CD2-CG2 3.89Å; L1517-T1519 HydrophobicContact CG-CG2 4.08Å; L1517-P1565 HydrophobicContact CD1-CB 4.49Å; L1517-P1565 HydrophobicContact CD1-CG 4.19Å; L1517-N1567 HydrophobicContact CD1-CB 4.05Å | ||
| 1518 | F | 88.1 | Confident | 89.4 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 23% | 0.232 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.8 | 160.9 | -60 | -20.6 | 0 | 0 | 0 | 109.4 | W1482 F1511 E1512 A1513 I1564 P1565 I1566 N1567 | W1482-F1518 HydrophobicContact CH2-CE1 4.25Å; F1511-F1518 HydrophobicContact CE2-CB 3.88Å; F1511-F1518 HydrophobicContact CE2-CD2 4.43Å; F1511-F1518 HydrophobicContact CE2-CG 4.2Å; F1511-F1518 HydrophobicContact CZ-CB 4.11Å; F1511-F1518 HydrophobicContact CZ-CD1 4.33Å; F1511-F1518 HydrophobicContact CZ-CD2 4.16Å; F1511-F1518 AromaticContact CZ-CG 3.95Å; F1511-F1518 HydrophobicContact CZ-CG 3.95Å; E1512-F1518 CarbonylContact O-C 3.58Å; E1512-F1518 WeakPolarHBondContact O-CA 3.38Å; A1513-F1518 HydrophobicContact CB-CD1 3.52Å; A1513-F1518 HydrophobicContact CB-CE1 3.82Å; A1513-F1518 HydrophobicContact CB-CG 4.42Å; F1518-I1564 HydrophobicContact CD1-CB 4.49Å; F1518-I1564 HydrophobicContact CD1-CG2 3.7Å; F1518-I1564 HydrophobicContact CD2-CB 4.42Å; F1518-I1564 HydrophobicContact CD2-CG2 4.26Å; F1518-I1564 HydrophobicContact CE1-CB 4.17Å; F1518-I1564 HydrophobicContact CE1-CD1 3.77Å; F1518-I1564 HydrophobicContact CE1-CG2 3.73Å; F1518-I1564 HydrophobicContact CE2-CB 4.1Å; F1518-I1564 HydrophobicContact CE2-CG2 4.3Å; F1518-I1564 HydrophobicContact CG-CG2 3.98Å; F1518-I1564 HydrophobicContact CZ-CB 3.98Å; F1518-I1564 HydrophobicContact CZ-CD1 3.66Å; F1518-I1564 HydrophobicContact CZ-CG1 4.37Å; F1518-I1564 HydrophobicContact CZ-CG2 4.05Å; F1518-P1565 PolarHBondContact N-O 3.27Å; F1518-I1566 HydrophobicContact CB-CG1 4.39Å; F1518-I1566 HydrophobicContact CD2-CG1 4.34Å; F1518-I1566 WeakPolarHBondContact O-CA 3.45Å; F1518-N1567 PolarHBondContact O-N 2.74Å |
| 1519 | T | 87.8 | Confident | 89.2 | Confident | 22 Ų | 22 | 44.5 Ų | 44.5 | 14% | 0.135 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 151.2 | 171.1 | 87.6 | 0 | 0 | 0 | 0 | 111.5 | F1511 E1512 L1517 D1521 N1567 | F1511-T1519 CarbonylContact C-O 3.24Å; F1511-T1519 VanDerWaalsContact CA-O 3.3Å; F1511-T1519 WeakPolarHBondContact CA-O 3.4Å; F1511-T1519 VanDerWaalsContact CD2-O 3.3Å; F1511-T1519 WeakPolarHBondContact CD2-O 3.47Å; E1512-T1519 PolarHBondContact N-O 3.42Å; E1512-T1519 PolarHBondContact O-N 3.03Å; L1517-T1519 HydrophobicContact CD2-CG2 3.89Å; L1517-T1519 HydrophobicContact CG-CG2 4.08Å; T1519-D1521 WeakPolarHBondContact CB-OD2 3.07Å; T1519-D1521 PolarHBondContact OG1-OD2 2.86Å; T1519-N1567 CarbonylContact C-O 3.54Å; T1519-N1567 WeakPolarHBondContact CA-O 3.45Å; T1519-N1567 HydrophobicContact CG2-CB 4.46Å |
| 1520 | L | 89.4 | Confident | 89.1 | Confident | 53 Ų | 53 | 47 Ų | 47 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 99.3 | 178.1 | -179.7 | 62 | 0 | 0 | 0 | 110.7 | V1509 V1510 F1511 N1567 S1568 N1569 L1570 | V1509-L1520 HydrophobicContact CB-CD1 4.2Å; V1509-L1520 HydrophobicContact CG2-CD1 4.12Å; V1510-L1520 CarbonylContact O-C 3.52Å; V1510-L1520 WeakPolarHBondContact O-CA 3.27Å; F1511-L1520 HydrophobicContact CB-CD1 4.11Å; F1511-L1520 HydrophobicContact CD2-CD1 4.46Å; L1520-N1567 PolarHBondContact N-O 3.43Å; L1520-S1568 WeakPolarHBondContact O-CA 3.1Å; L1520-S1568 WeakPolarHBondContact O-CB 3.03Å; L1520-N1569 PolarHBondContact O-N 2.71Å; L1520-L1570 HydrophobicContact CD2-CD1 4.07Å; L1520-L1570 HydrophobicContact CG-CD1 4.15Å; L1520-L1570 HydrophobicContact CG-CD2 4.34Å |
| 1521 | D | 87.6 | Confident | 88.6 | Confident | 56 Ų | 56 | 47.5 Ų | 47.5 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145.9 | -166.9 | -55.7 | -60.6 | 0 | 0 | 0 | 111.9 | V1509 V1510 T1519 N1569 | V1509-D1521 CarbonylContact C-O 3.44Å; V1509-D1521 WeakPolarHBondContact CA-O 3.46Å; V1510-D1521 PolarHBondContact N-O 3.24Å; V1510-D1521 PolarHBondContact O-N 2.87Å; T1519-D1521 WeakPolarHBondContact CB-OD2 3.07Å; T1519-D1521 PolarHBondContact OG1-OD2 2.86Å; D1521-N1569 WeakPolarHBondContact CA-O 3.3Å; D1521-N1569 WeakPolarHBondContact OD1-CB 3.43Å; D1521-N1569 PolarHBondContact OD1-N 3.42Å |
| 1522 | G | 90.5 | Very high | 87.7 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.2 | -146.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1569 L1570 I1571 | G1522-N1569 PolarHBondContact N-O 3.14Å; G1522-N1569 VanDerWaalsContact N-O 3.1Å; G1522-L1570 WeakPolarHBondContact O-CA 3.44Å; G1522-I1571 PolarHBondContact O-N 2.85Å |
| 1523 | R | 88.1 | Confident | 86.3 | Confident | 93 Ų | 93 | 44.3 Ų | 44.3 | 35% | 0.351 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144.3 | -176 | -172.9 | -179.8 | 174.2 | 90.8 | 1.7 | 112 | D1508 D1525 I1571 | D1508-R1523 PolarHBondContact N-O 2.9Å; D1508-R1523 PolarHBondContact O-N 3.38Å; R1523-D1525 IonicContact CZ-OD1 2.71Å; R1523-D1525 VanDerWaalsContact CZ-OD1 3.32Å; R1523-D1525 IonicContact CZ-OD2 3.66Å; R1523-D1525 IonicContact NE-OD1 2.68Å; R1523-D1525 PolarHBondContact NE-OD1 2.71Å; R1523-D1525 VanDerWaalsContact NE-OD1 3.12Å; R1523-D1525 IonicContact NE-OD2 2.62Å; R1523-D1525 PolarHBondContact NE-OD2 3.33Å; R1523-D1525 IonicContact NH2-OD1 2.7Å; R1523-D1525 PolarHBondContact NH2-OD1 2.64Å; R1523-I1571 CarbonylContact C-O 3.53Å; R1523-I1571 WeakPolarHBondContact CA-O 3.22Å; R1523-I1571 HydrophobicContact CG-CB 4.49Å; R1523-I1571 WeakPolarHBondContact CG-O 3.42Å |
| 1524 | V | 91.5 | Very high | 84.7 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 14% | 0.139 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 108.6 | 170.2 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | V1505 P1507 V1509 V1526 I1571 V1572 H1573 | V1505-V1524 HydrophobicContact CB-CG1 3.98Å; V1505-V1524 HydrophobicContact CG1-CG1 4.2Å; P1507-V1524 HydrophobicContact CB-CG2 4.4Å; V1509-V1524 HydrophobicContact CG1-CG2 3.83Å; V1524-V1526 HydrophobicContact CG1-CG2 4.32Å; V1524-I1571 PolarHBondContact N-O 2.92Å; V1524-V1572 HydrophobicContact CB-CG2 4.43Å; V1524-V1572 WeakPolarHBondContact O-CA 3.16Å; V1524-H1573 PolarHBondContact O-N 3.03Å |
| 1525 | D | 93.3 | Very high | 82.6 | Confident | 52 Ų | 52 | 53.5 Ų | 53.5 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.1 | 170.6 | -67.7 | -77.2 | 0 | 0 | 0 | 109.8 | S1506 R1523 P1527 H1573 | S1506-D1525 PolarHBondContact N-O 2.86Å; S1506-D1525 PolarHBondContact O-N 2.8Å; S1506-D1525 VanDerWaalsContact O-N 3.15Å; R1523-D1525 IonicContact CZ-OD1 2.71Å; R1523-D1525 VanDerWaalsContact CZ-OD1 3.32Å; R1523-D1525 IonicContact CZ-OD2 3.66Å; R1523-D1525 IonicContact NE-OD1 2.68Å; R1523-D1525 PolarHBondContact NE-OD1 2.71Å; R1523-D1525 VanDerWaalsContact NE-OD1 3.12Å; R1523-D1525 IonicContact NE-OD2 2.62Å; R1523-D1525 PolarHBondContact NE-OD2 3.33Å; R1523-D1525 IonicContact NH2-OD1 2.7Å; R1523-D1525 PolarHBondContact NH2-OD1 2.64Å; D1525-P1527 VanDerWaalsContact C-CD 3.42Å; D1525-P1527 WeakPolarHBondContact O-CD 3.34Å; D1525-H1573 WeakPolarHBondContact OD1-CB 3.34Å; D1525-H1573 IonicContact OD1-CD2 3.22Å; D1525-H1573 PolarHBondContact OD1-CD2 2.91Å; D1525-H1573 IonicContact OD1-CG 2.79Å |
| 1526 | V | 92.5 | Very high | 81.1 | Confident | 16 Ų | 16 | 55.2 Ų | 55.2 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 79.5 | -179.6 | -169.3 | 0 | 0 | 0 | 0 | 109.8 | M1503 V1505 V1524 W1528 A1529 V1572 H1573 G1575 V1578 | M1503-V1526 HydrophobicContact CB-CG1 4.4Å; V1505-V1526 HydrophobicContact CG1-CG2 4.32Å; V1524-V1526 HydrophobicContact CG1-CG2 4.32Å; V1526-W1528 VanDerWaalsContact C-N 3.29Å; V1526-W1528 PolarHBondContact O-N 2.82Å; V1526-A1529 HydrophobicContact CG1-CB 4.45Å; V1526-V1572 HydrophobicContact CG2-CG1 4.06Å; V1526-H1573 PolarHBondContact N-O 2.87Å; V1526-G1575 WeakPolarHBondContact O-CA 3.32Å; V1526-G1575 PolarHBondContact O-N 3.17Å; V1526-V1578 HydrophobicContact CB-CG2 4.47Å; V1526-V1578 HydrophobicContact CG1-CG2 3.89Å; V1526-V1578 WeakPolarHBondContact O-CG2 3.41Å |
| 1527 | P | 91.2 | Very high | 79.8 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 29% | 0.286 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | -22.8 | -177 | 24 | -35.8 | 0 | 0 | 0 | 115 | K1492 D1504 D1525 | K1492-P1527 HydrophobicContact CG-CG 4.07Å; D1504-P1527 VanDerWaalsContact O-CD 3.25Å; D1504-P1527 WeakPolarHBondContact O-CD 3.2Å; D1525-P1527 VanDerWaalsContact C-CD 3.42Å; D1525-P1527 WeakPolarHBondContact O-CD 3.34Å |
| 1528 | W | 93.5 | Very high | 78.2 | Confident | 52 Ų | 52 | 58.3 Ų | 58.3 | 20% | 0.197 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 140.9 | -178.5 | 178.1 | 91.9 | 0 | 0 | 0 | 111.4 | R1502 M1503 D1504 V1526 R1530 | R1502-W1528 HydrophobicContact CB-CH2 4.32Å; R1502-W1528 HydrophobicContact CB-CZ3 4.2Å; M1503-W1528 WeakPolarHBondContact CA-O 3.49Å; D1504-W1528 HydrophobicContact CB-CB 4.21Å; D1504-W1528 HydrophobicContact CB-CE3 4.37Å; D1504-W1528 PolarHBondContact N-O 2.88Å; V1526-W1528 VanDerWaalsContact C-N 3.29Å; V1526-W1528 PolarHBondContact O-N 2.82Å; W1528-R1530 HydrophobicContact CH2-CB 4.32Å; W1528-R1530 HydrophobicContact CH2-CG 3.82Å; W1528-R1530 HydrophobicContact CZ2-CB 4.38Å; W1528-R1530 HydrophobicContact CZ2-CG 3.41Å; W1528-R1530 VanDerWaalsContact CZ2-CG 3.41Å |
| 1529 | A | 91.9 | Very high | 76.4 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 157.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1502 M1503 V1526 N1577 V1578 R1579 | R1502-A1529 CarbonylContact O-C 3.38Å; R1502-A1529 VanDerWaalsContact O-CA 3.25Å; R1502-A1529 WeakPolarHBondContact O-CA 3.44Å; M1503-A1529 HydrophobicContact CB-CB 3.55Å; V1526-A1529 HydrophobicContact CG1-CB 4.45Å; A1529-N1577 PolarHBondContact N-O 2.98Å; A1529-V1578 HydrophobicContact CB-CB 4.4Å; A1529-V1578 HydrophobicContact CB-CG1 4.12Å; A1529-V1578 HydrophobicContact CB-CG2 4.02Å; A1529-R1579 PolarHBondContact O-N 3.07Å |
| 1530 | R | 91.1 | Very high | 75.4 | Confident | 70 Ų | 70 | 58.5 Ų | 58.5 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 96.4 | 167.9 | -62.1 | -64.8 | 176.5 | -97.1 | 1.9 | 107.2 | R1502 W1528 N1577 R1579 | R1502-R1530 PolarHBondContact N-O 2.97Å; R1502-R1530 PolarHBondContact O-N 3.01Å; W1528-R1530 HydrophobicContact CH2-CB 4.32Å; W1528-R1530 HydrophobicContact CH2-CG 3.82Å; W1528-R1530 HydrophobicContact CZ2-CB 4.38Å; W1528-R1530 HydrophobicContact CZ2-CG 3.41Å; W1528-R1530 VanDerWaalsContact CZ2-CG 3.41Å; R1530-N1577 PolarHBondContact NH1-O 2.84Å; R1530-N1577 PolarHBondContact NH1-OD1 3.41Å; R1530-N1577 PolarHBondContact NH2-OD1 2.86Å; R1530-R1579 WeakPolarHBondContact CA-O 3.34Å |
| 1531 | I | 84.4 | Confident | 74.6 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.195 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 127.2 | 171.2 | -59.1 | 160.3 | 0 | 0 | 0 | 106.6 | M1500 V1501 V1533 R1579 I1580 D1581 L1589 | M1500-I1531 CarbonylContact O-C 3.42Å; M1500-I1531 WeakPolarHBondContact O-CA 3.31Å; V1501-I1531 HydrophobicContact CG1-CG1 4.1Å; V1501-I1531 HydrophobicContact CG2-CG1 4.25Å; V1501-I1531 HydrophobicContact CG2-CG2 4.32Å; I1531-V1533 HydrophobicContact CG2-CG2 4.13Å; I1531-R1579 PolarHBondContact N-O 2.81Å; I1531-I1580 HydrophobicContact CB-CB 4.18Å; I1531-I1580 HydrophobicContact CB-CD1 4.49Å; I1531-I1580 HydrophobicContact CB-CG1 4.01Å; I1531-I1580 HydrophobicContact CG2-CD1 4Å; I1531-I1580 HydrophobicContact CG2-CG1 3.85Å; I1531-I1580 CarbonylContact O-C 3.57Å; I1531-I1580 WeakPolarHBondContact O-CA 3.43Å; I1531-D1581 PolarHBondContact O-N 2.83Å; I1531-L1589 HydrophobicContact CD1-CD1 4.49Å |
| 1532 | V | 74.2 | Confident | 74.2 | Confident | 41 Ų | 41 | 56.1 Ų | 56.1 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 99.5 | 176.5 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | M1500 H1534 D1581 | M1500-V1532 WeakPolarHBondContact CA-O 3.48Å; M1500-V1532 PolarHBondContact O-N 2.97Å; V1532-H1534 PolarHBondContact O-N 2.8Å; V1532-D1581 CarbonylContact C-O 3.53Å; V1532-D1581 VanDerWaalsContact CA-O 3.29Å; V1532-D1581 WeakPolarHBondContact CA-O 3.26Å; V1532-D1581 HydrophobicContact CG1-CB 4.48Å; V1532-D1581 HydrophobicContact CG2-CB 4.29Å |
| 1533 | V | 63.6 | Low | 73.6 | Confident | 25 Ų | 25 | 57 Ų | 57 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 99.9 | 176.5 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | M1500 I1531 D1581 A1582 F1583 | M1500-V1533 HydrophobicContact CE-CG1 4.17Å; M1500-V1533 HydrophobicContact CE-CG2 3.99Å; I1531-V1533 HydrophobicContact CG2-CG2 4.13Å; V1533-D1581 PolarHBondContact N-O 2.81Å; V1533-A1582 HydrophobicContact CB-CB 3.58Å; V1533-A1582 HydrophobicContact CG2-CB 3.64Å; V1533-F1583 HydrophobicContact CB-CE2 4.43Å; V1533-F1583 HydrophobicContact CG1-CD2 4.49Å; V1533-F1583 HydrophobicContact CG1-CE1 4.22Å; V1533-F1583 HydrophobicContact CG1-CE2 3.76Å; V1533-F1583 HydrophobicContact CG1-CZ 3.6Å |
| 1534 | H | 54.7 | Low | 73.2 | Confident | 106 Ų | 106 | 52.9 Ų | 52.9 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | trans | -66.8 | 149.7 | 163.6 | -67.4 | -69.9 | 0 | 0 | 0 | 110.1 | V1532 L1536 | V1532-H1534 PolarHBondContact O-N 2.8Å; H1534-L1536 PolarHBondContact O-N 2.86Å | ||
| 1535 | D | 43.7 | Very low | 72.3 | Confident | 114 Ų | 114 | 55.9 Ų | 55.9 | 61% | 0.61 | 32% | 0.315 | S | S | * | . | trans | -66.6 | 88.5 | -173.2 | -58.6 | -55.2 | 0 | 0 | 0 | 112.2 | P1537 | D1535-P1537 VanDerWaalsContact O-CD 3.23Å; D1535-P1537 WeakPolarHBondContact O-CD 3.43Å | ||
| 1536 | L | 47.4 | Very low | 71.8 | Confident | 71 Ų | 71 | 54.5 Ų | 54.5 | 37% | 0.372 | 31% | 0.308 | S | S | . | . | trans | -63.8 | 111.9 | 139.9 | -77.3 | 170.1 | 0 | 0 | 0 | 106 | T27 H1534 A1540 | T27-L1536 HydrophobicContact CG2-CD2 4.45Å; H1534-L1536 PolarHBondContact O-N 2.86Å; L1536-A1540 HydrophobicContact CD2-CB 4.12Å | ||
| 1537 | P | 49 | Very low | 71.5 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | trans | -63.9 | 143.8 | 169.7 | 29.2 | -34.1 | 0 | 0 | 0 | 108.3 | A23 D1535 S1539 A1540 | A23-P1537 HydrophobicContact CB-CG 4.01Å; D1535-P1537 VanDerWaalsContact O-CD 3.23Å; D1535-P1537 WeakPolarHBondContact O-CD 3.43Å; P1537-S1539 PolarHBondContact O-N 3.41Å; P1537-A1540 WeakPolarHBondContact O-CB 3.32Å; P1537-A1540 PolarHBondContact O-N 2.85Å | ||
| 1538 | E | 48.5 | Very low | 71.2 | Confident | 206 Ų | 206 | 53.7 Ų | 53.7 | 96% | 0.963 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -18.2 | 179.7 | -62.5 | 176.5 | 142.5 | 0 | 0 | 113.5 | A1540 | E1538-A1540 PolarHBondContact O-N 2.85Š|
| 1539 | S | 51.4 | Low | 70.8 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 11.1 | 172.1 | 72 | 0 | 0 | 0 | 0 | 114.9 | Q16 P1537 | Q16-S1539 PolarHBondContact NE2-O 2.67Å; P1537-S1539 PolarHBondContact O-N 3.41Å |
| 1540 | A | 65.3 | Low | 70.5 | Confident | 36 Ų | 36 | 55.2 Ų | 55.2 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | trans | -86.3 | 120.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | N20 A23 L1536 P1537 E1538 | N20-A1540 WeakPolarHBondContact OD1-CA 3.42Å; A23-A1540 HydrophobicContact CB-CB 3.77Å; L1536-A1540 HydrophobicContact CD2-CB 4.12Å; P1537-A1540 WeakPolarHBondContact O-CB 3.32Å; P1537-A1540 PolarHBondContact O-N 2.85Å; E1538-A1540 PolarHBondContact O-N 2.85Å | ||
| 1541 | V | 73.8 | Confident | 69.9 | Low | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | trans | -112.2 | 121.8 | -175.7 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | N20 A53 L54 N120 | N20-V1541 PolarHBondContact ND2-O 3.14Å; N20-V1541 PolarHBondContact OD1-N 2.9Å; N20-V1541 PolarHBondContact OD1-O 2.76Å; A53-V1541 HydrophobicContact CB-CB 4.22Å; A53-V1541 HydrophobicContact CB-CG1 3.97Å; A53-V1541 WeakPolarHBondContact CB-O 3.34Å; L54-V1541 HydrophobicContact CD2-CB 4.1Å; L54-V1541 HydrophobicContact CD2-CG1 4.37Å; L54-V1541 HydrophobicContact CD2-CG2 3.92Å; N120-V1541 WeakPolarHBondContact OD1-CG1 3.4Å | ||
| 1542 | G | 78.1 | Confident | 69.5 | Low | 42 Ų | 42 | 57 Ų | 57 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 172.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A53 | A53-G1542 WeakPolarHBondContact CB-O 3.42Š|
| 1543 | V | 77.7 | Confident | 69.7 | Low | 49 Ų | 49 | 61.4 Ų | 61.4 | 30% | 0.297 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 135.6 | 169.5 | 174.2 | 0 | 0 | 0 | 0 | 109.3 | E49 K52 A53 V1547 | E49-V1543 HydrophobicContact CB-CG2 4.27Å; E49-V1543 WeakPolarHBondContact O-CG2 3.25Å; E49-V1543 WeakPolarHBondContact OE2-CB 3.41Å; E49-V1543 VanDerWaalsContact OE2-CG2 3.28Å; E49-V1543 WeakPolarHBondContact OE2-CG2 3.45Å; K52-V1543 HydrophobicContact CB-CG2 3.68Å; K52-V1543 HydrophobicContact CD-CG2 4.46Å; A53-V1543 HydrophobicContact CB-CG2 4.03Å; V1543-V1547 HydrophobicContact CG1-CG2 4.23Å |
| 1544 | S | 81.4 | Confident | 70.4 | Confident | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 147 | 178.6 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | Y124 E125 D1546 | Y124-S1544 WeakPolarHBondContact CE1-OG 3.17Å; E125-S1544 WeakPolarHBondContact OE1-CB 3.19Å; E125-S1544 PolarHBondContact OE1-OG 2.84Å; S1544-D1546 PolarHBondContact O-N 2.93Å; S1544-D1546 PolarHBondContact OG-N 2.68Å; S1544-D1546 VanDerWaalsContact OG-N 3.14Å |
| 1545 | S | 71.1 | Confident | 71.4 | Confident | 87 Ų | 87 | 64.8 Ų | 64.8 | 61% | 0.608 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.4 | 168.3 | 41.2 | 0 | 0 | 0 | 0 | 113 | V1547 | S1545-V1547 VanDerWaalsContact C-N 3.3Å; S1545-V1547 PolarHBondContact O-N 2.96Å |
| 1546 | D | 84.3 | Confident | 72.6 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 12% | 0.118 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 3.4 | -162.9 | -56.8 | 11.1 | 0 | 0 | 0 | 113 | Y124 K128 A148 L150 S1544 V1548 | Y124-D1546 HydrophobicContact CE1-CB 3.79Å; Y124-D1546 VanDerWaalsContact CE1-OD2 3.26Å; Y124-D1546 WeakPolarHBondContact CE1-OD2 3.45Å; Y124-D1546 VanDerWaalsContact OH-CB 3.26Å; Y124-D1546 WeakPolarHBondContact OH-CB 3.31Å; Y124-D1546 PolarHBondContact OH-OD2 3.07Å; K128-D1546 WeakPolarHBondContact CD-OD2 3.34Å; K128-D1546 WeakPolarHBondContact CE-OD2 3.18Å; K128-D1546 IonicContact NZ-OD1 2.72Å; K128-D1546 PolarHBondContact NZ-OD1 2.88Å; K128-D1546 IonicContact NZ-OD2 2.77Å; K128-D1546 PolarHBondContact NZ-OD2 2.94Å; A148-D1546 WeakPolarHBondContact CB-OD2 3.44Å; L150-D1546 PolarHBondContact N-O 2.93Å; S1544-D1546 PolarHBondContact O-N 2.93Å; S1544-D1546 PolarHBondContact OG-N 2.68Å; S1544-D1546 VanDerWaalsContact OG-N 3.14Å; D1546-V1548 PolarHBondContact O-N 2.78Å; D1546-V1548 VanDerWaalsContact O-N 3.09Å |
| 1547 | V | 85.5 | Confident | 73.3 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 12% | 0.121 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 111.9 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | Y57 Q121 L150 I152 V1543 S1545 M1549 | Y57-V1547 HydrophobicContact CE1-CG1 4.35Å; Q121-V1547 VanDerWaalsContact OE1-CG2 3.31Å; L150-V1547 HydrophobicContact CD2-CG2 4.04Å; L150-V1547 HydrophobicContact CG-CG2 4.45Å; L150-V1547 WeakPolarHBondContact O-CA 3.26Å; I152-V1547 HydrophobicContact CG1-CG1 3.85Å; V1543-V1547 HydrophobicContact CG1-CG2 4.23Å; S1545-V1547 VanDerWaalsContact C-N 3.3Å; S1545-V1547 PolarHBondContact O-N 2.96Å; V1547-M1549 HydrophobicContact CG1-SD 3.95Å |
| 1548 | V | 84 | Confident | 73.3 | Confident | 24 Ų | 24 | 71.3 Ų | 71.3 | 15% | 0.145 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.9 | 172.5 | 177.4 | 0 | 0 | 0 | 0 | 107.6 | Q149 L150 G151 I152 D1546 L1550 P1556 | Q149-V1548 HydrophobicContact CB-CG2 4.3Å; Q149-V1548 HydrophobicContact CG-CG2 4.08Å; L150-V1548 PolarHBondContact O-N 2.86Å; G151-V1548 CarbonylContact C-O 3.43Å; G151-V1548 WeakPolarHBondContact CA-O 3.27Å; I152-V1548 PolarHBondContact N-O 2.67Å; D1546-V1548 PolarHBondContact O-N 2.78Å; D1546-V1548 VanDerWaalsContact O-N 3.09Å; V1548-L1550 HydrophobicContact CG1-CD2 4.21Å; V1548-P1556 HydrophobicContact CG1-CB 3.78Å; V1548-P1556 HydrophobicContact CG1-CG 4.1Å |
| 1549 | M | 85.1 | Confident | 73.1 | Confident | 64 Ų | 64 | 66 Ų | 66 | 32% | 0.315 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129.9 | 176.9 | -54.2 | -55.6 | -72.2 | 0 | 0 | 109.1 | Y57 I152 L154 V1547 P1556 E1557 | Y57-M1549 HydrophobicContact CD1-CE 4.46Å; I152-M1549 HydrophobicContact CB-SD 4.23Å; I152-M1549 HydrophobicContact CG2-CE 4.36Å; L154-M1549 HydrophobicContact CD1-CE 3.43Å; L154-M1549 VanDerWaalsContact CD1-CE 3.43Å; L154-M1549 HydrophobicContact CD2-CE 4.19Å; L154-M1549 HydrophobicContact CG-CE 3.61Å; V1547-M1549 HydrophobicContact CG1-SD 3.95Å; M1549-P1556 WeakPolarHBondContact O-CA 3.33Å; M1549-E1557 PolarHBondContact O-N 2.96Å |
| 1550 | L | 85.8 | Confident | 73 | Confident | 22 Ų | 22 | 71.8 Ų | 71.8 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 140.1 | 177.9 | -55.4 | -178.8 | 0 | 0 | 0 | 110 | I152 A153 F160 V1548 L1554 Q1555 P1556 | I152-L1550 PolarHBondContact O-N 2.65Å; A153-L1550 HydrophobicContact CB-CB 4.08Å; F160-L1550 HydrophobicContact CD2-CD1 4.17Å; V1548-L1550 HydrophobicContact CG1-CD2 4.21Å; L1550-L1554 HydrophobicContact CD1-CB 4.45Å; L1550-L1554 HydrophobicContact CD1-CD2 4.14Å; L1550-Q1555 WeakPolarHBondContact CA-O 3.18Å; L1550-P1556 HydrophobicContact CD2-CB 4.42Å; L1550-P1556 HydrophobicContact CD2-CG 4Å |
| 1551 | N | 79.5 | Confident | 71.9 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 24% | 0.241 | 42% | 0.42 | C | S | . | . | trans | -74.1 | 175.3 | 167.3 | 66.3 | 35.1 | 0 | 0 | 0 | 111.4 | N1553 L1554 Q1555 E1557 | N1551-N1553 PolarHBondContact O-N 2.85Å; N1551-N1553 WeakPolarHBondContact OD1-CA 3.43Å; N1551-N1553 WeakPolarHBondContact OD1-CB 3.23Å; N1551-N1553 PolarHBondContact OD1-N 2.82Å; N1551-L1554 WeakPolarHBondContact O-CA 3.26Å; N1551-L1554 PolarHBondContact O-N 2.83Å; N1551-Q1555 VanDerWaalsContact CG-O 3.28Å; N1551-Q1555 PolarHBondContact N-O 2.83Å; N1551-Q1555 PolarHBondContact ND2-O 3.3Å; N1551-Q1555 PolarHBondContact OD1-N 2.76Å; N1551-Q1555 VanDerWaalsContact OD1-N 3.16Å; N1551-Q1555 PolarHBondContact OD1-O 3.39Å; N1551-E1557 HydrophobicContact CB-CG 4.33Å | ||
| 1552 | D | 75.8 | Confident | 70.6 | Confident | 102 Ų | 102 | 80.4 Ų | 80.4 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -12.7 | -177 | -68.9 | -34.4 | 0 | 0 | 0 | 114.4 | G155 L1554 | G155-D1552 WeakPolarHBondContact CA-OD1 2.95Å; D1552-L1554 VanDerWaalsContact C-N 3.34Å |
| 1553 | N | 79.1 | Confident | 69.7 | Low | 133 Ų | 133 | 83.6 Ų | 83.6 | 71% | 0.711 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 11.8 | 171.9 | -64.3 | -28.6 | 0 | 0 | 0 | 112.9 | N1551 Q1555 | N1551-N1553 PolarHBondContact O-N 2.85Å; N1551-N1553 WeakPolarHBondContact OD1-CA 3.43Å; N1551-N1553 WeakPolarHBondContact OD1-CB 3.23Å; N1551-N1553 PolarHBondContact OD1-N 2.82Å; N1553-Q1555 PolarHBondContact O-N 2.99Å |
| 1554 | L | 78.3 | Confident | 69.2 | Low | 79 Ų | 79 | 83.9 Ų | 83.9 | 41% | 0.414 | 47% | 0.469 | S | S | . | . | S | Bend | trans | 60.7 | 18.7 | -175.5 | -56.9 | 180 | 0 | 0 | 0 | 115.2 | A153 L156 F160 L1550 N1551 D1552 | A153-L1554 HydrophobicContact CB-CD2 3.69Å; L156-L1554 HydrophobicContact CD1-CD2 3.67Å; L156-L1554 HydrophobicContact CD1-CG 4.27Å; F160-L1554 HydrophobicContact CD2-CD2 4.23Å; F160-L1554 HydrophobicContact CE2-CD1 4.34Å; F160-L1554 HydrophobicContact CE2-CD2 3.47Å; F160-L1554 VanDerWaalsContact CE2-CD2 3.47Å; F160-L1554 HydrophobicContact CZ-CD1 4.01Å; F160-L1554 HydrophobicContact CZ-CD2 3.91Å; L1550-L1554 HydrophobicContact CD1-CB 4.45Å; L1550-L1554 HydrophobicContact CD1-CD2 4.14Å; N1551-L1554 WeakPolarHBondContact O-CA 3.26Å; N1551-L1554 PolarHBondContact O-N 2.83Å; D1552-L1554 VanDerWaalsContact C-N 3.34Å |
| 1555 | Q | 74.5 | Confident | 68.5 | Low | 123 Ų | 123 | 85.6 Ų | 85.6 | 58% | 0.575 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -91.7 | 142 | 173.5 | -64.2 | -178.8 | -5 | 0 | 0 | 110.5 | L1550 N1551 N1553 E1557 | L1550-Q1555 WeakPolarHBondContact CA-O 3.18Å; N1551-Q1555 VanDerWaalsContact CG-O 3.28Å; N1551-Q1555 PolarHBondContact N-O 2.83Å; N1551-Q1555 PolarHBondContact ND2-O 3.3Å; N1551-Q1555 PolarHBondContact OD1-N 2.76Å; N1551-Q1555 VanDerWaalsContact OD1-N 3.16Å; N1551-Q1555 PolarHBondContact OD1-O 3.39Å; N1553-Q1555 PolarHBondContact O-N 2.99Å; Q1555-E1557 PolarHBondContact O-N 3.27Å |
| 1556 | P | 69.9 | Low | 68.7 | Low | 63 Ų | 63 | 85 Ų | 85 | 41% | 0.409 | 47% | 0.469 | S | S | . | . | B | Isolated β-bridge | trans | -56.8 | 132.3 | 173.4 | -27.1 | 36 | 0 | 0 | 0 | 112.9 | V1548 M1549 L1550 | V1548-P1556 HydrophobicContact CG1-CB 3.78Å; V1548-P1556 HydrophobicContact CG1-CG 4.1Å; M1549-P1556 WeakPolarHBondContact O-CA 3.33Å; L1550-P1556 HydrophobicContact CD2-CB 4.42Å; L1550-P1556 HydrophobicContact CD2-CG 4Å |
| 1557 | E | 60.5 | Low | 68.6 | Low | 122 Ų | 122 | 86.6 Ų | 86.6 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -70.9 | 145.8 | 153.1 | -58.5 | -171.4 | 155.5 | 0 | 0 | 108 | M1549 N1551 Q1555 | M1549-E1557 PolarHBondContact O-N 2.96Å; N1551-E1557 HydrophobicContact CB-CG 4.33Å; Q1555-E1557 PolarHBondContact O-N 3.27Å |
| 1558 | E | 48.9 | Very low | 68.4 | Low | 193 Ų | 193 | 85.9 Ų | 85.9 | 90% | 0.902 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -40.9 | 122.3 | -153.7 | -71.5 | -168.8 | 143.8 | 0 | 0 | 114.9 | ||
| 1559 | P | 46.3 | Very low | 68.3 | Low | 93 Ų | 93 | 88.6 Ų | 88.6 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 141.6 | -169.1 | 27.1 | -35.4 | 0 | 0 | 0 | 112 | T1561 | P1559-T1561 PolarHBondContact O-N 2.9Š|
| 1560 | K | 47.5 | Very low | 68.4 | Low | 165 Ų | 165 | 86.7 Ų | 86.7 | 72% | 0.717 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 130.5 | 165.9 | -68.6 | 173.9 | -174.5 | 158.9 | 0 | 108.8 | A1562 | K1560-A1562 PolarHBondContact O-N 2.8Š|
| 1561 | T | 43 | Very low | 68.4 | Low | 136 Ų | 136 | 89.4 Ų | 89.4 | 83% | 0.834 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 131.1 | 173.8 | 51.6 | 0 | 0 | 0 | 0 | 110.4 | P1559 S1563 | P1559-T1561 PolarHBondContact O-N 2.9Å; T1561-S1563 PolarHBondContact O-N 3.38Å |
| 1562 | A | 46.9 | Very low | 68.9 | Low | 99 Ų | 99 | 88.6 Ų | 88.6 | 82% | 0.818 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 129.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K1560 | K1560-A1562 PolarHBondContact O-N 2.8Š|
| 1563 | S | 58.7 | Low | 69.7 | Low | 108 Ų | 108 | 86.6 Ų | 86.6 | 76% | 0.755 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 132.6 | 177.8 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | T1561 | T1561-S1563 PolarHBondContact O-N 3.38Š|
| 1564 | I | 66.8 | Low | 70.2 | Confident | 56 Ų | 56 | 81.1 Ų | 81.1 | 29% | 0.287 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 124.5 | 172.9 | -61.4 | 174.4 | 0 | 0 | 0 | 108.2 | P1515 F1518 | P1515-I1564 WeakPolarHBondContact O-CD1 3.4Å; P1515-I1564 WeakPolarHBondContact O-CG1 3.15Å; F1518-I1564 HydrophobicContact CD1-CB 4.49Å; F1518-I1564 HydrophobicContact CD1-CG2 3.7Å; F1518-I1564 HydrophobicContact CD2-CB 4.42Å; F1518-I1564 HydrophobicContact CD2-CG2 4.26Å; F1518-I1564 HydrophobicContact CE1-CB 4.17Å; F1518-I1564 HydrophobicContact CE1-CD1 3.77Å; F1518-I1564 HydrophobicContact CE1-CG2 3.73Å; F1518-I1564 HydrophobicContact CE2-CB 4.1Å; F1518-I1564 HydrophobicContact CE2-CG2 4.3Å; F1518-I1564 HydrophobicContact CG-CG2 3.98Å; F1518-I1564 HydrophobicContact CZ-CB 3.98Å; F1518-I1564 HydrophobicContact CZ-CD1 3.66Å; F1518-I1564 HydrophobicContact CZ-CG1 4.37Å; F1518-I1564 HydrophobicContact CZ-CG2 4.05Å |
| 1565 | P | 67.7 | Low | 70.7 | Confident | 42 Ų | 42 | 77.8 Ų | 77.8 | 27% | 0.273 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 147.7 | -175.2 | 25.6 | -34.5 | 0 | 0 | 0 | 111.4 | N1516 L1517 F1518 K1599 | N1516-P1565 WeakPolarHBondContact O-CD 3.34Å; N1516-P1565 VanDerWaalsContact O-CG 3.26Å; N1516-P1565 WeakPolarHBondContact O-CG 2.96Å; L1517-P1565 HydrophobicContact CD1-CB 4.49Å; L1517-P1565 HydrophobicContact CD1-CG 4.19Å; F1518-P1565 PolarHBondContact N-O 3.27Å; P1565-K1599 HydrophobicContact CB-CG 4.42Å |
| 1566 | I | 75.2 | Confident | 71.1 | Confident | 75 Ų | 75 | 77.9 Ų | 77.9 | 39% | 0.385 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.9 | 178.6 | -56.1 | 174.7 | 0 | 0 | 0 | 108.5 | F1518 | F1518-I1566 HydrophobicContact CB-CG1 4.39Å; F1518-I1566 HydrophobicContact CD2-CG1 4.34Å; F1518-I1566 WeakPolarHBondContact O-CA 3.45Å |
| 1567 | N | 81.4 | Confident | 72.1 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 145.2 | 167.9 | -174.1 | 6.5 | 0 | 0 | 0 | 108.6 | L1517 F1518 T1519 L1520 Q1597 | L1517-N1567 HydrophobicContact CD1-CB 4.05Å; F1518-N1567 PolarHBondContact O-N 2.74Å; T1519-N1567 CarbonylContact C-O 3.54Å; T1519-N1567 WeakPolarHBondContact CA-O 3.45Å; T1519-N1567 HydrophobicContact CG2-CB 4.46Å; L1520-N1567 PolarHBondContact N-O 3.43Å; N1567-Q1597 CarbonylContact C-O 3.45Å; N1567-Q1597 VanDerWaalsContact CA-O 3.22Å; N1567-Q1597 WeakPolarHBondContact CA-O 3.05Å; N1567-Q1597 PolarHBondContact OD1-O 2.79Å |
| 1568 | S | 81.1 | Confident | 73.6 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 3% | 0.028 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 135.5 | 176.7 | 71.9 | 0 | 0 | 0 | 0 | 112.4 | L1520 V1596 Q1597 | L1520-S1568 WeakPolarHBondContact O-CA 3.1Å; L1520-S1568 WeakPolarHBondContact O-CB 3.03Å; S1568-V1596 CarbonylContact O-C 3.6Å; S1568-V1596 VanDerWaalsContact O-CA 3.29Å; S1568-V1596 WeakPolarHBondContact O-CA 3.21Å; S1568-Q1597 PolarHBondContact N-O 2.8Å; S1568-Q1597 PolarHBondContact O-N 2.84Å; S1568-Q1597 WeakPolarHBondContact OG-CB 3.24Å; S1568-Q1597 PolarHBondContact OG-N 2.79Å |
| 1569 | N | 83.6 | Confident | 75.7 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 43% | 0.433 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 92 | 171.1 | -164.5 | 9.1 | 0 | 0 | 0 | 109.8 | L1520 D1521 G1522 N1594 | L1520-N1569 PolarHBondContact O-N 2.71Å; D1521-N1569 WeakPolarHBondContact CA-O 3.3Å; D1521-N1569 WeakPolarHBondContact OD1-CB 3.43Å; D1521-N1569 PolarHBondContact OD1-N 3.42Å; G1522-N1569 PolarHBondContact N-O 3.14Å; G1522-N1569 VanDerWaalsContact N-O 3.1Å; N1569-N1594 PolarHBondContact OD1-ND2 2.93Å; N1569-N1594 PolarHBondContact OD1-OD1 2.87Å |
| 1570 | L | 86.7 | Confident | 77.8 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 113.9 | -171.6 | -68.1 | 173.1 | 0 | 0 | 0 | 112.3 | V1509 L1520 G1522 V1572 V1595 | V1509-L1570 HydrophobicContact CB-CD2 4.35Å; V1509-L1570 HydrophobicContact CG1-CD2 3.61Å; L1520-L1570 HydrophobicContact CD2-CD1 4.07Å; L1520-L1570 HydrophobicContact CG-CD1 4.15Å; L1520-L1570 HydrophobicContact CG-CD2 4.34Å; G1522-L1570 WeakPolarHBondContact O-CA 3.44Å; L1570-V1572 PolarHBondContact O-N 2.81Å; L1570-V1595 HydrophobicContact CB-CB 4.21Å; L1570-V1595 PolarHBondContact N-O 2.86Å; L1570-V1595 PolarHBondContact O-N 2.86Å |
