| 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 | 36.6 | Very low | 39.7 | Very low | 248 Ų | 248 | 156.9 Ų | 156.9 | 100% | 1.222 | 84% | 0.842 | S | S | * | * | 0 | 125.7 | 0 | -94.2 | 162.4 | 166.8 | 0 | 0 | 107.4 | |||||
| 2 | T | 34.4 | Very low | 40.2 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | trans | -64.7 | 130.4 | -158.3 | -49.3 | 0 | 0 | 0 | 0 | 113.2 | Q4 | T2-Q4 PolarHBondContact O-N 3.21Š| ||
| 3 | S | 38.4 | Very low | 40.9 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -69.9 | 113.9 | 162.7 | 40.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 4 | Q | 37.7 | Very low | 42.2 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 117.1 | 170 | -93.3 | 168.7 | -41.9 | 0 | 0 | 109.7 | T2 | T2-Q4 PolarHBondContact O-N 3.21Š|
| 5 | L | 33.4 | Very low | 43.8 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 145.3 | 163.4 | -140.1 | 92.1 | 0 | 0 | 0 | 108.4 | ||
| 6 | P | 46 | Very low | 45.8 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 126.9 | 168.6 | -4.6 | 22.3 | 0 | 0 | 0 | 109.4 | E8 | P6-E8 PolarHBondContact O-N 3.33Å; P6-E8 VanDerWaalsContact O-N 3.08Å |
| 7 | E | 40.2 | Very low | 48.1 | Very low | 201 Ų | 201 | 133.4 Ų | 133.4 | 94% | 0.939 | 72% | 0.718 | S | S | * | * | trans | -71.2 | 93.8 | 166.2 | -64.6 | -167.8 | 122.6 | 0 | 0 | 108.7 | ||||
| 8 | E | 38.3 | Very low | 50.4 | Low | 181 Ų | 181 | 127.8 Ų | 127.8 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | trans | -71.7 | 125.4 | 166.5 | -97.6 | -174.8 | 113.3 | 0 | 0 | 110 | P6 V10 | P6-E8 PolarHBondContact O-N 3.33Å; P6-E8 VanDerWaalsContact O-N 3.08Å; E8-V10 PolarHBondContact O-N 3.49Å | ||
| 9 | S | 39.7 | Very low | 52.7 | Low | 86 Ų | 86 | 123.1 Ų | 123.1 | 60% | 0.601 | 66% | 0.661 | S | S | * | * | trans | -53.3 | 115.4 | 179.4 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | E11 S12 | S9-E11 VanDerWaalsContact C-N 3.3Å; S9-S12 PolarHBondContact O-OG 3.47Å | ||
| 10 | V | 45.9 | Very low | 54.7 | Low | 129 Ų | 129 | 116.9 Ų | 116.9 | 78% | 0.782 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -5.4 | 174.7 | -177.4 | 0 | 0 | 0 | 0 | 112.6 | E8 | E8-V10 PolarHBondContact O-N 3.49Š|
| 11 | E | 45.6 | Very low | 56.6 | Low | 173 Ų | 173 | 115.8 Ų | 115.8 | 81% | 0.808 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -19.8 | -177.1 | -71.5 | -175.5 | 149.9 | 0 | 0 | 114.6 | S9 S14 | S9-E11 VanDerWaalsContact C-N 3.3Å; E11-S14 PolarHBondContact O-OG 2.86Å |
| 12 | S | 46.5 | Very low | 59.3 | Low | 63 Ų | 63 | 107 Ų | 107 | 44% | 0.441 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -82 | -19 | -173.1 | 56.4 | 0 | 0 | 0 | 0 | 115.3 | S9 S15 | S9-S12 PolarHBondContact O-OG 3.47Å; S12-S15 PolarHBondContact O-OG 3.3Å |