| 1571 | I | 86.1 | Confident | 79.5 | Confident | 79 Ų | 79 | 60.7 Ų | 60.7 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 110.1 | 172.9 | -60 | 172.3 | 0 | 0 | 0 | 109 | G1522 R1523 V1524 N1594 | G1522-I1571 PolarHBondContact O-N 2.85Å; R1523-I1571 CarbonylContact C-O 3.53Å; R1523-I1571 WeakPolarHBondContact CA-O 3.22Å; R1523-I1571 HydrophobicContact CG-CB 4.49Å; R1523-I1571 WeakPolarHBondContact CG-O 3.42Å; V1524-I1571 PolarHBondContact N-O 2.92Å; I1571-N1594 VanDerWaalsContact CG1-OD1 3.27Å; I1571-N1594 WeakPolarHBondContact CG1-OD1 3.38Å |
| 1572 | V | 89.6 | Confident | 81 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 17% | 0.17 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.6 | -179.7 | 177 | 0 | 0 | 0 | 0 | 110.5 | V1524 V1526 L1570 V1574 L1593 V1595 | V1524-V1572 HydrophobicContact CB-CG2 4.43Å; V1524-V1572 WeakPolarHBondContact O-CA 3.16Å; V1526-V1572 HydrophobicContact CG2-CG1 4.06Å; L1570-V1572 PolarHBondContact O-N 2.81Å; V1572-V1574 HydrophobicContact CG1-CG2 4.35Å; V1572-L1593 HydrophobicContact CB-CB 4.46Å; V1572-L1593 PolarHBondContact N-O 2.96Å; V1572-L1593 PolarHBondContact O-N 3.45Å; V1572-V1595 HydrophobicContact CB-CG2 4.26Å; V1572-V1595 HydrophobicContact CG2-CG2 3.56Å |
| 1573 | H | 91.9 | Very high | 81.9 | Confident | 61 Ų | 61 | 55.7 Ų | 55.7 | 28% | 0.282 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 115.6 | 177.6 | 177.4 | 73 | 0 | 0 | 0 | 111.1 | V1524 D1525 V1526 G1575 D1592 | V1524-H1573 PolarHBondContact O-N 3.03Å; D1525-H1573 WeakPolarHBondContact OD1-CB 3.34Å; D1525-H1573 IonicContact OD1-CD2 3.22Å; D1525-H1573 PolarHBondContact OD1-CD2 2.91Å; D1525-H1573 IonicContact OD1-CG 2.79Å; V1526-H1573 PolarHBondContact N-O 2.87Å; H1573-G1575 PolarHBondContact O-N 3.24Å; H1573-D1592 IonicContact CE1-OD1 2.66Å; H1573-D1592 IonicContact CG-OD1 2.7Å; H1573-D1592 IonicContact ND1-OD1 2.62Å; H1573-D1592 PolarHBondContact ND1-OD1 2.81Å; H1573-D1592 IonicContact ND1-OD2 3.32Å |
| 1574 | V | 90 | Very high | 82.4 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 11% | 0.109 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 101.9 | -176.4 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | V1572 V1578 L1589 T1590 G1591 I1608 | V1572-V1574 HydrophobicContact CG1-CG2 4.35Å; V1574-V1578 HydrophobicContact CG1-CB 3.82Å; V1574-V1578 HydrophobicContact CG1-CG1 3.89Å; V1574-V1578 HydrophobicContact CG1-CG2 3.86Å; V1574-L1589 HydrophobicContact CG1-CB 4.09Å; V1574-T1590 WeakPolarHBondContact O-CA 3.49Å; V1574-G1591 PolarHBondContact N-O 2.76Å; V1574-G1591 PolarHBondContact O-N 3.1Å; V1574-I1608 HydrophobicContact CB-CD1 3.86Å; V1574-I1608 HydrophobicContact CG1-CD1 4.32Å; V1574-I1608 HydrophobicContact CG2-CD1 3.53Å |
| 1575 | G | 88.3 | Confident | 83.2 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 8% | 0.082 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 167.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1526 H1573 N1577 V1578 | V1526-G1575 WeakPolarHBondContact O-CA 3.32Å; V1526-G1575 PolarHBondContact O-N 3.17Å; H1573-G1575 PolarHBondContact O-N 3.24Å; G1575-N1577 PolarHBondContact O-N 3.35Å; G1575-V1578 PolarHBondContact O-N 2.88Å |
| 1576 | N | 82.7 | Confident | 84.2 | Confident | 125 Ų | 125 | 53.4 Ų | 53.4 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.3 | -6.1 | -168.6 | -85.4 | -59.9 | 0 | 0 | 0 | 118.1 | R1588 T1590 | N1576-R1588 WeakPolarHBondContact O-CD 3.37Å; N1576-R1588 PolarHBondContact O-NH1 2.85Å; N1576-R1588 PolarHBondContact OD1-NH1 3.22Å; N1576-T1590 WeakPolarHBondContact OD1-CG2 3.31Å |
| 1577 | N | 91.3 | Very high | 84.9 | Confident | 72 Ų | 72 | 50 Ų | 50 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 24.4 | -178.7 | -158.7 | -9.1 | 0 | 0 | 0 | 113.4 | A1529 R1530 G1575 | A1529-N1577 PolarHBondContact N-O 2.98Å; R1530-N1577 PolarHBondContact NH1-O 2.84Å; R1530-N1577 PolarHBondContact NH1-OD1 3.41Å; R1530-N1577 PolarHBondContact NH2-OD1 2.86Å; G1575-N1577 PolarHBondContact O-N 3.35Å |
| 1578 | V | 92.3 | Very high | 85.5 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 130.6 | 165.5 | 170.1 | 0 | 0 | 0 | 0 | 109.5 | V1526 A1529 V1574 G1575 R1588 L1589 | V1526-V1578 HydrophobicContact CB-CG2 4.47Å; V1526-V1578 HydrophobicContact CG1-CG2 3.89Å; V1526-V1578 WeakPolarHBondContact O-CG2 3.41Å; A1529-V1578 HydrophobicContact CB-CB 4.4Å; A1529-V1578 HydrophobicContact CB-CG1 4.12Å; A1529-V1578 HydrophobicContact CB-CG2 4.02Å; V1574-V1578 HydrophobicContact CG1-CB 3.82Å; V1574-V1578 HydrophobicContact CG1-CG1 3.89Å; V1574-V1578 HydrophobicContact CG1-CG2 3.86Å; G1575-V1578 PolarHBondContact O-N 2.88Å; V1578-R1588 CarbonylContact O-C 3.47Å; V1578-R1588 WeakPolarHBondContact O-CA 3.46Å; V1578-R1588 VanDerWaalsContact O-CG 3.29Å; V1578-R1588 WeakPolarHBondContact O-CG 3.37Å; V1578-L1589 HydrophobicContact CB-CB 4.4Å; V1578-L1589 HydrophobicContact CG1-CB 3.85Å; V1578-L1589 HydrophobicContact CG1-CD1 4.1Å; V1578-L1589 HydrophobicContact CG1-CG 4.28Å; V1578-L1589 PolarHBondContact O-N 3.49Å |
| 1579 | R | 93.6 | Very high | 85.9 | Confident | 106 Ų | 106 | 50.4 Ų | 50.4 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 150.1 | 174.5 | -71.3 | -175.5 | 170 | 168.5 | -2.2 | 111.7 | A1529 R1530 I1531 A1587 R1588 E1612 | A1529-R1579 PolarHBondContact O-N 3.07Å; R1530-R1579 WeakPolarHBondContact CA-O 3.34Å; I1531-R1579 PolarHBondContact N-O 2.81Å; R1579-A1587 CarbonylContact C-O 3.48Å; R1579-A1587 WeakPolarHBondContact CA-O 3.25Å; R1579-A1587 VanDerWaalsContact CB-O 3.29Å; R1579-A1587 WeakPolarHBondContact CB-O 3.5Å; R1579-R1588 HydrophobicContact CG-CB 4.03Å; R1579-R1588 HydrophobicContact CG-CG 4.09Å; R1579-E1612 IonicContact CZ-OE1 2.65Å; R1579-E1612 IonicContact NE-OE1 2.79Å; R1579-E1612 IonicContact NH2-OE1 3.87Å; R1579-E1612 PolarHBondContact NH2-OE1 3.27Å |
| 1580 | I | 89 | Confident | 86.2 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 19% | 0.185 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.2 | 177.8 | -174.1 | 162.6 | 0 | 0 | 0 | 110.5 | I1531 A1582 L1585 K1586 A1587 L1589 | I1531-I1580 HydrophobicContact CB-CB 4.18Å; I1531-I1580 HydrophobicContact CB-CD1 4.49Å; I1531-I1580 HydrophobicContact CB-CG1 4.01Å; I1531-I1580 HydrophobicContact CG2-CD1 4Å; I1531-I1580 HydrophobicContact CG2-CG1 3.85Å; I1531-I1580 CarbonylContact O-C 3.57Å; I1531-I1580 WeakPolarHBondContact O-CA 3.43Å; I1580-A1582 HydrophobicContact CD1-CB 3.79Å; I1580-A1582 HydrophobicContact CG1-CB 3.61Å; I1580-L1585 CarbonylContact C-O 3.35Å; I1580-K1586 CarbonylContact O-C 3.41Å; I1580-K1586 VanDerWaalsContact O-CA 3.27Å; I1580-K1586 WeakPolarHBondContact O-CA 3.37Å; I1580-A1587 HydrophobicContact CG2-CB 3.82Å; I1580-A1587 PolarHBondContact N-O 2.86Å; I1580-A1587 PolarHBondContact O-N 2.87Å; I1580-L1589 HydrophobicContact CB-CD1 4.23Å; I1580-L1589 HydrophobicContact CG2-CD1 4.07Å; I1580-L1589 HydrophobicContact CG2-CD2 4.02Å; I1580-L1589 HydrophobicContact CG2-CG 4.08Å |
| 1581 | D | 82.7 | Confident | 86.3 | Confident | 55 Ų | 55 | 46.9 Ų | 46.9 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 84.4 | 176 | -163.6 | -21 | 0 | 0 | 0 | 107.4 | I1531 V1532 V1533 L1585 K1586 | I1531-D1581 PolarHBondContact O-N 2.83Å; V1532-D1581 CarbonylContact C-O 3.53Å; V1532-D1581 VanDerWaalsContact CA-O 3.29Å; V1532-D1581 WeakPolarHBondContact CA-O 3.26Å; V1532-D1581 HydrophobicContact CG1-CB 4.48Å; V1532-D1581 HydrophobicContact CG2-CB 4.29Å; V1533-D1581 PolarHBondContact N-O 2.81Å; D1581-L1585 CarbonylContact C-O 3.56Å; D1581-L1585 WeakPolarHBondContact CA-O 3.44Å; D1581-K1586 HydrophobicContact CB-CG 4.47Å; D1581-K1586 WeakPolarHBondContact OD1-CG 3.38Å; D1581-K1586 IonicContact OD1-NZ 2.74Å; D1581-K1586 PolarHBondContact OD1-NZ 2.65Å; D1581-K1586 IonicContact OD2-NZ 2.99Å; D1581-K1586 PolarHBondContact OD2-NZ 2.69Å |
| 1582 | A | 75.1 | Confident | 86.3 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 127 | -165.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1533 I1580 G1584 L1585 | V1533-A1582 HydrophobicContact CB-CB 3.58Å; V1533-A1582 HydrophobicContact CG2-CB 3.64Å; I1580-A1582 HydrophobicContact CD1-CB 3.79Å; I1580-A1582 HydrophobicContact CG1-CB 3.61Å; A1582-G1584 PolarHBondContact O-N 2.92Å; A1582-L1585 PolarHBondContact N-O 2.82Å; A1582-L1585 WeakPolarHBondContact O-CA 3.39Å; A1582-L1585 VanDerWaalsContact O-CB 3.32Å; A1582-L1585 WeakPolarHBondContact O-CB 3.49Å; A1582-L1585 PolarHBondContact O-N 3.46Å |
| 1583 | F | 66.8 | Low | 86.1 | Confident | 121 Ų | 121 | 45.5 Ų | 45.5 | 53% | 0.531 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 32.8 | 179.3 | -50.9 | -69.2 | 0 | 0 | 0 | 113.8 | V1533 F1615 | V1533-F1583 HydrophobicContact CB-CE2 4.43Å; V1533-F1583 HydrophobicContact CG1-CD2 4.49Å; V1533-F1583 HydrophobicContact CG1-CE1 4.22Å; V1533-F1583 HydrophobicContact CG1-CE2 3.76Å; V1533-F1583 HydrophobicContact CG1-CZ 3.6Å; F1583-F1615 VanDerWaalsContact O-CE2 3.28Å; F1583-F1615 WeakPolarHBondContact O-CE2 3.41Å |
| 1584 | G | 68.5 | Low | 85.7 | Confident | 17 Ų | 17 | 43.8 Ų | 43.8 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -18.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1582 K1586 F1615 H1616 | A1582-G1584 PolarHBondContact O-N 2.92Å; G1584-K1586 PolarHBondContact O-N 2.71Å; G1584-F1615 CarbonylContact O-C 3.55Å; G1584-F1615 WeakPolarHBondContact O-CA 3.49Å; G1584-H1616 VanDerWaalsContact CA-O 3.29Å; G1584-H1616 WeakPolarHBondContact CA-O 3.13Å; G1584-H1616 PolarHBondContact O-N 2.79Å |
| 1585 | L | 84.1 | Confident | 85.4 | Confident | 41 Ų | 41 | 44 Ų | 44 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 105.1 | 178.8 | -174.4 | 64.4 | 0 | 0 | 0 | 112 | I1580 D1581 A1582 A1587 R1614 F1615 V1624 | I1580-L1585 CarbonylContact C-O 3.35Å; D1581-L1585 CarbonylContact C-O 3.56Å; D1581-L1585 WeakPolarHBondContact CA-O 3.44Å; A1582-L1585 PolarHBondContact N-O 2.82Å; A1582-L1585 WeakPolarHBondContact O-CA 3.39Å; A1582-L1585 VanDerWaalsContact O-CB 3.32Å; A1582-L1585 WeakPolarHBondContact O-CB 3.49Å; A1582-L1585 PolarHBondContact O-N 3.46Å; L1585-A1587 HydrophobicContact CD1-CB 3.99Å; L1585-A1587 HydrophobicContact CD2-CB 4.31Å; L1585-A1587 HydrophobicContact CG-CB 3.87Å; L1585-R1614 CarbonylContact C-O 3.58Å; L1585-R1614 WeakPolarHBondContact CA-O 3.45Å; L1585-F1615 HydrophobicContact CB-CD2 3.91Å; L1585-F1615 HydrophobicContact CD1-CB 4.24Å; L1585-F1615 HydrophobicContact CD1-CD2 4.35Å; L1585-V1624 HydrophobicContact CD1-CG2 3.98Å |
| 1586 | K | 87.3 | Confident | 84.9 | Confident | 100 Ų | 100 | 45.5 Ų | 45.5 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 90.5 | 170.7 | -62.9 | -173.9 | -168.1 | -63.6 | 0 | 109.9 | I1580 D1581 G1584 G1613 R1614 | I1580-K1586 CarbonylContact O-C 3.41Å; I1580-K1586 VanDerWaalsContact O-CA 3.27Å; I1580-K1586 WeakPolarHBondContact O-CA 3.37Å; D1581-K1586 HydrophobicContact CB-CG 4.47Å; D1581-K1586 WeakPolarHBondContact OD1-CG 3.38Å; D1581-K1586 IonicContact OD1-NZ 2.74Å; D1581-K1586 PolarHBondContact OD1-NZ 2.65Å; D1581-K1586 IonicContact OD2-NZ 2.99Å; D1581-K1586 PolarHBondContact OD2-NZ 2.69Å; G1584-K1586 PolarHBondContact O-N 2.71Å; K1586-G1613 CarbonylContact O-C 3.52Å; K1586-G1613 VanDerWaalsContact O-CA 3.26Å; K1586-G1613 WeakPolarHBondContact O-CA 3.38Å; K1586-R1614 PolarHBondContact N-O 2.94Å; K1586-R1614 PolarHBondContact O-N 2.85Å |
| 1587 | A | 90 | Very high | 84.6 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 160.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1579 I1580 L1585 I1610 | R1579-A1587 CarbonylContact C-O 3.48Å; R1579-A1587 WeakPolarHBondContact CA-O 3.25Å; R1579-A1587 VanDerWaalsContact CB-O 3.29Å; R1579-A1587 WeakPolarHBondContact CB-O 3.5Å; I1580-A1587 HydrophobicContact CG2-CB 3.82Å; I1580-A1587 PolarHBondContact N-O 2.86Å; I1580-A1587 PolarHBondContact O-N 2.87Å; L1585-A1587 HydrophobicContact CD1-CB 3.99Å; L1585-A1587 HydrophobicContact CD2-CB 4.31Å; L1585-A1587 HydrophobicContact CG-CB 3.87Å; A1587-I1610 HydrophobicContact CB-CG2 3.81Å |
| 1588 | R | 93.7 | Very high | 83.5 | Confident | 46 Ų | 46 | 40.4 Ų | 40.4 | 17% | 0.174 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 140.9 | 166.4 | -168.1 | 167.3 | 66.8 | 79.2 | 3.5 | 109 | N1576 V1578 R1579 I1610 P1611 E1612 | N1576-R1588 WeakPolarHBondContact O-CD 3.37Å; N1576-R1588 PolarHBondContact O-NH1 2.85Å; N1576-R1588 PolarHBondContact OD1-NH1 3.22Å; V1578-R1588 CarbonylContact O-C 3.47Å; V1578-R1588 WeakPolarHBondContact O-CA 3.46Å; V1578-R1588 VanDerWaalsContact O-CG 3.29Å; V1578-R1588 WeakPolarHBondContact O-CG 3.37Å; R1579-R1588 HydrophobicContact CG-CB 4.03Å; R1579-R1588 HydrophobicContact CG-CG 4.09Å; R1588-I1610 WeakPolarHBondContact O-CA 3.29Å; R1588-P1611 VanDerWaalsContact NH2-CG 3.33Å; R1588-P1611 WeakPolarHBondContact O-CD 3.31Å; R1588-E1612 HydrophobicContact CB-CG 3.37Å; R1588-E1612 VanDerWaalsContact CD-OE1 3.27Å; R1588-E1612 WeakPolarHBondContact CD-OE1 3.36Å; R1588-E1612 HydrophobicContact CG-CG 4.29Å; R1588-E1612 PolarHBondContact N-O 2.99Å; R1588-E1612 IonicContact NE-OE1 3.59Å; R1588-E1612 PolarHBondContact NE-OE1 2.86Å; R1588-E1612 IonicContact NE-OE2 3.51Å; R1588-E1612 PolarHBondContact NE-OE2 2.92Å |
| 1589 | L | 91.2 | Very high | 82 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.3 | -177.4 | -50.8 | 179.2 | 0 | 0 | 0 | 110.4 | I1531 V1574 V1578 I1580 I1608 N1609 I1610 | I1531-L1589 HydrophobicContact CD1-CD1 4.49Å; V1574-L1589 HydrophobicContact CG1-CB 4.09Å; V1578-L1589 HydrophobicContact CB-CB 4.4Å; V1578-L1589 HydrophobicContact CG1-CB 3.85Å; V1578-L1589 HydrophobicContact CG1-CD1 4.1Å; V1578-L1589 HydrophobicContact CG1-CG 4.28Å; V1578-L1589 PolarHBondContact O-N 3.49Å; I1580-L1589 HydrophobicContact CB-CD1 4.23Å; I1580-L1589 HydrophobicContact CG2-CD1 4.07Å; I1580-L1589 HydrophobicContact CG2-CD2 4.02Å; I1580-L1589 HydrophobicContact CG2-CG 4.08Å; L1589-I1608 HydrophobicContact CB-CG2 3.96Å; L1589-I1608 HydrophobicContact CD2-CG2 4.17Å; L1589-I1608 HydrophobicContact CG-CG2 4.45Å; L1589-N1609 CarbonylContact C-O 3.54Å; L1589-N1609 WeakPolarHBondContact CA-O 3.12Å; L1589-I1610 HydrophobicContact CD2-CG1 3.92Å |
| 1590 | T | 90.2 | Very high | 80.3 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 14% | 0.141 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 135.4 | 175.6 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | V1574 N1576 N1609 P1611 | V1574-T1590 WeakPolarHBondContact O-CA 3.49Å; N1576-T1590 WeakPolarHBondContact OD1-CG2 3.31Å; T1590-N1609 PolarHBondContact N-O 2.89Å; T1590-N1609 WeakPolarHBondContact O-CA 3.47Å; T1590-N1609 WeakPolarHBondContact O-CB 3.45Å; T1590-N1609 PolarHBondContact O-N 3.34Å; T1590-N1609 PolarHBondContact O-ND2 2.82Å; T1590-P1611 HydrophobicContact CG2-CG 4.16Å |
| 1591 | G | 87.3 | Confident | 79.1 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.3 | -163.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1574 Q1607 | V1574-G1591 PolarHBondContact N-O 2.76Å; V1574-G1591 PolarHBondContact O-N 3.1Å; G1591-Q1607 VanDerWaalsContact CA-O 3.29Å; G1591-Q1607 WeakPolarHBondContact CA-O 3.41Å |
| 1592 | D | 85.7 | Confident | 78.7 | Confident | 57 Ų | 57 | 43.6 Ų | 43.6 | 31% | 0.305 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 133.8 | -175.9 | -68 | -84.3 | 0 | 0 | 0 | 109.6 | H1573 G1606 Q1607 | H1573-D1592 IonicContact CE1-OD1 2.66Å; H1573-D1592 IonicContact CG-OD1 2.7Å; H1573-D1592 IonicContact ND1-OD1 2.62Å; H1573-D1592 PolarHBondContact ND1-OD1 2.81Å; H1573-D1592 IonicContact ND1-OD2 3.32Å; D1592-G1606 CarbonylContact O-C 3.59Å; D1592-G1606 WeakPolarHBondContact O-CA 3.37Å; D1592-Q1607 PolarHBondContact N-O 2.86Å; D1592-Q1607 VanDerWaalsContact N-O 3.11Å; D1592-Q1607 PolarHBondContact O-N 2.81Å |
| 1593 | L | 85.4 | Confident | 78.7 | Confident | 21 Ų | 21 | 43.6 Ų | 43.6 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.4 | 177.4 | -67.3 | 172.8 | 0 | 0 | 0 | 109.4 | V1572 L1604 N1605 I1608 F1631 | V1572-L1593 HydrophobicContact CB-CB 4.46Å; V1572-L1593 PolarHBondContact N-O 2.96Å; V1572-L1593 PolarHBondContact O-N 3.45Å; L1593-L1604 HydrophobicContact CD1-CD1 4.39Å; L1593-N1605 CarbonylContact C-O 3.48Å; L1593-I1608 HydrophobicContact CD1-CD1 3.87Å; L1593-I1608 HydrophobicContact CD1-CG1 3.87Å; L1593-I1608 HydrophobicContact CD2-CD1 4.45Å; L1593-I1608 HydrophobicContact CD2-CG1 4.17Å; L1593-I1608 HydrophobicContact CG-CD1 3.85Å; L1593-I1608 HydrophobicContact CG-CG1 4.03Å; L1593-F1631 HydrophobicContact CD2-CB 4.16Å; L1593-F1631 HydrophobicContact CD2-CD2 3.55Å; L1593-F1631 HydrophobicContact CD2-CE2 4.15Å; L1593-F1631 HydrophobicContact CD2-CG 3.97Å |
| 1594 | N | 85 | Confident | 79.4 | Confident | 24 Ų | 24 | 38.9 Ų | 38.9 | 13% | 0.128 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.8 | 158.9 | -161.5 | 53.3 | 0 | 0 | 0 | 108.4 | N1569 I1571 V1596 N1605 | N1569-N1594 PolarHBondContact OD1-ND2 2.93Å; N1569-N1594 PolarHBondContact OD1-OD1 2.87Å; I1571-N1594 VanDerWaalsContact CG1-OD1 3.27Å; I1571-N1594 WeakPolarHBondContact CG1-OD1 3.38Å; N1594-V1596 VanDerWaalsContact ND2-CG2 3.32Å; N1594-V1596 WeakPolarHBondContact ND2-CG2 3.37Å; N1594-N1605 PolarHBondContact N-O 2.86Å; N1594-N1605 PolarHBondContact O-N 2.74Å |
| 1595 | V | 83 | Confident | 79.8 | Confident | 24 Ų | 24 | 38.7 Ų | 38.7 | 15% | 0.145 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 112.3 | 177.1 | -171 | 0 | 0 | 0 | 0 | 107.4 | L1570 V1572 L1602 L1604 | L1570-V1595 HydrophobicContact CB-CB 4.21Å; L1570-V1595 PolarHBondContact N-O 2.86Å; L1570-V1595 PolarHBondContact O-N 2.86Å; V1572-V1595 HydrophobicContact CB-CG2 4.26Å; V1572-V1595 HydrophobicContact CG2-CG2 3.56Å; V1595-L1602 HydrophobicContact CG1-CD1 3.47Å; V1595-L1602 VanDerWaalsContact CG1-CD1 3.47Å; V1595-L1602 HydrophobicContact CG1-CG 4.42Å; V1595-L1604 HydrophobicContact CB-CD2 4.08Å; V1595-L1604 HydrophobicContact CG1-CD2 3.98Å; V1595-L1604 HydrophobicContact CG2-CD2 3.65Å |
| 1596 | V | 77.9 | Confident | 79.6 | Confident | 38 Ų | 38 | 37 Ų | 37 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.6 | 176.6 | -176 | 0 | 0 | 0 | 0 | 107.5 | S1568 N1594 G1603 | S1568-V1596 CarbonylContact O-C 3.6Å; S1568-V1596 VanDerWaalsContact O-CA 3.29Å; S1568-V1596 WeakPolarHBondContact O-CA 3.21Å; N1594-V1596 VanDerWaalsContact ND2-CG2 3.32Å; N1594-V1596 WeakPolarHBondContact ND2-CG2 3.37Å; V1596-G1603 PolarHBondContact N-O 2.77Å; V1596-G1603 WeakPolarHBondContact O-CA 3.1Å; V1596-G1603 PolarHBondContact O-N 2.87Å |
| 1597 | Q | 76.3 | Confident | 79.4 | Confident | 63 Ų | 63 | 33.1 Ų | 33.1 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.6 | 170.8 | -166.3 | -175.2 | -39.8 | 0 | 0 | 108.4 | N1567 S1568 G1601 L1602 | N1567-Q1597 CarbonylContact C-O 3.45Å; N1567-Q1597 VanDerWaalsContact CA-O 3.22Å; N1567-Q1597 WeakPolarHBondContact CA-O 3.05Å; N1567-Q1597 PolarHBondContact OD1-O 2.79Å; S1568-Q1597 PolarHBondContact N-O 2.8Å; S1568-Q1597 PolarHBondContact O-N 2.84Å; S1568-Q1597 WeakPolarHBondContact OG-CB 3.24Å; S1568-Q1597 PolarHBondContact OG-N 2.79Å; Q1597-G1601 VanDerWaalsContact CA-O 3.32Å; Q1597-G1601 WeakPolarHBondContact CA-O 3.42Å; Q1597-G1601 VanDerWaalsContact CG-O 3.31Å; Q1597-G1601 WeakPolarHBondContact CG-O 3.37Å; Q1597-L1602 HydrophobicContact CB-CD1 3.94Å; Q1597-L1602 HydrophobicContact CG-CD1 4.21Å |
| 1598 | D | 68.7 | Low | 79.3 | Confident | 28 Ų | 28 | 33.5 Ų | 33.5 | 15% | 0.15 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | -155.9 | 165.6 | 80.9 | -4.3 | 0 | 0 | 0 | 111.3 | R231 Q1600 G1601 | R231-D1598 IonicContact CZ-OD2 3.74Å; R231-D1598 IonicContact NH1-OD2 3.25Å; R231-D1598 IonicContact NH2-OD2 3.54Å; R231-D1598 PolarHBondContact NH2-OD2 2.83Å; D1598-Q1600 PolarHBondContact O-N 2.94Å; D1598-Q1600 VanDerWaalsContact O-N 3.09Å; D1598-Q1600 WeakPolarHBondContact OD1-CB 3.44Å; D1598-Q1600 PolarHBondContact OD1-N 2.89Å; D1598-G1601 PolarHBondContact N-O 2.82Å; D1598-G1601 VanDerWaalsContact N-O 3.17Å; D1598-G1601 PolarHBondContact O-N 2.82Å; D1598-G1601 VanDerWaalsContact O-N 3.16Å |
| 1599 | K | 61.2 | Low | 78.9 | Confident | 136 Ų | 136 | 33.4 Ų | 33.4 | 59% | 0.591 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -28.8 | 173.4 | -83.3 | -172.4 | 164.8 | -167.5 | 0 | 114.3 | E144 P1565 | E144-K1599 IonicContact OE2-NZ 3.15Å; E144-K1599 PolarHBondContact OE2-NZ 2.75Å; P1565-K1599 HydrophobicContact CB-CG 4.42Å |
| 1600 | Q | 56.8 | Low | 78.8 | Confident | 22 Ų | 22 | 32.7 Ų | 32.7 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -14.6 | -174.7 | -72.4 | 156.2 | 33.9 | 0 | 0 | 113.5 | T132 F141 S143 D1598 | T132-Q1600 VanDerWaalsContact CG2-O 3.25Å; T132-Q1600 WeakPolarHBondContact CG2-O 3.01Å; F141-Q1600 PolarHBondContact O-NE2 2.79Å; S143-Q1600 VanDerWaalsContact O-CD 3.32Å; S143-Q1600 WeakPolarHBondContact O-CG 3.29Å; S143-Q1600 PolarHBondContact O-NE2 2.74Å; S143-Q1600 VanDerWaalsContact OG-CD 3.31Å; S143-Q1600 WeakPolarHBondContact OG-CG 3.28Å; D1598-Q1600 PolarHBondContact O-N 2.94Å; D1598-Q1600 VanDerWaalsContact O-N 3.09Å; D1598-Q1600 WeakPolarHBondContact OD1-CB 3.44Å; D1598-Q1600 PolarHBondContact OD1-N 2.89Å |
| 1601 | G | 64.6 | Low | 78.3 | Confident | 32 Ų | 32 | 34.8 Ų | 34.8 | 33% | 0.33 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.3 | -158.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1597 D1598 | Q1597-G1601 VanDerWaalsContact CA-O 3.32Å; Q1597-G1601 WeakPolarHBondContact CA-O 3.42Å; Q1597-G1601 VanDerWaalsContact CG-O 3.31Å; Q1597-G1601 WeakPolarHBondContact CG-O 3.37Å; D1598-G1601 PolarHBondContact N-O 2.82Å; D1598-G1601 VanDerWaalsContact N-O 3.17Å; D1598-G1601 PolarHBondContact O-N 2.82Å; D1598-G1601 VanDerWaalsContact O-N 3.16Å |
| 1602 | L | 73.8 | Confident | 78.2 | Confident | 79 Ų | 79 | 38 Ų | 38 | 41% | 0.414 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136 | -173.3 | -170.1 | 67.5 | 0 | 0 | 0 | 110.9 | V1595 Q1597 P1635 | V1595-L1602 HydrophobicContact CG1-CD1 3.47Å; V1595-L1602 VanDerWaalsContact CG1-CD1 3.47Å; V1595-L1602 HydrophobicContact CG1-CG 4.42Å; Q1597-L1602 HydrophobicContact CB-CD1 3.94Å; Q1597-L1602 HydrophobicContact CG-CD1 4.21Å; L1602-P1635 HydrophobicContact CB-CG 4.18Å; L1602-P1635 HydrophobicContact CD2-CG 3.97Å; L1602-P1635 HydrophobicContact CG-CG 3.94Å; L1602-P1635 WeakPolarHBondContact O-CD 3.42Å |
| 1603 | G | 75.9 | Confident | 78.3 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1596 G1633 | V1596-G1603 PolarHBondContact N-O 2.77Å; V1596-G1603 WeakPolarHBondContact O-CA 3.1Å; V1596-G1603 PolarHBondContact O-N 2.87Å; G1603-G1633 CarbonylContact C-O 3.54Å; G1603-G1633 WeakPolarHBondContact CA-O 3.44Å |
| 1604 | L | 79.8 | Confident | 78.4 | Confident | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.115 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.7 | 177.5 | -65.7 | -176.8 | 0 | 0 | 0 | 110.6 | L1593 V1595 F1631 S1632 G1633 P1635 | L1593-L1604 HydrophobicContact CD1-CD1 4.39Å; V1595-L1604 HydrophobicContact CB-CD2 4.08Å; V1595-L1604 HydrophobicContact CG1-CD2 3.98Å; V1595-L1604 HydrophobicContact CG2-CD2 3.65Å; L1604-F1631 HydrophobicContact CB-CB 3.69Å; L1604-F1631 HydrophobicContact CB-CD1 3.83Å; L1604-F1631 HydrophobicContact CB-CG 3.99Å; L1604-F1631 HydrophobicContact CD1-CD1 3.63Å; L1604-F1631 HydrophobicContact CD1-CE1 3.79Å; L1604-F1631 HydrophobicContact CD1-CG 4.31Å; L1604-F1631 HydrophobicContact CG-CD1 4.36Å; L1604-F1631 CarbonylContact O-C 3.59Å; L1604-F1631 VanDerWaalsContact O-C 3.24Å; L1604-F1631 WeakPolarHBondContact O-CB 3.48Å; L1604-S1632 PolarHBondContact O-N 2.77Å; L1604-S1632 VanDerWaalsContact O-N 3.11Å; L1604-G1633 PolarHBondContact N-O 2.83Å; L1604-G1633 PolarHBondContact O-N 3.41Å; L1604-P1635 HydrophobicContact CD1-CB 3.79Å; L1604-P1635 HydrophobicContact CD1-CG 4.41Å; L1604-P1635 HydrophobicContact CG-CB 4.04Å; L1604-P1635 HydrophobicContact CG-CG 4.12Å |
| 1605 | N | 78.7 | Confident | 78.2 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.5 | 171.1 | -81 | 69.3 | 0 | 0 | 0 | 110.1 | V223 P225 L1593 N1594 F1631 | V223-N1605 PolarHBondContact O-ND2 2.8Å; V223-N1605 VanDerWaalsContact O-ND2 3.16Å; P225-N1605 WeakPolarHBondContact CD-ND2 3.28Å; L1593-N1605 CarbonylContact C-O 3.48Å; N1594-N1605 PolarHBondContact N-O 2.86Å; N1594-N1605 PolarHBondContact O-N 2.74Å; N1605-F1631 CarbonylContact C-O 3.54Å; N1605-F1631 WeakPolarHBondContact CA-O 3.26Å |
| 1606 | G | 79.6 | Confident | 77.6 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.1 | -157.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1592 F1631 | D1592-G1606 CarbonylContact O-C 3.59Å; D1592-G1606 WeakPolarHBondContact O-CA 3.37Å; G1606-F1631 PolarHBondContact N-O 2.97Å; G1606-F1631 PolarHBondContact O-N 3.36Å |
| 1607 | Q | 82.9 | Confident | 77 | Confident | 18 Ų | 18 | 43.6 Ų | 43.6 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 123.2 | -172.6 | -174.3 | 174 | -21.2 | 0 | 0 | 111.9 | G1591 D1592 N1609 L1629 L1630 | G1591-Q1607 VanDerWaalsContact CA-O 3.29Å; G1591-Q1607 WeakPolarHBondContact CA-O 3.41Å; D1592-Q1607 PolarHBondContact N-O 2.86Å; D1592-Q1607 VanDerWaalsContact N-O 3.11Å; D1592-Q1607 PolarHBondContact O-N 2.81Å; Q1607-N1609 PolarHBondContact NE2-OD1 2.95Å; Q1607-L1629 WeakPolarHBondContact CA-O 3.42Å; Q1607-L1630 HydrophobicContact CB-CD2 3.79Å; Q1607-L1630 HydrophobicContact CG-CD2 3.66Å; Q1607-L1630 HydrophobicContact CG-CG 4.42Å |
| 1608 | I | 87.6 | Confident | 76 | Confident | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.8 | 165.7 | -61.2 | -58.2 | 0 | 0 | 0 | 109.5 | V1574 L1589 L1593 E1628 L1629 F1631 | V1574-I1608 HydrophobicContact CB-CD1 3.86Å; V1574-I1608 HydrophobicContact CG1-CD1 4.32Å; V1574-I1608 HydrophobicContact CG2-CD1 3.53Å; L1589-I1608 HydrophobicContact CB-CG2 3.96Å; L1589-I1608 HydrophobicContact CD2-CG2 4.17Å; L1589-I1608 HydrophobicContact CG-CG2 4.45Å; L1593-I1608 HydrophobicContact CD1-CD1 3.87Å; L1593-I1608 HydrophobicContact CD1-CG1 3.87Å; L1593-I1608 HydrophobicContact CD2-CD1 4.45Å; L1593-I1608 HydrophobicContact CD2-CG1 4.17Å; L1593-I1608 HydrophobicContact CG-CD1 3.85Å; L1593-I1608 HydrophobicContact CG-CG1 4.03Å; I1608-E1628 CarbonylContact O-C 3.54Å; I1608-L1629 HydrophobicContact CB-CB 4.29Å; I1608-L1629 HydrophobicContact CB-CD1 4.44Å; I1608-L1629 HydrophobicContact CG2-CD1 4.33Å; I1608-L1629 PolarHBondContact N-O 3.05Å; I1608-L1629 PolarHBondContact O-N 2.62Å; I1608-F1631 HydrophobicContact CB-CE2 4.2Å; I1608-F1631 HydrophobicContact CG1-CE2 3.96Å |
| 1609 | N | 86.1 | Confident | 75.4 | Confident | 45 Ų | 45 | 51.1 Ų | 51.1 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 147.7 | 179 | -55.7 | -81.2 | 0 | 0 | 0 | 110.6 | L1589 T1590 Q1607 P1611 G1627 | L1589-N1609 CarbonylContact C-O 3.54Å; L1589-N1609 WeakPolarHBondContact CA-O 3.12Å; T1590-N1609 PolarHBondContact N-O 2.89Å; T1590-N1609 WeakPolarHBondContact O-CA 3.47Å; T1590-N1609 WeakPolarHBondContact O-CB 3.45Å; T1590-N1609 PolarHBondContact O-N 3.34Å; T1590-N1609 PolarHBondContact O-ND2 2.82Å; Q1607-N1609 PolarHBondContact NE2-OD1 2.95Å; N1609-P1611 VanDerWaalsContact C-CD 3.43Å; N1609-P1611 WeakPolarHBondContact O-CD 3.23Å; N1609-G1627 CarbonylContact C-O 3.52Å; N1609-G1627 WeakPolarHBondContact CA-O 3.39Å |
| 1610 | I | 88.6 | Confident | 75.8 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 84.2 | 173.5 | -51.7 | 177.8 | 0 | 0 | 0 | 108.5 | A1587 R1588 L1589 E1612 V1624 G1627 | A1587-I1610 HydrophobicContact CB-CG2 3.81Å; R1588-I1610 WeakPolarHBondContact O-CA 3.29Å; L1589-I1610 HydrophobicContact CD2-CG1 3.92Å; I1610-E1612 VanDerWaalsContact C-N 3.3Å; I1610-E1612 WeakPolarHBondContact CG2-O 3.35Å; I1610-E1612 PolarHBondContact O-N 2.83Å; I1610-V1624 HydrophobicContact CB-CG1 4.31Å; I1610-V1624 HydrophobicContact CG2-CB 4.29Å; I1610-V1624 HydrophobicContact CG2-CG1 3.82Å; I1610-G1627 PolarHBondContact N-O 2.85Å |
| 1611 | P | 80.5 | Confident | 76.7 | Confident | 67 Ų | 67 | 46.6 Ų | 46.6 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | -14.9 | 179.5 | 29.1 | -38.1 | 0 | 0 | 0 | 114.5 | R1588 T1590 N1609 | R1588-P1611 VanDerWaalsContact NH2-CG 3.33Å; R1588-P1611 WeakPolarHBondContact O-CD 3.31Å; T1590-P1611 HydrophobicContact CG2-CG 4.16Å; N1609-P1611 VanDerWaalsContact C-CD 3.43Å; N1609-P1611 WeakPolarHBondContact O-CD 3.23Å |
| 1612 | E | 84.7 | Confident | 77.6 | Confident | 77 Ų | 77 | 45.6 Ų | 45.6 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 147 | 170.1 | 60.5 | -179.2 | -148.8 | 0 | 0 | 109.7 | R1579 R1588 I1610 | R1579-E1612 IonicContact CZ-OE1 2.65Å; R1579-E1612 IonicContact NE-OE1 2.79Å; R1579-E1612 IonicContact NH2-OE1 3.87Å; R1579-E1612 PolarHBondContact NH2-OE1 3.27Å; R1588-E1612 HydrophobicContact CB-CG 3.37Å; R1588-E1612 VanDerWaalsContact CD-OE1 3.27Å; R1588-E1612 WeakPolarHBondContact CD-OE1 3.36Å; R1588-E1612 HydrophobicContact CG-CG 4.29Å; R1588-E1612 PolarHBondContact N-O 2.99Å; R1588-E1612 IonicContact NE-OE1 3.59Å; R1588-E1612 PolarHBondContact NE-OE1 2.86Å; R1588-E1612 IonicContact NE-OE2 3.51Å; R1588-E1612 PolarHBondContact NE-OE2 2.92Å; I1610-E1612 VanDerWaalsContact C-N 3.3Å; I1610-E1612 WeakPolarHBondContact CG2-O 3.35Å; I1610-E1612 PolarHBondContact O-N 2.83Å |
| 1613 | G | 86.7 | Confident | 78.3 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | 172 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1586 I1623 V1624 | K1586-G1613 CarbonylContact O-C 3.52Å; K1586-G1613 VanDerWaalsContact O-CA 3.26Å; K1586-G1613 WeakPolarHBondContact O-CA 3.38Å; G1613-I1623 CarbonylContact O-C 3.55Å; G1613-I1623 WeakPolarHBondContact O-CA 3.5Å; G1613-V1624 PolarHBondContact O-N 3.3Å |
| 1614 | R | 87.2 | Confident | 78.7 | Confident | 89 Ų | 89 | 43.9 Ų | 43.9 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 148.8 | 172.4 | -57.9 | -176.6 | 87.9 | 113.8 | -6.1 | 110.4 | L1585 K1586 D1621 L1622 I1623 N1647 | L1585-R1614 CarbonylContact C-O 3.58Å; L1585-R1614 WeakPolarHBondContact CA-O 3.45Å; K1586-R1614 PolarHBondContact N-O 2.94Å; K1586-R1614 PolarHBondContact O-N 2.85Å; R1614-D1621 IonicContact CZ-OD1 2.79Å; R1614-D1621 IonicContact CZ-OD2 3.83Å; R1614-D1621 IonicContact NE-OD1 3.66Å; R1614-D1621 PolarHBondContact NE-OD1 2.99Å; R1614-D1621 IonicContact NE-OD2 3.13Å; R1614-D1621 VanDerWaalsContact NH2-CG 3.35Å; R1614-D1621 IonicContact NH2-OD1 3.81Å; R1614-D1621 PolarHBondContact NH2-OD1 3.21Å; R1614-D1621 IonicContact NH2-OD2 2.82Å; R1614-D1621 PolarHBondContact NH2-OD2 2.96Å; R1614-L1622 CarbonylContact C-O 3.59Å; R1614-L1622 WeakPolarHBondContact CA-O 3.35Å; R1614-L1622 WeakPolarHBondContact CB-O 3.44Å; R1614-I1623 HydrophobicContact CG-CG1 4.37Å; R1614-N1647 PolarHBondContact NH2-ND2 3.25Å |
| 1615 | F | 80.7 | Confident | 78.7 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 32% | 0.32 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 117 | 179.2 | 179.8 | -105.9 | 0 | 0 | 0 | 110.2 | F1583 G1584 L1585 A1617 L1622 | F1583-F1615 VanDerWaalsContact O-CE2 3.28Å; F1583-F1615 WeakPolarHBondContact O-CE2 3.41Å; G1584-F1615 CarbonylContact O-C 3.55Å; G1584-F1615 WeakPolarHBondContact O-CA 3.49Å; L1585-F1615 HydrophobicContact CB-CD2 3.91Å; L1585-F1615 HydrophobicContact CD1-CB 4.24Å; L1585-F1615 HydrophobicContact CD1-CD2 4.35Å; F1615-A1617 HydrophobicContact CD1-CB 4.17Å; F1615-A1617 HydrophobicContact CE1-CB 3.44Å; F1615-A1617 VanDerWaalsContact CE1-CB 3.44Å; F1615-A1617 HydrophobicContact CZ-CB 3.71Å; F1615-L1622 HydrophobicContact CB-CB 4.26Å; F1615-L1622 HydrophobicContact CD1-CD1 4.07Å; F1615-L1622 HydrophobicContact CD1-CG 4.46Å; F1615-L1622 PolarHBondContact N-O 3.26Å; F1615-L1622 PolarHBondContact O-N 3.25Å |
| 1616 | H | 71.7 | Confident | 78.7 | Confident | 83 Ų | 83 | 52.9 Ų | 52.9 | 38% | 0.384 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 102.4 | -176.1 | -74.1 | 57.5 | 0 | 0 | 0 | 111.5 | G1584 Q1620 D1621 | G1584-H1616 VanDerWaalsContact CA-O 3.29Å; G1584-H1616 WeakPolarHBondContact CA-O 3.13Å; G1584-H1616 PolarHBondContact O-N 2.79Å; H1616-Q1620 CarbonylContact C-O 3.54Å; H1616-Q1620 VanDerWaalsContact CA-O 3.22Å; H1616-Q1620 WeakPolarHBondContact CA-O 3.47Å; H1616-D1621 VanDerWaalsContact CE1-CG 3.5Å; H1616-D1621 IonicContact CE1-OD1 2.66Å; H1616-D1621 PolarHBondContact CE1-OD1 3.22Å; H1616-D1621 IonicContact ND1-OD1 3.4Å; H1616-D1621 IonicContact NE2-OD1 2.69Å |
| 1617 | A | 64.1 | Low | 78.9 | Confident | 26 Ų | 26 | 52.8 Ų | 52.8 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1615 G1619 Q1620 | F1615-A1617 HydrophobicContact CD1-CB 4.17Å; F1615-A1617 HydrophobicContact CE1-CB 3.44Å; F1615-A1617 VanDerWaalsContact CE1-CB 3.44Å; F1615-A1617 HydrophobicContact CZ-CB 3.71Å; A1617-G1619 PolarHBondContact O-N 3.33Å; A1617-Q1620 PolarHBondContact N-O 3.14Å; A1617-Q1620 VanDerWaalsContact N-O 3.16Å; A1617-Q1620 WeakPolarHBondContact O-CB 3.47Å; A1617-Q1620 PolarHBondContact O-N 3.39Å |
| 1618 | Y | 56.1 | Low | 78.9 | Confident | 176 Ų | 176 | 54 Ų | 54 | 69% | 0.69 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 31.8 | 178.4 | -53.1 | -76.9 | 0 | 0 | 0 | 114.8 | Q1620 L1710 | Y1618-Q1620 PolarHBondContact O-NE2 3.38Å; Y1618-L1710 HydrophobicContact CD1-CD2 4.49Å |
| 1619 | G | 56.1 | Low | 78.7 | Confident | 72 Ų | 72 | 55 Ų | 55 | 74% | 0.742 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1617 | A1617-G1619 PolarHBondContact O-N 3.33Š|
| 1620 | Q | 69.2 | Low | 78.4 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 158.1 | -172.3 | -40.5 | -49.7 | -44.1 | 0 | 0 | 111.7 | H1616 A1617 Y1618 L1688 | H1616-Q1620 CarbonylContact C-O 3.54Å; H1616-Q1620 VanDerWaalsContact CA-O 3.22Å; H1616-Q1620 WeakPolarHBondContact CA-O 3.47Å; A1617-Q1620 PolarHBondContact N-O 3.14Å; A1617-Q1620 VanDerWaalsContact N-O 3.16Å; A1617-Q1620 WeakPolarHBondContact O-CB 3.47Å; A1617-Q1620 PolarHBondContact O-N 3.39Å; Y1618-Q1620 PolarHBondContact O-NE2 3.38Å; Q1620-L1688 HydrophobicContact CG-CD2 3.99Å; Q1620-L1688 PolarHBondContact NE2-O 2.7Å; Q1620-L1688 PolarHBondContact OE1-O 2.81Å |
| 1621 | D | 75.7 | Confident | 78 | Confident | 27 Ų | 27 | 54.8 Ų | 54.8 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 110.5 | -178.2 | 162.8 | 32 | 0 | 0 | 0 | 108.9 | R1614 H1616 N1647 | R1614-D1621 IonicContact CZ-OD1 2.79Å; R1614-D1621 IonicContact CZ-OD2 3.83Å; R1614-D1621 IonicContact NE-OD1 3.66Å; R1614-D1621 PolarHBondContact NE-OD1 2.99Å; R1614-D1621 IonicContact NE-OD2 3.13Å; R1614-D1621 VanDerWaalsContact NH2-CG 3.35Å; R1614-D1621 IonicContact NH2-OD1 3.81Å; R1614-D1621 PolarHBondContact NH2-OD1 3.21Å; R1614-D1621 IonicContact NH2-OD2 2.82Å; R1614-D1621 PolarHBondContact NH2-OD2 2.96Å; H1616-D1621 VanDerWaalsContact CE1-CG 3.5Å; H1616-D1621 IonicContact CE1-OD1 2.66Å; H1616-D1621 PolarHBondContact CE1-OD1 3.22Å; H1616-D1621 IonicContact ND1-OD1 3.4Å; H1616-D1621 IonicContact NE2-OD1 2.69Å; D1621-N1647 HydrophobicContact CB-CB 4.37Å; D1621-N1647 WeakPolarHBondContact O-CB 3.44Å; D1621-N1647 PolarHBondContact O-N 2.79Å; D1621-N1647 WeakPolarHBondContact OD2-CB 3.07Å; D1621-N1647 PolarHBondContact OD2-ND2 2.95Å |
| 1622 | L | 84.4 | Confident | 77.4 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 161.6 | 174 | -43.1 | -173.4 | 0 | 0 | 0 | 110.6 | R1614 F1615 A1644 I1645 R1646 V1659 L1687 | R1614-L1622 CarbonylContact C-O 3.59Å; R1614-L1622 WeakPolarHBondContact CA-O 3.35Å; R1614-L1622 WeakPolarHBondContact CB-O 3.44Å; F1615-L1622 HydrophobicContact CB-CB 4.26Å; F1615-L1622 HydrophobicContact CD1-CD1 4.07Å; F1615-L1622 HydrophobicContact CD1-CG 4.46Å; F1615-L1622 PolarHBondContact N-O 3.26Å; F1615-L1622 PolarHBondContact O-N 3.25Å; L1622-A1644 HydrophobicContact CB-CB 4.3Å; L1622-A1644 HydrophobicContact CD1-CB 4.45Å; L1622-I1645 CarbonylContact C-O 3.49Å; L1622-I1645 VanDerWaalsContact C-O 3.29Å; L1622-I1645 WeakPolarHBondContact CA-O 3.2Å; L1622-I1645 WeakPolarHBondContact CB-O 3.44Å; L1622-R1646 HydrophobicContact CD2-CB 3.98Å; L1622-R1646 HydrophobicContact CD2-CG 4.26Å; L1622-V1659 HydrophobicContact CD1-CG1 4.23Å; L1622-L1687 HydrophobicContact CD1-CD1 4.21Å; L1622-L1687 HydrophobicContact CD2-CD1 3.57Å; L1622-L1687 HydrophobicContact CD2-CG 4.25Å |
| 1623 | I | 87.3 | Confident | 76.8 | Confident | 43 Ų | 43 | 49 Ų | 49 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 124.7 | -178.6 | -52.9 | 178.4 | 0 | 0 | 0 | 107.8 | G1613 R1614 R1625 A1644 I1645 N1647 | G1613-I1623 CarbonylContact O-C 3.55Å; G1613-I1623 WeakPolarHBondContact O-CA 3.5Å; R1614-I1623 HydrophobicContact CG-CG1 4.37Å; I1623-R1625 PolarHBondContact O-N 3.35Å; I1623-A1644 CarbonylContact O-C 3.59Å; I1623-A1644 VanDerWaalsContact O-CA 3.3Å; I1623-A1644 WeakPolarHBondContact O-CA 3.47Å; I1623-I1645 HydrophobicContact CB-CG1 4.14Å; I1623-I1645 PolarHBondContact N-O 2.83Å; I1623-I1645 WeakPolarHBondContact O-CG1 3.39Å; I1623-I1645 PolarHBondContact O-N 3.05Å; I1623-N1647 HydrophobicContact CD1-CB 4.23Å; I1623-N1647 HydrophobicContact CG1-CB 4.43Å |
| 1624 | V | 85.8 | Confident | 76 | Confident | 10 Ų | 10 | 49 Ų | 49 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 119 | 179.4 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | L1585 I1610 G1613 K1626 I1642 A1644 | L1585-V1624 HydrophobicContact CD1-CG2 3.98Å; I1610-V1624 HydrophobicContact CB-CG1 4.31Å; I1610-V1624 HydrophobicContact CG2-CB 4.29Å; I1610-V1624 HydrophobicContact CG2-CG1 3.82Å; G1613-V1624 PolarHBondContact O-N 3.3Å; V1624-K1626 WeakPolarHBondContact CG1-O 3.34Å; V1624-I1642 HydrophobicContact CG1-CG2 4.42Å; V1624-A1644 HydrophobicContact CG2-CB 4.35Å |
| 1625 | R | 78.7 | Confident | 75.3 | Confident | 145 Ų | 145 | 46.9 Ų | 46.9 | 55% | 0.547 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -32.1 | 173.3 | -66.3 | -174.5 | 69.4 | -175.4 | 7 | 112.6 | I1623 E1643 I1645 | I1623-R1625 PolarHBondContact O-N 3.35Å; R1625-E1643 PolarHBondContact N-O 2.91Å; R1625-E1643 IonicContact NE-OE1 3.41Å; R1625-E1643 IonicContact NH1-OE1 3.65Å; R1625-I1645 HydrophobicContact CG-CD1 4.05Å; R1625-I1645 HydrophobicContact CG-CG1 3.97Å; R1625-I1645 HydrophobicContact CG-CG2 4.39Å |
| 1626 | K | 79.6 | Confident | 74.8 | Confident | 78 Ų | 78 | 48.5 Ų | 48.5 | 34% | 0.339 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 139.9 | 178.3 | -164.6 | -167.2 | -177.2 | -158.7 | 0 | 108.7 | V1624 E1628 N1641 I1642 E1643 | V1624-K1626 WeakPolarHBondContact CG1-O 3.34Å; K1626-E1628 WeakPolarHBondContact CE-OE1 3.15Å; K1626-E1628 WeakPolarHBondContact CE-OE2 3.46Å; K1626-E1628 IonicContact NZ-OE1 2.77Å; K1626-E1628 PolarHBondContact NZ-OE1 2.71Å; K1626-E1628 IonicContact NZ-OE2 3.44Å; K1626-E1628 PolarHBondContact NZ-OE2 2.75Å; K1626-N1641 PolarHBondContact NZ-ND2 3.29Å; K1626-I1642 CarbonylContact O-C 3.56Å; K1626-I1642 WeakPolarHBondContact O-CA 3.45Å; K1626-E1643 HydrophobicContact CB-CB 4.11Å; K1626-E1643 PolarHBondContact N-O 2.89Å; K1626-E1643 PolarHBondContact O-N 3.01Å |
| 1627 | G | 82.7 | Confident | 74.8 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 127.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | N1609 I1610 N1641 | N1609-G1627 CarbonylContact C-O 3.52Å; N1609-G1627 WeakPolarHBondContact CA-O 3.39Å; I1610-G1627 PolarHBondContact N-O 2.85Å; G1627-N1641 WeakPolarHBondContact CA-O 3.31Å |
| 1628 | E | 84.3 | Confident | 75.7 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 21% | 0.21 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 137 | 164.6 | -54.8 | 155.8 | 172.9 | 0 | 0 | 106.5 | I1608 K1626 N1641 | I1608-E1628 CarbonylContact O-C 3.54Å; K1626-E1628 WeakPolarHBondContact CE-OE1 3.15Å; K1626-E1628 WeakPolarHBondContact CE-OE2 3.46Å; K1626-E1628 IonicContact NZ-OE1 2.77Å; K1626-E1628 PolarHBondContact NZ-OE1 2.71Å; K1626-E1628 IonicContact NZ-OE2 3.44Å; K1626-E1628 PolarHBondContact NZ-OE2 2.75Å; E1628-N1641 HydrophobicContact CB-CB 4.15Å; E1628-N1641 PolarHBondContact N-O 3.37Å; E1628-N1641 PolarHBondContact O-N 3.33Å; E1628-N1641 PolarHBondContact OE2-ND2 3.09Å |
| 1629 | L | 83.4 | Confident | 76.8 | Confident | 30 Ų | 30 | 40.2 Ų | 40.2 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 110.1 | 175.5 | -56.2 | 173.3 | 0 | 0 | 0 | 105.8 | Q1607 I1608 F1631 L1640 I1642 | Q1607-L1629 WeakPolarHBondContact CA-O 3.42Å; I1608-L1629 HydrophobicContact CB-CB 4.29Å; I1608-L1629 HydrophobicContact CB-CD1 4.44Å; I1608-L1629 HydrophobicContact CG2-CD1 4.33Å; I1608-L1629 PolarHBondContact N-O 3.05Å; I1608-L1629 PolarHBondContact O-N 2.62Å; L1629-F1631 HydrophobicContact CB-CE2 3.68Å; L1629-F1631 HydrophobicContact CB-CZ 4.19Å; L1629-F1631 WeakPolarHBondContact O-CD2 3.27Å; L1629-L1640 HydrophobicContact CD2-CD2 3.44Å; L1629-L1640 VanDerWaalsContact CD2-CD2 3.44Å; L1629-I1642 HydrophobicContact CD2-CD1 4.04Å; L1629-I1642 HydrophobicContact CD2-CG1 4.48Å |
| 1630 | L | 79 | Confident | 78 | Confident | 21 Ų | 21 | 37.9 Ų | 37.9 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 111.8 | -173.1 | -75.9 | 167 | 0 | 0 | 0 | 109.4 | N209 Q1607 P1638 Y1639 | N209-L1630 VanDerWaalsContact ND2-CD2 3.33Å; N209-L1630 WeakPolarHBondContact ND2-CD2 3.37Å; Q1607-L1630 HydrophobicContact CB-CD2 3.79Å; Q1607-L1630 HydrophobicContact CG-CD2 3.66Å; Q1607-L1630 HydrophobicContact CG-CG 4.42Å; L1630-P1638 CarbonylContact O-C 3.59Å; L1630-P1638 WeakPolarHBondContact O-CA 3.43Å; L1630-Y1639 HydrophobicContact CD1-CD1 4.29Å; L1630-Y1639 PolarHBondContact N-O 2.98Å; L1630-Y1639 PolarHBondContact O-N 2.9Å |
| 1631 | F | 80.6 | Confident | 78.7 | Confident | 27 Ų | 27 | 38 Ų | 38 | 12% | 0.118 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.6 | -178.5 | -58.8 | -100.8 | 0 | 0 | 0 | 109.2 | L1593 L1604 N1605 G1606 I1608 L1629 P1635 P1638 | L1593-F1631 HydrophobicContact CD2-CB 4.16Å; L1593-F1631 HydrophobicContact CD2-CD2 3.55Å; L1593-F1631 HydrophobicContact CD2-CE2 4.15Å; L1593-F1631 HydrophobicContact CD2-CG 3.97Å; L1604-F1631 HydrophobicContact CB-CB 3.69Å; L1604-F1631 HydrophobicContact CB-CD1 3.83Å; L1604-F1631 HydrophobicContact CB-CG 3.99Å; L1604-F1631 HydrophobicContact CD1-CD1 3.63Å; L1604-F1631 HydrophobicContact CD1-CE1 3.79Å; L1604-F1631 HydrophobicContact CD1-CG 4.31Å; L1604-F1631 HydrophobicContact CG-CD1 4.36Å; L1604-F1631 CarbonylContact O-C 3.59Å; L1604-F1631 VanDerWaalsContact O-C 3.24Å; L1604-F1631 WeakPolarHBondContact O-CB 3.48Å; N1605-F1631 CarbonylContact C-O 3.54Å; N1605-F1631 WeakPolarHBondContact CA-O 3.26Å; G1606-F1631 PolarHBondContact N-O 2.97Å; G1606-F1631 PolarHBondContact O-N 3.36Å; I1608-F1631 HydrophobicContact CB-CE2 4.2Å; I1608-F1631 HydrophobicContact CG1-CE2 3.96Å; L1629-F1631 HydrophobicContact CB-CE2 3.68Å; L1629-F1631 HydrophobicContact CB-CZ 4.19Å; L1629-F1631 WeakPolarHBondContact O-CD2 3.27Å; F1631-P1635 WeakPolarHBondContact CE1-O 3.24Å; F1631-P1638 HydrophobicContact CD1-CB 3.75Å; F1631-P1638 HydrophobicContact CD1-CG 4.31Å; F1631-P1638 HydrophobicContact CD2-CB 4.28Å; F1631-P1638 HydrophobicContact CE1-CB 3.64Å; F1631-P1638 HydrophobicContact CE1-CG 3.8Å; F1631-P1638 HydrophobicContact CE2-CB 4.18Å; F1631-P1638 HydrophobicContact CG-CB 4.08Å; F1631-P1638 HydrophobicContact CZ-CB 3.86Å; F1631-P1638 HydrophobicContact CZ-CG 4.1Å |
| 1632 | S | 67.3 | Low | 79.1 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 39.8 | 179.9 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | L1604 | L1604-S1632 PolarHBondContact O-N 2.77Å; L1604-S1632 VanDerWaalsContact O-N 3.11Å |
| 1633 | G | 71.7 | Confident | 79.1 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 8% | 0.082 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.6 | -134.2 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1603 L1604 | G1603-G1633 CarbonylContact C-O 3.54Å; G1603-G1633 WeakPolarHBondContact CA-O 3.44Å; L1604-G1633 PolarHBondContact N-O 2.83Å; L1604-G1633 PolarHBondContact O-N 3.41Å |
| 1634 | P | 70.2 | Confident | 79.1 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | trans | -60.1 | 140.6 | -176.2 | -27 | 38.3 | 0 | 0 | 0 | 114.1 | L136 D1636 Q1637 | L136-P1634 HydrophobicContact CB-CG 3.81Å; L136-P1634 HydrophobicContact CD1-CG 3.82Å; L136-P1634 HydrophobicContact CG-CG 4.47Å; P1634-D1636 WeakPolarHBondContact CB-OD1 3.45Å; P1634-D1636 PolarHBondContact O-N 3.32Å; P1634-Q1637 HydrophobicContact CB-CB 4.24Å; P1634-Q1637 HydrophobicContact CB-CG 4.49Å; P1634-Q1637 VanDerWaalsContact CG-OE1 3.32Å; P1634-Q1637 PolarHBondContact O-N 3.15Å; P1634-Q1637 VanDerWaalsContact O-N 3.13Å | ||
| 1635 | P | 73.4 | Confident | 79.2 | Confident | 46 Ų | 46 | 37.6 Ų | 37.6 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.5 | -179.7 | -21.1 | 30.2 | 0 | 0 | 0 | 114.6 | L1602 L1604 F1631 | L1602-P1635 HydrophobicContact CB-CG 4.18Å; L1602-P1635 HydrophobicContact CD2-CG 3.97Å; L1602-P1635 HydrophobicContact CG-CG 3.94Å; L1602-P1635 WeakPolarHBondContact O-CD 3.42Å; L1604-P1635 HydrophobicContact CD1-CB 3.79Å; L1604-P1635 HydrophobicContact CD1-CG 4.41Å; L1604-P1635 HydrophobicContact CG-CB 4.04Å; L1604-P1635 HydrophobicContact CG-CG 4.12Å; F1631-P1635 WeakPolarHBondContact CE1-O 3.24Å |
| 1636 | D | 70.2 | Confident | 79.4 | Confident | 106 Ų | 106 | 31.6 Ų | 31.6 | 57% | 0.567 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -7.8 | -179.9 | 53 | -12.9 | 0 | 0 | 0 | 113.7 | P1634 P1638 | P1634-D1636 WeakPolarHBondContact CB-OD1 3.45Å; P1634-D1636 PolarHBondContact O-N 3.32Å; D1636-P1638 WeakPolarHBondContact O-CD 3.19Å |
| 1637 | Q | 70.9 | Confident | 79.2 | Confident | 27 Ų | 27 | 28.7 Ų | 28.7 | 13% | 0.126 | 15% | 0.151 | C | C | . | . | trans | -116.7 | 50 | 176.7 | -68.2 | 174.5 | -43 | 0 | 0 | 114.2 | S133 P1634 D1666 | S133-Q1637 PolarHBondContact OG-NE2 2.95Å; S133-Q1637 PolarHBondContact OG-OE1 2.73Å; P1634-Q1637 HydrophobicContact CB-CB 4.24Å; P1634-Q1637 HydrophobicContact CB-CG 4.49Å; P1634-Q1637 VanDerWaalsContact CG-OE1 3.32Å; P1634-Q1637 PolarHBondContact O-N 3.15Å; P1634-Q1637 VanDerWaalsContact O-N 3.13Å; Q1637-D1666 PolarHBondContact NE2-OD2 2.89Å | ||
| 1638 | P | 82.4 | Confident | 78.6 | Confident | 13 Ų | 13 | 30.5 Ų | 30.5 | 8% | 0.084 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 144.1 | 168.8 | 27.8 | -32.2 | 0 | 0 | 0 | 111.6 | L1630 F1631 D1636 L1640 A1665 | L1630-P1638 CarbonylContact O-C 3.59Å; L1630-P1638 WeakPolarHBondContact O-CA 3.43Å; F1631-P1638 HydrophobicContact CD1-CB 3.75Å; F1631-P1638 HydrophobicContact CD1-CG 4.31Å; F1631-P1638 HydrophobicContact CD2-CB 4.28Å; F1631-P1638 HydrophobicContact CE1-CB 3.64Å; F1631-P1638 HydrophobicContact CE1-CG 3.8Å; F1631-P1638 HydrophobicContact CE2-CB 4.18Å; F1631-P1638 HydrophobicContact CG-CB 4.08Å; F1631-P1638 HydrophobicContact CZ-CB 3.86Å; F1631-P1638 HydrophobicContact CZ-CG 4.1Å; D1636-P1638 WeakPolarHBondContact O-CD 3.19Å; P1638-L1640 HydrophobicContact CG-CD2 4.16Å; P1638-L1640 PolarHBondContact O-N 3.17Å; P1638-A1665 HydrophobicContact CG-CB 4.15Å; P1638-A1665 PolarHBondContact O-N 2.82Å |
| 1639 | Y | 79.8 | Confident | 77.8 | Confident | 71 Ų | 71 | 35.8 Ų | 35.8 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 117.9 | 164 | -175.8 | -77.4 | 0 | 0 | 0 | 109.7 | L1630 G1663 | L1630-Y1639 HydrophobicContact CD1-CD1 4.29Å; L1630-Y1639 PolarHBondContact N-O 2.98Å; L1630-Y1639 PolarHBondContact O-N 2.9Å; Y1639-G1663 CarbonylContact C-O 3.57Å; Y1639-G1663 WeakPolarHBondContact CA-O 3.34Å |
| 1640 | L | 81.8 | Confident | 77 | Confident | 23 Ų | 23 | 36 Ų | 36 | 12% | 0.12 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 144.9 | 180 | -49.5 | -176.1 | 0 | 0 | 0 | 111.2 | L1629 P1638 I1642 V1661 T1662 G1663 A1665 P1668 | L1629-L1640 HydrophobicContact CD2-CD2 3.44Å; L1629-L1640 VanDerWaalsContact CD2-CD2 3.44Å; P1638-L1640 HydrophobicContact CG-CD2 4.16Å; P1638-L1640 PolarHBondContact O-N 3.17Å; L1640-I1642 HydrophobicContact CB-CD1 4.39Å; L1640-I1642 HydrophobicContact CD2-CD1 4.44Å; L1640-V1661 HydrophobicContact CB-CG1 4.45Å; L1640-V1661 HydrophobicContact CD1-CG1 3.85Å; L1640-T1662 VanDerWaalsContact O-CA 3.31Å; L1640-T1662 WeakPolarHBondContact O-CA 3.36Å; L1640-G1663 PolarHBondContact N-O 2.81Å; L1640-G1663 PolarHBondContact O-N 3.34Å; L1640-A1665 HydrophobicContact CD1-CB 4.42Å; L1640-A1665 HydrophobicContact CD2-CB 4.27Å; L1640-A1665 HydrophobicContact CG-CB 4.36Å; L1640-P1668 HydrophobicContact CD1-CB 4.07Å |
| 1641 | N | 83 | Confident | 76.1 | Confident | 39 Ų | 39 | 35.4 Ų | 35.4 | 21% | 0.209 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 72.7 | 167.5 | -166.3 | 7.3 | 0 | 0 | 0 | 110 | K1626 G1627 E1628 V1661 | K1626-N1641 PolarHBondContact NZ-ND2 3.29Å; G1627-N1641 WeakPolarHBondContact CA-O 3.31Å; E1628-N1641 HydrophobicContact CB-CB 4.15Å; E1628-N1641 PolarHBondContact N-O 3.37Å; E1628-N1641 PolarHBondContact O-N 3.33Å; E1628-N1641 PolarHBondContact OE2-ND2 3.09Å; N1641-V1661 WeakPolarHBondContact CA-O 3.37Å |
| 1642 | I | 84.3 | Confident | 75 | Confident | 36 Ų | 36 | 37.2 Ų | 37.2 | 19% | 0.185 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.4 | -168.4 | -55.3 | 169.5 | 0 | 0 | 0 | 110.3 | V1624 K1626 L1629 L1640 R1660 V1661 | V1624-I1642 HydrophobicContact CG1-CG2 4.42Å; K1626-I1642 CarbonylContact O-C 3.56Å; K1626-I1642 WeakPolarHBondContact O-CA 3.45Å; L1629-I1642 HydrophobicContact CD2-CD1 4.04Å; L1629-I1642 HydrophobicContact CD2-CG1 4.48Å; L1640-I1642 HydrophobicContact CB-CD1 4.39Å; L1640-I1642 HydrophobicContact CD2-CD1 4.44Å; I1642-R1660 CarbonylContact O-C 3.52Å; I1642-R1660 VanDerWaalsContact O-CA 3.23Å; I1642-R1660 WeakPolarHBondContact O-CA 3.28Å; I1642-R1660 VanDerWaalsContact O-CG 3.25Å; I1642-R1660 WeakPolarHBondContact O-CG 3.29Å; I1642-V1661 HydrophobicContact CB-CB 4.45Å; I1642-V1661 PolarHBondContact N-O 3.44Å; I1642-V1661 PolarHBondContact O-N 3.33Å |
| 1643 | E | 85.2 | Confident | 74.6 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 118.8 | 170.8 | -172.5 | 178.8 | 112.1 | 0 | 0 | 109.7 | R1625 K1626 R1660 F1673 | R1625-E1643 PolarHBondContact N-O 2.91Å; R1625-E1643 IonicContact NE-OE1 3.41Å; R1625-E1643 IonicContact NH1-OE1 3.65Å; K1626-E1643 HydrophobicContact CB-CB 4.11Å; K1626-E1643 PolarHBondContact N-O 2.89Å; K1626-E1643 PolarHBondContact O-N 3.01Å; E1643-R1660 HydrophobicContact CB-CG 4.36Å; E1643-R1660 IonicContact OE2-CZ 3.43Å; E1643-R1660 VanDerWaalsContact OE2-CZ 3.25Å; E1643-R1660 IonicContact OE2-NE 2.67Å; E1643-R1660 PolarHBondContact OE2-NE 2.74Å; E1643-R1660 IonicContact OE2-NH2 3.07Å; E1643-R1660 PolarHBondContact OE2-NH2 2.74Å; E1643-F1673 HydrophobicContact CG-CE1 3.59Å; E1643-F1673 HydrophobicContact CG-CZ 3.57Å |
| 1644 | A | 87.6 | Confident | 74 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1622 I1623 V1624 G1658 V1659 | L1622-A1644 HydrophobicContact CB-CB 4.3Å; L1622-A1644 HydrophobicContact CD1-CB 4.45Å; I1623-A1644 CarbonylContact O-C 3.59Å; I1623-A1644 VanDerWaalsContact O-CA 3.3Å; I1623-A1644 WeakPolarHBondContact O-CA 3.47Å; V1624-A1644 HydrophobicContact CG2-CB 4.35Å; A1644-G1658 CarbonylContact O-C 3.6Å; A1644-G1658 WeakPolarHBondContact O-CA 3.42Å; A1644-V1659 HydrophobicContact CB-CG1 4.44Å; A1644-V1659 PolarHBondContact N-O 2.99Å; A1644-V1659 PolarHBondContact O-N 2.77Å |
| 1645 | I | 87 | Confident | 73.7 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 149.8 | -178.7 | 52.9 | 163.4 | 0 | 0 | 0 | 111.2 | L1622 I1623 R1625 I1656 A1657 F1673 | L1622-I1645 CarbonylContact C-O 3.49Å; L1622-I1645 VanDerWaalsContact C-O 3.29Å; L1622-I1645 WeakPolarHBondContact CA-O 3.2Å; L1622-I1645 WeakPolarHBondContact CB-O 3.44Å; I1623-I1645 HydrophobicContact CB-CG1 4.14Å; I1623-I1645 PolarHBondContact N-O 2.83Å; I1623-I1645 WeakPolarHBondContact O-CG1 3.39Å; I1623-I1645 PolarHBondContact O-N 3.05Å; R1625-I1645 HydrophobicContact CG-CD1 4.05Å; R1625-I1645 HydrophobicContact CG-CG1 3.97Å; R1625-I1645 HydrophobicContact CG-CG2 4.39Å; I1645-I1656 HydrophobicContact CB-CG2 3.44Å; I1645-I1656 VanDerWaalsContact CB-CG2 3.44Å; I1645-I1656 HydrophobicContact CD1-CD1 4.27Å; I1645-I1656 HydrophobicContact CD1-CG2 3.77Å; I1645-I1656 HydrophobicContact CG1-CG2 4.15Å; I1645-I1656 HydrophobicContact CG2-CG2 3.63Å; I1645-A1657 CarbonylContact C-O 3.09Å; I1645-A1657 WeakPolarHBondContact CA-O 3.42Å; I1645-F1673 HydrophobicContact CG2-CE2 4.04Å; I1645-F1673 HydrophobicContact CG2-CZ 3.64Å |
| 1646 | R | 82.4 | Confident | 73.8 | Confident | 18 Ų | 18 | 40 Ų | 40 | 7% | 0.068 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 144.4 | 169.4 | -167.9 | 177.8 | 165.2 | 106.4 | 5.8 | 110.7 | L1622 P1648 A1650 T1651 A1657 Y1686 L1687 G1690 | L1622-R1646 HydrophobicContact CD2-CB 3.98Å; L1622-R1646 HydrophobicContact CD2-CG 4.26Å; R1646-P1648 WeakPolarHBondContact O-CD 3.39Å; R1646-P1648 VanDerWaalsContact O-N 3.16Å; R1646-A1650 PolarHBondContact NE-O 2.87Å; R1646-A1650 PolarHBondContact NH2-O 3.11Å; R1646-T1651 WeakPolarHBondContact CD-OG1 3.34Å; R1646-T1651 VanDerWaalsContact CG-OG1 3.23Å; R1646-T1651 WeakPolarHBondContact CG-OG1 3.37Å; R1646-T1651 PolarHBondContact NE-OG1 2.85Å; R1646-T1651 VanDerWaalsContact NE-OG1 3.11Å; R1646-A1657 PolarHBondContact N-O 3.45Å; R1646-Y1686 WeakPolarHBondContact CD-O 3.24Å; R1646-Y1686 PolarHBondContact NE-O 3.3Å; R1646-Y1686 PolarHBondContact NH1-O 3.18Å; R1646-L1687 HydrophobicContact CB-CD1 4.36Å; R1646-L1687 PolarHBondContact NH1-O 2.94Å; R1646-G1690 VanDerWaalsContact NE-CA 3.33Å; R1646-G1690 VanDerWaalsContact NH2-CA 3.34Å |
| 1647 | N | 76.5 | Confident | 74 | Confident | 18 Ų | 18 | 35 Ų | 35 | 10% | 0.096 | 19% | 0.185 | C | C | . | . | trans | -54.5 | 114.7 | 171.9 | 175.6 | 9.3 | 0 | 0 | 0 | 110.9 | R1614 D1621 I1623 D1649 A1650 T1651 | R1614-N1647 PolarHBondContact NH2-ND2 3.25Å; D1621-N1647 HydrophobicContact CB-CB 4.37Å; D1621-N1647 WeakPolarHBondContact O-CB 3.44Å; D1621-N1647 PolarHBondContact O-N 2.79Å; D1621-N1647 WeakPolarHBondContact OD2-CB 3.07Å; D1621-N1647 PolarHBondContact OD2-ND2 2.95Å; I1623-N1647 HydrophobicContact CD1-CB 4.23Å; I1623-N1647 HydrophobicContact CG1-CB 4.43Å; N1647-D1649 VanDerWaalsContact C-N 3.27Å; N1647-D1649 PolarHBondContact O-N 2.82Å; N1647-D1649 PolarHBondContact OD1-N 2.87Å; N1647-D1649 VanDerWaalsContact OD1-N 3.15Å; N1647-A1650 HydrophobicContact CB-CB 4.34Å; N1647-A1650 CarbonylContact O-C 3.6Å; N1647-A1650 PolarHBondContact O-N 3.15Å; N1647-T1651 PolarHBondContact O-N 3.47Å; N1647-T1651 PolarHBondContact O-OG1 2.9Å | ||
| 1648 | P | 70.1 | Confident | 74.7 | Confident | 41 Ų | 41 | 33.7 Ų | 33.7 | 27% | 0.266 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -59.9 | -34.5 | -177.3 | -26.2 | 36.9 | 0 | 0 | 0 | 113.4 | R1646 A1650 T1651 I1656 | R1646-P1648 WeakPolarHBondContact O-CD 3.39Å; R1646-P1648 VanDerWaalsContact O-N 3.16Å; P1648-A1650 PolarHBondContact O-N 3.35Å; P1648-A1650 VanDerWaalsContact O-N 3.17Å; P1648-T1651 PolarHBondContact O-N 3.36Å; P1648-T1651 VanDerWaalsContact O-O 3.12Å; P1648-I1656 HydrophobicContact CG-CD1 3.94Å |
| 1649 | D | 67.5 | Low | 74.7 | Confident | 155 Ų | 155 | 34.6 Ų | 34.6 | 83% | 0.829 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -63.7 | -23.6 | 178.7 | -59.7 | -36.1 | 0 | 0 | 0 | 112.7 | N1647 | N1647-D1649 VanDerWaalsContact C-N 3.27Å; N1647-D1649 PolarHBondContact O-N 2.82Å; N1647-D1649 PolarHBondContact OD1-N 2.87Å; N1647-D1649 VanDerWaalsContact OD1-N 3.15Å |
| 1650 | A | 66.4 | Low | 74.8 | Confident | 34 Ų | 34 | 35.6 Ų | 35.6 | 28% | 0.281 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -107.4 | 23.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1646 N1647 P1648 | R1646-A1650 PolarHBondContact NE-O 2.87Å; R1646-A1650 PolarHBondContact NH2-O 3.11Å; N1647-A1650 HydrophobicContact CB-CB 4.34Å; N1647-A1650 CarbonylContact O-C 3.6Å; N1647-A1650 PolarHBondContact O-N 3.15Å; P1648-A1650 PolarHBondContact O-N 3.35Å; P1648-A1650 VanDerWaalsContact O-N 3.17Å |
| 1651 | T | 60.3 | Low | 74.7 | Confident | 10 Ų | 10 | 36 Ų | 36 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -135.5 | 115 | 179.9 | -41 | 0 | 0 | 0 | 0 | 110.4 | R1646 N1647 P1648 V1655 Y1686 G1690 | R1646-T1651 WeakPolarHBondContact CD-OG1 3.34Å; R1646-T1651 VanDerWaalsContact CG-OG1 3.23Å; R1646-T1651 WeakPolarHBondContact CG-OG1 3.37Å; R1646-T1651 PolarHBondContact NE-OG1 2.85Å; R1646-T1651 VanDerWaalsContact NE-OG1 3.11Å; N1647-T1651 PolarHBondContact O-N 3.47Å; N1647-T1651 PolarHBondContact O-OG1 2.9Å; P1648-T1651 PolarHBondContact O-N 3.36Å; P1648-T1651 VanDerWaalsContact O-O 3.12Å; T1651-V1655 VanDerWaalsContact CG2-CA 3.45Å; T1651-V1655 HydrophobicContact CG2-CB 3.73Å; T1651-V1655 HydrophobicContact CG2-CG2 4.29Å; T1651-Y1686 HydrophobicContact CG2-CD1 3.67Å; T1651-Y1686 HydrophobicContact CG2-CE1 4.45Å; T1651-G1690 CarbonylContact C-O 3.49Å; T1651-G1690 WeakPolarHBondContact CA-O 3.2Å; T1651-G1690 WeakPolarHBondContact CG2-O 3.45Å |
| 1652 | E | 58 | Low | 74.4 | Confident | 65 Ų | 65 | 35.9 Ų | 35.9 | 30% | 0.304 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -59.9 | 164.8 | 178.5 | -66 | -102.1 | 99.3 | 0 | 0 | 111.1 | D1654 V1655 G1690 Q1691 R1774 | E1652-D1654 PolarHBondContact O-N 2.79Å; E1652-V1655 WeakPolarHBondContact O-CG2 3.27Å; E1652-V1655 PolarHBondContact O-N 2.81Å; E1652-V1655 VanDerWaalsContact O-N 3.07Å; E1652-G1690 PolarHBondContact N-O 2.67Å; E1652-Q1691 HydrophobicContact CB-CB 4.41Å; E1652-Q1691 HydrophobicContact CG-CB 4.31Å; E1652-R1774 IonicContact OE1-CZ 3.59Å; E1652-R1774 VanDerWaalsContact OE1-CZ 3.22Å; E1652-R1774 IonicContact OE1-NH1 3.85Å; E1652-R1774 PolarHBondContact OE1-NH1 3.19Å; E1652-R1774 IonicContact OE1-NH2 2.86Å; E1652-R1774 PolarHBondContact OE1-NH2 3.1Å |
| 1653 | D | 57.1 | Low | 73.7 | Confident | 36 Ų | 36 | 34.8 Ų | 34.8 | 19% | 0.193 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | 61.1 | -2.6 | 178.2 | -50.7 | -77.2 | 0 | 0 | 0 | 117.4 | G494 K495 W526 V1655 Y1686 | G494-D1653 WeakPolarHBondContact CA-OD1 3.39Å; G494-D1653 WeakPolarHBondContact CA-OD2 3.41Å; K495-D1653 HydrophobicContact CB-CB 4.04Å; K495-D1653 WeakPolarHBondContact CB-O 3.22Å; K495-D1653 WeakPolarHBondContact CD-O 3.48Å; K495-D1653 HydrophobicContact CG-CB 3.86Å; K495-D1653 WeakPolarHBondContact CG-O 3.28Å; W526-D1653 PolarHBondContact NE1-O 2.88Å; D1653-V1655 HydrophobicContact CB-CG2 4.24Å; D1653-Y1686 PolarHBondContact OD2-OH 2.85Å |
| 1654 | D | 60.6 | Low | 73 | Confident | 81 Ų | 81 | 35.6 Ų | 35.6 | 43% | 0.433 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | 85.9 | 13.3 | -168.7 | -64.3 | -81.4 | 0 | 0 | 0 | 116.6 | K495 W526 E1652 I1656 | K495-D1654 HydrophobicContact CD-CB 3.91Å; K495-D1654 WeakPolarHBondContact CE-O 3.33Å; K495-D1654 VanDerWaalsContact NZ-C 3.35Å; K495-D1654 PolarHBondContact NZ-O 3.42Å; W526-D1654 HydrophobicContact CZ2-CB 3.82Å; W526-D1654 WeakPolarHBondContact CZ2-OD2 3.19Å; E1652-D1654 PolarHBondContact O-N 2.79Å; D1654-I1656 PolarHBondContact O-N 2.89Å; D1654-I1656 VanDerWaalsContact O-N 3.09Å |
| 1655 | V | 63.5 | Low | 72.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -2.5 | 79.7 | 165.9 | -109.1 | 0 | 0 | 0 | 0 | 123.1 | K495 T1651 E1652 D1653 A1657 M1678 Y1686 | K495-V1655 HydrophobicContact CD-CG2 4.31Å; K495-V1655 HydrophobicContact CG-CB 4.39Å; K495-V1655 HydrophobicContact CG-CG1 4.38Å; K495-V1655 HydrophobicContact CG-CG2 3.63Å; T1651-V1655 VanDerWaalsContact CG2-CA 3.45Å; T1651-V1655 HydrophobicContact CG2-CB 3.73Å; T1651-V1655 HydrophobicContact CG2-CG2 4.29Å; E1652-V1655 WeakPolarHBondContact O-CG2 3.27Å; E1652-V1655 PolarHBondContact O-N 2.81Å; E1652-V1655 VanDerWaalsContact O-N 3.07Å; D1653-V1655 HydrophobicContact CB-CG2 4.24Å; V1655-A1657 HydrophobicContact CG1-CB 4.34Å; V1655-A1657 PolarHBondContact O-N 3.01Å; V1655-M1678 HydrophobicContact CG1-CE 3.87Å; V1655-Y1686 HydrophobicContact CB-CD1 3.6Å; V1655-Y1686 HydrophobicContact CB-CE1 4.09Å; V1655-Y1686 HydrophobicContact CB-CG 3.86Å; V1655-Y1686 HydrophobicContact CG1-CD1 4.48Å; V1655-Y1686 HydrophobicContact CG1-CG 4.26Å; V1655-Y1686 HydrophobicContact CG2-CD1 3.18Å; V1655-Y1686 HydrophobicContact CG2-CD2 4.03Å; V1655-Y1686 HydrophobicContact CG2-CE1 3.14Å; V1655-Y1686 HydrophobicContact CG2-CE2 4.01Å; V1655-Y1686 HydrophobicContact CG2-CG 3.65Å | ||
| 1656 | I | 75 | Confident | 71.1 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | trans | -61.6 | 26.6 | 158.7 | 25.8 | 175.6 | 0 | 0 | 0 | 117.3 | K495 P529 I1645 P1648 D1654 S1674 D1675 | K495-I1656 VanDerWaalsContact CE-N 3.33Å; K495-I1656 VanDerWaalsContact NZ-N 3.19Å; P529-I1656 HydrophobicContact CB-CD1 3.48Å; P529-I1656 VanDerWaalsContact CB-CD1 3.48Å; P529-I1656 HydrophobicContact CB-CG1 4.04Å; P529-I1656 HydrophobicContact CG-CD1 3.67Å; P529-I1656 HydrophobicContact CG-CG1 3.9Å; I1645-I1656 HydrophobicContact CB-CG2 3.44Å; I1645-I1656 VanDerWaalsContact CB-CG2 3.44Å; I1645-I1656 HydrophobicContact CD1-CD1 4.27Å; I1645-I1656 HydrophobicContact CD1-CG2 3.77Å; I1645-I1656 HydrophobicContact CG1-CG2 4.15Å; I1645-I1656 HydrophobicContact CG2-CG2 3.63Å; P1648-I1656 HydrophobicContact CG-CD1 3.94Å; D1654-I1656 PolarHBondContact O-N 2.89Å; D1654-I1656 VanDerWaalsContact O-N 3.09Å; I1656-S1674 CarbonylContact O-C 3.52Å; I1656-S1674 VanDerWaalsContact O-C 3.28Å; I1656-S1674 WeakPolarHBondContact O-CA 3.35Å; I1656-D1675 WeakPolarHBondContact CA-O 3.22Å; I1656-D1675 HydrophobicContact CB-CB 4.46Å; I1656-D1675 PolarHBondContact N-O 2.87Å; I1656-D1675 VanDerWaalsContact N-O 3.15Å; I1656-D1675 PolarHBondContact O-N 2.88Å | ||