| 13 | Q | 49.4 | Very low | 62.1 | Low | 158 Ų | 158 | 102.5 Ų | 102.5 | 74% | 0.738 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -77.8 | -30.3 | -179.1 | -73.2 | -178.4 | -4.9 | 0 | 0 | 112.8 | S15 | Q13-S15 VanDerWaalsContact C-N 3.32Å; Q13-S15 PolarHBondContact O-N 3.49Å |
| 14 | S | 59.1 | Low | 64.7 | Low | 73 Ų | 73 | 105 Ų | 105 | 51% | 0.51 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.6 | -26 | 179.7 | 71.1 | 0 | 0 | 0 | 0 | 113.2 | E11 L18 | E11-S14 PolarHBondContact O-OG 2.86Å; S14-L18 WeakPolarHBondContact O-CG 3.32Å |
| 15 | S | 65.6 | Low | 67.3 | Low | 21 Ų | 21 | 98.9 Ų | 98.9 | 15% | 0.147 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -72.5 | -40.6 | 179.2 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | S12 Q13 E17 L18 E19 | S12-S15 PolarHBondContact O-OG 3.3Å; Q13-S15 VanDerWaalsContact C-N 3.32Å; Q13-S15 PolarHBondContact O-N 3.49Å; S15-E17 VanDerWaalsContact C-N 3.28Å; S15-E17 PolarHBondContact O-N 3.04Å; S15-L18 PolarHBondContact O-N 3.33Å; S15-L18 VanDerWaalsContact O-N 3.14Å; S15-E19 WeakPolarHBondContact O-CG 3.28Å |
| 16 | D | 76.2 | Confident | 70.1 | Confident | 88 Ų | 88 | 97.6 Ų | 97.6 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.9 | -30.8 | -175.4 | -84.6 | 18.3 | 0 | 0 | 0 | 112.4 | L18 K21 | D16-L18 VanDerWaalsContact C-N 3.33Å; D16-K21 PolarHBondContact O-NZ 3.17Å |
| 17 | E | 84.3 | Confident | 72.3 | Confident | 138 Ų | 138 | 92.8 Ų | 92.8 | 65% | 0.645 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -72.9 | -27.6 | 176.9 | -168.7 | 172.9 | -175.6 | 0 | 0 | 112.2 | S15 E19 | S15-E17 VanDerWaalsContact C-N 3.28Å; S15-E17 PolarHBondContact O-N 3.04Å; E17-E19 VanDerWaalsContact C-N 3.25Å; E17-E19 PolarHBondContact O-N 3.08Å |
| 18 | L | 89.7 | Confident | 74.7 | Confident | 33 Ų | 33 | 86 Ų | 86 | 17% | 0.173 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 16.5 | 179.6 | -61.8 | 174.8 | 0 | 0 | 0 | 113.1 | S14 S15 D16 R26 Y27 I87 N90 | S14-L18 WeakPolarHBondContact O-CG 3.32Å; S15-L18 PolarHBondContact O-N 3.33Å; S15-L18 VanDerWaalsContact O-N 3.14Å; D16-L18 VanDerWaalsContact C-N 3.33Å; L18-R26 WeakPolarHBondContact O-CA 3.31Å; L18-Y27 WeakPolarHBondContact O-CD2 3.4Å; L18-Y27 PolarHBondContact O-N 2.95Å; L18-I87 HydrophobicContact CD2-CG2 3.86Å; L18-N90 HydrophobicContact CD2-CB 4.08Å |