| 1657 | A | 75.5 | Confident | 70.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -71.3 | 142.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1645 R1646 V1655 L1687 | I1645-A1657 CarbonylContact C-O 3.09Å; I1645-A1657 WeakPolarHBondContact CA-O 3.42Å; R1646-A1657 PolarHBondContact N-O 3.45Å; V1655-A1657 HydrophobicContact CG1-CB 4.34Å; V1655-A1657 PolarHBondContact O-N 3.01Å; A1657-L1687 HydrophobicContact CB-CB 4.5Å | ||
| 1658 | G | 84.4 | Confident | 70 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 178.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1644 I1672 F1673 | A1644-G1658 CarbonylContact O-C 3.6Å; A1644-G1658 WeakPolarHBondContact O-CA 3.42Å; G1658-I1672 WeakPolarHBondContact O-CA 3.5Å; G1658-I1672 WeakPolarHBondContact O-CG2 3.48Å; G1658-F1673 VanDerWaalsContact C-CE1 3.48Å; G1658-F1673 PolarHBondContact N-O 2.9Å; G1658-F1673 PolarHBondContact O-N 2.83Å |
| 1659 | V | 82.3 | Confident | 69.9 | Low | 31 Ų | 31 | 51.5 Ų | 51.5 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 135.6 | 176.4 | 62.4 | 0 | 0 | 0 | 0 | 109.9 | L1622 A1644 V1661 A1670 | L1622-V1659 HydrophobicContact CD1-CG1 4.23Å; A1644-V1659 HydrophobicContact CB-CG1 4.44Å; A1644-V1659 PolarHBondContact N-O 2.99Å; A1644-V1659 PolarHBondContact O-N 2.77Å; V1659-V1661 HydrophobicContact CG2-CG2 4.18Å; V1659-A1670 HydrophobicContact CG2-CB 4.36Å |
| 1660 | R | 83.2 | Confident | 70.2 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 35% | 0.351 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.3 | 169.1 | -167.6 | -177.8 | -63.7 | 124.9 | 1.1 | 109 | I1642 E1643 T1662 A1670 E1671 F1673 | I1642-R1660 CarbonylContact O-C 3.52Å; I1642-R1660 VanDerWaalsContact O-CA 3.23Å; I1642-R1660 WeakPolarHBondContact O-CA 3.28Å; I1642-R1660 VanDerWaalsContact O-CG 3.25Å; I1642-R1660 WeakPolarHBondContact O-CG 3.29Å; E1643-R1660 HydrophobicContact CB-CG 4.36Å; E1643-R1660 IonicContact OE2-CZ 3.43Å; E1643-R1660 VanDerWaalsContact OE2-CZ 3.25Å; E1643-R1660 IonicContact OE2-NE 2.67Å; E1643-R1660 PolarHBondContact OE2-NE 2.74Å; E1643-R1660 IonicContact OE2-NH2 3.07Å; E1643-R1660 PolarHBondContact OE2-NH2 2.74Å; R1660-T1662 HydrophobicContact CG-CG2 4.42Å; R1660-A1670 CarbonylContact O-C 3.58Å; R1660-A1670 WeakPolarHBondContact O-CA 3.4Å; R1660-E1671 PolarHBondContact N-O 3.41Å; R1660-E1671 PolarHBondContact O-N 3.23Å; R1660-F1673 HydrophobicContact CB-CD1 4.34Å; R1660-F1673 HydrophobicContact CB-CE1 4.45Å |
| 1661 | V | 79.1 | Confident | 70.5 | Confident | 30 Ų | 30 | 48.4 Ų | 48.4 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 121.6 | -178.6 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | L1640 N1641 I1642 V1659 P1668 K1669 A1670 | L1640-V1661 HydrophobicContact CB-CG1 4.45Å; L1640-V1661 HydrophobicContact CD1-CG1 3.85Å; N1641-V1661 WeakPolarHBondContact CA-O 3.37Å; I1642-V1661 HydrophobicContact CB-CB 4.45Å; I1642-V1661 PolarHBondContact N-O 3.44Å; I1642-V1661 PolarHBondContact O-N 3.33Å; V1659-V1661 HydrophobicContact CG2-CG2 4.18Å; V1661-P1668 HydrophobicContact CG1-CB 3.75Å; V1661-K1669 WeakPolarHBondContact CA-O 3.1Å; V1661-A1670 HydrophobicContact CG2-CB 4.35Å |
| 1662 | T | 76.6 | Confident | 71.2 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 137.6 | -178.6 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | L1640 R1660 K1669 | L1640-T1662 VanDerWaalsContact O-CA 3.31Å; L1640-T1662 WeakPolarHBondContact O-CA 3.36Å; R1660-T1662 HydrophobicContact CG-CG2 4.42Å; T1662-K1669 PolarHBondContact N-O 2.79Å; T1662-K1669 WeakPolarHBondContact O-CA 3.01Å; T1662-K1669 WeakPolarHBondContact O-CB 3.36Å; T1662-K1669 PolarHBondContact O-N 2.55Å |
| 1663 | G | 69.4 | Low | 72 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 13% | 0.134 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.6 | -177.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y1639 L1640 | Y1639-G1663 CarbonylContact C-O 3.57Å; Y1639-G1663 WeakPolarHBondContact CA-O 3.34Å; L1640-G1663 PolarHBondContact N-O 2.81Å; L1640-G1663 PolarHBondContact O-N 3.34Å |
| 1664 | L | 71.1 | Confident | 72.2 | Confident | 45 Ų | 45 | 45.8 Ų | 45.8 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 161 | 169.8 | -63.4 | 174 | 0 | 0 | 0 | 110.3 | D1666 E1667 P1668 | L1664-D1666 VanDerWaalsContact C-N 3.27Å; L1664-D1666 WeakPolarHBondContact CB-OD1 3.33Å; L1664-D1666 PolarHBondContact O-N 2.66Å; L1664-E1667 CarbonylContact O-C 3.41Å; L1664-E1667 PolarHBondContact O-N 2.92Å; L1664-P1668 VanDerWaalsContact O-CA 3.27Å; L1664-P1668 WeakPolarHBondContact O-CA 3.23Å; L1664-P1668 WeakPolarHBondContact O-CB 3.24Å; L1664-P1668 VanDerWaalsContact O-N 3.08Å |
| 1665 | A | 70 | Confident | 71.8 | Confident | 37 Ų | 37 | 42.1 Ų | 42.1 | 31% | 0.306 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -69.9 | -22.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1638 L1640 | P1638-A1665 HydrophobicContact CG-CB 4.15Å; P1638-A1665 PolarHBondContact O-N 2.82Å; L1640-A1665 HydrophobicContact CD1-CB 4.42Å; L1640-A1665 HydrophobicContact CD2-CB 4.27Å; L1640-A1665 HydrophobicContact CG-CB 4.36Å |
| 1666 | D | 65.1 | Low | 70.8 | Confident | 79 Ų | 79 | 42.1 Ų | 42.1 | 42% | 0.422 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -89.5 | -32.2 | 174.7 | 55.8 | -15.7 | 0 | 0 | 0 | 113.3 | Q1637 L1664 P1668 | Q1637-D1666 PolarHBondContact NE2-OD2 2.89Å; L1664-D1666 VanDerWaalsContact C-N 3.27Å; L1664-D1666 WeakPolarHBondContact CB-OD1 3.33Å; L1664-D1666 PolarHBondContact O-N 2.66Å; D1666-P1668 VanDerWaalsContact O-CD 3.25Å; D1666-P1668 WeakPolarHBondContact O-CD 3.4Å |
| 1667 | E | 61.4 | Low | 69.9 | Low | 155 Ų | 155 | 41.2 Ų | 41.2 | 72% | 0.724 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -113.4 | 59 | 169.5 | -62.4 | -172.4 | 172.9 | 0 | 0 | 113.5 | L1664 K1669 | L1664-E1667 CarbonylContact O-C 3.41Å; L1664-E1667 PolarHBondContact O-N 2.92Å; E1667-K1669 PolarHBondContact O-N 2.87Å |
| 1668 | P | 73 | Confident | 69 | Low | 58 Ų | 58 | 41.5 Ų | 41.5 | 38% | 0.377 | 23% | 0.226 | S | C | . | . | trans | -82.7 | 114.1 | -173.6 | 32.5 | -35.7 | 0 | 0 | 0 | 112.3 | L1640 V1661 L1664 D1666 A1670 | L1640-P1668 HydrophobicContact CD1-CB 4.07Å; V1661-P1668 HydrophobicContact CG1-CB 3.75Å; L1664-P1668 VanDerWaalsContact O-CA 3.27Å; L1664-P1668 WeakPolarHBondContact O-CA 3.23Å; L1664-P1668 WeakPolarHBondContact O-CB 3.24Å; L1664-P1668 VanDerWaalsContact O-N 3.08Å; D1666-P1668 VanDerWaalsContact O-CD 3.25Å; D1666-P1668 WeakPolarHBondContact O-CD 3.4Å; P1668-A1670 PolarHBondContact O-N 2.84Å; P1668-A1670 VanDerWaalsContact O-N 3.1Å | ||
| 1669 | K | 68.1 | Low | 68.1 | Low | 102 Ų | 102 | 42.2 Ų | 42.2 | 44% | 0.443 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 103.5 | 173.8 | -160.5 | -164.5 | -169.4 | -159.7 | 0 | 110.6 | V1661 T1662 E1667 E1671 | V1661-K1669 WeakPolarHBondContact CA-O 3.1Å; T1662-K1669 PolarHBondContact N-O 2.79Å; T1662-K1669 WeakPolarHBondContact O-CA 3.01Å; T1662-K1669 WeakPolarHBondContact O-CB 3.36Å; T1662-K1669 PolarHBondContact O-N 2.55Å; E1667-K1669 PolarHBondContact O-N 2.87Å; K1669-E1671 WeakPolarHBondContact CE-OE1 3.36Å; K1669-E1671 IonicContact NZ-OE1 2.74Å; K1669-E1671 PolarHBondContact NZ-OE1 3Å |
| 1670 | A | 73.6 | Confident | 67 | Low | 66 Ų | 66 | 45.7 Ų | 45.7 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1659 R1660 V1661 P1668 | V1659-A1670 HydrophobicContact CG2-CB 4.36Å; R1660-A1670 CarbonylContact O-C 3.58Å; R1660-A1670 WeakPolarHBondContact O-CA 3.4Å; V1661-A1670 HydrophobicContact CG2-CB 4.35Å; P1668-A1670 PolarHBondContact O-N 2.84Å; P1668-A1670 VanDerWaalsContact O-N 3.1Å |
| 1671 | E | 74.3 | Confident | 65.9 | Low | 59 Ų | 59 | 46.1 Ų | 46.1 | 28% | 0.276 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.7 | 172 | -69.7 | -171.1 | -171.9 | 0 | 0 | 110.5 | R1660 K1669 | R1660-E1671 PolarHBondContact N-O 3.41Å; R1660-E1671 PolarHBondContact O-N 3.23Å; K1669-E1671 WeakPolarHBondContact CE-OE1 3.36Å; K1669-E1671 IonicContact NZ-OE1 2.74Å; K1669-E1671 PolarHBondContact NZ-OE1 3Å |
| 1672 | I | 74.6 | Confident | 65.2 | Low | 37 Ų | 37 | 45.4 Ų | 45.4 | 19% | 0.19 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 133.2 | 168.6 | -60.2 | 176 | 0 | 0 | 0 | 108.6 | G1658 Q1680 A1683 L1684 | G1658-I1672 WeakPolarHBondContact O-CA 3.5Å; G1658-I1672 WeakPolarHBondContact O-CG2 3.48Å; I1672-Q1680 HydrophobicContact CB-CG 4.18Å; I1672-Q1680 PolarHBondContact O-NE2 2.8Å; I1672-A1683 HydrophobicContact CG2-CB 3.61Å; I1672-L1684 HydrophobicContact CD1-CB 4.07Å; I1672-L1684 HydrophobicContact CD1-CD1 3.84Å; I1672-L1684 HydrophobicContact CD1-CG 4.41Å |
| 1673 | F | 74.3 | Confident | 64.9 | Low | 17 Ų | 17 | 43.8 Ų | 43.8 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 172.2 | 175.8 | 74.4 | -87 | 0 | 0 | 0 | 110.4 | E1643 I1645 G1658 R1660 | E1643-F1673 HydrophobicContact CG-CE1 3.59Å; E1643-F1673 HydrophobicContact CG-CZ 3.57Å; I1645-F1673 HydrophobicContact CG2-CE2 4.04Å; I1645-F1673 HydrophobicContact CG2-CZ 3.64Å; G1658-F1673 VanDerWaalsContact C-CE1 3.48Å; G1658-F1673 PolarHBondContact N-O 2.9Å; G1658-F1673 PolarHBondContact O-N 2.83Å; R1660-F1673 HydrophobicContact CB-CD1 4.34Å; R1660-F1673 HydrophobicContact CB-CE1 4.45Å |
| 1674 | S | 61.2 | Low | 65 | Low | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -141.9 | 175.8 | 163 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | G381 G382 L383 E527 I1656 P1676 A1677 M1678 | G381-S1674 PolarHBondContact O-N 2.87Å; G382-S1674 WeakPolarHBondContact CA-O 3.29Å; L383-S1674 PolarHBondContact N-O 3.27Å; E527-S1674 WeakPolarHBondContact OE1-CB 3.27Å; E527-S1674 PolarHBondContact OE1-OG 3.08Å; I1656-S1674 CarbonylContact O-C 3.52Å; I1656-S1674 VanDerWaalsContact O-C 3.28Å; I1656-S1674 WeakPolarHBondContact O-CA 3.35Å; S1674-P1676 CarbonylContact C-O 3.57Å; S1674-A1677 WeakPolarHBondContact OG-CA 3.24Å; S1674-M1678 PolarHBondContact OG-N 2.88Å |
| 1675 | D | 52.6 | Low | 64.7 | Low | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -127 | 105.1 | 153.7 | -168.3 | 3.8 | 0 | 0 | 0 | 105.6 | L383 K495 E527 V530 G531 I1656 | L383-D1675 HydrophobicContact CB-CB 3.98Å; L383-D1675 VanDerWaalsContact CB-OD1 3.27Å; L383-D1675 WeakPolarHBondContact CB-OD1 3.3Å; L383-D1675 WeakPolarHBondContact CB-OD2 3.12Å; L383-D1675 HydrophobicContact CD1-CB 4.24Å; L383-D1675 WeakPolarHBondContact CD1-OD2 3.23Å; K495-D1675 WeakPolarHBondContact CE-O 3.44Å; K495-D1675 PolarHBondContact NZ-O 2.94Å; E527-D1675 VanDerWaalsContact CD-C 3.44Å; V530-D1675 PolarHBondContact N-OD2 2.87Å; G531-D1675 WeakPolarHBondContact CA-OD1 3.42Å; G531-D1675 PolarHBondContact N-OD1 2.84Å; G531-D1675 PolarHBondContact N-OD2 2.82Å; I1656-D1675 WeakPolarHBondContact CA-O 3.22Å; I1656-D1675 HydrophobicContact CB-CB 4.46Å; I1656-D1675 PolarHBondContact N-O 2.87Å; I1656-D1675 VanDerWaalsContact N-O 3.15Å; I1656-D1675 PolarHBondContact O-N 2.88Å |
| 1676 | P | 42.7 | Very low | 64.9 | Low | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | cis | -56.2 | -112.9 | 14.1 | 1.7 | -1.4 | 0 | 0 | 0 | 118.4 | L383 M384 K495 E527 S1674 | L383-P1676 PolarHBondContact N-O 2.82Å; M384-P1676 VanDerWaalsContact CB-C 3.5Å; M384-P1676 VanDerWaalsContact CB-CA 3.43Å; M384-P1676 HydrophobicContact CB-CB 3.5Å; M384-P1676 HydrophobicContact CE-CB 3.7Å; M384-P1676 HydrophobicContact CG-CB 3.97Å; M384-P1676 VanDerWaalsContact N-C 3.31Å; M384-P1676 PolarHBondContact N-O 3.21Å; M384-P1676 HydrophobicContact SD-CB 3.45Å; M384-P1676 WeakPolarHBondContact SD-CB 3.4Å; K495-P1676 HydrophobicContact CB-CG 4.3Å; E527-P1676 HydrophobicContact CB-CB 3.34Å; E527-P1676 HydrophobicContact CB-CG 2.68Å; E527-P1676 HydrophobicContact CG-CB 2.28Å; E527-P1676 HydrophobicContact CG-CG 2.31Å; E527-P1676 WeakPolarHBondContact OE1-CA 3.38Å; E527-P1676 WeakPolarHBondContact OE1-CB 3.47Å; E527-P1676 WeakPolarHBondContact OE1-CD 3.32Å; E527-P1676 WeakPolarHBondContact OE1-CG 3.47Å; E527-P1676 WeakPolarHBondContact OE2-CA 3.37Å; E527-P1676 WeakPolarHBondContact OE2-CB 3.28Å; E527-P1676 VanDerWaalsContact OE2-CD 3.3Å; E527-P1676 WeakPolarHBondContact OE2-CD 3.27Å; E527-P1676 WeakPolarHBondContact OE2-CG 3.41Å; S1674-P1676 CarbonylContact C-O 3.57Å |
| 1677 | A | 56 | Low | 65.2 | Low | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -157.5 | 106.6 | 153 | 0 | 0 | 0 | 0 | 0 | 104.8 | G381 M384 P385 A386 E527 S1674 | G381-A1677 WeakPolarHBondContact O-CB 3.23Å; M384-A1677 VanDerWaalsContact O-CB 3.24Å; M384-A1677 WeakPolarHBondContact O-CB 3.44Å; M384-A1677 PolarHBondContact O-N 2.75Å; P385-A1677 VanDerWaalsContact C-CB 3.49Å; P385-A1677 VanDerWaalsContact CA-CB 3.47Å; A386-A1677 HydrophobicContact CB-CB 3.89Å; E527-A1677 PolarHBondContact OE1-N 2.75Å; E527-A1677 VanDerWaalsContact OE2-C 3.24Å; E527-A1677 PolarHBondContact OE2-N 2.81Å; S1674-A1677 WeakPolarHBondContact OG-CA 3.24Å | ||
| 1678 | M | 55.2 | Low | 65.5 | Low | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.034 | 18% | 0.184 | C | C | . | . | trans | -93.9 | -176.5 | 171.3 | 59.3 | -170 | 80.5 | 0 | 0 | 109.9 | W497 E527 V1655 S1674 A1682 A1683 Y1686 | W497-M1678 HydrophobicContact CZ2-CB 4.05Å; E527-M1678 WeakPolarHBondContact OE1-CE 3.31Å; E527-M1678 WeakPolarHBondContact OE2-CE 3.27Å; E527-M1678 PolarHBondContact OE2-N 2.94Å; E527-M1678 VanDerWaalsContact OE2-N 3.15Å; V1655-M1678 HydrophobicContact CG1-CE 3.87Å; S1674-M1678 PolarHBondContact OG-N 2.88Å; M1678-A1682 HydrophobicContact CB-CB 3.88Å; M1678-A1682 HydrophobicContact CG-CB 3.69Å; M1678-A1682 HydrophobicContact SD-CB 3.54Å; M1678-A1682 VanDerWaalsContact SD-CB 3.54Å; M1678-A1682 VanDerWaalsContact SD-O 3.41Å; M1678-A1683 HydrophobicContact CG-CB 3.82Å; M1678-A1683 HydrophobicContact SD-CB 4.48Å; M1678-A1683 PolarHBondContact SD-N 2.67Å; M1678-Y1686 HydrophobicContact CE-CD2 3.84Å; M1678-Y1686 HydrophobicContact CE-CE2 4.14Å; M1678-Y1686 HydrophobicContact SD-CD2 3.58Å; M1678-Y1686 VanDerWaalsContact SD-CD2 3.58Å; M1678-Y1686 HydrophobicContact SD-CE2 4.1Å | ||
| 1679 | S | 65.9 | Low | 65.1 | Low | 14 Ų | 14 | 35 Ų | 35 | 10% | 0.098 | 18% | 0.179 | C | C | . | . | trans | -65 | 160.7 | 171.4 | 60.7 | 0 | 0 | 0 | 0 | 110.8 | D423 Q1681 A1682 A1683 | D423-S1679 WeakPolarHBondContact OD1-CB 2.91Å; D423-S1679 PolarHBondContact OD1-OG 2.85Å; D423-S1679 PolarHBondContact OD2-OG 2.81Å; S1679-Q1681 PolarHBondContact O-N 2.69Å; S1679-A1682 PolarHBondContact O-N 2.64Å; S1679-A1682 PolarHBondContact OG-N 3.26Å; S1679-A1683 WeakPolarHBondContact O-CB 3.36Å; S1679-A1683 PolarHBondContact O-N 2.99Å | ||
| 1680 | Q | 60.4 | Low | 64.9 | Low | 104 Ų | 104 | 30.3 Ų | 30.3 | 49% | 0.486 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.4 | -30.7 | 177.8 | -75.1 | -166.1 | -28 | 0 | 0 | 112 | I1672 L1684 | I1672-Q1680 HydrophobicContact CB-CG 4.18Å; I1672-Q1680 PolarHBondContact O-NE2 2.8Å; Q1680-L1684 WeakPolarHBondContact O-CB 3.07Å; Q1680-L1684 PolarHBondContact O-N 2.95Å |
| 1681 | Q | 58.5 | Low | 64.4 | Low | 102 Ų | 102 | 31.8 Ų | 31.8 | 48% | 0.477 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62 | -49.6 | 173.7 | -63.7 | 84.2 | -23.1 | 0 | 0 | 111.6 | S1679 S1685 | S1679-Q1681 PolarHBondContact O-N 2.69Å; Q1681-S1685 PolarHBondContact O-N 2.87Å |
| 1682 | A | 64.3 | Low | 63.6 | Low | 16 Ų | 16 | 29.7 Ų | 29.7 | 13% | 0.132 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.6 | -38.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1678 S1679 S1685 Y1686 | M1678-A1682 HydrophobicContact CB-CB 3.88Å; M1678-A1682 HydrophobicContact CG-CB 3.69Å; M1678-A1682 HydrophobicContact SD-CB 3.54Å; M1678-A1682 VanDerWaalsContact SD-CB 3.54Å; M1678-A1682 VanDerWaalsContact SD-O 3.41Å; S1679-A1682 PolarHBondContact O-N 2.64Å; S1679-A1682 PolarHBondContact OG-N 3.26Å; A1682-S1685 VanDerWaalsContact O-CB 3.3Å; A1682-S1685 WeakPolarHBondContact O-CB 3.28Å; A1682-S1685 PolarHBondContact O-N 2.61Å; A1682-Y1686 PolarHBondContact O-N 3.2Å |
| 1683 | A | 71.2 | Confident | 62.7 | Low | 2 Ų | 2 | 30.2 Ų | 30.2 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1672 M1678 S1679 Y1686 L1687 | I1672-A1683 HydrophobicContact CG2-CB 3.61Å; M1678-A1683 HydrophobicContact CG-CB 3.82Å; M1678-A1683 HydrophobicContact SD-CB 4.48Å; M1678-A1683 PolarHBondContact SD-N 2.67Å; S1679-A1683 WeakPolarHBondContact O-CB 3.36Å; S1679-A1683 PolarHBondContact O-N 2.99Å; A1683-Y1686 PolarHBondContact O-N 3.07Å; A1683-L1687 WeakPolarHBondContact O-CB 3.42Å; A1683-L1687 PolarHBondContact O-N 2.87Å |
| 1684 | L | 71.2 | Confident | 61.4 | Low | 64 Ų | 64 | 36.3 Ų | 36.3 | 34% | 0.335 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65 | -37.8 | 171.2 | -177.7 | 66.6 | 0 | 0 | 0 | 111.7 | I1672 Q1680 Y1686 L1687 L1688 | I1672-L1684 HydrophobicContact CD1-CB 4.07Å; I1672-L1684 HydrophobicContact CD1-CD1 3.84Å; I1672-L1684 HydrophobicContact CD1-CG 4.41Å; Q1680-L1684 WeakPolarHBondContact O-CB 3.07Å; Q1680-L1684 PolarHBondContact O-N 2.95Å; L1684-Y1686 VanDerWaalsContact C-N 3.34Å; L1684-Y1686 PolarHBondContact O-N 2.77Å; L1684-L1687 HydrophobicContact CD1-CD2 4.3Å; L1684-L1687 PolarHBondContact O-N 2.88Å; L1684-L1688 HydrophobicContact CD1-CD1 3.59Å; L1684-L1688 HydrophobicContact CD1-CG 3.81Å; L1684-L1688 HydrophobicContact CD2-CD1 4.46Å; L1684-L1688 HydrophobicContact CG-CD1 3.83Å; L1684-L1688 HydrophobicContact CG-CG 4.26Å; L1684-L1688 VanDerWaalsContact O-CB 3.29Å; L1684-L1688 WeakPolarHBondContact O-CB 3.42Å; L1684-L1688 WeakPolarHBondContact O-CG 3.44Å; L1684-L1688 PolarHBondContact O-N 2.89Å |
| 1685 | S | 64.6 | Low | 60.6 | Low | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.7 | -46.5 | 171.4 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | Q1681 A1682 L1688 R1689 Q1691 G1692 | Q1681-S1685 PolarHBondContact O-N 2.87Å; A1682-S1685 VanDerWaalsContact O-CB 3.3Å; A1682-S1685 WeakPolarHBondContact O-CB 3.28Å; A1682-S1685 PolarHBondContact O-N 2.61Å; S1685-L1688 PolarHBondContact O-N 2.83Å; S1685-R1689 WeakPolarHBondContact O-CB 3.31Å; S1685-R1689 PolarHBondContact O-N 2.83Å; S1685-R1689 VanDerWaalsContact OG-CZ 3.24Å; S1685-R1689 PolarHBondContact OG-NH2 2.92Å; S1685-Q1691 CarbonylContact C-O 3.59Å; S1685-Q1691 PolarHBondContact OG-O 2.86Å; S1685-G1692 VanDerWaalsContact OG-C 3.29Å |
| 1686 | Y | 73.7 | Confident | 60.1 | Low | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -44.1 | 174.5 | -87.7 | -76 | 0 | 0 | 0 | 112.2 | G494 R1646 T1651 D1653 V1655 M1678 A1682 A1683 L1684 L1688 G1690 Q1691 G1692 | G494-Y1686 WeakPolarHBondContact CA-OH 3.49Å; R1646-Y1686 WeakPolarHBondContact CD-O 3.24Å; R1646-Y1686 PolarHBondContact NE-O 3.3Å; R1646-Y1686 PolarHBondContact NH1-O 3.18Å; T1651-Y1686 HydrophobicContact CG2-CD1 3.67Å; T1651-Y1686 HydrophobicContact CG2-CE1 4.45Å; D1653-Y1686 PolarHBondContact OD2-OH 2.85Å; V1655-Y1686 HydrophobicContact CB-CD1 3.6Å; V1655-Y1686 HydrophobicContact CB-CE1 4.09Å; V1655-Y1686 HydrophobicContact CB-CG 3.86Å; V1655-Y1686 HydrophobicContact CG1-CD1 4.48Å; V1655-Y1686 HydrophobicContact CG1-CG 4.26Å; V1655-Y1686 HydrophobicContact CG2-CD1 3.18Å; V1655-Y1686 HydrophobicContact CG2-CD2 4.03Å; V1655-Y1686 HydrophobicContact CG2-CE1 3.14Å; V1655-Y1686 HydrophobicContact CG2-CE2 4.01Å; V1655-Y1686 HydrophobicContact CG2-CG 3.65Å; M1678-Y1686 HydrophobicContact CE-CD2 3.84Å; M1678-Y1686 HydrophobicContact CE-CE2 4.14Å; M1678-Y1686 HydrophobicContact SD-CD2 3.58Å; M1678-Y1686 VanDerWaalsContact SD-CD2 3.58Å; M1678-Y1686 HydrophobicContact SD-CE2 4.1Å; A1682-Y1686 PolarHBondContact O-N 3.2Å; A1683-Y1686 PolarHBondContact O-N 3.07Å; L1684-Y1686 VanDerWaalsContact C-N 3.34Å; L1684-Y1686 PolarHBondContact O-N 2.77Å; Y1686-L1688 PolarHBondContact O-N 2.85Å; Y1686-G1690 WeakPolarHBondContact CD1-O 2.99Å; Y1686-G1690 WeakPolarHBondContact CE1-O 3.48Å; Y1686-G1690 WeakPolarHBondContact O-CA 3.45Å; Y1686-G1690 PolarHBondContact O-N 2.99Å; Y1686-Q1691 VanDerWaalsContact CE1-C 3.5Å; Y1686-G1692 VanDerWaalsContact CZ-CA 3.5Å; Y1686-G1692 WeakPolarHBondContact OH-CA 3.37Å; Y1686-G1692 PolarHBondContact OH-N 2.65Å |
| 1687 | L | 72.8 | Confident | 59.9 | Low | 16 Ų | 16 | 49.9 Ų | 49.9 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.3 | -37.2 | 176.3 | -160.8 | 70.9 | 0 | 0 | 0 | 111.8 | L1622 R1646 A1657 A1683 L1684 | L1622-L1687 HydrophobicContact CD1-CD1 4.21Å; L1622-L1687 HydrophobicContact CD2-CD1 3.57Å; L1622-L1687 HydrophobicContact CD2-CG 4.25Å; R1646-L1687 HydrophobicContact CB-CD1 4.36Å; R1646-L1687 PolarHBondContact NH1-O 2.94Å; A1657-L1687 HydrophobicContact CB-CB 4.5Å; A1683-L1687 WeakPolarHBondContact O-CB 3.42Å; A1683-L1687 PolarHBondContact O-N 2.87Å; L1684-L1687 HydrophobicContact CD1-CD2 4.3Å; L1684-L1687 PolarHBondContact O-N 2.88Å |
| 1688 | L | 66.7 | Low | 59.3 | Low | 43 Ų | 43 | 52.6 Ų | 52.6 | 23% | 0.225 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -102 | -19.4 | -174 | -66.2 | -176.5 | 0 | 0 | 0 | 116.8 | Q1620 L1684 S1685 Y1686 M1706 | Q1620-L1688 HydrophobicContact CG-CD2 3.99Å; Q1620-L1688 PolarHBondContact NE2-O 2.7Å; Q1620-L1688 PolarHBondContact OE1-O 2.81Å; L1684-L1688 HydrophobicContact CD1-CD1 3.59Å; L1684-L1688 HydrophobicContact CD1-CG 3.81Å; L1684-L1688 HydrophobicContact CD2-CD1 4.46Å; L1684-L1688 HydrophobicContact CG-CD1 3.83Å; L1684-L1688 HydrophobicContact CG-CG 4.26Å; L1684-L1688 VanDerWaalsContact O-CB 3.29Å; L1684-L1688 WeakPolarHBondContact O-CB 3.42Å; L1684-L1688 WeakPolarHBondContact O-CG 3.44Å; L1684-L1688 PolarHBondContact O-N 2.89Å; S1685-L1688 PolarHBondContact O-N 2.83Å; Y1686-L1688 PolarHBondContact O-N 2.85Å; L1688-M1706 HydrophobicContact CB-CE 3.83Å; L1688-M1706 HydrophobicContact CD1-CE 3.35Å; L1688-M1706 HydrophobicContact CG-CE 4.23Å |
| 1689 | R | 64.2 | Low | 58.8 | Low | 72 Ų | 72 | 56.8 Ų | 56.8 | 27% | 0.272 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -125.6 | -11.5 | -179.9 | -56.6 | -162.8 | -58 | -113.5 | 6.5 | 114.3 | S1685 Q1691 G1692 L1693 M1706 | S1685-R1689 WeakPolarHBondContact O-CB 3.31Å; S1685-R1689 PolarHBondContact O-N 2.83Å; S1685-R1689 VanDerWaalsContact OG-CZ 3.24Å; S1685-R1689 PolarHBondContact OG-NH2 2.92Å; R1689-Q1691 HydrophobicContact CB-CG 4.14Å; R1689-Q1691 PolarHBondContact O-N 3.18Å; R1689-Q1691 VanDerWaalsContact O-N 3.15Å; R1689-G1692 PolarHBondContact NH2-O 3.03Å; R1689-L1693 VanDerWaalsContact NH2-CD2 3.27Å; R1689-M1706 PolarHBondContact NH1-SD 2.96Å; R1689-M1706 VanDerWaalsContact NH1-SD 3.39Å |
| 1690 | G | 64.3 | Low | 57.7 | Low | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 74.9 | -8.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1646 T1651 E1652 Y1686 | R1646-G1690 VanDerWaalsContact NE-CA 3.33Å; R1646-G1690 VanDerWaalsContact NH2-CA 3.34Å; T1651-G1690 CarbonylContact C-O 3.49Å; T1651-G1690 WeakPolarHBondContact CA-O 3.2Å; T1651-G1690 WeakPolarHBondContact CG2-O 3.45Å; E1652-G1690 PolarHBondContact N-O 2.67Å; Y1686-G1690 WeakPolarHBondContact CD1-O 2.99Å; Y1686-G1690 WeakPolarHBondContact CE1-O 3.48Å; Y1686-G1690 WeakPolarHBondContact O-CA 3.45Å; Y1686-G1690 PolarHBondContact O-N 2.99Å |
| 1691 | Q | 62.9 | Low | 56.8 | Low | 98 Ų | 98 | 56.2 Ų | 56.2 | 46% | 0.458 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -136 | 160 | -178.2 | 64.6 | -170.4 | 8.3 | 0 | 0 | 109.7 | E1652 S1685 Y1686 R1689 | E1652-Q1691 HydrophobicContact CB-CB 4.41Å; E1652-Q1691 HydrophobicContact CG-CB 4.31Å; S1685-Q1691 CarbonylContact C-O 3.59Å; S1685-Q1691 PolarHBondContact OG-O 2.86Å; Y1686-Q1691 VanDerWaalsContact CE1-C 3.5Å; R1689-Q1691 HydrophobicContact CB-CG 4.14Å; R1689-Q1691 PolarHBondContact O-N 3.18Å; R1689-Q1691 VanDerWaalsContact O-N 3.15Å |
| 1692 | G | 59.2 | Low | 56.1 | Low | 15 Ų | 15 | 52 Ų | 52 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | trans | -72.2 | -171.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1685 Y1686 R1689 | S1685-G1692 VanDerWaalsContact OG-C 3.29Å; Y1686-G1692 VanDerWaalsContact CZ-CA 3.5Å; Y1686-G1692 WeakPolarHBondContact OH-CA 3.37Å; Y1686-G1692 PolarHBondContact OH-N 2.65Å; R1689-G1692 PolarHBondContact NH2-O 3.03Å | ||
| 1693 | L | 55.4 | Low | 55.2 | Low | 47 Ų | 47 | 56.7 Ų | 56.7 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | trans | -80.1 | 127.5 | 156 | -68.3 | 154 | 0 | 0 | 0 | 107 | R424 R1689 A1702 | R424-L1693 VanDerWaalsContact NH2-C 3.33Å; R424-L1693 PolarHBondContact NH2-O 2.81Å; R1689-L1693 VanDerWaalsContact NH2-CD2 3.27Å; L1693-A1702 HydrophobicContact CD2-CB 3.89Å | ||
| 1694 | E | 47 | Very low | 53.8 | Low | 145 Ų | 145 | 60.2 Ų | 60.2 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | trans | -65.5 | 154.7 | 165.1 | -67.5 | -171.4 | 150.9 | 0 | 0 | 109.7 | R424 Q1697 | R424-E1694 VanDerWaalsContact NH2-C 3.26Å; R424-E1694 PolarHBondContact NH2-O 3.34Å; E1694-Q1697 PolarHBondContact OE2-NE2 3.39Å | ||
| 1695 | S | 44 | Very low | 52.5 | Low | 57 Ų | 57 | 59.4 Ų | 59.4 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -76.4 | -27.9 | -165.8 | 54.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1696 | D | 41.2 | Very low | 51.5 | Low | 150 Ų | 150 | 61 Ų | 61 | 80% | 0.802 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -111.1 | 8.4 | -160.3 | -65 | 16.7 | 0 | 0 | 0 | 113.3 | ||
| 1697 | Q | 38.3 | Very low | 50.1 | Low | 85 Ų | 85 | 66 Ų | 66 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -104.3 | 140.5 | 175.5 | -59.4 | -171.5 | 30.3 | 0 | 0 | 110.8 | E1694 | E1694-Q1697 PolarHBondContact OE2-NE2 3.39Š|
| 1698 | S | 43.3 | Very low | 48.9 | Very low | 57 Ų | 57 | 69.1 Ų | 69.1 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | trans | -67.8 | 132.9 | 179.3 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | S1700 A1701 A1702 | S1698-S1700 PolarHBondContact O-N 3.02Å; S1698-S1700 VanDerWaalsContact O-N 3.11Å; S1698-A1701 WeakPolarHBondContact O-CA 3.48Å; S1698-A1701 WeakPolarHBondContact O-CB 3.49Å; S1698-A1701 PolarHBondContact O-N 2.82Å; S1698-A1702 PolarHBondContact O-N 2.79Å | ||
| 1699 | D | 45.9 | Very low | 48 | Very low | 95 Ų | 95 | 68.2 Ų | 68.2 | 51% | 0.508 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58 | -31.9 | -172.4 | -51.7 | -84.6 | 0 | 0 | 0 | 113.8 | A1701 A1702 M1703 | D1699-A1701 VanDerWaalsContact C-N 3.34Å; D1699-A1701 PolarHBondContact O-N 2.86Å; D1699-A1702 PolarHBondContact O-N 2.97Å; D1699-M1703 WeakPolarHBondContact O-CB 3.46Å; D1699-M1703 PolarHBondContact O-N 2.87Å |
| 1700 | S | 42.9 | Very low | 47 | Very low | 80 Ų | 80 | 68.2 Ų | 68.2 | 56% | 0.559 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.2 | -33.4 | 173.9 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | S1698 T1704 | S1698-S1700 PolarHBondContact O-N 3.02Å; S1698-S1700 VanDerWaalsContact O-N 3.11Å; S1700-T1704 VanDerWaalsContact O-CB 3.23Å; S1700-T1704 WeakPolarHBondContact O-CB 3.18Å; S1700-T1704 PolarHBondContact O-N 2.89Å; S1700-T1704 PolarHBondContact O-OG1 3Å |
| 1701 | A | 40.3 | Very low | 46.2 | Very low | 26 Ų | 26 | 70.3 Ų | 70.3 | 22% | 0.215 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -72.8 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | S1698 D1699 T1704 S1705 V1738 | S1698-A1701 WeakPolarHBondContact O-CA 3.48Å; S1698-A1701 WeakPolarHBondContact O-CB 3.49Å; S1698-A1701 PolarHBondContact O-N 2.82Å; D1699-A1701 VanDerWaalsContact C-N 3.34Å; D1699-A1701 PolarHBondContact O-N 2.86Å; A1701-T1704 PolarHBondContact O-N 2.97Å; A1701-S1705 PolarHBondContact O-N 2.94Å; A1701-S1705 PolarHBondContact O-OG 2.8Å; A1701-V1738 HydrophobicContact CB-CG1 4.32Å |
| 1702 | A | 45.6 | Very low | 45.5 | Very low | 13 Ų | 13 | 67.6 Ų | 67.6 | 11% | 0.107 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1693 S1698 D1699 S1705 M1706 | L1693-A1702 HydrophobicContact CD2-CB 3.89Å; S1698-A1702 PolarHBondContact O-N 2.79Å; D1699-A1702 PolarHBondContact O-N 2.97Å; A1702-S1705 PolarHBondContact O-OG 2.85Å; A1702-M1706 WeakPolarHBondContact O-CB 3.34Å; A1702-M1706 PolarHBondContact O-N 2.78Å |
| 1703 | M | 44.8 | Very low | 44.9 | Very low | 114 Ų | 114 | 68.8 Ų | 68.8 | 56% | 0.562 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.7 | -38.2 | 172.1 | -172.9 | 67.3 | 86.9 | 0 | 0 | 111.1 | D1699 M1706 L1707 | D1699-M1703 WeakPolarHBondContact O-CB 3.46Å; D1699-M1703 PolarHBondContact O-N 2.87Å; M1703-M1706 CarbonylContact O-C 3.57Å; M1703-M1706 PolarHBondContact O-N 3.01Å; M1703-L1707 HydrophobicContact CG-CD1 4.15Å; M1703-L1707 WeakPolarHBondContact O-CB 3.43Å; M1703-L1707 VanDerWaalsContact O-CG 3.32Å; M1703-L1707 WeakPolarHBondContact O-CG 3.46Å; M1703-L1707 PolarHBondContact O-N 3.24Å |
| 1704 | T | 41.8 | Very low | 44.4 | Very low | 77 Ų | 77 | 75.1 Ų | 75.1 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.3 | -44.3 | 177.6 | -60 | 0 | 0 | 0 | 0 | 111.7 | S1700 A1701 M1706 L1707 I1708 | S1700-T1704 VanDerWaalsContact O-CB 3.23Å; S1700-T1704 WeakPolarHBondContact O-CB 3.18Å; S1700-T1704 PolarHBondContact O-N 2.89Å; S1700-T1704 PolarHBondContact O-OG1 3Å; A1701-T1704 PolarHBondContact O-N 2.97Å; T1704-M1706 VanDerWaalsContact C-N 3.26Å; T1704-M1706 PolarHBondContact O-N 2.74Å; T1704-L1707 PolarHBondContact O-N 2.98Å; T1704-I1708 HydrophobicContact CG2-CD1 3.94Å; T1704-I1708 WeakPolarHBondContact O-CB 3.42Å; T1704-I1708 VanDerWaalsContact O-CG1 3.26Å; T1704-I1708 WeakPolarHBondContact O-CG1 3.12Å; T1704-I1708 PolarHBondContact O-N 3.19Å |
| 1705 | S | 43.9 | Very low | 44.3 | Very low | 47 Ų | 47 | 70.7 Ų | 70.7 | 33% | 0.329 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.3 | -27.6 | 173.5 | 64.3 | 0 | 0 | 0 | 0 | 112.3 | A1701 A1702 G1709 | A1701-S1705 PolarHBondContact O-N 2.94Å; A1701-S1705 PolarHBondContact O-OG 2.8Å; A1702-S1705 PolarHBondContact O-OG 2.85Å; S1705-G1709 WeakPolarHBondContact O-CA 3.48Å; S1705-G1709 PolarHBondContact O-N 2.83Å |
| 1706 | M | 43.4 | Very low | 44.4 | Very low | 37 Ų | 37 | 69.1 Ų | 69.1 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -76.5 | -31.8 | 173 | -171.3 | 162 | 172.1 | 0 | 0 | 113.1 | L1688 R1689 A1702 M1703 T1704 L1710 | L1688-M1706 HydrophobicContact CB-CE 3.83Å; L1688-M1706 HydrophobicContact CD1-CE 3.35Å; L1688-M1706 HydrophobicContact CG-CE 4.23Å; R1689-M1706 PolarHBondContact NH1-SD 2.96Å; R1689-M1706 VanDerWaalsContact NH1-SD 3.39Å; A1702-M1706 WeakPolarHBondContact O-CB 3.34Å; A1702-M1706 PolarHBondContact O-N 2.78Å; M1703-M1706 CarbonylContact O-C 3.57Å; M1703-M1706 PolarHBondContact O-N 3.01Å; T1704-M1706 VanDerWaalsContact C-N 3.26Å; T1704-M1706 PolarHBondContact O-N 2.74Å; M1706-L1710 WeakPolarHBondContact O-CB 3.06Å; M1706-L1710 VanDerWaalsContact O-CG 3.3Å; M1706-L1710 WeakPolarHBondContact O-CG 3.4Å; M1706-L1710 PolarHBondContact O-N 2.92Å |
| 1707 | L | 44.5 | Very low | 44.6 | Very low | 108 Ų | 108 | 68.8 Ų | 68.8 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -72.2 | -43.6 | 170.5 | -78 | 165.7 | 0 | 0 | 0 | 111.8 | M1703 T1704 G1709 L1710 G1711 | M1703-L1707 HydrophobicContact CG-CD1 4.15Å; M1703-L1707 WeakPolarHBondContact O-CB 3.43Å; M1703-L1707 VanDerWaalsContact O-CG 3.32Å; M1703-L1707 WeakPolarHBondContact O-CG 3.46Å; M1703-L1707 PolarHBondContact O-N 3.24Å; T1704-L1707 PolarHBondContact O-N 2.98Å; L1707-G1709 VanDerWaalsContact C-N 3.31Å; L1707-L1710 PolarHBondContact O-N 2.88Å; L1707-G1711 PolarHBondContact O-N 3.11Å |
| 1708 | I | 46.2 | Very low | 45.1 | Very low | 82 Ų | 82 | 69.7 Ų | 69.7 | 42% | 0.421 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 169.5 | -68.5 | 166.6 | 0 | 0 | 0 | 109.2 | T1704 L1710 G1711 V1712 T1735 | T1704-I1708 HydrophobicContact CG2-CD1 3.94Å; T1704-I1708 WeakPolarHBondContact O-CB 3.42Å; T1704-I1708 VanDerWaalsContact O-CG1 3.26Å; T1704-I1708 WeakPolarHBondContact O-CG1 3.12Å; T1704-I1708 PolarHBondContact O-N 3.19Å; I1708-L1710 VanDerWaalsContact C-N 3.35Å; I1708-L1710 PolarHBondContact O-N 2.76Å; I1708-G1711 CarbonylContact O-C 3.59Å; I1708-G1711 PolarHBondContact O-N 3.16Å; I1708-V1712 HydrophobicContact CG2-CG2 4.27Å; I1708-V1712 WeakPolarHBondContact O-CB 3.39Å; I1708-V1712 VanDerWaalsContact O-CG2 3.31Å; I1708-V1712 WeakPolarHBondContact O-CG2 3.38Å; I1708-V1712 PolarHBondContact O-N 3.41Å; I1708-T1735 HydrophobicContact CG2-CG2 4.13Å |
| 1709 | G | 48.8 | Very low | 45.6 | Very low | 24 Ų | 24 | 68.3 Ų | 68.3 | 25% | 0.247 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1705 L1707 A1713 | S1705-G1709 WeakPolarHBondContact O-CA 3.48Å; S1705-G1709 PolarHBondContact O-N 2.83Å; L1707-G1709 VanDerWaalsContact C-N 3.31Å; G1709-A1713 WeakPolarHBondContact O-CA 3.35Å; G1709-A1713 WeakPolarHBondContact O-CB 3.45Å; G1709-A1713 PolarHBondContact O-N 2.93Å |
| 1710 | L | 43 | Very low | 45.9 | Very low | 72 Ų | 72 | 65 Ų | 65 | 38% | 0.377 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 172.6 | -80 | 163.6 | 0 | 0 | 0 | 112.2 | Y1618 M1706 L1707 I1708 V1712 A1713 Q1714 | Y1618-L1710 HydrophobicContact CD1-CD2 4.49Å; M1706-L1710 WeakPolarHBondContact O-CB 3.06Å; M1706-L1710 VanDerWaalsContact O-CG 3.3Å; M1706-L1710 WeakPolarHBondContact O-CG 3.4Å; M1706-L1710 PolarHBondContact O-N 2.92Å; L1707-L1710 PolarHBondContact O-N 2.88Å; I1708-L1710 VanDerWaalsContact C-N 3.35Å; I1708-L1710 PolarHBondContact O-N 2.76Å; L1710-V1712 VanDerWaalsContact C-N 3.31Å; L1710-V1712 PolarHBondContact O-N 2.96Å; L1710-A1713 PolarHBondContact O-N 2.83Å; L1710-Q1714 PolarHBondContact O-N 3.19Å |
| 1711 | G | 47.7 | Very low | 46.3 | Very low | 48 Ų | 48 | 67.5 Ų | 67.5 | 50% | 0.495 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1707 I1708 | L1707-G1711 PolarHBondContact O-N 3.11Å; I1708-G1711 CarbonylContact O-C 3.59Å; I1708-G1711 PolarHBondContact O-N 3.16Å |
| 1712 | V | 48.9 | Very low | 46.9 | Very low | 40 Ų | 40 | 70.3 Ų | 70.3 | 24% | 0.242 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -76.6 | -37.8 | 173.6 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | I1708 L1710 Q1714 S1715 G1716 L1733 | I1708-V1712 HydrophobicContact CG2-CG2 4.27Å; I1708-V1712 WeakPolarHBondContact O-CB 3.39Å; I1708-V1712 VanDerWaalsContact O-CG2 3.31Å; I1708-V1712 WeakPolarHBondContact O-CG2 3.38Å; I1708-V1712 PolarHBondContact O-N 3.41Å; L1710-V1712 VanDerWaalsContact C-N 3.31Å; L1710-V1712 PolarHBondContact O-N 2.96Å; V1712-Q1714 VanDerWaalsContact C-N 3.27Å; V1712-Q1714 PolarHBondContact O-N 2.98Å; V1712-S1715 CarbonylContact O-C 3.57Å; V1712-S1715 WeakPolarHBondContact O-CA 3.43Å; V1712-S1715 WeakPolarHBondContact O-CB 3.05Å; V1712-S1715 PolarHBondContact O-N 2.79Å; V1712-S1715 PolarHBondContact O-OG 2.89Å; V1712-G1716 PolarHBondContact O-N 2.88Å; V1712-L1733 HydrophobicContact CG1-CB 4.12Å; V1712-L1733 HydrophobicContact CG1-CD2 3.87Å; V1712-L1733 HydrophobicContact CG1-CG 3.93Å; V1712-L1733 WeakPolarHBondContact CG1-O 3.29Å |
| 1713 | A | 46.2 | Very low | 47.5 | Very low | 40 Ų | 40 | 69.7 Ų | 69.7 | 33% | 0.331 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.5 | -25.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1709 L1710 S1715 G1716 | G1709-A1713 WeakPolarHBondContact O-CA 3.35Å; G1709-A1713 WeakPolarHBondContact O-CB 3.45Å; G1709-A1713 PolarHBondContact O-N 2.93Å; L1710-A1713 PolarHBondContact O-N 2.83Å; A1713-S1715 PolarHBondContact O-N 3.28Å; A1713-G1716 WeakPolarHBondContact O-CA 3.49Å; A1713-G1716 PolarHBondContact O-N 2.82Å |
| 1714 | Q | 44.6 | Very low | 48.1 | Very low | 180 Ų | 180 | 71.3 Ų | 71.3 | 84% | 0.841 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.9 | -26.1 | 166.3 | -73.8 | -169.5 | -5.4 | 0 | 0 | 112.9 | L1710 V1712 | L1710-Q1714 PolarHBondContact O-N 3.19Å; V1712-Q1714 VanDerWaalsContact C-N 3.27Å; V1712-Q1714 PolarHBondContact O-N 2.98Å |
| 1715 | S | 45.6 | Very low | 48.8 | Very low | 53 Ų | 53 | 73.1 Ų | 73.1 | 37% | 0.371 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -91.7 | -18.8 | 167.2 | 78.4 | 0 | 0 | 0 | 0 | 113.6 | V1712 A1713 Q1717 I1718 | V1712-S1715 CarbonylContact O-C 3.57Å; V1712-S1715 WeakPolarHBondContact O-CA 3.43Å; V1712-S1715 WeakPolarHBondContact O-CB 3.05Å; V1712-S1715 PolarHBondContact O-N 2.79Å; V1712-S1715 PolarHBondContact O-OG 2.89Å; A1713-S1715 PolarHBondContact O-N 3.28Å; S1715-Q1717 VanDerWaalsContact C-N 3.29Å; S1715-Q1717 PolarHBondContact O-N 3.49Å; S1715-I1718 WeakPolarHBondContact O-CB 3.19Å; S1715-I1718 PolarHBondContact O-N 2.86Å |
| 1716 | G | 44.6 | Very low | 49.8 | Very low | 23 Ų | 23 | 78.6 Ų | 78.6 | 24% | 0.237 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.1 | -26.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | V1712 A1713 I1718 V1719 G1720 | V1712-G1716 PolarHBondContact O-N 2.88Å; A1713-G1716 WeakPolarHBondContact O-CA 3.49Å; A1713-G1716 PolarHBondContact O-N 2.82Å; G1716-I1718 PolarHBondContact O-N 2.86Å; G1716-V1719 PolarHBondContact O-N 2.85Å; G1716-G1720 PolarHBondContact O-N 2.57Å |
| 1717 | Q | 46.4 | Very low | 50.8 | Low | 143 Ų | 143 | 79.6 Ų | 79.6 | 67% | 0.668 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.5 | -29.3 | 172.8 | -75.1 | -160.2 | 11.6 | 0 | 0 | 113.1 | S1715 K1721 | S1715-Q1717 VanDerWaalsContact C-N 3.29Å; S1715-Q1717 PolarHBondContact O-N 3.49Å; Q1717-K1721 WeakPolarHBondContact O-CG 3.32Å |
| 1718 | I | 48.7 | Very low | 52.2 | Low | 104 Ų | 104 | 75.6 Ų | 75.6 | 53% | 0.533 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -74.6 | -42.4 | 175.6 | -62.3 | 166.7 | 0 | 0 | 0 | 109.7 | S1715 G1716 I1722 | S1715-I1718 WeakPolarHBondContact O-CB 3.19Å; S1715-I1718 PolarHBondContact O-N 2.86Å; G1716-I1718 PolarHBondContact O-N 2.86Å; I1718-I1722 HydrophobicContact CG2-CD1 3.87Å; I1718-I1722 VanDerWaalsContact O-CG1 3.28Å; I1718-I1722 WeakPolarHBondContact O-CG1 3.42Å; I1718-I1722 PolarHBondContact O-N 3.22Å; I1718-I1722 VanDerWaalsContact O-N 3.09Å |
| 1719 | V | 53.6 | Low | 52.9 | Low | 29 Ų | 29 | 74.5 Ų | 74.5 | 18% | 0.176 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.7 | -47.6 | -179.7 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | G1716 K1721 I1722 G1723 L1731 L1733 | G1716-V1719 PolarHBondContact O-N 2.85Å; V1719-K1721 PolarHBondContact O-N 2.83Å; V1719-I1722 WeakPolarHBondContact O-CB 3.35Å; V1719-I1722 PolarHBondContact O-N 2.83Å; V1719-G1723 PolarHBondContact O-N 2.88Å; V1719-L1731 HydrophobicContact CG1-CD2 4.04Å; V1719-L1731 HydrophobicContact CG1-CG 3.92Å; V1719-L1733 HydrophobicContact CG2-CB 4.46Å |
| 1720 | G | 52.3 | Low | 53.6 | Low | 24 Ų | 24 | 78.9 Ų | 78.9 | 25% | 0.247 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1716 I1722 G1723 E1724 L1731 | G1716-G1720 PolarHBondContact O-N 2.57Å; G1720-I1722 VanDerWaalsContact C-N 3.35Å; G1720-I1722 PolarHBondContact O-N 3.08Å; G1720-G1723 WeakPolarHBondContact O-CA 3.35Å; G1720-G1723 PolarHBondContact O-N 3.26Å; G1720-G1723 VanDerWaalsContact O-N 3.07Å; G1720-E1724 PolarHBondContact O-N 2.82Å; G1720-L1731 WeakPolarHBondContact CA-O 3.42Å; G1720-L1731 PolarHBondContact N-O 3.29Å |
| 1721 | K | 50.7 | Low | 54.7 | Low | 134 Ų | 134 | 77.1 Ų | 77.1 | 58% | 0.583 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.8 | -36.1 | 177.3 | -74 | 176.7 | 178.6 | 172.7 | 0 | 113 | Q1717 V1719 G1723 T1725 | Q1717-K1721 WeakPolarHBondContact O-CG 3.32Å; V1719-K1721 PolarHBondContact O-N 2.83Å; K1721-G1723 VanDerWaalsContact C-N 3.34Å; K1721-T1725 WeakPolarHBondContact O-CB 3.35Å; K1721-T1725 PolarHBondContact O-N 2.83Å; K1721-T1725 VanDerWaalsContact O-N 3.15Å; K1721-T1725 PolarHBondContact O-OG1 2.98Å |
| 1722 | I | 53.9 | Low | 55.3 | Low | 84 Ų | 84 | 76.9 Ų | 76.9 | 43% | 0.431 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 171.5 | -71.2 | 166.1 | 0 | 0 | 0 | 109.8 | I1718 V1719 G1720 T1725 F1726 L1731 | I1718-I1722 HydrophobicContact CG2-CD1 3.87Å; I1718-I1722 VanDerWaalsContact O-CG1 3.28Å; I1718-I1722 WeakPolarHBondContact O-CG1 3.42Å; I1718-I1722 PolarHBondContact O-N 3.22Å; I1718-I1722 VanDerWaalsContact O-N 3.09Å; V1719-I1722 WeakPolarHBondContact O-CB 3.35Å; V1719-I1722 PolarHBondContact O-N 2.83Å; G1720-I1722 VanDerWaalsContact C-N 3.35Å; G1720-I1722 PolarHBondContact O-N 3.08Å; I1722-T1725 PolarHBondContact O-N 2.76Å; I1722-F1726 HydrophobicContact CG2-CD2 4Å; I1722-F1726 HydrophobicContact CG2-CE2 4.15Å; I1722-F1726 VanDerWaalsContact O-CD2 3.29Å; I1722-F1726 WeakPolarHBondContact O-CD2 3.31Å; I1722-F1726 PolarHBondContact O-N 2.86Å; I1722-L1731 HydrophobicContact CG2-CD2 4.38Å |
| 1723 | G | 57.5 | Low | 55.8 | Low | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.01 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -53.7 | -59 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1719 G1720 K1721 T1725 F1726 G1727 V1728 | V1719-G1723 PolarHBondContact O-N 2.88Å; G1720-G1723 WeakPolarHBondContact O-CA 3.35Å; G1720-G1723 PolarHBondContact O-N 3.26Å; G1720-G1723 VanDerWaalsContact O-N 3.07Å; K1721-G1723 VanDerWaalsContact C-N 3.34Å; G1723-T1725 VanDerWaalsContact C-N 3.26Å; G1723-T1725 PolarHBondContact O-N 2.78Å; G1723-F1726 CarbonylContact O-C 3.48Å; G1723-F1726 PolarHBondContact O-N 2.84Å; G1723-G1727 PolarHBondContact O-N 2.92Å; G1723-G1727 VanDerWaalsContact O-N 3.08Å; G1723-V1728 CarbonylContact C-O 3.52Å; G1723-V1728 VanDerWaalsContact CA-O 3.27Å; G1723-V1728 WeakPolarHBondContact CA-O 3.49Å; G1723-V1728 PolarHBondContact O-N 3.15Å |
| 1724 | E | 58.3 | Low | 56.4 | Low | 148 Ų | 148 | 80.1 Ų | 80.1 | 69% | 0.692 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -56.5 | -40 | -179.7 | -66.5 | -176.2 | 139.6 | 0 | 0 | 112.3 | G1720 F1726 G1727 V1728 | G1720-E1724 PolarHBondContact O-N 2.82Å; E1724-F1726 PolarHBondContact O-N 2.94Å; E1724-G1727 PolarHBondContact O-N 2.72Å; E1724-V1728 PolarHBondContact N-O 3.01Å |
| 1725 | T | 56.1 | Low | 56.9 | Low | 114 Ų | 114 | 73.5 Ų | 73.5 | 70% | 0.699 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.9 | -29.3 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 112.9 | K1721 I1722 G1723 | K1721-T1725 WeakPolarHBondContact O-CB 3.35Å; K1721-T1725 PolarHBondContact O-N 2.83Å; K1721-T1725 VanDerWaalsContact O-N 3.15Å; K1721-T1725 PolarHBondContact O-OG1 2.98Å; I1722-T1725 PolarHBondContact O-N 2.76Å; G1723-T1725 VanDerWaalsContact C-N 3.26Å; G1723-T1725 PolarHBondContact O-N 2.78Å |
| 1726 | F | 65.3 | Low | 57.3 | Low | 163 Ų | 163 | 75.8 Ų | 75.8 | 72% | 0.715 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 10.7 | 175 | -69.8 | -69.1 | 0 | 0 | 0 | 113.8 | I1722 G1723 E1724 | I1722-F1726 HydrophobicContact CG2-CD2 4Å; I1722-F1726 HydrophobicContact CG2-CE2 4.15Å; I1722-F1726 VanDerWaalsContact O-CD2 3.29Å; I1722-F1726 WeakPolarHBondContact O-CD2 3.31Å; I1722-F1726 PolarHBondContact O-N 2.86Å; G1723-F1726 CarbonylContact O-C 3.48Å; G1723-F1726 PolarHBondContact O-N 2.84Å; E1724-F1726 PolarHBondContact O-N 2.94Å |
| 1727 | G | 63.6 | Low | 57.3 | Low | 57 Ų | 57 | 76.6 Ų | 76.6 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 17.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | G1723 E1724 | G1723-G1727 PolarHBondContact O-N 2.92Å; G1723-G1727 VanDerWaalsContact O-N 3.08Å; E1724-G1727 PolarHBondContact O-N 2.72Å |
| 1728 | V | 73.2 | Confident | 57.3 | Low | 25 Ų | 25 | 73.1 Ų | 73.1 | 15% | 0.152 | 42% | 0.416 | C | S | . | . | trans | -104.8 | 104 | 179.2 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | G1723 E1724 L1731 Y1749 V1750 | G1723-V1728 CarbonylContact C-O 3.52Å; G1723-V1728 VanDerWaalsContact CA-O 3.27Å; G1723-V1728 WeakPolarHBondContact CA-O 3.49Å; G1723-V1728 PolarHBondContact O-N 3.15Å; E1724-V1728 PolarHBondContact N-O 3.01Å; V1728-L1731 HydrophobicContact CG1-CB 4.37Å; V1728-L1731 HydrophobicContact CG1-CD1 4.01Å; V1728-Y1749 CarbonylContact C-O 3.48Å; V1728-Y1749 WeakPolarHBondContact CA-O 3.16Å; V1728-V1750 HydrophobicContact CG1-CG2 4.27Å; V1728-V1750 HydrophobicContact CG2-CG2 4.17Å | ||
| 1729 | S | 62.7 | Low | 57.5 | Low | 58 Ų | 58 | 70.3 Ų | 70.3 | 41% | 0.406 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 148.5 | 178.5 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | L1731 Y1749 | S1729-L1731 VanDerWaalsContact C-N 3.28Å; S1729-L1731 PolarHBondContact O-N 3.44Å; S1729-Y1749 PolarHBondContact N-O 2.77Å; S1729-Y1749 PolarHBondContact O-N 2.88Å; S1729-Y1749 WeakPolarHBondContact OG-CB 3.22Å; S1729-Y1749 PolarHBondContact OG-O 3.13Å |
| 1730 | N | 62.6 | Low | 57.2 | Low | 117 Ų | 117 | 75.2 Ų | 75.2 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.9 | 42 | -176.5 | -58 | -1.3 | 0 | 0 | 0 | 113.7 | A1732 Y1749 | N1730-A1732 PolarHBondContact O-N 3.05Å; N1730-Y1749 HydrophobicContact CB-CD2 4.26Å |
| 1731 | L | 66.1 | Low | 57 | Low | 35 Ų | 35 | 77.4 Ų | 77.4 | 18% | 0.183 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 112.1 | 173.5 | -169.6 | 73.3 | 0 | 0 | 0 | 109.8 | V1719 G1720 I1722 V1728 S1729 V1746 S1747 | V1719-L1731 HydrophobicContact CG1-CD2 4.04Å; V1719-L1731 HydrophobicContact CG1-CG 3.92Å; G1720-L1731 WeakPolarHBondContact CA-O 3.42Å; G1720-L1731 PolarHBondContact N-O 3.29Å; I1722-L1731 HydrophobicContact CG2-CD2 4.38Å; V1728-L1731 HydrophobicContact CG1-CB 4.37Å; V1728-L1731 HydrophobicContact CG1-CD1 4.01Å; S1729-L1731 VanDerWaalsContact C-N 3.28Å; S1729-L1731 PolarHBondContact O-N 3.44Å; L1731-V1746 HydrophobicContact CD1-CG1 3.87Å; L1731-S1747 CarbonylContact C-O 3.55Å; L1731-S1747 WeakPolarHBondContact CA-O 3.21Å |
| 1732 | A | 60.5 | Low | 57 | Low | 43 Ų | 43 | 72.1 Ų | 72.1 | 36% | 0.355 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 150.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1730 V1746 S1747 | N1730-A1732 PolarHBondContact O-N 3.05Å; A1732-V1746 WeakPolarHBondContact O-CA 3.39Å; A1732-S1747 PolarHBondContact N-O 2.84Å; A1732-S1747 PolarHBondContact O-N 2.9Å |
| 1733 | L | 59.5 | Low | 57.2 | Low | 64 Ų | 64 | 69.4 Ų | 69.4 | 34% | 0.335 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.8 | 168.9 | 178.6 | 67.4 | 0 | 0 | 0 | 107.4 | V1712 V1719 V1744 V1746 | V1712-L1733 HydrophobicContact CG1-CB 4.12Å; V1712-L1733 HydrophobicContact CG1-CD2 3.87Å; V1712-L1733 HydrophobicContact CG1-CG 3.93Å; V1712-L1733 WeakPolarHBondContact CG1-O 3.29Å; V1719-L1733 HydrophobicContact CG2-CB 4.46Å; L1733-V1744 HydrophobicContact CD1-CG1 3.7Å; L1733-V1746 HydrophobicContact CD1-CG2 3.65Å |
| 1734 | D | 58.2 | Low | 57.5 | Low | 84 Ų | 84 | 72.4 Ų | 72.4 | 45% | 0.449 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 175.6 | -167.4 | -161.8 | 0.1 | 0 | 0 | 0 | 110.7 | V1745 | D1734-V1745 PolarHBondContact N-O 3.31Å; D1734-V1745 PolarHBondContact O-N 2.91Å |
| 1735 | T | 56.1 | Low | 58 | Low | 41 Ų | 41 | 65.6 Ų | 65.6 | 25% | 0.252 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.9 | 175.3 | 56.6 | 0 | 0 | 0 | 0 | 111 | I1708 Q1743 | I1708-T1735 HydrophobicContact CG2-CG2 4.13Å; T1735-Q1743 CarbonylContact C-O 3.6Å; T1735-Q1743 WeakPolarHBondContact CA-O 3.28Å |
| 1736 | Q | 53.4 | Low | 59 | Low | 101 Ų | 101 | 63 Ų | 63 | 47% | 0.472 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134.6 | -176.6 | -158.5 | -177 | -43.9 | 0 | 0 | 110.6 | Q1743 V1745 | Q1736-Q1743 PolarHBondContact N-O 2.88Å; Q1736-Q1743 PolarHBondContact O-N 2.92Å; Q1736-V1745 HydrophobicContact CB-CG2 3.66Å |
| 1737 | G | 45.1 | Very low | 59.5 | Low | 40 Ų | 40 | 56 Ų | 56 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | trans | 91.2 | 163.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1742 | G1737-S1742 WeakPolarHBondContact O-CA 3.33Å; G1737-S1742 PolarHBondContact O-OG 2.9Å | ||
| 1738 | V | 45.2 | Very low | 60.2 | Low | 70 Ų | 70 | 53.4 Ų | 53.4 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | trans | -134.4 | 146.5 | -168.7 | -132.7 | 0 | 0 | 0 | 0 | 111.6 | A1701 S1741 S1742 | A1701-V1738 HydrophobicContact CB-CG1 4.32Å; V1738-S1741 PolarHBondContact N-OG 2.83Å; V1738-S1741 PolarHBondContact O-N 2.79Å; V1738-S1741 PolarHBondContact O-OG 3.15Å; V1738-S1741 VanDerWaalsContact O-OG 3.12Å; V1738-S1742 VanDerWaalsContact CA-OG 3.23Å; V1738-S1742 WeakPolarHBondContact CA-OG 3.42Å; V1738-S1742 PolarHBondContact N-OG 3.11Å | ||
| 1739 | G | 53 | Low | 60.5 | Low | 44 Ų | 44 | 54.8 Ų | 54.8 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | 62.7 | -140.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S1741 S1742 F1763 | G1739-S1741 PolarHBondContact O-N 3.31Å; G1739-S1742 PolarHBondContact N-OG 2.71Å; G1739-S1742 WeakPolarHBondContact O-CB 3.5Å; G1739-S1742 PolarHBondContact O-N 2.86Å; G1739-S1742 PolarHBondContact O-OG 2.56Å; G1739-F1763 WeakPolarHBondContact O-CD2 3.26Å; G1739-F1763 WeakPolarHBondContact O-CE2 3.39Å |
| 1740 | D | 47.2 | Very low | 61.2 | Low | 133 Ų | 133 | 55.4 Ų | 55.4 | 71% | 0.711 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -60.2 | -18.1 | -179.5 | -57 | -28.5 | 0 | 0 | 0 | 113.3 | F1763 | D1740-F1763 HydrophobicContact CB-CB 4.45Š|
| 1741 | S | 49.2 | Very low | 61.7 | Low | 69 Ų | 69 | 54.8 Ų | 54.8 | 48% | 0.483 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -90 | 3.6 | 176.4 | 96 | 0 | 0 | 0 | 0 | 114.4 | V1738 G1739 Q1743 | V1738-S1741 PolarHBondContact N-OG 2.83Å; V1738-S1741 PolarHBondContact O-N 2.79Å; V1738-S1741 PolarHBondContact O-OG 3.15Å; V1738-S1741 VanDerWaalsContact O-OG 3.12Å; G1739-S1741 PolarHBondContact O-N 3.31Å; S1741-Q1743 WeakPolarHBondContact O-CG 3.49Å |
| 1742 | S | 51.1 | Low | 62 | Low | 24 Ų | 24 | 58.8 Ų | 58.8 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | trans | -66.1 | 132.6 | 177.6 | -72 | 0 | 0 | 0 | 0 | 111.6 | G1737 V1738 G1739 I1762 | G1737-S1742 WeakPolarHBondContact O-CA 3.33Å; G1737-S1742 PolarHBondContact O-OG 2.9Å; V1738-S1742 VanDerWaalsContact CA-OG 3.23Å; V1738-S1742 WeakPolarHBondContact CA-OG 3.42Å; V1738-S1742 PolarHBondContact N-OG 3.11Å; G1739-S1742 PolarHBondContact N-OG 2.71Å; G1739-S1742 WeakPolarHBondContact O-CB 3.5Å; G1739-S1742 PolarHBondContact O-N 2.86Å; G1739-S1742 PolarHBondContact O-OG 2.56Å; S1742-I1762 WeakPolarHBondContact O-CB 3.32Å; S1742-I1762 WeakPolarHBondContact O-CG1 3.31Å; S1742-I1762 PolarHBondContact O-N 2.63Å | ||
| 1743 | Q | 57.9 | Low | 62.5 | Low | 27 Ų | 27 | 57.8 Ų | 57.8 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145.8 | -179.1 | -46.5 | -158.1 | -51.9 | 0 | 0 | 110.7 | T1735 Q1736 S1741 V1745 V1760 T1768 | T1735-Q1743 CarbonylContact C-O 3.6Å; T1735-Q1743 WeakPolarHBondContact CA-O 3.28Å; Q1736-Q1743 PolarHBondContact N-O 2.88Å; Q1736-Q1743 PolarHBondContact O-N 2.92Å; S1741-Q1743 WeakPolarHBondContact O-CG 3.49Å; Q1743-V1745 HydrophobicContact CB-CG2 4.12Å; Q1743-V1760 CarbonylContact C-O 3.46Å; Q1743-V1760 WeakPolarHBondContact CA-O 3.31Å; Q1743-V1760 WeakPolarHBondContact CB-O 3.39Å; Q1743-T1768 PolarHBondContact OE1-OG1 3.1Å |
| 1744 | V | 62.8 | Low | 63.6 | Low | 64 Ų | 64 | 56.4 Ų | 56.4 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 128.3 | 163 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | L1733 G1759 V1760 I1762 | L1733-V1744 HydrophobicContact CD1-CG1 3.7Å; V1744-G1759 CarbonylContact O-C 3.59Å; V1744-G1759 WeakPolarHBondContact O-CA 3.39Å; V1744-V1760 PolarHBondContact N-O 2.78Å; V1744-V1760 PolarHBondContact O-N 3.01Å; V1744-I1762 HydrophobicContact CG2-CD1 3.97Å; V1744-I1762 HydrophobicContact CG2-CG1 4Å |
| 1745 | V | 69.9 | Low | 64.8 | Low | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 123.4 | -170.8 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | D1734 Q1736 Q1743 K1757 Y1758 | D1734-V1745 PolarHBondContact N-O 3.31Å; D1734-V1745 PolarHBondContact O-N 2.91Å; Q1736-V1745 HydrophobicContact CB-CG2 3.66Å; Q1743-V1745 HydrophobicContact CB-CG2 4.12Å; V1745-K1757 HydrophobicContact CG1-CB 3.93Å; V1745-K1757 HydrophobicContact CG1-CD 4.41Å; V1745-Y1758 WeakPolarHBondContact CA-O 3.37Å |
| 1746 | V | 76.2 | Confident | 65.9 | Low | 60 Ų | 60 | 53.4 Ų | 53.4 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.3 | 160.7 | 174 | 0 | 0 | 0 | 0 | 107.9 | L1731 A1732 L1733 K1757 Y1758 | L1731-V1746 HydrophobicContact CD1-CG1 3.87Å; A1732-V1746 WeakPolarHBondContact O-CA 3.39Å; L1733-V1746 HydrophobicContact CD1-CG2 3.65Å; V1746-K1757 CarbonylContact O-C 3.58Å; V1746-K1757 WeakPolarHBondContact O-CA 3.26Å; V1746-Y1758 PolarHBondContact N-O 2.97Å; V1746-Y1758 PolarHBondContact O-N 3.3Å |
| 1747 | S | 74.9 | Confident | 67.1 | Low | 14 Ų | 14 | 50.7 Ų | 50.7 | 10% | 0.098 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 150.6 | 174.2 | 72.2 | 0 | 0 | 0 | 0 | 113.1 | L1731 A1732 V1756 | L1731-S1747 CarbonylContact C-O 3.55Å; L1731-S1747 WeakPolarHBondContact CA-O 3.21Å; A1732-S1747 PolarHBondContact N-O 2.84Å; A1732-S1747 PolarHBondContact O-N 2.9Å; S1747-V1756 CarbonylContact C-O 3.04Å; S1747-V1756 VanDerWaalsContact CA-O 3.28Å; S1747-V1756 WeakPolarHBondContact CA-O 3.49Å |
| 1748 | G | 79 | Confident | 68.6 | Low | 3 Ų | 3 | 54.4 Ų | 54.4 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | 164.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1755 V1756 | G1748-Q1755 CarbonylContact O-C 3.51Å; G1748-Q1755 WeakPolarHBondContact O-CA 3.23Å; G1748-V1756 PolarHBondContact N-O 2.87Å; G1748-V1756 PolarHBondContact O-N 3.09Å |
| 1749 | Y | 78.7 | Confident | 69.9 | Low | 55 Ų | 55 | 51.1 Ų | 51.1 | 22% | 0.216 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.2 | -176.9 | -72 | -96.3 | 0 | 0 | 0 | 111.4 | V1728 S1729 N1730 L1754 Q1755 | V1728-Y1749 CarbonylContact C-O 3.48Å; V1728-Y1749 WeakPolarHBondContact CA-O 3.16Å; S1729-Y1749 PolarHBondContact N-O 2.77Å; S1729-Y1749 PolarHBondContact O-N 2.88Å; S1729-Y1749 WeakPolarHBondContact OG-CB 3.22Å; S1729-Y1749 PolarHBondContact OG-O 3.13Å; N1730-Y1749 HydrophobicContact CB-CD2 4.26Å; Y1749-L1754 CarbonylContact C-O 3.53Å; Y1749-L1754 VanDerWaalsContact CA-O 3.32Å; Y1749-L1754 WeakPolarHBondContact CA-O 3.46Å; Y1749-Q1755 HydrophobicContact CD1-CB 3.9Å; Y1749-Q1755 HydrophobicContact CD1-CG 4.39Å; Y1749-Q1755 HydrophobicContact CD2-CG 4.19Å; Y1749-Q1755 HydrophobicContact CE1-CB 3.64Å; Y1749-Q1755 HydrophobicContact CE1-CG 4.14Å; Y1749-Q1755 HydrophobicContact CE2-CB 4.35Å; Y1749-Q1755 HydrophobicContact CE2-CG 3.92Å; Y1749-Q1755 HydrophobicContact CG-CB 4.37Å; Y1749-Q1755 HydrophobicContact CG-CG 4.42Å |
| 1750 | V | 78.9 | Confident | 70.4 | Confident | 71 Ų | 71 | 51.7 Ų | 51.7 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -23 | -176.5 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | V1728 L1754 V1756 | V1728-V1750 HydrophobicContact CG1-CG2 4.27Å; V1728-V1750 HydrophobicContact CG2-CG2 4.17Å; V1750-L1754 PolarHBondContact N-O 3.24Å; V1750-V1756 HydrophobicContact CB-CG2 4.5Å; V1750-V1756 HydrophobicContact CG2-CB 4.27Å; V1750-V1756 HydrophobicContact CG2-CG2 3.62Å |
| 1751 | L | 73.7 | Confident | 71.1 | Confident | 104 Ų | 104 | 46 Ų | 46 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 161.5 | 166.2 | -71.8 | 170.4 | 0 | 0 | 0 | 108.5 | G1753 L1754 | L1751-G1753 PolarHBondContact O-N 3.34Å; L1751-G1753 VanDerWaalsContact O-N 3.15Å; L1751-L1754 HydrophobicContact CB-CB 3.91Å; L1751-L1754 HydrophobicContact CB-CD2 4.36Å; L1751-L1754 HydrophobicContact CD1-CD2 4.15Å; L1751-L1754 HydrophobicContact CG-CD2 4.5Å; L1751-L1754 PolarHBondContact O-N 2.88Å |
| 1752 | P | 71.5 | Confident | 71.5 | Confident | 118 Ų | 118 | 47 Ų | 47 | 77% | 0.766 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 122.7 | 169.6 | -27.7 | 36.1 | 0 | 0 | 0 | 111.2 | L1754 | P1752-L1754 PolarHBondContact O-N 3.49Š|
| 1753 | G | 71.8 | Confident | 71.8 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | -17.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1751 R1772 Y1773 R1774 | L1751-G1753 PolarHBondContact O-N 3.34Å; L1751-G1753 VanDerWaalsContact O-N 3.15Å; G1753-R1772 VanDerWaalsContact O-O 3.13Å; G1753-Y1773 CarbonylContact O-C 3.32Å; G1753-Y1773 WeakPolarHBondContact O-CA 3.38Å; G1753-R1774 PolarHBondContact O-N 3Å |
| 1754 | L | 81.2 | Confident | 71.4 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 18% | 0.183 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 95.1 | -179.5 | -174 | 66.5 | 0 | 0 | 0 | 111.8 | Y1749 V1750 L1751 P1752 L1771 Y1773 | Y1749-L1754 CarbonylContact C-O 3.53Å; Y1749-L1754 VanDerWaalsContact CA-O 3.32Å; Y1749-L1754 WeakPolarHBondContact CA-O 3.46Å; V1750-L1754 PolarHBondContact N-O 3.24Å; L1751-L1754 HydrophobicContact CB-CB 3.91Å; L1751-L1754 HydrophobicContact CB-CD2 4.36Å; L1751-L1754 HydrophobicContact CD1-CD2 4.15Å; L1751-L1754 HydrophobicContact CG-CD2 4.5Å; L1751-L1754 PolarHBondContact O-N 2.88Å; P1752-L1754 PolarHBondContact O-N 3.49Å; L1754-L1771 HydrophobicContact CD1-CD2 4.16Å; L1754-L1771 HydrophobicContact CD1-CG 4.24Å; L1754-Y1773 HydrophobicContact CB-CD2 3.79Å; L1754-Y1773 HydrophobicContact CB-CE2 4.35Å; L1754-Y1773 HydrophobicContact CD1-CD2 4.02Å; L1754-Y1773 HydrophobicContact CD1-CG 4.22Å |
| 1755 | Q | 83.7 | Confident | 70.9 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 9% | 0.093 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 141.3 | 170.2 | -158 | 179.2 | 26.5 | 0 | 0 | 110.7 | G1748 Y1749 K1757 R1772 | G1748-Q1755 CarbonylContact O-C 3.51Å; G1748-Q1755 WeakPolarHBondContact O-CA 3.23Å; Y1749-Q1755 HydrophobicContact CD1-CB 3.9Å; Y1749-Q1755 HydrophobicContact CD1-CG 4.39Å; Y1749-Q1755 HydrophobicContact CD2-CG 4.19Å; Y1749-Q1755 HydrophobicContact CE1-CB 3.64Å; Y1749-Q1755 HydrophobicContact CE1-CG 4.14Å; Y1749-Q1755 HydrophobicContact CE2-CB 4.35Å; Y1749-Q1755 HydrophobicContact CE2-CG 3.92Å; Y1749-Q1755 HydrophobicContact CG-CB 4.37Å; Y1749-Q1755 HydrophobicContact CG-CG 4.42Å; Q1755-K1757 HydrophobicContact CG-CG 4.4Å; Q1755-R1772 HydrophobicContact CB-CB 4.29Å; Q1755-R1772 PolarHBondContact N-O 3.36Å; Q1755-R1772 PolarHBondContact O-N 3.36Å |
| 1756 | V | 80.3 | Confident | 70.2 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 26% | 0.255 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.7 | 164.3 | -177 | 0 | 0 | 0 | 0 | 107.5 | S1747 G1748 V1750 L1769 L1771 | S1747-V1756 CarbonylContact C-O 3.04Å; S1747-V1756 VanDerWaalsContact CA-O 3.28Å; S1747-V1756 WeakPolarHBondContact CA-O 3.49Å; G1748-V1756 PolarHBondContact N-O 2.87Å; G1748-V1756 PolarHBondContact O-N 3.09Å; V1750-V1756 HydrophobicContact CB-CG2 4.5Å; V1750-V1756 HydrophobicContact CG2-CB 4.27Å; V1750-V1756 HydrophobicContact CG2-CG2 3.62Å; V1756-L1769 HydrophobicContact CG1-CD1 4.34Å; V1756-L1771 HydrophobicContact CB-CD1 4.42Å; V1756-L1771 HydrophobicContact CG1-CD1 4.18Å; V1756-L1771 HydrophobicContact CG2-CD1 3.67Å; V1756-L1771 HydrophobicContact CG2-CG 4.39Å |
| 1757 | K | 77.3 | Confident | 69.3 | Low | 44 Ų | 44 | 57.4 Ų | 57.4 | 19% | 0.191 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 140.4 | 170.4 | -46 | -171.8 | 160.4 | -170.9 | 0 | 110.1 | V1745 V1746 Q1755 T1770 | V1745-K1757 HydrophobicContact CG1-CB 3.93Å; V1745-K1757 HydrophobicContact CG1-CD 4.41Å; V1746-K1757 CarbonylContact O-C 3.58Å; V1746-K1757 WeakPolarHBondContact O-CA 3.26Å; Q1755-K1757 HydrophobicContact CG-CG 4.4Å; K1757-T1770 PolarHBondContact N-O 2.84Å; K1757-T1770 PolarHBondContact O-N 2.94Å |
| 1758 | Y | 77 | Confident | 68.8 | Low | 118 Ų | 118 | 57.8 Ų | 57.8 | 46% | 0.463 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 109.1 | 169.1 | 179.4 | -104.7 | 0 | 0 | 0 | 108.7 | V1745 V1746 V1760 A1767 T1768 L1769 | V1745-Y1758 WeakPolarHBondContact CA-O 3.37Å; V1746-Y1758 PolarHBondContact N-O 2.97Å; V1746-Y1758 PolarHBondContact O-N 3.3Å; Y1758-V1760 HydrophobicContact CD1-CG2 4.42Å; Y1758-V1760 HydrophobicContact CE1-CG2 3.65Å; Y1758-A1767 HydrophobicContact CE2-CB 3.89Å; Y1758-T1768 WeakPolarHBondContact CA-O 3.43Å; Y1758-L1769 HydrophobicContact CD2-CD1 4.13Å |
| 1759 | G | 73 | Confident | 68.5 | Low | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 149.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | V1744 A1767 T1768 | V1744-G1759 CarbonylContact O-C 3.59Å; V1744-G1759 WeakPolarHBondContact O-CA 3.39Å; G1759-A1767 CarbonylContact O-C 3.57Å; G1759-A1767 VanDerWaalsContact O-CA 3.26Å; G1759-A1767 WeakPolarHBondContact O-CA 3.45Å; G1759-T1768 WeakPolarHBondContact CA-OG1 3.37Å; G1759-T1768 PolarHBondContact N-O 2.84Å; G1759-T1768 PolarHBondContact O-N 2.94Å; G1759-T1768 PolarHBondContact O-OG1 2.76Å |
| 1760 | V | 62.8 | Low | 68.2 | Low | 56 Ų | 56 | 60.1 Ų | 60.1 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.2 | 166.7 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | Q1743 V1744 Y1758 A1767 | Q1743-V1760 CarbonylContact C-O 3.46Å; Q1743-V1760 WeakPolarHBondContact CA-O 3.31Å; Q1743-V1760 WeakPolarHBondContact CB-O 3.39Å; V1744-V1760 PolarHBondContact N-O 2.78Å; V1744-V1760 PolarHBondContact O-N 3.01Å; Y1758-V1760 HydrophobicContact CD1-CG2 4.42Å; Y1758-V1760 HydrophobicContact CE1-CG2 3.65Å; V1760-A1767 HydrophobicContact CG2-CB 4.21Å |
| 1761 | G | 62 | Low | 67.8 | Low | 14 Ų | 14 | 60.6 Ų | 60.6 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 145 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1764 I1766 | G1761-D1764 CarbonylContact C-O 3.33Å; G1761-D1764 WeakPolarHBondContact CA-O 3.19Å; G1761-D1764 VanDerWaalsContact O-O 3.13Å; G1761-I1766 PolarHBondContact N-O 3.17Å |