| 19 | E | 93.6 | Very high | 77.2 | Confident | 38 Ų | 38 | 81.8 Ų | 81.8 | 18% | 0.178 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -122.7 | 140.2 | -177.4 | -72.5 | 176.4 | -177.9 | 0 | 0 | 112.6 | S15 E17 K21 R26 Y27 | S15-E19 WeakPolarHBondContact O-CG 3.28Å; E17-E19 VanDerWaalsContact C-N 3.25Å; E17-E19 PolarHBondContact O-N 3.08Å; E19-K21 PolarHBondContact O-N 2.97Å; E19-R26 HydrophobicContact CG-CB 4.35Å; E19-R26 HydrophobicContact CG-CG 3.6Å; E19-R26 WeakPolarHBondContact OE1-CG 3.14Å; E19-R26 IonicContact OE1-CZ 3.74Å; E19-R26 IonicContact OE1-NH1 3.39Å; E19-R26 PolarHBondContact OE1-NH1 3.32Å; E19-Y27 VanDerWaalsContact C-CE2 3.48Å |
| 20 | C | 94.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 43% | 0.425 | C | S | . | . | trans | -72.9 | 121.8 | 177 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | I22 C23 Y24 N25 Y27 C44 | C20-I22 PolarHBondContact O-N 2.92Å; C20-C23 PolarHBondContact O-N 3.47Å; C20-Y24 VanDerWaalsContact O-CA 3.23Å; C20-Y24 WeakPolarHBondContact O-CA 3.44Å; C20-Y24 PolarHBondContact O-N 2.71Å; C20-N25 PolarHBondContact N-O 2.91Å; C20-Y27 WeakPolarHBondContact CA-OH 3.31Å; C20-Y27 HydrophobicContact CB-CD1 4.41Å; C20-Y27 HydrophobicContact CB-CE1 3.75Å; C20-C44 HydrophobicContact CB-CB 3.91Å; C20-C44 PolarHBondContact SG-N 3.4Å | ||
| 21 | K | 93.6 | Very high | 81.5 | Confident | 94 Ų | 94 | 84.1 Ų | 84.1 | 41% | 0.409 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -0.8 | -178.2 | -56.9 | -52.1 | -170.1 | -171 | 0 | 115.8 | D16 E19 F66 | D16-K21 PolarHBondContact O-NZ 3.17Å; E19-K21 PolarHBondContact O-N 2.97Å; K21-F66 HydrophobicContact CB-CE1 4.15Å; K21-F66 HydrophobicContact CB-CZ 4.13Å |
| 22 | I | 93.9 | Very high | 83.7 | Confident | 63 Ų | 63 | 78 Ų | 78 | 32% | 0.323 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -46.2 | 173.6 | -55.3 | -172.7 | 0 | 0 | 0 | 111.4 | C20 V43 C47 I51 P65 F66 | C20-I22 PolarHBondContact O-N 2.92Å; I22-V43 HydrophobicContact CD1-CB 4.3Å; I22-V43 HydrophobicContact CD1-CG1 3.37Å; I22-V43 HydrophobicContact CD1-CG2 3.88Å; I22-V43 HydrophobicContact CG1-CG1 4.26Å; I22-C47 HydrophobicContact CB-CB 4.36Å; I22-C47 HydrophobicContact CD1-CB 4.26Å; I22-C47 HydrophobicContact CG2-CB 4.37Å; I22-I51 HydrophobicContact CD1-CD1 4.02Å; I22-P65 HydrophobicContact CD1-CB 4.17Å; I22-P65 HydrophobicContact CD1-CG 3.43Å; I22-P65 VanDerWaalsContact CD1-CG 3.43Å; I22-P65 HydrophobicContact CG1-CG 4.4Å; I22-F66 HydrophobicContact CD1-CZ 4.38Å; I22-F66 HydrophobicContact CG1-CE1 4.42Å; I22-F66 HydrophobicContact CG1-CZ 3.88Å |
| 23 | C | 93.3 | Very high | 86 | Confident | 35 Ų | 35 | 78.2 Ų | 78.2 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -1.8 | -175.5 | 63.4 | 0 | 0 | 0 | 0 | 113.8 | C20 N25 R32 C47 | C20-C23 PolarHBondContact O-N 3.47Å; C23-N25 PolarHBondContact O-N 3.03Å; C23-N25 PolarHBondContact O-ND2 3.37Å; C23-R32 PolarHBondContact SG-NH1 2.93Å; C23-C47 VanDerWaalsContact CB-SG 3.56Å |