| 1762 | I | 58.8 | Low | 67.9 | Low | 90 Ų | 90 | 58.2 Ų | 58.2 | 46% | 0.462 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -84.6 | -32.5 | 172.8 | -60.8 | 178 | 0 | 0 | 0 | 109.8 | S1742 V1744 | S1742-I1762 WeakPolarHBondContact O-CB 3.32Å; S1742-I1762 WeakPolarHBondContact O-CG1 3.31Å; S1742-I1762 PolarHBondContact O-N 2.63Å; V1744-I1762 HydrophobicContact CG2-CD1 3.97Å; V1744-I1762 HydrophobicContact CG2-CG1 4Å |
| 1763 | F | 56.2 | Low | 68.4 | Low | 137 Ų | 137 | 57.7 Ų | 57.7 | 60% | 0.601 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -117 | -30 | -178.3 | -53.1 | -76.6 | 0 | 0 | 0 | 113.3 | G1739 D1740 | G1739-F1763 WeakPolarHBondContact O-CD2 3.26Å; G1739-F1763 WeakPolarHBondContact O-CE2 3.39Å; D1740-F1763 HydrophobicContact CB-CB 4.45Å |
| 1764 | D | 50.4 | Low | 68.5 | Low | 42 Ų | 42 | 60.6 Ų | 60.6 | 23% | 0.225 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -92.7 | 151.4 | 161.3 | 86.2 | 27 | 0 | 0 | 0 | 111.2 | G1761 I1766 N1846 | G1761-D1764 CarbonylContact C-O 3.33Å; G1761-D1764 WeakPolarHBondContact CA-O 3.19Å; G1761-D1764 VanDerWaalsContact O-O 3.13Å; D1764-I1766 VanDerWaalsContact C-N 3.29Å; D1764-I1766 HydrophobicContact CB-CG1 4.45Å; D1764-I1766 PolarHBondContact O-N 3.13Å; D1764-I1766 VanDerWaalsContact OD1-CB 3.31Å; D1764-I1766 WeakPolarHBondContact OD1-CB 3.45Å; D1764-I1766 PolarHBondContact OD1-N 2.58Å; D1764-N1846 PolarHBondContact OD2-ND2 2.88Å |
| 1765 | S | 51.7 | Low | 68.1 | Low | 122 Ų | 122 | 62.9 Ų | 62.9 | 85% | 0.853 | 32% | 0.323 | S | S | * | . | trans | -96.6 | 36.7 | 177.7 | 73.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1766 | I | 55.2 | Low | 67 | Low | 53 Ų | 53 | 67.6 Ų | 67.6 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | trans | -106.6 | 121.5 | -175.2 | -57.4 | 175.3 | 0 | 0 | 0 | 109 | G1761 D1764 M1787 | G1761-I1766 PolarHBondContact N-O 3.17Å; D1764-I1766 VanDerWaalsContact C-N 3.29Å; D1764-I1766 HydrophobicContact CB-CG1 4.45Å; D1764-I1766 PolarHBondContact O-N 3.13Å; D1764-I1766 VanDerWaalsContact OD1-CB 3.31Å; D1764-I1766 WeakPolarHBondContact OD1-CB 3.45Å; D1764-I1766 PolarHBondContact OD1-N 2.58Å; I1766-M1787 HydrophobicContact CD1-SD 4.44Å | ||
| 1767 | A | 56.4 | Low | 65.8 | Low | 44 Ų | 44 | 70.4 Ų | 70.4 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 124.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y1758 G1759 V1760 | Y1758-A1767 HydrophobicContact CE2-CB 3.89Å; G1759-A1767 CarbonylContact O-C 3.57Å; G1759-A1767 VanDerWaalsContact O-CA 3.26Å; G1759-A1767 WeakPolarHBondContact O-CA 3.45Å; V1760-A1767 HydrophobicContact CG2-CB 4.21Å |
| 1768 | T | 64.5 | Low | 64.8 | Low | 22 Ų | 22 | 75.5 Ų | 75.5 | 14% | 0.135 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120.8 | -179.5 | 46.3 | 0 | 0 | 0 | 0 | 109.9 | Q1743 Y1758 G1759 | Q1743-T1768 PolarHBondContact OE1-OG1 3.1Å; Y1758-T1768 WeakPolarHBondContact CA-O 3.43Å; G1759-T1768 WeakPolarHBondContact CA-OG1 3.37Å; G1759-T1768 PolarHBondContact N-O 2.84Å; G1759-T1768 PolarHBondContact O-N 2.94Å; G1759-T1768 PolarHBondContact O-OG1 2.76Å |
| 1769 | L | 72.6 | Confident | 63.8 | Low | 90 Ų | 90 | 74.3 Ų | 74.3 | 47% | 0.471 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.4 | 170.5 | -173.2 | 72.8 | 0 | 0 | 0 | 108.9 | V1756 Y1758 V1784 S1785 | V1756-L1769 HydrophobicContact CG1-CD1 4.34Å; Y1758-L1769 HydrophobicContact CD2-CD1 4.13Å; L1769-V1784 WeakPolarHBondContact O-CA 3.34Å; L1769-S1785 PolarHBondContact N-OG 3.01Å; L1769-S1785 VanDerWaalsContact N-OG 3.09Å; L1769-S1785 PolarHBondContact O-N 3.06Å |
| 1770 | T | 72.5 | Confident | 63.5 | Low | 17 Ų | 17 | 79.5 Ų | 79.5 | 10% | 0.104 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120 | -178.9 | -61.1 | 0 | 0 | 0 | 0 | 110.4 | K1757 E1782 A1783 V1784 | K1757-T1770 PolarHBondContact N-O 2.84Å; K1757-T1770 PolarHBondContact O-N 2.94Å; T1770-E1782 HydrophobicContact CG2-CG 3.55Å; T1770-A1783 WeakPolarHBondContact CA-O 3.43Å; T1770-V1784 HydrophobicContact CG2-CG2 4.03Å |
| 1771 | L | 71.9 | Confident | 63.6 | Low | 81 Ų | 81 | 82.2 Ų | 82.2 | 42% | 0.424 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114 | 170.8 | -135.4 | 87 | 0 | 0 | 0 | 108.6 | L1754 V1756 E1782 A1783 | L1754-L1771 HydrophobicContact CD1-CD2 4.16Å; L1754-L1771 HydrophobicContact CD1-CG 4.24Å; V1756-L1771 HydrophobicContact CB-CD1 4.42Å; V1756-L1771 HydrophobicContact CG1-CD1 4.18Å; V1756-L1771 HydrophobicContact CG2-CD1 3.67Å; V1756-L1771 HydrophobicContact CG2-CG 4.39Å; L1771-E1782 CarbonylContact O-C 3.55Å; L1771-E1782 WeakPolarHBondContact O-CA 3.35Å; L1771-A1783 HydrophobicContact CB-CB 4.22Å; L1771-A1783 PolarHBondContact N-O 3.14Å; L1771-A1783 PolarHBondContact O-N 3.38Å |
| 1772 | R | 75.7 | Confident | 63.8 | Low | 54 Ų | 54 | 85.8 Ų | 85.8 | 20% | 0.204 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 108 | -176.1 | -170.1 | -175.6 | -160.7 | -151.2 | 2.8 | 110.7 | G1753 Q1755 Y1780 L1781 E1782 | G1753-R1772 VanDerWaalsContact O-O 3.13Å; Q1755-R1772 HydrophobicContact CB-CB 4.29Å; Q1755-R1772 PolarHBondContact N-O 3.36Å; Q1755-R1772 PolarHBondContact O-N 3.36Å; R1772-Y1780 HydrophobicContact CG-CD2 3.79Å; R1772-Y1780 HydrophobicContact CG-CG 4.35Å; R1772-Y1780 VanDerWaalsContact NE-CD2 3.31Å; R1772-Y1780 VanDerWaalsContact NH2-CE1 3.29Å; R1772-Y1780 VanDerWaalsContact NH2-CZ 3.31Å; R1772-L1781 CarbonylContact C-O 3.58Å; R1772-L1781 WeakPolarHBondContact CA-O 3.48Å; R1772-E1782 HydrophobicContact CB-CG 4.12Å; R1772-E1782 WeakPolarHBondContact CD-OE2 3.3Å; R1772-E1782 HydrophobicContact CG-CB 4.47Å; R1772-E1782 HydrophobicContact CG-CG 4.2Å; R1772-E1782 WeakPolarHBondContact CG-OE2 3.27Å; R1772-E1782 IonicContact NE-OE2 3.35Å; R1772-E1782 PolarHBondContact NE-OE2 3.11Å |
| 1773 | Y | 81.7 | Confident | 64.1 | Low | 107 Ų | 107 | 84.5 Ų | 84.5 | 42% | 0.42 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 105.6 | 177.4 | -171.3 | -131.8 | 0 | 0 | 0 | 111.3 | G1753 L1754 L1775 Y1780 L1781 | G1753-Y1773 CarbonylContact O-C 3.32Å; G1753-Y1773 WeakPolarHBondContact O-CA 3.38Å; L1754-Y1773 HydrophobicContact CB-CD2 3.79Å; L1754-Y1773 HydrophobicContact CB-CE2 4.35Å; L1754-Y1773 HydrophobicContact CD1-CD2 4.02Å; L1754-Y1773 HydrophobicContact CD1-CG 4.22Å; Y1773-L1775 HydrophobicContact CD1-CD2 3.68Å; Y1773-L1775 HydrophobicContact CD1-CG 4.26Å; Y1773-L1775 HydrophobicContact CE1-CD2 3.47Å; Y1773-L1775 VanDerWaalsContact CE1-CD2 3.47Å; Y1773-L1775 HydrophobicContact CE1-CG 4.47Å; Y1773-L1775 PolarHBondContact O-N 3.06Å; Y1773-Y1780 CarbonylContact O-C 3.52Å; Y1773-Y1780 VanDerWaalsContact O-CA 3.24Å; Y1773-Y1780 WeakPolarHBondContact O-CA 3.17Å; Y1773-L1781 PolarHBondContact N-O 3.22Å; Y1773-L1781 PolarHBondContact O-N 3.24Å |
| 1774 | R | 72.8 | Confident | 64.3 | Low | 83 Ų | 83 | 81.3 Ų | 81.3 | 31% | 0.313 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 101.5 | 178.2 | -160.7 | 173.9 | -158.8 | 150.1 | 7 | 109.6 | E1652 G1753 M1776 P1777 | E1652-R1774 IonicContact OE1-CZ 3.59Å; E1652-R1774 VanDerWaalsContact OE1-CZ 3.22Å; E1652-R1774 IonicContact OE1-NH1 3.85Å; E1652-R1774 PolarHBondContact OE1-NH1 3.19Å; E1652-R1774 IonicContact OE1-NH2 2.86Å; E1652-R1774 PolarHBondContact OE1-NH2 3.1Å; G1753-R1774 PolarHBondContact O-N 3Å; R1774-M1776 WeakPolarHBondContact CG-O 3.4Å; R1774-P1777 PolarHBondContact NE-O 2.81Å; R1774-P1777 VanDerWaalsContact NE-O 3.11Å; R1774-P1777 PolarHBondContact NH2-O 2.9Å |
| 1775 | L | 73.5 | Confident | 64.8 | Low | 84 Ų | 84 | 82.2 Ų | 82.2 | 44% | 0.44 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -37.1 | 177.6 | -68.3 | 170.2 | 0 | 0 | 0 | 111.9 | Y1773 L1779 L1781 | Y1773-L1775 HydrophobicContact CD1-CD2 3.68Å; Y1773-L1775 HydrophobicContact CD1-CG 4.26Å; Y1773-L1775 HydrophobicContact CE1-CD2 3.47Å; Y1773-L1775 VanDerWaalsContact CE1-CD2 3.47Å; Y1773-L1775 HydrophobicContact CE1-CG 4.47Å; Y1773-L1775 PolarHBondContact O-N 3.06Å; L1775-L1779 HydrophobicContact CB-CD2 4.23Å; L1775-L1779 HydrophobicContact CB-CG 4.26Å; L1775-L1779 HydrophobicContact CD1-CD2 4.16Å; L1775-L1779 HydrophobicContact CD1-CG 4.28Å; L1775-L1779 PolarHBondContact N-O 2.8Å; L1775-L1781 HydrophobicContact CD1-CD1 3.92Å; L1775-L1781 HydrophobicContact CD1-CG 3.9Å |
| 1776 | M | 59.9 | Low | 65.1 | Low | 118 Ų | 118 | 78.6 Ų | 78.6 | 58% | 0.581 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 165.7 | 177.3 | -45.5 | -175.4 | 87.4 | 0 | 0 | 109 | R1774 K1778 L1779 | R1774-M1776 WeakPolarHBondContact CG-O 3.4Å; M1776-K1778 PolarHBondContact O-N 2.7Å; M1776-L1779 HydrophobicContact CB-CB 3.99Å; M1776-L1779 HydrophobicContact CG-CB 4.22Å; M1776-L1779 HydrophobicContact CG-CD2 4.29Å; M1776-L1779 PolarHBondContact N-O 3.04Å; M1776-L1779 PolarHBondContact O-N 3.17Å; M1776-L1779 HydrophobicContact SD-CD2 4.27Å |
| 1777 | P | 56.2 | Low | 66.1 | Low | 102 Ų | 102 | 77.4 Ų | 77.4 | 66% | 0.662 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -33 | -174.5 | -31.9 | 37.6 | 0 | 0 | 0 | 115.9 | R1774 | R1774-P1777 PolarHBondContact NE-O 2.81Å; R1774-P1777 VanDerWaalsContact NE-O 3.11Å; R1774-P1777 PolarHBondContact NH2-O 2.9Å |
| 1778 | K | 56.4 | Low | 67.5 | Low | 151 Ų | 151 | 79.5 Ų | 79.5 | 66% | 0.657 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | 14.5 | 174.9 | -60.7 | -169.8 | 177.6 | -173.2 | 0 | 114.5 | M1776 | M1776-K1778 PolarHBondContact O-N 2.7Š|
| 1779 | L | 56.3 | Low | 68.9 | Low | 92 Ų | 92 | 78.4 Ų | 78.4 | 48% | 0.482 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.5 | 176.5 | -179 | 66.8 | 0 | 0 | 0 | 110.2 | L1775 M1776 | L1775-L1779 HydrophobicContact CB-CD2 4.23Å; L1775-L1779 HydrophobicContact CB-CG 4.26Å; L1775-L1779 HydrophobicContact CD1-CD2 4.16Å; L1775-L1779 HydrophobicContact CD1-CG 4.28Å; L1775-L1779 PolarHBondContact N-O 2.8Å; M1776-L1779 HydrophobicContact CB-CB 3.99Å; M1776-L1779 HydrophobicContact CG-CB 4.22Å; M1776-L1779 HydrophobicContact CG-CD2 4.29Å; M1776-L1779 PolarHBondContact N-O 3.04Å; M1776-L1779 PolarHBondContact O-N 3.17Å; M1776-L1779 HydrophobicContact SD-CD2 4.27Å |
| 1780 | Y | 65.6 | Low | 69.9 | Low | 111 Ų | 111 | 74.2 Ų | 74.2 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 145.4 | 178.3 | 60.6 | -83.2 | 0 | 0 | 0 | 110.8 | R1772 Y1773 E1782 | R1772-Y1780 HydrophobicContact CG-CD2 3.79Å; R1772-Y1780 HydrophobicContact CG-CG 4.35Å; R1772-Y1780 VanDerWaalsContact NE-CD2 3.31Å; R1772-Y1780 VanDerWaalsContact NH2-CE1 3.29Å; R1772-Y1780 VanDerWaalsContact NH2-CZ 3.31Å; Y1773-Y1780 CarbonylContact O-C 3.52Å; Y1773-Y1780 VanDerWaalsContact O-CA 3.24Å; Y1773-Y1780 WeakPolarHBondContact O-CA 3.17Å; Y1780-E1782 HydrophobicContact CD2-CB 3.96Å; Y1780-E1782 HydrophobicContact CE2-CB 4Å |
| 1781 | L | 65.5 | Low | 70.9 | Confident | 112 Ų | 112 | 73.5 Ų | 73.5 | 59% | 0.586 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 124.5 | 165 | -74.2 | 168 | 0 | 0 | 0 | 107.7 | R1772 Y1773 L1775 | R1772-L1781 CarbonylContact C-O 3.58Å; R1772-L1781 WeakPolarHBondContact CA-O 3.48Å; Y1773-L1781 PolarHBondContact N-O 3.22Å; Y1773-L1781 PolarHBondContact O-N 3.24Å; L1775-L1781 HydrophobicContact CD1-CD1 3.92Å; L1775-L1781 HydrophobicContact CD1-CG 3.9Å |
| 1782 | E | 67.1 | Low | 71.8 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.2 | 174.7 | -159.2 | 164.8 | 109.4 | 0 | 0 | 111 | T1770 L1771 R1772 Y1780 V1784 | T1770-E1782 HydrophobicContact CG2-CG 3.55Å; L1771-E1782 CarbonylContact O-C 3.55Å; L1771-E1782 WeakPolarHBondContact O-CA 3.35Å; R1772-E1782 HydrophobicContact CB-CG 4.12Å; R1772-E1782 WeakPolarHBondContact CD-OE2 3.3Å; R1772-E1782 HydrophobicContact CG-CB 4.47Å; R1772-E1782 HydrophobicContact CG-CG 4.2Å; R1772-E1782 WeakPolarHBondContact CG-OE2 3.27Å; R1772-E1782 IonicContact NE-OE2 3.35Å; R1772-E1782 PolarHBondContact NE-OE2 3.11Å; Y1780-E1782 HydrophobicContact CD2-CB 3.96Å; Y1780-E1782 HydrophobicContact CE2-CB 4Å; E1782-V1784 HydrophobicContact CG-CG2 4.02Å |
| 1783 | A | 63.6 | Low | 72.5 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 51% | 0.512 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 99.5 | 174 | 0 | 0 | 0 | 0 | 0 | 108.5 | T1770 L1771 | T1770-A1783 WeakPolarHBondContact CA-O 3.43Å; L1771-A1783 HydrophobicContact CB-CB 4.22Å; L1771-A1783 PolarHBondContact N-O 3.14Å; L1771-A1783 PolarHBondContact O-N 3.38Å |
| 1784 | V | 61.5 | Low | 72.8 | Confident | 71 Ų | 71 | 63 Ų | 63 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 144.3 | 172.7 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | L1769 T1770 E1782 A1786 | L1769-V1784 WeakPolarHBondContact O-CA 3.34Å; T1770-V1784 HydrophobicContact CG2-CG2 4.03Å; E1782-V1784 HydrophobicContact CG-CG2 4.02Å; V1784-A1786 PolarHBondContact O-N 2.81Å |
| 1785 | S | 61.1 | Low | 73.6 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 42% | 0.42 | 32% | 0.317 | S | S | . | . | trans | -62.3 | 88.6 | 170 | 54.7 | 0 | 0 | 0 | 0 | 112 | L1769 | L1769-S1785 PolarHBondContact N-OG 3.01Å; L1769-S1785 VanDerWaalsContact N-OG 3.09Å; L1769-S1785 PolarHBondContact O-N 3.06Å | ||
| 1786 | A | 57.6 | Low | 74.4 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | trans | -84.6 | 143.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1784 R1843 | V1784-A1786 PolarHBondContact O-N 2.81Å; A1786-R1843 HydrophobicContact CB-CG 3.88Å | ||
| 1787 | M | 75.1 | Confident | 75.5 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 162.5 | 179.1 | -67.2 | -168.5 | -62.4 | 0 | 0 | 112.5 | I1766 R1843 I1844 D1845 N1846 L1849 | I1766-M1787 HydrophobicContact CD1-SD 4.44Å; M1787-R1843 WeakPolarHBondContact O-CA 3.41Å; M1787-I1844 HydrophobicContact CB-CG1 4.07Å; M1787-I1844 PolarHBondContact N-O 3.39Å; M1787-I1844 PolarHBondContact O-N 2.81Å; M1787-D1845 WeakPolarHBondContact CE-O 3.4Å; M1787-N1846 HydrophobicContact CE-CB 4.41Å; M1787-N1846 WeakPolarHBondContact CE-OD1 3.45Å; M1787-L1849 HydrophobicContact CE-CB 3.75Å; M1787-L1849 HydrophobicContact CE-CD2 3.37Å; M1787-L1849 HydrophobicContact CE-CG 4.2Å; M1787-L1849 HydrophobicContact SD-CD2 3.49Å; M1787-L1849 WeakPolarHBondContact SD-CD2 3.41Å |
| 1788 | R | 87.3 | Confident | 76.8 | Confident | 87 Ų | 87 | 58.4 Ų | 58.4 | 33% | 0.328 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.3 | 174.2 | -58.2 | 178.5 | -167 | 80.4 | -6.2 | 111 | L1811 V1841 Y1842 Y1871 A1874 W1875 | R1788-L1811 HydrophobicContact CG-CD1 4.22Å; R1788-V1841 HydrophobicContact CB-CG1 4.35Å; R1788-Y1842 CarbonylContact C-O 3.5Å; R1788-Y1842 WeakPolarHBondContact CA-O 3.37Å; R1788-Y1871 PolarHBondContact NE-O 2.8Å; R1788-Y1871 PolarHBondContact NH2-O 2.83Å; R1788-A1874 HydrophobicContact CB-CB 3.78Å; R1788-A1874 WeakPolarHBondContact O-CA 3.24Å; R1788-W1875 PolarHBondContact O-N 3.05Å |
| 1789 | I | 92.6 | Very high | 78.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 139 | 174.3 | -167.4 | 174.3 | 0 | 0 | 0 | 109.8 | V1791 M1805 V1841 Y1842 I1844 L1849 L1852 W1875 Y1877 | I1789-V1791 HydrophobicContact CD1-CG1 4.24Å; I1789-V1791 HydrophobicContact CG1-CG1 4.23Å; I1789-V1791 HydrophobicContact CG2-CG1 4.07Å; I1789-M1805 HydrophobicContact CG2-CE 3.8Å; I1789-V1841 CarbonylContact O-C 3.56Å; I1789-V1841 WeakPolarHBondContact O-CA 3.2Å; I1789-Y1842 PolarHBondContact N-O 2.94Å; I1789-Y1842 PolarHBondContact O-N 2.89Å; I1789-I1844 HydrophobicContact CB-CD1 3.84Å; I1789-I1844 HydrophobicContact CB-CG1 4.47Å; I1789-I1844 HydrophobicContact CG2-CD1 3.76Å; I1789-I1844 HydrophobicContact CG2-CG1 4.17Å; I1789-I1844 HydrophobicContact CG2-CG2 3.82Å; I1789-L1849 HydrophobicContact CD1-CD1 4.44Å; I1789-L1852 HydrophobicContact CD1-CD1 3.82Å; I1789-W1875 CarbonylContact C-O 3.38Å; I1789-W1875 WeakPolarHBondContact CA-O 3.15Å; I1789-W1875 HydrophobicContact CG1-CB 4.23Å; I1789-W1875 VanDerWaalsContact CG1-O 3.31Å; I1789-W1875 WeakPolarHBondContact CG1-O 3.25Å; I1789-Y1877 HydrophobicContact CD1-CD2 4.21Å; I1789-Y1877 HydrophobicContact CD1-CE2 3.6Å |
| 1790 | F | 94 | Very high | 79.4 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 117.5 | 166.8 | 172.8 | -107.8 | 0 | 0 | 0 | 108.6 | Y1792 F1814 I1816 V1837 G1839 E1840 V1841 I1867 W1875 M1876 | F1790-Y1792 HydrophobicContact CD1-CD1 4.32Å; F1790-Y1792 HydrophobicContact CE1-CD1 4.04Å; F1790-F1814 HydrophobicContact CD2-CB 4.19Å; F1790-F1814 AromaticContact CD2-CD1 3.87Å; F1790-F1814 HydrophobicContact CD2-CD1 3.87Å; F1790-F1814 HydrophobicContact CE2-CB 4.02Å; F1790-F1814 AromaticContact CE2-CD1 3.89Å; F1790-F1814 HydrophobicContact CE2-CD1 3.89Å; F1790-F1814 HydrophobicContact CE2-CG 4.39Å; F1790-I1816 HydrophobicContact CD1-CG2 4.36Å; F1790-I1816 HydrophobicContact CE1-CG2 3.55Å; F1790-I1816 HydrophobicContact CZ-CG2 3.83Å; F1790-V1837 HydrophobicContact CE1-CG1 4.47Å; F1790-G1839 VanDerWaalsContact CE2-CA 3.47Å; F1790-E1840 CarbonylContact C-O 3.52Å; F1790-E1840 WeakPolarHBondContact CA-O 3.42Å; F1790-V1841 HydrophobicContact CB-CG2 4.45Å; F1790-V1841 HydrophobicContact CD2-CG2 4Å; F1790-I1867 HydrophobicContact CB-CD1 3.64Å; F1790-I1867 HydrophobicContact CD1-CD1 3.89Å; F1790-I1867 HydrophobicContact CG-CD1 3.85Å; F1790-W1875 PolarHBondContact N-O 3.07Å; F1790-M1876 HydrophobicContact CD1-CB 4.34Å; F1790-M1876 HydrophobicContact CD1-CE 4.42Å; F1790-M1876 HydrophobicContact CD1-CG 3.95Å; F1790-M1876 HydrophobicContact CD1-SD 3.75Å; F1790-M1876 HydrophobicContact CE1-CE 4.18Å; F1790-M1876 HydrophobicContact CE1-SD 4.01Å |
| 1791 | V | 92.7 | Very high | 80.4 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 136 | 176.2 | -56.5 | 0 | 0 | 0 | 0 | 110 | I1789 L1795 M1805 G1839 E1840 Y1842 | I1789-V1791 HydrophobicContact CD1-CG1 4.24Å; I1789-V1791 HydrophobicContact CG1-CG1 4.23Å; I1789-V1791 HydrophobicContact CG2-CG1 4.07Å; V1791-L1795 HydrophobicContact CB-CB 3.76Å; V1791-L1795 HydrophobicContact CB-CD1 4.32Å; V1791-L1795 HydrophobicContact CG1-CB 4.25Å; V1791-L1795 HydrophobicContact CG1-CD1 4.19Å; V1791-L1795 HydrophobicContact CG2-CB 4.19Å; V1791-M1805 HydrophobicContact CG1-CE 3.85Å; V1791-M1805 HydrophobicContact CG1-SD 3.99Å; V1791-G1839 CarbonylContact O-C 3.59Å; V1791-G1839 VanDerWaalsContact O-CA 3.23Å; V1791-G1839 WeakPolarHBondContact O-CA 3.14Å; V1791-E1840 HydrophobicContact CG2-CB 4.17Å; V1791-E1840 PolarHBondContact N-O 2.65Å; V1791-E1840 PolarHBondContact O-N 3.24Å; V1791-Y1842 HydrophobicContact CG2-CD2 3.64Å; V1791-Y1842 HydrophobicContact CG2-CE2 3.57Å |
| 1792 | Y | 91.6 | Very high | 81.3 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 178.8 | 173.3 | 60.2 | -94.9 | 0 | 0 | 0 | 108.3 | F1790 L1821 P1828 A1830 V1837 M1876 Y1877 | F1790-Y1792 HydrophobicContact CD1-CD1 4.32Å; F1790-Y1792 HydrophobicContact CE1-CD1 4.04Å; Y1792-L1821 HydrophobicContact CD2-CD1 3.41Å; Y1792-L1821 VanDerWaalsContact CD2-CD1 3.41Å; Y1792-L1821 HydrophobicContact CE2-CD1 3.62Å; Y1792-L1821 HydrophobicContact CG-CD1 4.37Å; Y1792-P1828 HydrophobicContact CD2-CG 4.34Å; Y1792-P1828 HydrophobicContact CE2-CG 4.38Å; Y1792-A1830 HydrophobicContact CD1-CB 4.21Å; Y1792-A1830 HydrophobicContact CD2-CB 4.3Å; Y1792-A1830 HydrophobicContact CE1-CB 3.61Å; Y1792-A1830 HydrophobicContact CE2-CB 3.73Å; Y1792-A1830 WeakPolarHBondContact OH-CB 3.21Å; Y1792-A1830 PolarHBondContact OH-N 2.92Å; Y1792-A1830 VanDerWaalsContact OH-N 3.09Å; Y1792-V1837 HydrophobicContact CD1-CG1 4.37Å; Y1792-V1837 HydrophobicContact CD2-CG1 4.39Å; Y1792-V1837 HydrophobicContact CG-CG1 3.91Å; Y1792-M1876 HydrophobicContact CD1-CE 4.09Å; Y1792-M1876 HydrophobicContact CE1-CE 3.85Å; Y1792-M1876 HydrophobicContact CE1-CG 4.19Å; Y1792-Y1877 WeakPolarHBondContact CE1-O 3.36Å; Y1792-Y1877 PolarHBondContact OH-O 3.45Å |
| 1793 | G | 90.8 | Very high | 82 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | 69.1 | -141.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1795 R1796 P1828 W1894 | G1793-L1795 PolarHBondContact O-N 2.8Å; G1793-R1796 WeakPolarHBondContact O-CB 3.31Å; G1793-R1796 PolarHBondContact O-N 3.09Å; G1793-P1828 VanDerWaalsContact CA-CG 3.43Å; G1793-W1894 VanDerWaalsContact CA-CG 3.45Å |
| 1794 | S | 88 | Confident | 82.9 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -77.1 | -2.9 | -175.4 | 63.5 | 0 | 0 | 0 | 0 | 115.2 | Q1799 N1801 S1802 H1826 | S1794-Q1799 CarbonylContact O-C 3.6Å; S1794-Q1799 VanDerWaalsContact O-CB 3.25Å; S1794-Q1799 WeakPolarHBondContact O-CB 3.27Å; S1794-N1801 WeakPolarHBondContact CB-ND2 3.31Å; S1794-N1801 CarbonylContact O-C 3.57Å; S1794-N1801 VanDerWaalsContact O-CA 3.26Å; S1794-N1801 WeakPolarHBondContact O-CA 3.31Å; S1794-N1801 VanDerWaalsContact O-CB 3.31Å; S1794-N1801 WeakPolarHBondContact O-CB 3.38Å; S1794-N1801 PolarHBondContact O-N 2.89Å; S1794-N1801 PolarHBondContact OG-ND2 3.21Å; S1794-S1802 PolarHBondContact O-N 2.93Å; S1794-H1826 VanDerWaalsContact CB-O 3.23Å; S1794-H1826 WeakPolarHBondContact CB-O 3.19Å; S1794-H1826 PolarHBondContact OG-O 2.82Å |
| 1795 | L | 89.2 | Confident | 84 | Confident | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -82.9 | -18.8 | 172.2 | -73.6 | 171.8 | 0 | 0 | 0 | 113 | V1791 G1793 N1801 W1804 L1852 | V1791-L1795 HydrophobicContact CB-CB 3.76Å; V1791-L1795 HydrophobicContact CB-CD1 4.32Å; V1791-L1795 HydrophobicContact CG1-CB 4.25Å; V1791-L1795 HydrophobicContact CG1-CD1 4.19Å; V1791-L1795 HydrophobicContact CG2-CB 4.19Å; G1793-L1795 PolarHBondContact O-N 2.8Å; L1795-N1801 HydrophobicContact CD2-CB 4.09Å; L1795-W1804 HydrophobicContact CD2-CB 4.23Å; L1795-L1852 HydrophobicContact CD1-CD2 4.37Å; L1795-L1852 HydrophobicContact CD2-CD2 4.06Å |
| 1796 | R | 89.7 | Confident | 84.8 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 5% | 0.053 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -56.5 | 153.7 | 175.7 | -75.1 | -170.5 | 77.6 | 171.6 | 7.1 | 112.3 | G1793 K1798 Q1799 S1802 D1813 E1840 D1893 | G1793-R1796 WeakPolarHBondContact O-CB 3.31Å; G1793-R1796 PolarHBondContact O-N 3.09Å; R1796-K1798 PolarHBondContact O-N 3.34Å; R1796-Q1799 HydrophobicContact CB-CG 4.01Å; R1796-Q1799 VanDerWaalsContact O-CB 3.27Å; R1796-Q1799 WeakPolarHBondContact O-CB 3.34Å; R1796-Q1799 PolarHBondContact O-N 3.27Å; R1796-S1802 WeakPolarHBondContact O-CB 3.39Å; R1796-D1813 IonicContact CZ-OD1 2.71Å; R1796-D1813 IonicContact NH2-OD1 2.73Å; R1796-D1813 PolarHBondContact NH2-OD1 2.95Å; R1796-E1840 WeakPolarHBondContact CA-OE2 3.46Å; R1796-E1840 VanDerWaalsContact CB-OE1 3.27Å; R1796-E1840 WeakPolarHBondContact CB-OE1 3.45Å; R1796-E1840 HydrophobicContact CG-CG 4.41Å; R1796-E1840 WeakPolarHBondContact CG-OE1 3.36Å; R1796-E1840 IonicContact CZ-OE1 2.7Å; R1796-E1840 IonicContact NE-OE1 3.06Å; R1796-E1840 PolarHBondContact NE-OE1 3.04Å; R1796-E1840 IonicContact NH2-OE1 3.1Å; R1796-D1893 IonicContact CZ-OD2 3.12Å; R1796-D1893 IonicContact NH1-OD1 3.51Å; R1796-D1893 PolarHBondContact NH1-OD1 2.78Å; R1796-D1893 IonicContact NH1-OD2 2.62Å; R1796-D1893 PolarHBondContact NH1-OD2 3.11Å |
| 1797 | H | 84.4 | Confident | 85.5 | Confident | 94 Ų | 94 | 48 Ų | 48 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 135.5 | 179.5 | -172.9 | 63.5 | 0 | 0 | 0 | 112.3 | Q1799 E1840 | H1797-Q1799 PolarHBondContact O-N 3.44Å; H1797-E1840 WeakPolarHBondContact CB-OE2 3.42Å; H1797-E1840 PolarHBondContact N-OE1 2.79Å; H1797-E1840 PolarHBondContact N-OE2 2.95Å |
| 1798 | K | 82.3 | Confident | 85.9 | Confident | 170 Ų | 170 | 47.2 Ų | 47.2 | 74% | 0.739 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 8.9 | -175.4 | -57.9 | 163.5 | -179.3 | 165.3 | 0 | 115.6 | R1796 | R1796-K1798 PolarHBondContact O-N 3.34Š|
| 1799 | Q | 87.5 | Confident | 85.8 | Confident | 42 Ų | 42 | 47.8 Ų | 47.8 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -91.4 | 162.9 | 168.9 | -59.7 | -58.6 | -69.8 | 0 | 0 | 111.8 | S1794 R1796 H1797 N1801 S1802 L1895 | S1794-Q1799 CarbonylContact O-C 3.6Å; S1794-Q1799 VanDerWaalsContact O-CB 3.25Å; S1794-Q1799 WeakPolarHBondContact O-CB 3.27Å; R1796-Q1799 HydrophobicContact CB-CG 4.01Å; R1796-Q1799 VanDerWaalsContact O-CB 3.27Å; R1796-Q1799 WeakPolarHBondContact O-CB 3.34Å; R1796-Q1799 PolarHBondContact O-N 3.27Å; H1797-Q1799 PolarHBondContact O-N 3.44Å; Q1799-N1801 PolarHBondContact O-N 2.92Å; Q1799-S1802 VanDerWaalsContact O-CB 3.31Å; Q1799-S1802 WeakPolarHBondContact O-CB 3.28Å; Q1799-S1802 PolarHBondContact O-N 3.41Å; Q1799-S1802 PolarHBondContact O-OG 3.17Å; Q1799-L1895 HydrophobicContact CG-CD2 4.11Å; Q1799-L1895 VanDerWaalsContact NE2-CD2 3.26Å |
| 1800 | G | 80.6 | Confident | 85.6 | Confident | 63 Ų | 63 | 51 Ų | 51 | 65% | 0.649 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | H1803 | G1800-H1803 PolarHBondContact O-CE1 3.02Å; G1800-H1803 PolarHBondContact O-ND1 3.13Å; G1800-H1803 VanDerWaalsContact O-ND1 3.12Å |
| 1801 | N | 85.6 | Confident | 85.3 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 12.5 | 176.3 | -62.4 | -82.1 | 0 | 0 | 0 | 113.1 | S1794 L1795 Q1799 H1803 W1804 Y1827 | S1794-N1801 WeakPolarHBondContact CB-ND2 3.31Å; S1794-N1801 CarbonylContact O-C 3.57Å; S1794-N1801 VanDerWaalsContact O-CA 3.26Å; S1794-N1801 WeakPolarHBondContact O-CA 3.31Å; S1794-N1801 VanDerWaalsContact O-CB 3.31Å; S1794-N1801 WeakPolarHBondContact O-CB 3.38Å; S1794-N1801 PolarHBondContact O-N 2.89Å; S1794-N1801 PolarHBondContact OG-ND2 3.21Å; L1795-N1801 HydrophobicContact CD2-CB 4.09Å; Q1799-N1801 PolarHBondContact O-N 2.92Å; N1801-H1803 PolarHBondContact O-N 3.05Å; N1801-W1804 PolarHBondContact O-N 3.11Å; N1801-Y1827 HydrophobicContact CB-CE1 4.23Å; N1801-Y1827 WeakPolarHBondContact ND2-CE1 3.18Å; N1801-Y1827 WeakPolarHBondContact OD1-CE1 3.41Å; N1801-Y1827 PolarHBondContact OD1-OH 2.78Å; N1801-Y1827 VanDerWaalsContact OD1-OH 3.13Å |
| 1802 | S | 84.5 | Confident | 85.2 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 19% | 0.189 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -66.9 | -6.6 | 177.5 | 90.6 | 0 | 0 | 0 | 0 | 113.7 | S1794 R1796 Q1799 W1804 M1805 | S1794-S1802 PolarHBondContact O-N 2.93Å; R1796-S1802 WeakPolarHBondContact O-CB 3.39Å; Q1799-S1802 VanDerWaalsContact O-CB 3.31Å; Q1799-S1802 WeakPolarHBondContact O-CB 3.28Å; Q1799-S1802 PolarHBondContact O-N 3.41Å; Q1799-S1802 PolarHBondContact O-OG 3.17Å; S1802-W1804 VanDerWaalsContact C-N 3.3Å; S1802-M1805 PolarHBondContact O-N 2.9Å |
| 1803 | H | 82.6 | Confident | 85.1 | Confident | 103 Ų | 103 | 58 Ų | 58 | 48% | 0.477 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -66 | -30.3 | 176.1 | 56.2 | -97.9 | 0 | 0 | 0 | 112.8 | G1800 N1801 M1805 T1806 | G1800-H1803 PolarHBondContact O-CE1 3.02Å; G1800-H1803 PolarHBondContact O-ND1 3.13Å; G1800-H1803 VanDerWaalsContact O-ND1 3.12Å; N1801-H1803 PolarHBondContact O-N 3.05Å; H1803-M1805 PolarHBondContact O-N 2.7Å; H1803-T1806 WeakPolarHBondContact CA-OG1 3.39Å; H1803-T1806 WeakPolarHBondContact O-CB 3.33Å; H1803-T1806 PolarHBondContact O-N 3.15Å; H1803-T1806 PolarHBondContact O-OG1 2.91Å |
| 1804 | W | 81.8 | Confident | 85.3 | Confident | 69 Ų | 69 | 60 Ų | 60 | 26% | 0.261 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -65.3 | -16.9 | 170.1 | -60.4 | 102.4 | 0 | 0 | 0 | 113.1 | L1795 N1801 S1802 E1851 L1852 L1855 | L1795-W1804 HydrophobicContact CD2-CB 4.23Å; N1801-W1804 PolarHBondContact O-N 3.11Å; S1802-W1804 VanDerWaalsContact C-N 3.3Å; W1804-E1851 HydrophobicContact CE3-CB 4.28Å; W1804-E1851 HydrophobicContact CZ3-CB 4.25Å; W1804-L1852 HydrophobicContact CB-CD2 4Å; W1804-L1852 HydrophobicContact CG-CD2 4.47Å; W1804-L1855 HydrophobicContact CH2-CD1 4.09Å; W1804-L1855 HydrophobicContact CZ2-CD1 3.65Å |
| 1805 | M | 85.5 | Confident | 85.4 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -104.6 | 9.9 | 179.4 | -52.1 | -52.9 | -64.8 | 0 | 0 | 112.5 | I1789 V1791 S1802 H1803 N1807 A1808 Y1842 I1844 L1852 | I1789-M1805 HydrophobicContact CG2-CE 3.8Å; V1791-M1805 HydrophobicContact CG1-CE 3.85Å; V1791-M1805 HydrophobicContact CG1-SD 3.99Å; S1802-M1805 PolarHBondContact O-N 2.9Å; H1803-M1805 PolarHBondContact O-N 2.7Å; M1805-N1807 PolarHBondContact O-N 2.95Å; M1805-A1808 HydrophobicContact CB-CB 4.34Å; M1805-A1808 HydrophobicContact CE-CB 3.78Å; M1805-A1808 WeakPolarHBondContact O-CB 3.49Å; M1805-A1808 PolarHBondContact O-N 2.85Å; M1805-A1808 VanDerWaalsContact O-N 3.11Å; M1805-Y1842 HydrophobicContact CB-CD1 4.36Å; M1805-Y1842 HydrophobicContact CB-CE1 3.86Å; M1805-Y1842 HydrophobicContact CE-CD1 3.81Å; M1805-Y1842 HydrophobicContact CE-CD2 3.75Å; M1805-Y1842 HydrophobicContact CE-CE1 4.37Å; M1805-Y1842 HydrophobicContact CE-CE2 4.32Å; M1805-Y1842 HydrophobicContact CE-CG 3.44Å; M1805-Y1842 VanDerWaalsContact CE-CG 3.44Å; M1805-I1844 HydrophobicContact CE-CG2 4.05Å; M1805-L1852 HydrophobicContact SD-CD1 3.9Å |
| 1806 | T | 77.1 | Confident | 85.6 | Confident | 105 Ų | 105 | 62.4 Ų | 62.4 | 64% | 0.644 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -37.7 | -173.9 | -65.3 | 0 | 0 | 0 | 0 | 113.5 | H1803 | H1803-T1806 WeakPolarHBondContact CA-OG1 3.39Å; H1803-T1806 WeakPolarHBondContact O-CB 3.33Å; H1803-T1806 PolarHBondContact O-N 3.15Å; H1803-T1806 PolarHBondContact O-OG1 2.91Å |
| 1807 | N | 72.7 | Confident | 85.7 | Confident | 148 Ų | 148 | 66.3 Ų | 66.3 | 79% | 0.791 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.3 | 177.5 | -64.2 | -13.2 | 0 | 0 | 0 | 112.8 | M1805 | M1805-N1807 PolarHBondContact O-N 2.95Š|
| 1808 | A | 82.6 | Confident | 86.1 | Confident | 13 Ų | 13 | 67 Ų | 67 | 11% | 0.107 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -86.6 | 137.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1805 L1810 Y1842 I1844 | M1805-A1808 HydrophobicContact CB-CB 4.34Å; M1805-A1808 HydrophobicContact CE-CB 3.78Å; M1805-A1808 WeakPolarHBondContact O-CB 3.49Å; M1805-A1808 PolarHBondContact O-N 2.85Å; M1805-A1808 VanDerWaalsContact O-N 3.11Å; A1808-L1810 PolarHBondContact O-N 2.76Å; A1808-Y1842 HydrophobicContact CB-CD1 3.48Å; A1808-Y1842 VanDerWaalsContact CB-CD1 3.48Å; A1808-Y1842 HydrophobicContact CB-CE1 4.15Å; A1808-Y1842 HydrophobicContact CB-CG 4.23Å; A1808-I1844 HydrophobicContact CB-CG2 3.64Å |
| 1809 | Q | 85.1 | Confident | 86.7 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 46% | 0.458 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 112 | 177.5 | -177.9 | -175.8 | 1.4 | 0 | 0 | 110.6 | L1811 Y1842 R1843 | Q1809-L1811 HydrophobicContact CG-CD2 4.41Å; Q1809-L1811 PolarHBondContact O-N 2.82Å; Q1809-Y1842 CarbonylContact O-C 3.5Å; Q1809-Y1842 WeakPolarHBondContact O-CA 3.41Å; Q1809-R1843 HydrophobicContact CB-CB 4.39Å; Q1809-R1843 PolarHBondContact N-O 2.91Å; Q1809-R1843 PolarHBondContact O-N 3.12Å; Q1809-R1843 VanDerWaalsContact OE1-CZ 3.25Å |
| 1810 | L | 89.4 | Confident | 87 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 36% | 0.356 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 124.1 | 167.2 | 179.1 | 61.6 | 0 | 0 | 0 | 110 | A1808 E1840 Y1842 | A1808-L1810 PolarHBondContact O-N 2.76Å; L1810-E1840 HydrophobicContact CD1-CB 3.67Å; L1810-E1840 HydrophobicContact CD1-CG 3.87Å; L1810-Y1842 HydrophobicContact CB-CD1 4.14Å; L1810-Y1842 HydrophobicContact CB-CE1 3.81Å; L1810-Y1842 HydrophobicContact CD1-CD2 4.1Å; L1810-Y1842 HydrophobicContact CD1-CE1 4.49Å; L1810-Y1842 HydrophobicContact CD1-CE2 3.8Å |
| 1811 | L | 88.6 | Confident | 87.6 | Confident | 48 Ų | 48 | 57.2 Ų | 57.2 | 25% | 0.251 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -28.7 | 173.7 | -54.4 | -177.8 | 0 | 0 | 0 | 111.5 | R1788 Q1809 V1841 R1843 Y1871 | R1788-L1811 HydrophobicContact CG-CD1 4.22Å; Q1809-L1811 HydrophobicContact CG-CD2 4.41Å; Q1809-L1811 PolarHBondContact O-N 2.82Å; L1811-V1841 WeakPolarHBondContact CA-O 3.33Å; L1811-V1841 WeakPolarHBondContact CB-O 3.47Å; L1811-V1841 HydrophobicContact CD1-CG1 4.23Å; L1811-V1841 PolarHBondContact N-O 2.82Å; L1811-R1843 HydrophobicContact CD1-CB 4.22Å; L1811-R1843 HydrophobicContact CD2-CB 4Å; L1811-R1843 HydrophobicContact CG-CB 4.24Å; L1811-Y1871 HydrophobicContact CB-CD1 3.67Å; L1811-Y1871 HydrophobicContact CB-CD2 4.26Å; L1811-Y1871 HydrophobicContact CB-CE1 3.86Å; L1811-Y1871 HydrophobicContact CB-CE2 4.45Å; L1811-Y1871 HydrophobicContact CB-CG 3.87Å; L1811-Y1871 HydrophobicContact CD1-CD1 4.32Å; L1811-Y1871 HydrophobicContact CD1-CG 4.09Å; L1811-Y1871 WeakPolarHBondContact O-CE1 3.45Å; L1811-Y1871 PolarHBondContact O-OH 2.73Å |
| 1812 | G | 88.8 | Confident | 87.9 | Confident | 15 Ų | 15 | 58 Ų | 58 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.4 | 174.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1841 Y1871 | G1812-V1841 PolarHBondContact N-O 3.07Å; G1812-V1841 PolarHBondContact O-N 3.35Å; G1812-Y1871 WeakPolarHBondContact CA-OH 3.39Å |
| 1813 | D | 90.6 | Very high | 88.1 | Confident | 104 Ų | 104 | 58.3 Ų | 58.3 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 145.6 | 173.9 | -60.9 | -79.5 | 0 | 0 | 0 | 111.6 | R1796 G1839 E1840 | R1796-D1813 IonicContact CZ-OD1 2.71Å; R1796-D1813 IonicContact NH2-OD1 2.73Å; R1796-D1813 PolarHBondContact NH2-OD1 2.95Å; D1813-G1839 CarbonylContact C-O 3.38Å; D1813-G1839 WeakPolarHBondContact CA-O 3.25Å; D1813-E1840 WeakPolarHBondContact OD1-CG 3.27Å |
| 1814 | F | 93.9 | Very high | 88.3 | Confident | 41 Ų | 41 | 55.8 Ų | 55.8 | 18% | 0.18 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 156.9 | 173.3 | -179.5 | -125 | 0 | 0 | 0 | 110.2 | F1790 I1816 G1839 V1841 I1867 T1869 P1870 | F1790-F1814 HydrophobicContact CD2-CB 4.19Å; F1790-F1814 AromaticContact CD2-CD1 3.87Å; F1790-F1814 HydrophobicContact CD2-CD1 3.87Å; F1790-F1814 HydrophobicContact CE2-CB 4.02Å; F1790-F1814 AromaticContact CE2-CD1 3.89Å; F1790-F1814 HydrophobicContact CE2-CD1 3.89Å; F1790-F1814 HydrophobicContact CE2-CG 4.39Å; F1814-I1816 HydrophobicContact CE1-CB 3.97Å; F1814-I1816 HydrophobicContact CZ-CB 4.5Å; F1814-G1839 PolarHBondContact N-O 3.16Å; F1814-G1839 CarbonylContact O-C 3.59Å; F1814-G1839 PolarHBondContact O-N 2.89Å; F1814-V1841 HydrophobicContact CB-CG2 3.63Å; F1814-V1841 HydrophobicContact CD1-CG2 4.16Å; F1814-V1841 HydrophobicContact CG-CG2 4.17Å; F1814-I1867 HydrophobicContact CE1-CD1 4.34Å; F1814-T1869 HydrophobicContact CD1-CG2 3.75Å; F1814-T1869 HydrophobicContact CE1-CG2 3.74Å; F1814-P1870 HydrophobicContact CD2-CG 3.97Å; F1814-P1870 VanDerWaalsContact CE2-CD 3.42Å; F1814-P1870 HydrophobicContact CE2-CG 4.07Å |
| 1815 | S | 91.9 | Very high | 88.2 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 124.4 | 179.2 | -50.4 | 0 | 0 | 0 | 0 | 107.7 | V1837 H1838 | S1815-V1837 WeakPolarHBondContact CA-O 3.48Å; S1815-H1838 WeakPolarHBondContact CB-ND1 3.31Å; S1815-H1838 PolarHBondContact OG-CE1 2.77Å; S1815-H1838 PolarHBondContact OG-ND1 3.14Å |
| 1816 | I | 93 | Very high | 87.7 | Confident | 18 Ų | 18 | 61.5 Ų | 61.5 | 9% | 0.092 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 118.6 | -178.8 | -173.2 | 169.7 | 0 | 0 | 0 | 111.1 | F1790 F1814 Y1819 T1836 V1837 I1867 M1876 | F1790-I1816 HydrophobicContact CD1-CG2 4.36Å; F1790-I1816 HydrophobicContact CE1-CG2 3.55Å; F1790-I1816 HydrophobicContact CZ-CG2 3.83Å; F1814-I1816 HydrophobicContact CE1-CB 3.97Å; F1814-I1816 HydrophobicContact CZ-CB 4.5Å; I1816-Y1819 HydrophobicContact CD1-CD2 3.9Å; I1816-Y1819 HydrophobicContact CD1-CE2 3.57Å; I1816-Y1819 HydrophobicContact CG1-CD2 3.85Å; I1816-Y1819 HydrophobicContact CG1-CE2 3.99Å; I1816-Y1819 HydrophobicContact CG2-CD2 4.13Å; I1816-T1836 CarbonylContact O-C 3.59Å; I1816-T1836 WeakPolarHBondContact O-CA 3.25Å; I1816-V1837 HydrophobicContact CG2-CB 4.12Å; I1816-V1837 PolarHBondContact N-O 2.86Å; I1816-V1837 PolarHBondContact O-N 3.36Å; I1816-I1867 HydrophobicContact CD1-CB 3.82Å; I1816-I1867 HydrophobicContact CD1-CD1 3.68Å; I1816-I1867 HydrophobicContact CD1-CG1 4.38Å; I1816-I1867 HydrophobicContact CD1-CG2 3.65Å; I1816-M1876 HydrophobicContact CD1-SD 4.18Å; I1816-M1876 HydrophobicContact CG2-CE 4.18Å; I1816-M1876 HydrophobicContact CG2-SD 4.11Å |
| 1817 | D | 91.3 | Very high | 88 | Confident | 96 Ų | 96 | 60.6 Ų | 60.6 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 159.8 | 175.8 | -58.7 | -38.5 | 0 | 0 | 0 | 111.9 | Y1819 G1835 T1836 | D1817-Y1819 VanDerWaalsContact C-N 3.33Å; D1817-G1835 CarbonylContact C-O 3.5Å; D1817-T1836 WeakPolarHBondContact OD1-CB 3.27Å; D1817-T1836 VanDerWaalsContact OD1-CG2 3.25Å; D1817-T1836 WeakPolarHBondContact OD1-CG2 3.23Å; D1817-T1836 PolarHBondContact OD1-OG1 2.86Å |
| 1818 | N | 92.3 | Very high | 88.7 | Confident | 108 Ų | 108 | 53.8 Ų | 53.8 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 70.8 | 23.3 | -174.4 | -43.9 | -90.1 | 0 | 0 | 0 | 114.1 | P1832 G1833 G1835 | N1818-P1832 WeakPolarHBondContact O-CA 3.48Å; N1818-G1833 CarbonylContact C-O 3.57Å; N1818-G1833 WeakPolarHBondContact CA-O 3.45Å; N1818-G1833 PolarHBondContact O-N 2.79Å; N1818-G1833 VanDerWaalsContact O-O 3.13Å; N1818-G1835 PolarHBondContact N-O 2.67Å |
| 1819 | Y | 95.2 | Very high | 89.1 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148.5 | 169.6 | -69.8 | -95.5 | 0 | 0 | 0 | 111.1 | I1816 D1817 V1831 P1832 G1833 G1835 T1836 M1876 V1878 | I1816-Y1819 HydrophobicContact CD1-CD2 3.9Å; I1816-Y1819 HydrophobicContact CD1-CE2 3.57Å; I1816-Y1819 HydrophobicContact CG1-CD2 3.85Å; I1816-Y1819 HydrophobicContact CG1-CE2 3.99Å; I1816-Y1819 HydrophobicContact CG2-CD2 4.13Å; D1817-Y1819 VanDerWaalsContact C-N 3.33Å; Y1819-V1831 CarbonylContact C-O 3.47Å; Y1819-V1831 VanDerWaalsContact CA-O 3.26Å; Y1819-V1831 WeakPolarHBondContact CA-O 3.39Å; Y1819-P1832 HydrophobicContact CE1-CG 4.19Å; Y1819-G1833 PolarHBondContact N-O 2.91Å; Y1819-G1833 VanDerWaalsContact N-O 3.14Å; Y1819-G1835 PolarHBondContact N-O 3.14Å; Y1819-G1835 CarbonylContact O-C 3.53Å; Y1819-G1835 VanDerWaalsContact O-O 3.1Å; Y1819-T1836 CarbonylContact O-C 3.49Å; Y1819-T1836 PolarHBondContact O-N 3.12Å; Y1819-T1836 VanDerWaalsContact O-N 3.16Å; Y1819-M1876 HydrophobicContact CD1-CE 3.74Å; Y1819-M1876 HydrophobicContact CD2-CE 4.45Å; Y1819-M1876 HydrophobicContact CE1-CE 4.03Å; Y1819-M1876 HydrophobicContact CE1-SD 4.41Å; Y1819-M1876 HydrophobicContact CG-CE 3.97Å; Y1819-V1878 HydrophobicContact CE1-CG1 3.98Å; Y1819-V1878 HydrophobicContact CE1-CG2 3.78Å |
| 1820 | Q | 92.9 | Very high | 89.5 | Confident | 49 Ų | 49 | 48.5 Ų | 48.5 | 23% | 0.229 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.8 | 173.6 | -76.8 | 178.2 | -21 | 0 | 0 | 110.1 | Y1822 A1830 V1831 N1834 L1888 | Q1820-Y1822 HydrophobicContact CB-CD2 4.5Å; Q1820-Y1822 HydrophobicContact CB-CE2 3.88Å; Q1820-A1830 WeakPolarHBondContact O-CA 3.37Å; Q1820-V1831 PolarHBondContact N-O 3.07Å; Q1820-V1831 PolarHBondContact O-N 2.94Å; Q1820-N1834 PolarHBondContact NE2-O 3.38Å; Q1820-L1888 HydrophobicContact CB-CD1 3.87Å; Q1820-L1888 HydrophobicContact CG-CD1 4.29Å |
| 1821 | L | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.4 | -175.8 | -168.2 | 68 | 0 | 0 | 0 | 111.2 | Y1792 P1828 A1830 V1837 I1889 W1894 | Y1792-L1821 HydrophobicContact CD2-CD1 3.41Å; Y1792-L1821 VanDerWaalsContact CD2-CD1 3.41Å; Y1792-L1821 HydrophobicContact CE2-CD1 3.62Å; Y1792-L1821 HydrophobicContact CG-CD1 4.37Å; L1821-P1828 HydrophobicContact CD1-CB 3.82Å; L1821-P1828 HydrophobicContact CD1-CG 4.14Å; L1821-P1828 HydrophobicContact CG-CB 4.1Å; L1821-A1830 HydrophobicContact CD1-CB 4.2Å; L1821-V1837 HydrophobicContact CB-CG2 4.13Å; L1821-V1837 HydrophobicContact CD1-CG1 4.22Å; L1821-I1889 HydrophobicContact CB-CB 4.42Å; L1821-I1889 HydrophobicContact CD2-CD1 3.96Å; L1821-I1889 HydrophobicContact CG-CD1 4.12Å; L1821-I1889 WeakPolarHBondContact O-CB 3.4Å; L1821-I1889 PolarHBondContact O-N 2.76Å; L1821-W1894 HydrophobicContact CD2-CB 4.1Å |
| 1822 | Y | 92.4 | Very high | 89.7 | Confident | 33 Ų | 33 | 47.9 Ų | 47.9 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 138.4 | 176.7 | -72.4 | -100 | 0 | 0 | 0 | 111.1 | Q1820 L1824 P1828 G1829 V1831 V1883 L1886 L1888 | Q1820-Y1822 HydrophobicContact CB-CD2 4.5Å; Q1820-Y1822 HydrophobicContact CB-CE2 3.88Å; Y1822-L1824 PolarHBondContact O-N 3.27Å; Y1822-P1828 CarbonylContact O-C 3.59Å; Y1822-P1828 WeakPolarHBondContact O-CA 3.14Å; Y1822-P1828 WeakPolarHBondContact O-CB 3.35Å; Y1822-G1829 PolarHBondContact N-O 2.96Å; Y1822-G1829 PolarHBondContact O-N 3.01Å; Y1822-V1831 HydrophobicContact CD2-CG2 3.7Å; Y1822-V1831 HydrophobicContact CE2-CG2 3.56Å; Y1822-V1883 HydrophobicContact CD1-CB 3.83Å; Y1822-V1883 HydrophobicContact CD1-CG1 4.29Å; Y1822-V1883 HydrophobicContact CD1-CG2 4.4Å; Y1822-V1883 HydrophobicContact CD2-CB 4.17Å; Y1822-V1883 HydrophobicContact CD2-CG1 3.94Å; Y1822-V1883 HydrophobicContact CD2-CG2 4.4Å; Y1822-V1883 HydrophobicContact CE1-CB 3.86Å; Y1822-V1883 HydrophobicContact CE1-CG2 3.94Å; Y1822-V1883 HydrophobicContact CE2-CB 4.22Å; Y1822-V1883 HydrophobicContact CE2-CG1 4.33Å; Y1822-V1883 HydrophobicContact CE2-CG2 3.96Å; Y1822-V1883 HydrophobicContact CG-CB 3.99Å; Y1822-V1883 HydrophobicContact CG-CG1 3.93Å; Y1822-L1886 HydrophobicContact CD1-CB 4.11Å; Y1822-L1888 HydrophobicContact CD1-CB 4.25Å; Y1822-L1888 HydrophobicContact CD2-CD1 4.27Å; Y1822-L1888 HydrophobicContact CE1-CB 3.88Å; Y1822-L1888 HydrophobicContact CE1-CD1 4.26Å; Y1822-L1888 HydrophobicContact CE2-CD1 3.85Å |
| 1823 | S | 89.1 | Confident | 89.6 | Confident | 33 Ų | 33 | 48.1 Ų | 48.1 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 116.8 | 176.2 | -170.5 | 0 | 0 | 0 | 0 | 110.9 | K1887 | S1823-K1887 PolarHBondContact N-O 2.81Å |
| 1824 | L | 85.5 | Confident | 89.3 | Confident | 51 Ų | 51 | 50.4 Ų | 50.4 | 27% | 0.267 | 28% | 0.278 | S | S | . | . | trans | -111.8 | 26.6 | 174.4 | -33.9 | 172.7 | 0 | 0 | 0 | 110.9 | Y1822 Y1827 Y1879 L1886 | Y1822-L1824 PolarHBondContact O-N 3.27Å; L1824-Y1827 VanDerWaalsContact CB-O 3.28Å; L1824-Y1827 WeakPolarHBondContact CB-O 3.19Å; L1824-Y1879 HydrophobicContact CD1-CD1 4.28Å; L1824-Y1879 HydrophobicContact CD1-CD2 3.67Å; L1824-Y1879 HydrophobicContact CD1-CE1 3.98Å; L1824-Y1879 HydrophobicContact CD1-CE2 3.32Å; L1824-Y1879 HydrophobicContact CD1-CG 4.13Å; L1824-Y1879 VanDerWaalsContact CD1-CZ 3.48Å; L1824-Y1879 HydrophobicContact CD2-CE1 4.39Å; L1824-L1886 HydrophobicContact CD2-CD1 3.5Å; L1824-L1886 VanDerWaalsContact CD2-CD1 3.5Å; L1824-L1886 HydrophobicContact CD2-CD2 3.99Å; L1824-L1886 HydrophobicContact CD2-CG 4.21Å | ||
| 1825 | G | 80.5 | Confident | 89.1 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 81.9 | -135.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1827 W1894 | G1825-Y1827 PolarHBondContact O-N 2.92Å; G1825-W1894 WeakPolarHBondContact O-CH2 3.19Å |
| 1826 | H | 75.4 | Confident | 89.1 | Confident | 152 Ų | 152 | 49.5 Ų | 49.5 | 70% | 0.704 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -61.1 | -16.1 | -172.1 | -72.9 | -72.2 | 0 | 0 | 0 | 115.4 | S1794 | S1794-H1826 VanDerWaalsContact CB-O 3.23Å; S1794-H1826 WeakPolarHBondContact CB-O 3.19Å; S1794-H1826 PolarHBondContact OG-O 2.82Å |
| 1827 | Y | 82.1 | Confident | 89.2 | Confident | 85 Ų | 85 | 48.6 Ų | 48.6 | 33% | 0.333 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -130.6 | 96.7 | -180 | -58.9 | -54.9 | 0 | 0 | 0 | 109.3 | N1801 L1824 G1825 Y1862 | N1801-Y1827 HydrophobicContact CB-CE1 4.23Å; N1801-Y1827 WeakPolarHBondContact ND2-CE1 3.18Å; N1801-Y1827 WeakPolarHBondContact OD1-CE1 3.41Å; N1801-Y1827 PolarHBondContact OD1-OH 2.78Å; N1801-Y1827 VanDerWaalsContact OD1-OH 3.13Å; L1824-Y1827 VanDerWaalsContact CB-O 3.28Å; L1824-Y1827 WeakPolarHBondContact CB-O 3.19Å; G1825-Y1827 PolarHBondContact O-N 2.92Å; Y1827-Y1862 PolarHBondContact O-OH 3.24Å |
| 1828 | P | 89 | Confident | 89.4 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.032 | 26% | 0.264 | C | S | . | . | trans | -67.1 | 159.1 | 177.2 | 30.2 | -36.7 | 0 | 0 | 0 | 111.6 | Y1792 G1793 L1821 Y1822 Y1862 W1894 | Y1792-P1828 HydrophobicContact CD2-CG 4.34Å; Y1792-P1828 HydrophobicContact CE2-CG 4.38Å; G1793-P1828 VanDerWaalsContact CA-CG 3.43Å; L1821-P1828 HydrophobicContact CD1-CB 3.82Å; L1821-P1828 HydrophobicContact CD1-CG 4.14Å; L1821-P1828 HydrophobicContact CG-CB 4.1Å; Y1822-P1828 CarbonylContact O-C 3.59Å; Y1822-P1828 WeakPolarHBondContact O-CA 3.14Å; Y1822-P1828 WeakPolarHBondContact O-CB 3.35Å; P1828-Y1862 PolarHBondContact O-OH 3.28Å; P1828-W1894 HydrophobicContact CB-CE3 3.75Å; P1828-W1894 HydrophobicContact CB-CZ3 3.8Å; P1828-W1894 HydrophobicContact CG-CD2 4.03Å; P1828-W1894 HydrophobicContact CG-CE3 3.55Å; P1828-W1894 HydrophobicContact CG-CZ3 3.9Å | ||
| 1829 | G | 90.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 116.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y1822 | Y1822-G1829 PolarHBondContact N-O 2.96Å; Y1822-G1829 PolarHBondContact O-N 3.01Å |
| 1830 | A | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.3 | 163 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y1792 Q1820 L1821 V1837 M1876 Y1879 | Y1792-A1830 HydrophobicContact CD1-CB 4.21Å; Y1792-A1830 HydrophobicContact CD2-CB 4.3Å; Y1792-A1830 HydrophobicContact CE1-CB 3.61Å; Y1792-A1830 HydrophobicContact CE2-CB 3.73Å; Y1792-A1830 WeakPolarHBondContact OH-CB 3.21Å; Y1792-A1830 PolarHBondContact OH-N 2.92Å; Y1792-A1830 VanDerWaalsContact OH-N 3.09Å; Q1820-A1830 WeakPolarHBondContact O-CA 3.37Å; L1821-A1830 HydrophobicContact CD1-CB 4.2Å; A1830-V1837 HydrophobicContact CB-CG1 4.45Å; A1830-V1837 HydrophobicContact CB-CG2 4.15Å; A1830-M1876 HydrophobicContact CB-CE 3.5Å; A1830-M1876 VanDerWaalsContact CB-CE 3.5Å; A1830-Y1879 PolarHBondContact O-N 2.88Å |
| 1831 | V | 91.6 | Very high | 89.5 | Confident | 14 Ų | 14 | 39 Ų | 39 | 9% | 0.085 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 154 | 175.7 | -61.7 | 0 | 0 | 0 | 0 | 109.9 | Y1819 Q1820 Y1822 G1833 Y1879 V1883 | Y1819-V1831 CarbonylContact C-O 3.47Å; Y1819-V1831 VanDerWaalsContact CA-O 3.26Å; Y1819-V1831 WeakPolarHBondContact CA-O 3.39Å; Q1820-V1831 PolarHBondContact N-O 3.07Å; Q1820-V1831 PolarHBondContact O-N 2.94Å; Y1822-V1831 HydrophobicContact CD2-CG2 3.7Å; Y1822-V1831 HydrophobicContact CE2-CG2 3.56Å; V1831-G1833 PolarHBondContact O-N 3.09Å; V1831-Y1879 HydrophobicContact CG1-CD1 4.05Å; V1831-Y1879 HydrophobicContact CG1-CG 4.5Å; V1831-V1883 HydrophobicContact CG1-CG1 3.77Å; V1831-V1883 HydrophobicContact CG2-CG1 4.21Å |
| 1832 | P | 90.3 | Very high | 89.4 | Confident | 89 Ų | 89 | 39.3 Ų | 39.3 | 58% | 0.578 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 129.3 | 172.9 | -22 | 34.4 | 0 | 0 | 0 | 110.6 | N1818 Y1819 V1878 | N1818-P1832 WeakPolarHBondContact O-CA 3.48Å; Y1819-P1832 HydrophobicContact CE1-CG 4.19Å; P1832-V1878 HydrophobicContact CG-CG1 4.31Å |
| 1833 | G | 87.1 | Confident | 89.1 | Confident | 21 Ų | 21 | 43.5 Ų | 43.5 | 22% | 0.216 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | 163 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1818 Y1819 V1831 G1835 | N1818-G1833 CarbonylContact C-O 3.57Å; N1818-G1833 WeakPolarHBondContact CA-O 3.45Å; N1818-G1833 PolarHBondContact O-N 2.79Å; N1818-G1833 VanDerWaalsContact O-O 3.13Å; Y1819-G1833 PolarHBondContact N-O 2.91Å; Y1819-G1833 VanDerWaalsContact N-O 3.14Å; V1831-G1833 PolarHBondContact O-N 3.09Å; G1833-G1835 VanDerWaalsContact C-N 3.28Å; G1833-G1835 PolarHBondContact O-N 2.87Å |
| 1834 | N | 84.4 | Confident | 88.9 | Confident | 151 Ų | 151 | 42.3 Ų | 42.3 | 81% | 0.807 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 70.9 | -170.4 | -156 | 39.6 | 0 | 0 | 0 | 112 | Q1820 | Q1820-N1834 PolarHBondContact NE2-O 3.38Å |
| 1835 | G | 89.4 | Confident | 88.2 | Confident | 28 Ų | 28 | 43.9 Ų | 43.9 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | -166.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1817 N1818 Y1819 G1833 | D1817-G1835 CarbonylContact C-O 3.5Å; N1818-G1835 PolarHBondContact N-O 2.67Å; Y1819-G1835 PolarHBondContact N-O 3.14Å; Y1819-G1835 CarbonylContact O-C 3.53Å; Y1819-G1835 VanDerWaalsContact O-O 3.1Å; G1833-G1835 VanDerWaalsContact C-N 3.28Å; G1833-G1835 PolarHBondContact O-N 2.87Å |
| 1836 | T | 92.9 | Very high | 87.6 | Confident | 44 Ų | 44 | 44.5 Ų | 44.5 | 27% | 0.27 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 144.7 | 178.6 | -52.1 | 0 | 0 | 0 | 0 | 109.3 | I1816 D1817 Y1819 G1892 | I1816-T1836 CarbonylContact O-C 3.59Å; I1816-T1836 WeakPolarHBondContact O-CA 3.25Å; D1817-T1836 WeakPolarHBondContact OD1-CB 3.27Å; D1817-T1836 VanDerWaalsContact OD1-CG2 3.25Å; D1817-T1836 WeakPolarHBondContact OD1-CG2 3.23Å; D1817-T1836 PolarHBondContact OD1-OG1 2.86Å; Y1819-T1836 CarbonylContact O-C 3.49Å; Y1819-T1836 PolarHBondContact O-N 3.12Å; Y1819-T1836 VanDerWaalsContact O-N 3.16Å; T1836-G1892 WeakPolarHBondContact O-CA 3.21Å |
| 1837 | V | 95.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125 | 170.7 | 177.1 | 0 | 0 | 0 | 0 | 110 | F1790 Y1792 S1815 I1816 L1821 A1830 | F1790-V1837 HydrophobicContact CE1-CG1 4.47Å; Y1792-V1837 HydrophobicContact CD1-CG1 4.37Å; Y1792-V1837 HydrophobicContact CD2-CG1 4.39Å; Y1792-V1837 HydrophobicContact CG-CG1 3.91Å; S1815-V1837 WeakPolarHBondContact CA-O 3.48Å; I1816-V1837 HydrophobicContact CG2-CB 4.12Å; I1816-V1837 PolarHBondContact N-O 2.86Å; I1816-V1837 PolarHBondContact O-N 3.36Å; L1821-V1837 HydrophobicContact CB-CG2 4.13Å; L1821-V1837 HydrophobicContact CD1-CG1 4.22Å; A1830-V1837 HydrophobicContact CB-CG1 4.45Å; A1830-V1837 HydrophobicContact CB-CG2 4.15Å |
| 1838 | H | 93.9 | Very high | 87.2 | Confident | 61 Ų | 61 | 36.7 Ų | 36.7 | 28% | 0.282 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 135.3 | 177 | -63.3 | -71.7 | 0 | 0 | 0 | 111.1 | S1815 S1891 G1892 D1893 | S1815-H1838 WeakPolarHBondContact CB-ND1 3.31Å; S1815-H1838 PolarHBondContact OG-CE1 2.77Å; S1815-H1838 PolarHBondContact OG-ND1 3.14Å; H1838-S1891 PolarHBondContact CD2-O 2.75Å; H1838-G1892 PolarHBondContact N-O 3.19Å; H1838-D1893 HydrophobicContact CB-CB 3.78Å |
| 1839 | G | 94.2 | Very high | 86.9 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | -161.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1790 V1791 D1813 F1814 | F1790-G1839 VanDerWaalsContact CE2-CA 3.47Å; V1791-G1839 CarbonylContact O-C 3.59Å; V1791-G1839 VanDerWaalsContact O-CA 3.23Å; V1791-G1839 WeakPolarHBondContact O-CA 3.14Å; D1813-G1839 CarbonylContact C-O 3.38Å; D1813-G1839 WeakPolarHBondContact CA-O 3.25Å; F1814-G1839 PolarHBondContact N-O 3.16Å; F1814-G1839 CarbonylContact O-C 3.59Å; F1814-G1839 PolarHBondContact O-N 2.89Å |
| 1840 | E | 94.1 | Very high | 86 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 135.3 | -169.3 | -77.9 | 158.5 | -143.8 | 0 | 0 | 109.9 | F1790 V1791 R1796 H1797 L1810 D1813 Y1842 | F1790-E1840 CarbonylContact C-O 3.52Å; F1790-E1840 WeakPolarHBondContact CA-O 3.42Å; V1791-E1840 HydrophobicContact CG2-CB 4.17Å; V1791-E1840 PolarHBondContact N-O 2.65Å; V1791-E1840 PolarHBondContact O-N 3.24Å; R1796-E1840 WeakPolarHBondContact CA-OE2 3.46Å; R1796-E1840 VanDerWaalsContact CB-OE1 3.27Å; R1796-E1840 WeakPolarHBondContact CB-OE1 3.45Å; R1796-E1840 HydrophobicContact CG-CG 4.41Å; R1796-E1840 WeakPolarHBondContact CG-OE1 3.36Å; R1796-E1840 IonicContact CZ-OE1 2.7Å; R1796-E1840 IonicContact NE-OE1 3.06Å; R1796-E1840 PolarHBondContact NE-OE1 3.04Å; R1796-E1840 IonicContact NH2-OE1 3.1Å; H1797-E1840 WeakPolarHBondContact CB-OE2 3.42Å; H1797-E1840 PolarHBondContact N-OE1 2.79Å; H1797-E1840 PolarHBondContact N-OE2 2.95Å; L1810-E1840 HydrophobicContact CD1-CB 3.67Å; L1810-E1840 HydrophobicContact CD1-CG 3.87Å; D1813-E1840 WeakPolarHBondContact OD1-CG 3.27Å; E1840-Y1842 HydrophobicContact CB-CD2 4.12Å; E1840-Y1842 HydrophobicContact CB-CE2 3.76Å; E1840-Y1842 WeakPolarHBondContact OE2-CE2 3.44Å; E1840-Y1842 PolarHBondContact OE2-OH 3.28Å |
| 1841 | V | 93.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.9 | 174.6 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | R1788 I1789 F1790 L1811 G1812 F1814 T1869 Y1871 A1874 | R1788-V1841 HydrophobicContact CB-CG1 4.35Å; I1789-V1841 CarbonylContact O-C 3.56Å; I1789-V1841 WeakPolarHBondContact O-CA 3.2Å; F1790-V1841 HydrophobicContact CB-CG2 4.45Å; F1790-V1841 HydrophobicContact CD2-CG2 4Å; L1811-V1841 WeakPolarHBondContact CA-O 3.33Å; L1811-V1841 WeakPolarHBondContact CB-O 3.47Å; L1811-V1841 HydrophobicContact CD1-CG1 4.23Å; L1811-V1841 PolarHBondContact N-O 2.82Å; G1812-V1841 PolarHBondContact N-O 3.07Å; G1812-V1841 PolarHBondContact O-N 3.35Å; F1814-V1841 HydrophobicContact CB-CG2 3.63Å; F1814-V1841 HydrophobicContact CD1-CG2 4.16Å; F1814-V1841 HydrophobicContact CG-CG2 4.17Å; V1841-T1869 HydrophobicContact CG2-CG2 3.81Å; V1841-Y1871 HydrophobicContact CB-CD2 3.7Å; V1841-Y1871 HydrophobicContact CB-CE2 4.15Å; V1841-Y1871 HydrophobicContact CG1-CD2 4.02Å; V1841-Y1871 HydrophobicContact CG1-CG 4.47Å; V1841-Y1871 HydrophobicContact CG2-CD2 3.87Å; V1841-Y1871 HydrophobicContact CG2-CE2 4.25Å; V1841-A1874 HydrophobicContact CG1-CB 4.24Å |
| 1842 | Y | 92.4 | Very high | 85 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 146.6 | 177.1 | -79.8 | -99.9 | 0 | 0 | 0 | 111 | R1788 I1789 V1791 M1805 A1808 Q1809 L1810 E1840 | R1788-Y1842 CarbonylContact C-O 3.5Å; R1788-Y1842 WeakPolarHBondContact CA-O 3.37Å; I1789-Y1842 PolarHBondContact N-O 2.94Å; I1789-Y1842 PolarHBondContact O-N 2.89Å; V1791-Y1842 HydrophobicContact CG2-CD2 3.64Å; V1791-Y1842 HydrophobicContact CG2-CE2 3.57Å; M1805-Y1842 HydrophobicContact CB-CD1 4.36Å; M1805-Y1842 HydrophobicContact CB-CE1 3.86Å; M1805-Y1842 HydrophobicContact CE-CD1 3.81Å; M1805-Y1842 HydrophobicContact CE-CD2 3.75Å; M1805-Y1842 HydrophobicContact CE-CE1 4.37Å; M1805-Y1842 HydrophobicContact CE-CE2 4.32Å; M1805-Y1842 HydrophobicContact CE-CG 3.44Å; M1805-Y1842 VanDerWaalsContact CE-CG 3.44Å; A1808-Y1842 HydrophobicContact CB-CD1 3.48Å; A1808-Y1842 VanDerWaalsContact CB-CD1 3.48Å; A1808-Y1842 HydrophobicContact CB-CE1 4.15Å; A1808-Y1842 HydrophobicContact CB-CG 4.23Å; Q1809-Y1842 CarbonylContact O-C 3.5Å; Q1809-Y1842 WeakPolarHBondContact O-CA 3.41Å; L1810-Y1842 HydrophobicContact CB-CD1 4.14Å; L1810-Y1842 HydrophobicContact CB-CE1 3.81Å; L1810-Y1842 HydrophobicContact CD1-CD2 4.1Å; L1810-Y1842 HydrophobicContact CD1-CE1 4.49Å; L1810-Y1842 HydrophobicContact CD1-CE2 3.8Å; E1840-Y1842 HydrophobicContact CB-CD2 4.12Å; E1840-Y1842 HydrophobicContact CB-CE2 3.76Å; E1840-Y1842 WeakPolarHBondContact OE2-CE2 3.44Å; E1840-Y1842 PolarHBondContact OE2-OH 3.28Å |
| 1843 | R | 86.2 | Confident | 84.7 | Confident | 121 Ų | 121 | 41.6 Ų | 41.6 | 46% | 0.457 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.1 | 160.7 | -177.3 | 174 | 70.7 | 148.6 | 3.4 | 108.9 | A1786 M1787 Q1809 L1811 | A1786-R1843 HydrophobicContact CB-CG 3.88Å; M1787-R1843 WeakPolarHBondContact O-CA 3.41Å; Q1809-R1843 HydrophobicContact CB-CB 4.39Å; Q1809-R1843 PolarHBondContact N-O 2.91Å; Q1809-R1843 PolarHBondContact O-N 3.12Å; Q1809-R1843 VanDerWaalsContact OE1-CZ 3.25Å; L1811-R1843 HydrophobicContact CD1-CB 4.22Å; L1811-R1843 HydrophobicContact CD2-CB 4Å; L1811-R1843 HydrophobicContact CG-CB 4.24Å |
| 1844 | I | 84.3 | Confident | 84.1 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 5% | 0.046 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 161.7 | -174.1 | 55.7 | 167.7 | 0 | 0 | 0 | 111.7 | M1787 I1789 M1805 A1808 T1848 L1849 | M1787-I1844 HydrophobicContact CB-CG1 4.07Å; M1787-I1844 PolarHBondContact N-O 3.39Å; M1787-I1844 PolarHBondContact O-N 2.81Å; I1789-I1844 HydrophobicContact CB-CD1 3.84Å; I1789-I1844 HydrophobicContact CB-CG1 4.47Å; I1789-I1844 HydrophobicContact CG2-CD1 3.76Å; I1789-I1844 HydrophobicContact CG2-CG1 4.17Å; I1789-I1844 HydrophobicContact CG2-CG2 3.82Å; M1805-I1844 HydrophobicContact CE-CG2 4.05Å; A1808-I1844 HydrophobicContact CB-CG2 3.64Å; I1844-T1848 HydrophobicContact CB-CG2 4.33Å; I1844-T1848 HydrophobicContact CG2-CG2 3.86Å; I1844-L1849 HydrophobicContact CD1-CB 3.83Å; I1844-L1849 HydrophobicContact CD1-CD1 3.92Å; I1844-L1849 HydrophobicContact CD1-CG 4.32Å |
| 1845 | D | 72.6 | Confident | 83.6 | Confident | 83 Ų | 83 | 39.4 Ų | 39.4 | 44% | 0.444 | 23% | 0.229 | S | C | . | . | trans | -93.2 | 179.1 | 168.4 | 56.7 | 23.1 | 0 | 0 | 0 | 112 | M1787 A1847 T1848 L1849 | M1787-D1845 WeakPolarHBondContact CE-O 3.4Å; D1845-A1847 VanDerWaalsContact C-N 3.34Å; D1845-A1847 PolarHBondContact OD1-N 3.41Å; D1845-T1848 VanDerWaalsContact OD1-CB 3.23Å; D1845-T1848 WeakPolarHBondContact OD1-CB 3.35Å; D1845-T1848 PolarHBondContact OD1-N 3.4Å; D1845-T1848 PolarHBondContact OD1-OG1 3.01Å; D1845-L1849 PolarHBondContact O-N 3.44Å | ||
| 1846 | N | 67.6 | Low | 82.8 | Confident | 54 Ų | 54 | 38.7 Ų | 38.7 | 29% | 0.289 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.6 | -35.5 | 176 | -81.3 | 28.8 | 0 | 0 | 0 | 112.2 | D1764 M1787 L1849 A1850 | D1764-N1846 PolarHBondContact OD2-ND2 2.88Å; M1787-N1846 HydrophobicContact CE-CB 4.41Å; M1787-N1846 WeakPolarHBondContact CE-OD1 3.45Å; N1846-L1849 PolarHBondContact O-N 3.02Å; N1846-A1850 WeakPolarHBondContact O-CB 3.25Å; N1846-A1850 PolarHBondContact O-N 3.47Å |
| 1847 | A | 69 | Low | 81.7 | Confident | 64 Ų | 64 | 39.2 Ų | 39.2 | 53% | 0.529 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.5 | -50.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1845 L1849 A1850 E1851 | D1845-A1847 VanDerWaalsContact C-N 3.34Å; D1845-A1847 PolarHBondContact OD1-N 3.41Å; A1847-L1849 VanDerWaalsContact C-N 3.27Å; A1847-L1849 PolarHBondContact O-N 2.78Å; A1847-A1850 PolarHBondContact O-N 2.79Å; A1847-E1851 PolarHBondContact O-N 2.88Å |
| 1848 | T | 79 | Confident | 80.4 | Confident | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 176.1 | -49.1 | 0 | 0 | 0 | 0 | 111.2 | I1844 D1845 L1852 | I1844-T1848 HydrophobicContact CB-CG2 4.33Å; I1844-T1848 HydrophobicContact CG2-CG2 3.86Å; D1845-T1848 VanDerWaalsContact OD1-CB 3.23Å; D1845-T1848 WeakPolarHBondContact OD1-CB 3.35Å; D1845-T1848 PolarHBondContact OD1-N 3.4Å; D1845-T1848 PolarHBondContact OD1-OG1 3.01Å; T1848-L1852 HydrophobicContact CG2-CD1 4.11Å; T1848-L1852 WeakPolarHBondContact O-CB 3.14Å; T1848-L1852 WeakPolarHBondContact O-CD1 3.3Å; T1848-L1852 WeakPolarHBondContact O-CG 3.19Å; T1848-L1852 PolarHBondContact O-N 3.38Å; T1848-L1852 VanDerWaalsContact O-N 3.15Å |
| 1849 | L | 82.2 | Confident | 79.3 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 176.6 | -170.2 | 55.2 | 0 | 0 | 0 | 112.2 | M1787 I1789 I1844 D1845 N1846 A1847 L1852 D1853 | M1787-L1849 HydrophobicContact CE-CB 3.75Å; M1787-L1849 HydrophobicContact CE-CD2 3.37Å; M1787-L1849 HydrophobicContact CE-CG 4.2Å; M1787-L1849 HydrophobicContact SD-CD2 3.49Å; M1787-L1849 WeakPolarHBondContact SD-CD2 3.41Å; I1789-L1849 HydrophobicContact CD1-CD1 4.44Å; I1844-L1849 HydrophobicContact CD1-CB 3.83Å; I1844-L1849 HydrophobicContact CD1-CD1 3.92Å; I1844-L1849 HydrophobicContact CD1-CG 4.32Å; D1845-L1849 PolarHBondContact O-N 3.44Å; N1846-L1849 PolarHBondContact O-N 3.02Å; A1847-L1849 VanDerWaalsContact C-N 3.27Å; A1847-L1849 PolarHBondContact O-N 2.78Å; L1849-L1852 PolarHBondContact O-N 3.31Å; L1849-D1853 PolarHBondContact O-N 2.88Å |
| 1850 | A | 72.5 | Confident | 78.5 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1846 A1847 D1853 A1854 | N1846-A1850 WeakPolarHBondContact O-CB 3.25Å; N1846-A1850 PolarHBondContact O-N 3.47Å; A1847-A1850 PolarHBondContact O-N 2.79Å; A1850-D1853 PolarHBondContact O-N 3.16Å; A1850-A1854 WeakPolarHBondContact O-CB 3.27Å; A1850-A1854 PolarHBondContact O-N 3.43Å |
| 1851 | E | 80.7 | Confident | 77.9 | Confident | 105 Ų | 105 | 54.2 Ų | 54.2 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 172.3 | -72 | -168.7 | 154.9 | 0 | 0 | 111.4 | W1804 A1847 A1854 L1855 | W1804-E1851 HydrophobicContact CE3-CB 4.28Å; W1804-E1851 HydrophobicContact CZ3-CB 4.25Å; A1847-E1851 PolarHBondContact O-N 2.88Å; E1851-A1854 PolarHBondContact O-N 3.23Å; E1851-L1855 WeakPolarHBondContact O-CB 3.42Å; E1851-L1855 PolarHBondContact O-N 2.72Å |
| 1852 | L | 84.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.8 | -39 | 178.7 | -70.7 | 170.6 | 0 | 0 | 0 | 112.5 | I1789 L1795 W1804 M1805 T1848 L1849 L1855 R1856 Y1877 | I1789-L1852 HydrophobicContact CD1-CD1 3.82Å; L1795-L1852 HydrophobicContact CD1-CD2 4.37Å; L1795-L1852 HydrophobicContact CD2-CD2 4.06Å; W1804-L1852 HydrophobicContact CB-CD2 4Å; W1804-L1852 HydrophobicContact CG-CD2 4.47Å; M1805-L1852 HydrophobicContact SD-CD1 3.9Å; T1848-L1852 HydrophobicContact CG2-CD1 4.11Å; T1848-L1852 WeakPolarHBondContact O-CB 3.14Å; T1848-L1852 WeakPolarHBondContact O-CD1 3.3Å; T1848-L1852 WeakPolarHBondContact O-CG 3.19Å; T1848-L1852 PolarHBondContact O-N 3.38Å; T1848-L1852 VanDerWaalsContact O-N 3.15Å; L1849-L1852 PolarHBondContact O-N 3.31Å; L1852-L1855 PolarHBondContact O-N 3.48Å; L1852-R1856 VanDerWaalsContact O-CB 3.23Å; L1852-R1856 WeakPolarHBondContact O-CB 3.39Å; L1852-R1856 WeakPolarHBondContact O-CG 3.38Å; L1852-R1856 PolarHBondContact O-N 2.82Å; L1852-Y1877 VanDerWaalsContact C-OH 3.3Å; L1852-Y1877 HydrophobicContact CB-CE2 3.92Å; L1852-Y1877 WeakPolarHBondContact CB-OH 3.35Å |
| 1853 | D | 82 | Confident | 77.4 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 24% | 0.241 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 173.8 | -86.4 | -17 | 0 | 0 | 0 | 110.3 | L1849 A1850 L1855 R1856 T1857 R1864 Y1877 | L1849-D1853 PolarHBondContact O-N 2.88Å; A1850-D1853 PolarHBondContact O-N 3.16Å; D1853-L1855 VanDerWaalsContact C-N 3.26Å; D1853-L1855 PolarHBondContact O-N 2.84Å; D1853-R1856 PolarHBondContact O-N 2.79Å; D1853-T1857 WeakPolarHBondContact O-CB 3.49Å; D1853-T1857 PolarHBondContact O-N 3.11Å; D1853-T1857 PolarHBondContact O-OG1 2.91Å; D1853-R1864 IonicContact OD1-CZ 2.65Å; D1853-R1864 IonicContact OD1-NH1 3.51Å; D1853-R1864 PolarHBondContact OD1-NH1 3.26Å; D1853-R1864 IonicContact OD2-CZ 3.47Å; D1853-R1864 IonicContact OD2-NH1 2.71Å; D1853-R1864 PolarHBondContact OD2-NH1 3.02Å; D1853-Y1877 PolarHBondContact N-OH 3.2Å; D1853-Y1877 PolarHBondContact OD1-OH 3.24Å; D1853-Y1877 VanDerWaalsContact OD1-OH 3.05Å |
| 1854 | A | 75.4 | Confident | 77.5 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 50% | 0.496 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.1 | -31.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1850 E1851 R1858 | A1850-A1854 WeakPolarHBondContact O-CB 3.27Å; A1850-A1854 PolarHBondContact O-N 3.43Å; E1851-A1854 PolarHBondContact O-N 3.23Å; A1854-R1858 WeakPolarHBondContact O-CB 3.26Å |
| 1855 | L | 73.5 | Confident | 77.6 | Confident | 66 Ų | 66 | 58.3 Ų | 58.3 | 35% | 0.346 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -80.5 | -26.3 | 176.6 | -152.9 | 95.6 | 0 | 0 | 0 | 113.6 | W1804 E1851 L1852 D1853 | W1804-L1855 HydrophobicContact CH2-CD1 4.09Å; W1804-L1855 HydrophobicContact CZ2-CD1 3.65Å; E1851-L1855 WeakPolarHBondContact O-CB 3.42Å; E1851-L1855 PolarHBondContact O-N 2.72Å; L1852-L1855 PolarHBondContact O-N 3.48Å; D1853-L1855 VanDerWaalsContact C-N 3.26Å; D1853-L1855 PolarHBondContact O-N 2.84Å |
| 1856 | R | 72.5 | Confident | 78.3 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -110.8 | -40.5 | -169.1 | -63.1 | -69.3 | 169.2 | -148.7 | -6.6 | 114.8 | L1852 D1853 Y1877 | L1852-R1856 VanDerWaalsContact O-CB 3.23Å; L1852-R1856 WeakPolarHBondContact O-CB 3.39Å; L1852-R1856 WeakPolarHBondContact O-CG 3.38Å; L1852-R1856 PolarHBondContact O-N 2.82Å; D1853-R1856 PolarHBondContact O-N 2.79Å; R1856-Y1877 HydrophobicContact CB-CD1 3.81Å; R1856-Y1877 HydrophobicContact CB-CD2 4.39Å; R1856-Y1877 HydrophobicContact CB-CE1 3.87Å; R1856-Y1877 HydrophobicContact CB-CE2 4.42Å; R1856-Y1877 HydrophobicContact CB-CG 4.1Å; R1856-Y1877 HydrophobicContact CG-CD1 4.22Å; R1856-Y1877 HydrophobicContact CG-CD2 3.88Å; R1856-Y1877 HydrophobicContact CG-CE1 4.28Å; R1856-Y1877 HydrophobicContact CG-CE2 3.92Å; R1856-Y1877 HydrophobicContact CG-CG 4.05Å |
| 1857 | T | 70.3 | Confident | 79.3 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -22.3 | -170.4 | 68.5 | 0 | 0 | 0 | 0 | 112.9 | D1853 G1859 G1860 Y1877 | D1853-T1857 WeakPolarHBondContact O-CB 3.49Å; D1853-T1857 PolarHBondContact O-N 3.11Å; D1853-T1857 PolarHBondContact O-OG1 2.91Å; T1857-G1859 PolarHBondContact O-N 2.99Å; T1857-G1860 PolarHBondContact O-N 2.83Å; T1857-Y1877 HydrophobicContact CG2-CE1 4.1Å |
| 1858 | R | 68.8 | Low | 80.2 | Confident | 228 Ų | 228 | 59.6 Ų | 59.6 | 86% | 0.86 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.5 | -173 | -166.8 | 176.7 | -174.6 | -174.6 | 3.5 | 115.1 | A1854 | A1854-R1858 WeakPolarHBondContact O-CB 3.26Š|
| 1859 | G | 70 | Confident | 80.7 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1857 E1861 R1881 | T1857-G1859 PolarHBondContact O-N 2.99Å; G1859-E1861 PolarHBondContact O-N 2.87Å; G1859-R1881 PolarHBondContact O-NH2 3.35Å |
| 1860 | G | 77.3 | Confident | 80.7 | Confident | 52 Ų | 52 | 64.6 Ų | 64.6 | 54% | 0.536 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 65.4 | 11.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1857 | T1857-G1860 PolarHBondContact O-N 2.83Š|
| 1861 | E | 82.1 | Confident | 81.2 | Confident | 67 Ų | 67 | 66 Ų | 66 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -81.5 | -32.3 | -173.5 | -77.9 | 147.7 | -177.3 | 0 | 0 | 112.7 | G1859 Y1879 Q1880 R1881 | G1859-E1861 PolarHBondContact O-N 2.87Å; E1861-Y1879 HydrophobicContact CB-CD2 4.45Å; E1861-Y1879 HydrophobicContact CB-CE2 4.03Å; E1861-Y1879 HydrophobicContact CG-CE2 4.47Å; E1861-Y1879 CarbonylContact O-C 3.33Å; E1861-Y1879 WeakPolarHBondContact O-CA 3.36Å; E1861-Y1879 WeakPolarHBondContact O-CD2 3.47Å; E1861-Q1880 PolarHBondContact O-N 3.24Å; E1861-R1881 VanDerWaalsContact CG-NH2 3.27Å; E1861-R1881 IonicContact OE1-CZ 2.83Å; E1861-R1881 IonicContact OE1-NH1 2.65Å; E1861-R1881 PolarHBondContact OE1-NH1 2.81Å; E1861-R1881 IonicContact OE1-NH2 2.76Å; E1861-R1881 PolarHBondContact OE1-NH2 2.93Å |
| 1862 | Y | 90.7 | Very high | 81.2 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 8% | 0.075 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.4 | 174.3 | -60.5 | -99.6 | 0 | 0 | 0 | 110.1 | Y1827 P1828 V1878 Y1879 | Y1827-Y1862 PolarHBondContact O-OH 3.24Å; P1828-Y1862 PolarHBondContact O-OH 3.28Å; Y1862-V1878 WeakPolarHBondContact CA-O 3.44Å; Y1862-Y1879 HydrophobicContact CD1-CD2 4.2Å; Y1862-Y1879 HydrophobicContact CD2-CD2 4.29Å; Y1862-Y1879 AromaticContact CE1-CD2 3.94Å; Y1862-Y1879 HydrophobicContact CE1-CD2 3.94Å; Y1862-Y1879 HydrophobicContact CE1-CG 4.5Å; Y1862-Y1879 HydrophobicContact CE2-CD2 4.01Å; Y1862-Y1879 HydrophobicContact CE2-CE2 4.43Å; Y1862-Y1879 HydrophobicContact CG-CD2 4.38Å; Y1862-Y1879 AromaticContact CZ-CD2 3.84Å |
| 1863 | A | 85 | Confident | 81.1 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 35% | 0.347 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 149.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y1877 V1878 Q1880 | A1863-Y1877 WeakPolarHBondContact O-CA 3.45Å; A1863-V1878 PolarHBondContact N-O 2.89Å; A1863-V1878 PolarHBondContact O-N 2.63Å; A1863-Q1880 HydrophobicContact CB-CG 3.78Å |
| 1864 | R | 87.9 | Confident | 81.5 | Confident | 70 Ų | 70 | 62.3 Ų | 62.3 | 26% | 0.264 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 119.1 | 178.8 | -158.6 | -176.6 | 68.5 | -151.2 | 2.1 | 110.4 | D1853 W1875 M1876 Y1877 | D1853-R1864 IonicContact OD1-CZ 2.65Å; D1853-R1864 IonicContact OD1-NH1 3.51Å; D1853-R1864 PolarHBondContact OD1-NH1 3.26Å; D1853-R1864 IonicContact OD2-CZ 3.47Å; D1853-R1864 IonicContact OD2-NH1 2.71Å; D1853-R1864 PolarHBondContact OD2-NH1 3.02Å; R1864-W1875 HydrophobicContact CB-CE3 4.41Å; R1864-W1875 HydrophobicContact CG-CB 3.86Å; R1864-W1875 HydrophobicContact CG-CD2 4.03Å; R1864-W1875 HydrophobicContact CG-CE3 3.7Å; R1864-W1875 HydrophobicContact CG-CG 4.13Å; R1864-W1875 HydrophobicContact CG-CZ3 4.47Å; R1864-W1875 VanDerWaalsContact NE-CE3 3.34Å; R1864-M1876 WeakPolarHBondContact CA-O 3.47Å; R1864-Y1877 HydrophobicContact CB-CD1 4.01Å; R1864-Y1877 HydrophobicContact CB-CE1 3.86Å; R1864-Y1877 HydrophobicContact CG-CD1 4Å; R1864-Y1877 HydrophobicContact CG-CE1 3.72Å |
| 1865 | Q | 86.6 | Confident | 82.2 | Confident | 92 Ų | 92 | 62.7 Ų | 62.7 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 145.7 | -178.7 | -176.6 | 170.5 | -15.2 | 0 | 0 | 110.6 | W1875 M1876 V1878 | Q1865-W1875 CarbonylContact O-C 3.43Å; Q1865-W1875 WeakPolarHBondContact O-CA 3.39Å; Q1865-M1876 PolarHBondContact N-O 3Å; Q1865-M1876 PolarHBondContact O-N 2.88Å; Q1865-V1878 HydrophobicContact CB-CG2 4.05Å |
| 1866 | L | 87.2 | Confident | 83.1 | Confident | 89 Ų | 89 | 59.5 Ų | 59.5 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127 | 174.3 | -155.1 | 78.8 | 0 | 0 | 0 | 109.7 | W1875 | L1866-W1875 HydrophobicContact CB-CE3 4.22Å; L1866-W1875 HydrophobicContact CB-CZ3 4.13Å; L1866-W1875 HydrophobicContact CD1-CD2 3.71Å; L1866-W1875 HydrophobicContact CD1-CE3 3.82Å; L1866-W1875 HydrophobicContact CD1-CG 4.27Å; L1866-W1875 HydrophobicContact CD1-CH2 4.29Å; L1866-W1875 HydrophobicContact CD1-CZ2 4.17Å; L1866-W1875 HydrophobicContact CD1-CZ3 4.12Å |
| 1867 | I | 89.1 | Confident | 84.1 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 163.3 | 176.3 | 62.7 | 155.4 | 0 | 0 | 0 | 110.3 | F1790 F1814 I1816 T1869 S1873 A1874 M1876 | F1790-I1867 HydrophobicContact CB-CD1 3.64Å; F1790-I1867 HydrophobicContact CD1-CD1 3.89Å; F1790-I1867 HydrophobicContact CG-CD1 3.85Å; F1814-I1867 HydrophobicContact CE1-CD1 4.34Å; I1816-I1867 HydrophobicContact CD1-CB 3.82Å; I1816-I1867 HydrophobicContact CD1-CD1 3.68Å; I1816-I1867 HydrophobicContact CD1-CG1 4.38Å; I1816-I1867 HydrophobicContact CD1-CG2 3.65Å; I1867-T1869 HydrophobicContact CD1-CG2 3.96Å; I1867-T1869 HydrophobicContact CG1-CG2 4.27Å; I1867-S1873 VanDerWaalsContact O-CA 3.32Å; I1867-S1873 WeakPolarHBondContact O-CA 3.26Å; I1867-A1874 HydrophobicContact CG1-CB 4.47Å; I1867-A1874 VanDerWaalsContact CG1-O 3.27Å; I1867-A1874 WeakPolarHBondContact CG1-O 3.34Å; I1867-A1874 PolarHBondContact N-O 2.68Å; I1867-A1874 PolarHBondContact O-N 2.79Å; I1867-M1876 HydrophobicContact CD1-CB 4.09Å; I1867-M1876 HydrophobicContact CD1-SD 4.16Å; I1867-M1876 HydrophobicContact CG1-CB 4.05Å; I1867-M1876 HydrophobicContact CG2-CB 3.96Å; I1867-M1876 HydrophobicContact CG2-SD 4.07Å |
| 1868 | Q | 87.2 | Confident | 85.1 | Confident | 129 Ų | 129 | 56.7 Ų | 56.7 | 60% | 0.603 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 139.8 | 172.2 | -60 | -58.4 | -16.2 | 0 | 0 | 110.9 | S1873 | Q1868-S1873 VanDerWaalsContact CD-OG 3.24Å; Q1868-S1873 PolarHBondContact NE2-OG 3.34Å; Q1868-S1873 PolarHBondContact OE1-OG 2.83Å |
| 1869 | T | 90 | Very high | 86.3 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 163.6 | 178.3 | 82.7 | 0 | 0 | 0 | 0 | 109.2 | F1814 V1841 I1867 Y1871 G1872 A1874 | F1814-T1869 HydrophobicContact CD1-CG2 3.75Å; F1814-T1869 HydrophobicContact CE1-CG2 3.74Å; V1841-T1869 HydrophobicContact CG2-CG2 3.81Å; I1867-T1869 HydrophobicContact CD1-CG2 3.96Å; I1867-T1869 HydrophobicContact CG1-CG2 4.27Å; T1869-Y1871 PolarHBondContact O-N 3.4Å; T1869-Y1871 PolarHBondContact OG1-N 2.81Å; T1869-G1872 WeakPolarHBondContact CB-O 3.43Å; T1869-G1872 PolarHBondContact N-O 2.62Å; T1869-G1872 VanDerWaalsContact N-O 3.14Å; T1869-G1872 PolarHBondContact O-N 2.88Å; T1869-G1872 PolarHBondContact OG1-O 3.23Å; T1869-A1874 HydrophobicContact CG2-CB 3.78Å |
| 1870 | P | 82.5 | Confident | 87.2 | Confident | 104 Ų | 104 | 50.5 Ų | 50.5 | 68% | 0.675 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.5 | 174.5 | -26.2 | 35.3 | 0 | 0 | 0 | 113.9 | F1814 G1872 | F1814-P1870 HydrophobicContact CD2-CG 3.97Å; F1814-P1870 VanDerWaalsContact CE2-CD 3.42Å; F1814-P1870 HydrophobicContact CE2-CG 4.07Å; P1870-G1872 VanDerWaalsContact C-N 3.32Å |
| 1871 | Y | 83.5 | Confident | 87.6 | Confident | 85 Ų | 85 | 53.5 Ų | 53.5 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -2.5 | 179.3 | -52 | -76.6 | 0 | 0 | 0 | 113.3 | R1788 L1811 G1812 V1841 T1869 | R1788-Y1871 PolarHBondContact NE-O 2.8Å; R1788-Y1871 PolarHBondContact NH2-O 2.83Å; L1811-Y1871 HydrophobicContact CB-CD1 3.67Å; L1811-Y1871 HydrophobicContact CB-CD2 4.26Å; L1811-Y1871 HydrophobicContact CB-CE1 3.86Å; L1811-Y1871 HydrophobicContact CB-CE2 4.45Å; L1811-Y1871 HydrophobicContact CB-CG 3.87Å; L1811-Y1871 HydrophobicContact CD1-CD1 4.32Å; L1811-Y1871 HydrophobicContact CD1-CG 4.09Å; L1811-Y1871 WeakPolarHBondContact O-CE1 3.45Å; L1811-Y1871 PolarHBondContact O-OH 2.73Å; G1812-Y1871 WeakPolarHBondContact CA-OH 3.39Å; V1841-Y1871 HydrophobicContact CB-CD2 3.7Å; V1841-Y1871 HydrophobicContact CB-CE2 4.15Å; V1841-Y1871 HydrophobicContact CG1-CD2 4.02Å; V1841-Y1871 HydrophobicContact CG1-CG 4.47Å; V1841-Y1871 HydrophobicContact CG2-CD2 3.87Å; V1841-Y1871 HydrophobicContact CG2-CE2 4.25Å; T1869-Y1871 PolarHBondContact O-N 3.4Å; T1869-Y1871 PolarHBondContact OG1-N 2.81Å |
| 1872 | G | 79.5 | Confident | 87.8 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 109 | -174.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1869 P1870 | T1869-G1872 WeakPolarHBondContact CB-O 3.43Å; T1869-G1872 PolarHBondContact N-O 2.62Å; T1869-G1872 VanDerWaalsContact N-O 3.14Å; T1869-G1872 PolarHBondContact O-N 2.88Å; T1869-G1872 PolarHBondContact OG1-O 3.23Å; P1870-G1872 VanDerWaalsContact C-N 3.32Å |
| 1873 | S | 83.3 | Confident | 87.5 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 139.1 | 177.9 | -44.9 | 0 | 0 | 0 | 0 | 111.4 | I1867 Q1868 | I1867-S1873 VanDerWaalsContact O-CA 3.32Å; I1867-S1873 WeakPolarHBondContact O-CA 3.26Å; Q1868-S1873 VanDerWaalsContact CD-OG 3.24Å; Q1868-S1873 PolarHBondContact NE2-OG 3.34Å; Q1868-S1873 PolarHBondContact OE1-OG 2.83Å |
| 1874 | A | 88.9 | Confident | 87.4 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R1788 V1841 I1867 T1869 | R1788-A1874 HydrophobicContact CB-CB 3.78Å; R1788-A1874 WeakPolarHBondContact O-CA 3.24Å; V1841-A1874 HydrophobicContact CG1-CB 4.24Å; I1867-A1874 HydrophobicContact CG1-CB 4.47Å; I1867-A1874 VanDerWaalsContact CG1-O 3.27Å; I1867-A1874 WeakPolarHBondContact CG1-O 3.34Å; I1867-A1874 PolarHBondContact N-O 2.68Å; I1867-A1874 PolarHBondContact O-N 2.79Å; T1869-A1874 HydrophobicContact CG2-CB 3.78Å |
| 1875 | W | 91.2 | Very high | 87.1 | Confident | 68 Ų | 68 | 62 Ų | 62 | 26% | 0.258 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 147.6 | 170.1 | -69.1 | 115.4 | 0 | 0 | 0 | 111.4 | R1788 I1789 F1790 R1864 Q1865 L1866 | R1788-W1875 PolarHBondContact O-N 3.05Å; I1789-W1875 CarbonylContact C-O 3.38Å; I1789-W1875 WeakPolarHBondContact CA-O 3.15Å; I1789-W1875 HydrophobicContact CG1-CB 4.23Å; I1789-W1875 VanDerWaalsContact CG1-O 3.31Å; I1789-W1875 WeakPolarHBondContact CG1-O 3.25Å; F1790-W1875 PolarHBondContact N-O 3.07Å; R1864-W1875 HydrophobicContact CB-CE3 4.41Å; R1864-W1875 HydrophobicContact CG-CB 3.86Å; R1864-W1875 HydrophobicContact CG-CD2 4.03Å; R1864-W1875 HydrophobicContact CG-CE3 3.7Å; R1864-W1875 HydrophobicContact CG-CG 4.13Å; R1864-W1875 HydrophobicContact CG-CZ3 4.47Å; R1864-W1875 VanDerWaalsContact NE-CE3 3.34Å; Q1865-W1875 CarbonylContact O-C 3.43Å; Q1865-W1875 WeakPolarHBondContact O-CA 3.39Å; L1866-W1875 HydrophobicContact CB-CE3 4.22Å; L1866-W1875 HydrophobicContact CB-CZ3 4.13Å; L1866-W1875 HydrophobicContact CD1-CD2 3.71Å; L1866-W1875 HydrophobicContact CD1-CE3 3.82Å; L1866-W1875 HydrophobicContact CD1-CG 4.27Å; L1866-W1875 HydrophobicContact CD1-CH2 4.29Å; L1866-W1875 HydrophobicContact CD1-CZ2 4.17Å; L1866-W1875 HydrophobicContact CD1-CZ3 4.12Å |
| 1876 | M | 92.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 136.2 | 171.9 | 175 | 175.4 | 175.5 | 0 | 0 | 108.8 | F1790 Y1792 I1816 Y1819 A1830 R1864 Q1865 I1867 V1878 | F1790-M1876 HydrophobicContact CD1-CB 4.34Å; F1790-M1876 HydrophobicContact CD1-CE 4.42Å; F1790-M1876 HydrophobicContact CD1-CG 3.95Å; F1790-M1876 HydrophobicContact CD1-SD 3.75Å; F1790-M1876 HydrophobicContact CE1-CE 4.18Å; F1790-M1876 HydrophobicContact CE1-SD 4.01Å; Y1792-M1876 HydrophobicContact CD1-CE 4.09Å; Y1792-M1876 HydrophobicContact CE1-CE 3.85Å; Y1792-M1876 HydrophobicContact CE1-CG 4.19Å; I1816-M1876 HydrophobicContact CD1-SD 4.18Å; I1816-M1876 HydrophobicContact CG2-CE 4.18Å; I1816-M1876 HydrophobicContact CG2-SD 4.11Å; Y1819-M1876 HydrophobicContact CD1-CE 3.74Å; Y1819-M1876 HydrophobicContact CD2-CE 4.45Å; Y1819-M1876 HydrophobicContact CE1-CE 4.03Å; Y1819-M1876 HydrophobicContact CE1-SD 4.41Å; Y1819-M1876 HydrophobicContact CG-CE 3.97Å; A1830-M1876 HydrophobicContact CB-CE 3.5Å; A1830-M1876 VanDerWaalsContact CB-CE 3.5Å; R1864-M1876 WeakPolarHBondContact CA-O 3.47Å; Q1865-M1876 PolarHBondContact N-O 3Å; Q1865-M1876 PolarHBondContact O-N 2.88Å; I1867-M1876 HydrophobicContact CD1-CB 4.09Å; I1867-M1876 HydrophobicContact CD1-SD 4.16Å; I1867-M1876 HydrophobicContact CG1-CB 4.05Å; I1867-M1876 HydrophobicContact CG2-CB 3.96Å; I1867-M1876 HydrophobicContact CG2-SD 4.07Å; M1876-V1878 HydrophobicContact CG-CG2 4.19Å; M1876-V1878 HydrophobicContact SD-CG2 4.49Å |
| 1877 | Y | 92.5 | Very high | 87.1 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 3% | 0.027 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 115.8 | 170.5 | -67.4 | -66.3 | 0 | 0 | 0 | 109.7 | I1789 Y1792 L1852 D1853 R1856 T1857 A1863 R1864 | I1789-Y1877 HydrophobicContact CD1-CD2 4.21Å; I1789-Y1877 HydrophobicContact CD1-CE2 3.6Å; Y1792-Y1877 WeakPolarHBondContact CE1-O 3.36Å; Y1792-Y1877 PolarHBondContact OH-O 3.45Å; L1852-Y1877 VanDerWaalsContact C-OH 3.3Å; L1852-Y1877 HydrophobicContact CB-CE2 3.92Å; L1852-Y1877 WeakPolarHBondContact CB-OH 3.35Å; D1853-Y1877 PolarHBondContact N-OH 3.2Å; D1853-Y1877 PolarHBondContact OD1-OH 3.24Å; D1853-Y1877 VanDerWaalsContact OD1-OH 3.05Å; R1856-Y1877 HydrophobicContact CB-CD1 3.81Å; R1856-Y1877 HydrophobicContact CB-CD2 4.39Å; R1856-Y1877 HydrophobicContact CB-CE1 3.87Å; R1856-Y1877 HydrophobicContact CB-CE2 4.42Å; R1856-Y1877 HydrophobicContact CB-CG 4.1Å; R1856-Y1877 HydrophobicContact CG-CD1 4.22Å; R1856-Y1877 HydrophobicContact CG-CD2 3.88Å; R1856-Y1877 HydrophobicContact CG-CE1 4.28Å; R1856-Y1877 HydrophobicContact CG-CE2 3.92Å; R1856-Y1877 HydrophobicContact CG-CG 4.05Å; T1857-Y1877 HydrophobicContact CG2-CE1 4.1Å; A1863-Y1877 WeakPolarHBondContact O-CA 3.45Å; R1864-Y1877 HydrophobicContact CB-CD1 4.01Å; R1864-Y1877 HydrophobicContact CB-CE1 3.86Å; R1864-Y1877 HydrophobicContact CG-CD1 4Å; R1864-Y1877 HydrophobicContact CG-CE1 3.72Å |
| 1878 | V | 92.4 | Very high | 87.1 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.2 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | Y1819 P1832 Y1862 A1863 Q1865 M1876 Q1880 | Y1819-V1878 HydrophobicContact CE1-CG1 3.98Å; Y1819-V1878 HydrophobicContact CE1-CG2 3.78Å; P1832-V1878 HydrophobicContact CG-CG1 4.31Å; Y1862-V1878 WeakPolarHBondContact CA-O 3.44Å; A1863-V1878 PolarHBondContact N-O 2.89Å; A1863-V1878 PolarHBondContact O-N 2.63Å; Q1865-V1878 HydrophobicContact CB-CG2 4.05Å; M1876-V1878 HydrophobicContact CG-CG2 4.19Å; M1876-V1878 HydrophobicContact SD-CG2 4.49Å; V1878-Q1880 PolarHBondContact O-NE2 3.46Å |
| 1879 | Y | 92.5 | Very high | 87.3 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 12% | 0.118 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 142.8 | -178.8 | -171.9 | -107 | 0 | 0 | 0 | 111.1 | L1824 A1830 V1831 E1861 Y1862 R1881 V1883 | L1824-Y1879 HydrophobicContact CD1-CD1 4.28Å; L1824-Y1879 HydrophobicContact CD1-CD2 3.67Å; L1824-Y1879 HydrophobicContact CD1-CE1 3.98Å; L1824-Y1879 HydrophobicContact CD1-CE2 3.32Å; L1824-Y1879 HydrophobicContact CD1-CG 4.13Å; L1824-Y1879 VanDerWaalsContact CD1-CZ 3.48Å; L1824-Y1879 HydrophobicContact CD2-CE1 4.39Å; A1830-Y1879 PolarHBondContact O-N 2.88Å; V1831-Y1879 HydrophobicContact CG1-CD1 4.05Å; V1831-Y1879 HydrophobicContact CG1-CG 4.5Å; E1861-Y1879 HydrophobicContact CB-CD2 4.45Å; E1861-Y1879 HydrophobicContact CB-CE2 4.03Å; E1861-Y1879 HydrophobicContact CG-CE2 4.47Å; E1861-Y1879 CarbonylContact O-C 3.33Å; E1861-Y1879 WeakPolarHBondContact O-CA 3.36Å; E1861-Y1879 WeakPolarHBondContact O-CD2 3.47Å; Y1862-Y1879 HydrophobicContact CD1-CD2 4.2Å; Y1862-Y1879 HydrophobicContact CD2-CD2 4.29Å; Y1862-Y1879 AromaticContact CE1-CD2 3.94Å; Y1862-Y1879 HydrophobicContact CE1-CD2 3.94Å; Y1862-Y1879 HydrophobicContact CE1-CG 4.5Å; Y1862-Y1879 HydrophobicContact CE2-CD2 4.01Å; Y1862-Y1879 HydrophobicContact CE2-CE2 4.43Å; Y1862-Y1879 HydrophobicContact CG-CD2 4.38Å; Y1862-Y1879 AromaticContact CZ-CD2 3.84Å; Y1879-R1881 HydrophobicContact CE1-CB 3.76Å; Y1879-R1881 WeakPolarHBondContact CE1-O 3.39Å; Y1879-V1883 HydrophobicContact CD1-CG1 4.35Å |
| 1880 | Q | 89.8 | Confident | 87 | Confident | 107 Ų | 107 | 65.7 Ų | 65.7 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | trans | -117.1 | -11.2 | -165.8 | -60.6 | -59.9 | -59.4 | 0 | 0 | 114.9 | E1861 A1863 V1878 | E1861-Q1880 PolarHBondContact O-N 3.24Å; A1863-Q1880 HydrophobicContact CB-CG 3.78Å; V1878-Q1880 PolarHBondContact O-NE2 3.46Å | ||
| 1881 | R | 85.7 | Confident | 87.4 | Confident | 115 Ų | 115 | 63 Ų | 63 | 43% | 0.434 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -92.1 | 155.9 | 179.1 | -64.2 | -171 | -178.1 | 152 | 8.7 | 111.4 | G1859 E1861 Y1879 | G1859-R1881 PolarHBondContact O-NH2 3.35Å; E1861-R1881 VanDerWaalsContact CG-NH2 3.27Å; E1861-R1881 IonicContact OE1-CZ 2.83Å; E1861-R1881 IonicContact OE1-NH1 2.65Å; E1861-R1881 PolarHBondContact OE1-NH1 2.81Å; E1861-R1881 IonicContact OE1-NH2 2.76Å; E1861-R1881 PolarHBondContact OE1-NH2 2.93Å; Y1879-R1881 HydrophobicContact CE1-CB 3.76Å; Y1879-R1881 WeakPolarHBondContact CE1-O 3.39Å |
| 1882 | P | 85.5 | Confident | 87.6 | Confident | 104 Ų | 104 | 59.1 Ų | 59.1 | 68% | 0.675 | 33% | 0.327 | S | S | * | . | trans | -54.1 | 144.1 | 176.6 | -26.1 | 35.2 | 0 | 0 | 0 | 112.8 | ||||
| 1883 | V | 84.7 | Confident | 88.2 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | trans | -103.2 | 5.9 | -176.9 | -67.6 | 0 | 0 | 0 | 0 | 113.9 | Y1822 V1831 Y1879 G1885 L1886 | Y1822-V1883 HydrophobicContact CD1-CB 3.83Å; Y1822-V1883 HydrophobicContact CD1-CG1 4.29Å; Y1822-V1883 HydrophobicContact CD1-CG2 4.4Å; Y1822-V1883 HydrophobicContact CD2-CB 4.17Å; Y1822-V1883 HydrophobicContact CD2-CG1 3.94Å; Y1822-V1883 HydrophobicContact CD2-CG2 4.4Å; Y1822-V1883 HydrophobicContact CE1-CB 3.86Å; Y1822-V1883 HydrophobicContact CE1-CG2 3.94Å; Y1822-V1883 HydrophobicContact CE2-CB 4.22Å; Y1822-V1883 HydrophobicContact CE2-CG1 4.33Å; Y1822-V1883 HydrophobicContact CE2-CG2 3.96Å; Y1822-V1883 HydrophobicContact CG-CB 3.99Å; Y1822-V1883 HydrophobicContact CG-CG1 3.93Å; V1831-V1883 HydrophobicContact CG1-CG1 3.77Å; V1831-V1883 HydrophobicContact CG2-CG1 4.21Å; Y1879-V1883 HydrophobicContact CD1-CG1 4.35Å; V1883-G1885 PolarHBondContact O-N 2.99Å; V1883-L1886 WeakPolarHBondContact O-CB 3.5Å; V1883-L1886 PolarHBondContact O-N 3.03Å; V1883-L1886 VanDerWaalsContact O-N 3.13Å | ||
| 1884 | D | 82.2 | Confident | 88.4 | Confident | 150 Ų | 150 | 57.9 Ų | 57.9 | 80% | 0.802 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 121.3 | -179.4 | -62.3 | -72.5 | 0 | 0 | 0 | 112 | ||
| 1885 | G | 82.3 | Confident | 88.3 | Confident | 92 Ų | 92 | 61.5 Ų | 61.5 | 95% | 0.948 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -0.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | V1883 | V1883-G1885 PolarHBondContact O-N 2.99Š|
| 1886 | L | 86.2 | Confident | 87.9 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -91 | 147.2 | 177.3 | -70 | 158.4 | 0 | 0 | 0 | 111.9 | Y1822 L1824 V1883 L1888 | Y1822-L1886 HydrophobicContact CD1-CB 4.11Å; L1824-L1886 HydrophobicContact CD2-CD1 3.5Å; L1824-L1886 VanDerWaalsContact CD2-CD1 3.5Å; L1824-L1886 HydrophobicContact CD2-CD2 3.99Å; L1824-L1886 HydrophobicContact CD2-CG 4.21Å; V1883-L1886 WeakPolarHBondContact O-CB 3.5Å; V1883-L1886 PolarHBondContact O-N 3.03Å; V1883-L1886 VanDerWaalsContact O-N 3.13Å; L1886-L1888 PolarHBondContact O-N 2.73Å; L1886-L1888 VanDerWaalsContact O-N 3.14Å |
| 1887 | K | 87.4 | Confident | 87.4 | Confident | 112 Ų | 112 | 64.1 Ų | 64.1 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 112 | 179.2 | -171.3 | -164.2 | 173 | -172.2 | 0 | 109.6 | S1823 R1897 K1899 | S1823-K1887 PolarHBondContact N-O 2.81Å; K1887-R1897 PolarHBondContact NZ-O 3.39Å; K1887-K1899 PolarHBondContact NZ-OXT 3.41Å |
| 1888 | L | 89.9 | Confident | 86.6 | Confident | 52 Ų | 52 | 69.7 Ų | 69.7 | 27% | 0.272 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 134.3 | 162.7 | 176.6 | 63.9 | 0 | 0 | 0 | 110 | Q1820 Y1822 L1886 E1890 | Q1820-L1888 HydrophobicContact CB-CD1 3.87Å; Q1820-L1888 HydrophobicContact CG-CD1 4.29Å; Y1822-L1888 HydrophobicContact CD1-CB 4.25Å; Y1822-L1888 HydrophobicContact CD2-CD1 4.27Å; Y1822-L1888 HydrophobicContact CE1-CB 3.88Å; Y1822-L1888 HydrophobicContact CE1-CD1 4.26Å; Y1822-L1888 HydrophobicContact CE2-CD1 3.85Å; L1886-L1888 PolarHBondContact O-N 2.73Å; L1886-L1888 VanDerWaalsContact O-N 3.14Å; L1888-E1890 HydrophobicContact CD2-CG 4.19Å; L1888-E1890 HydrophobicContact CG-CG 4.31Å |
| 1889 | I | 90.7 | Very high | 85.2 | Confident | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.026 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 93.8 | 169.8 | -62.9 | 165.6 | 0 | 0 | 0 | 106.7 | L1821 S1891 G1892 W1894 R1897 | L1821-I1889 HydrophobicContact CB-CB 4.42Å; L1821-I1889 HydrophobicContact CD2-CD1 3.96Å; L1821-I1889 HydrophobicContact CG-CD1 4.12Å; L1821-I1889 WeakPolarHBondContact O-CB 3.4Å; L1821-I1889 PolarHBondContact O-N 2.76Å; I1889-S1891 WeakPolarHBondContact CG2-OG 3.38Å; I1889-S1891 PolarHBondContact O-N 2.84Å; I1889-G1892 PolarHBondContact O-N 3.06Å; I1889-W1894 HydrophobicContact CD1-CE3 3.63Å; I1889-W1894 HydrophobicContact CD1-CZ3 3.89Å; I1889-R1897 HydrophobicContact CD1-CB 3.71Å; I1889-R1897 HydrophobicContact CG1-CB 3.96Å; I1889-R1897 HydrophobicContact CG2-CB 4.18Å |
| 1890 | E | 84.7 | Confident | 84.8 | Confident | 179 Ų | 179 | 81.1 Ų | 81.1 | 84% | 0.836 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.3 | -172.4 | -65.4 | -165.8 | 171 | 0 | 0 | 113.7 | L1888 G1892 | L1888-E1890 HydrophobicContact CD2-CG 4.19Å; L1888-E1890 HydrophobicContact CG-CG 4.31Å; E1890-G1892 PolarHBondContact O-N 2.92Å |
| 1891 | S | 89 | Confident | 84.6 | Confident | 48 Ų | 48 | 79.7 Ų | 79.7 | 34% | 0.336 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.3 | 175.1 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | H1838 I1889 D1893 | H1838-S1891 PolarHBondContact CD2-O 2.75Å; I1889-S1891 WeakPolarHBondContact CG2-OG 3.38Å; I1889-S1891 PolarHBondContact O-N 2.84Å; S1891-D1893 PolarHBondContact O-N 3.21Å; S1891-D1893 PolarHBondContact OG-N 3.38Å; S1891-D1893 PolarHBondContact OG-O 3.17Å |
| 1892 | G | 89.7 | Confident | 84.5 | Confident | 3 Ų | 3 | 77.7 Ų | 77.7 | 3% | 0.031 | 42% | 0.422 | C | S | . | . | S | Bend | trans | 69.9 | -13.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T1836 H1838 I1889 E1890 | T1836-G1892 WeakPolarHBondContact O-CA 3.21Å; H1838-G1892 PolarHBondContact N-O 3.19Å; I1889-G1892 PolarHBondContact O-N 3.06Å; E1890-G1892 PolarHBondContact O-N 2.92Å |
| 1893 | D | 90.6 | Very high | 84.5 | Confident | 27 Ų | 27 | 76.2 Ų | 76.2 | 14% | 0.144 | 41% | 0.407 | C | S | . | . | trans | -105.5 | 123.7 | 178.3 | -160.2 | -24.2 | 0 | 0 | 0 | 111.7 | R1796 H1838 S1891 L1895 D1896 R1897 | R1796-D1893 IonicContact CZ-OD2 3.12Å; R1796-D1893 IonicContact NH1-OD1 3.51Å; R1796-D1893 PolarHBondContact NH1-OD1 2.78Å; R1796-D1893 IonicContact NH1-OD2 2.62Å; R1796-D1893 PolarHBondContact NH1-OD2 3.11Å; H1838-D1893 HydrophobicContact CB-CB 3.78Å; S1891-D1893 PolarHBondContact O-N 3.21Å; S1891-D1893 PolarHBondContact OG-N 3.38Å; S1891-D1893 PolarHBondContact OG-O 3.17Å; D1893-L1895 PolarHBondContact O-N 2.94Å; D1893-L1895 WeakPolarHBondContact OD1-CB 3.16Å; D1893-L1895 WeakPolarHBondContact OD1-CG 3.46Å; D1893-L1895 PolarHBondContact OD1-N 2.94Å; D1893-D1896 HydrophobicContact CB-CB 4.49Å; D1893-D1896 PolarHBondContact O-N 3.25Å; D1893-R1897 PolarHBondContact O-N 2.76Å | ||
| 1894 | W | 88.4 | Confident | 84.4 | Confident | 18 Ų | 18 | 79.1 Ų | 79.1 | 7% | 0.068 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -58.1 | -26.2 | 172.1 | 179.3 | -103 | 0 | 0 | 0 | 114.5 | G1793 L1821 G1825 P1828 I1889 D1896 R1897 | G1793-W1894 VanDerWaalsContact CA-CG 3.45Å; L1821-W1894 HydrophobicContact CD2-CB 4.1Å; G1825-W1894 WeakPolarHBondContact O-CH2 3.19Å; P1828-W1894 HydrophobicContact CB-CE3 3.75Å; P1828-W1894 HydrophobicContact CB-CZ3 3.8Å; P1828-W1894 HydrophobicContact CG-CD2 4.03Å; P1828-W1894 HydrophobicContact CG-CE3 3.55Å; P1828-W1894 HydrophobicContact CG-CZ3 3.9Å; I1889-W1894 HydrophobicContact CD1-CE3 3.63Å; I1889-W1894 HydrophobicContact CD1-CZ3 3.89Å; W1894-D1896 PolarHBondContact O-N 3.25Å; W1894-R1897 HydrophobicContact CE3-CB 4.39Å; W1894-R1897 WeakPolarHBondContact O-CD 3.35Å; W1894-R1897 WeakPolarHBondContact O-CG 3.09Å; W1894-R1897 PolarHBondContact O-NH1 2.98Å |
| 1895 | L | 85.3 | Confident | 84.6 | Confident | 78 Ų | 78 | 74.3 Ų | 74.3 | 41% | 0.408 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -66.5 | -28.4 | 174.3 | -60.4 | 178.2 | 0 | 0 | 0 | 111.9 | Q1799 D1893 | Q1799-L1895 HydrophobicContact CG-CD2 4.11Å; Q1799-L1895 VanDerWaalsContact NE2-CD2 3.26Å; D1893-L1895 PolarHBondContact O-N 2.94Å; D1893-L1895 WeakPolarHBondContact OD1-CB 3.16Å; D1893-L1895 WeakPolarHBondContact OD1-CG 3.46Å; D1893-L1895 PolarHBondContact OD1-N 2.94Å |
| 1896 | D | 84.7 | Confident | 84.7 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 32% | 0.316 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -103.3 | 4.4 | -176.4 | -97.4 | 6.4 | 0 | 0 | 0 | 113.8 | D1893 W1894 D1898 K1899 | D1893-D1896 HydrophobicContact CB-CB 4.49Å; D1893-D1896 PolarHBondContact O-N 3.25Å; W1894-D1896 PolarHBondContact O-N 3.25Å; D1896-D1898 PolarHBondContact O-N 2.69Å; D1896-K1899 HydrophobicContact CB-CD 4.14Å; D1896-K1899 WeakPolarHBondContact O-CB 3.24Å; D1896-K1899 PolarHBondContact O-N 2.73Å; D1896-K1899 VanDerWaalsContact OD1-CE 3.24Å; D1896-K1899 WeakPolarHBondContact OD1-CE 3.13Å; D1896-K1899 IonicContact OD1-NZ 2.73Å; D1896-K1899 PolarHBondContact OD1-NZ 3.27Å; D1896-K1899 IonicContact OD2-NZ 2.69Å; D1896-K1899 PolarHBondContact OD2-NZ 3.46Å |
| 1897 | R | 82.1 | Confident | 84.6 | Confident | 63 Ų | 63 | 73.7 Ų | 73.7 | 24% | 0.238 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -20.4 | -175.4 | 74.2 | -172.9 | 175.1 | -89.9 | -20.2 | 116.7 | K1887 I1889 D1893 W1894 | K1887-R1897 PolarHBondContact NZ-O 3.39Å; I1889-R1897 HydrophobicContact CD1-CB 3.71Å; I1889-R1897 HydrophobicContact CG1-CB 3.96Å; I1889-R1897 HydrophobicContact CG2-CB 4.18Å; D1893-R1897 PolarHBondContact O-N 2.76Å; W1894-R1897 HydrophobicContact CE3-CB 4.39Å; W1894-R1897 WeakPolarHBondContact O-CD 3.35Å; W1894-R1897 WeakPolarHBondContact O-CG 3.09Å; W1894-R1897 PolarHBondContact O-NH1 2.98Å |
| 1898 | D | 74.8 | Confident | 84.4 | Confident | 124 Ų | 124 | 70.5 Ų | 70.5 | 66% | 0.663 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 1 | -176.4 | -61 | -43.7 | 0 | 0 | 0 | 112.1 | D1896 | D1896-D1898 PolarHBondContact O-N 2.69Š|
| 1899 | K | 63.1 | Low | 83.9 | Confident | 190 Ų | 190 | 72.2 Ų | 72.2 | 83% | 0.826 | 35% | 0.354 | S | S | * | . | trans | -79.9 | 0 | 157.8 | -60.7 | 172 | -179.3 | 166 | 0 | 110.8 | K1887 D1896 | K1887-K1899 PolarHBondContact NZ-OXT 3.41Å; D1896-K1899 HydrophobicContact CB-CD 4.14Å; D1896-K1899 WeakPolarHBondContact O-CB 3.24Å; D1896-K1899 PolarHBondContact O-N 2.73Å; D1896-K1899 VanDerWaalsContact OD1-CE 3.24Å; D1896-K1899 WeakPolarHBondContact OD1-CE 3.13Å; D1896-K1899 IonicContact OD1-NZ 2.73Å; D1896-K1899 PolarHBondContact OD1-NZ 3.27Å; D1896-K1899 IonicContact OD2-NZ 2.69Å; D1896-K1899 PolarHBondContact OD2-NZ 3.46Å |
Retrieved 1,899 of 1,899 residues in 1815.7 ms
(Link to these results)