| 24 | Y | 92.9 | Very high | 88.2 | Confident | 171 Ų | 171 | 70.7 Ų | 70.7 | 67% | 0.671 | 33% | 0.331 | S | S | * | . | trans | 50.7 | 32.3 | -179.1 | -56.8 | -84.2 | 0 | 0 | 0 | 113.6 | C20 | C20-Y24 VanDerWaalsContact O-CA 3.23Å; C20-Y24 WeakPolarHBondContact O-CA 3.44Å; C20-Y24 PolarHBondContact O-N 2.71Å | ||
| 25 | N | 92.3 | Very high | 90 | Very high | 60 Ų | 60 | 67.9 Ų | 67.9 | 32% | 0.321 | 31% | 0.309 | S | S | . | . | trans | -111.5 | 147.6 | 176.8 | -74.2 | -84.9 | 0 | 0 | 0 | 109.4 | C20 C23 R32 | C20-N25 PolarHBondContact N-O 2.91Å; C23-N25 PolarHBondContact O-N 3.03Å; C23-N25 PolarHBondContact O-ND2 3.37Å; N25-R32 VanDerWaalsContact CB-CZ 3.48Å; N25-R32 VanDerWaalsContact CB-NH1 3.3Å; N25-R32 VanDerWaalsContact CG-CZ 3.47Å; N25-R32 PolarHBondContact ND2-NH1 3.49Å; N25-R32 PolarHBondContact ND2-NH2 3.28Å | ||
| 26 | R | 91.9 | Very high | 91.4 | Very high | 133 Ų | 133 | 68.3 Ų | 68.3 | 50% | 0.502 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -59 | 140 | 175 | -77 | -176.5 | 135.4 | 85.1 | -14.8 | 112.4 | L18 E19 R32 | L18-R26 WeakPolarHBondContact O-CA 3.31Å; E19-R26 HydrophobicContact CG-CB 4.35Å; E19-R26 HydrophobicContact CG-CG 3.6Å; E19-R26 WeakPolarHBondContact OE1-CG 3.14Å; E19-R26 IonicContact OE1-CZ 3.74Å; E19-R26 IonicContact OE1-NH1 3.39Å; E19-R26 PolarHBondContact OE1-NH1 3.32Å; R26-R32 WeakPolarHBondContact O-CD 3.39Å |
| 27 | Y | 92.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 64.4 Ų | 64.4 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | trans | -64.9 | 150.8 | 169.9 | -66.2 | -64.9 | 0 | 0 | 0 | 110.2 | L18 E19 C20 R32 P34 C44 I87 L91 | L18-Y27 WeakPolarHBondContact O-CD2 3.4Å; L18-Y27 PolarHBondContact O-N 2.95Å; E19-Y27 VanDerWaalsContact C-CE2 3.48Å; C20-Y27 WeakPolarHBondContact CA-OH 3.31Å; C20-Y27 HydrophobicContact CB-CD1 4.41Å; C20-Y27 HydrophobicContact CB-CE1 3.75Å; Y27-R32 VanDerWaalsContact CA-O 3.31Å; Y27-R32 WeakPolarHBondContact CA-O 3.23Å; Y27-R32 WeakPolarHBondContact CD1-O 3.43Å; Y27-P34 HydrophobicContact CD1-CB 3.7Å; Y27-P34 HydrophobicContact CD1-CG 4.39Å; Y27-P34 HydrophobicContact CD2-CB 4.33Å; Y27-P34 HydrophobicContact CE1-CB 3.67Å; Y27-P34 HydrophobicContact CE2-CB 4.35Å; Y27-P34 HydrophobicContact CG-CB 4.04Å; Y27-P34 HydrophobicContact CG-CG 4.42Å; Y27-C44 HydrophobicContact CD1-CB 3.82Å; Y27-C44 HydrophobicContact CE1-CB 3.67Å; Y27-I87 HydrophobicContact CD2-CD1 4.24Å; Y27-I87 HydrophobicContact CD2-CG2 3.72Å; Y27-I87 HydrophobicContact CE2-CD1 4.01Å; Y27-I87 HydrophobicContact CG-CG2 4.11Å; Y27-L91 VanDerWaalsContact O-CD2 3.31Å; Y27-L91 WeakPolarHBondContact O-CD2 3.46Å | ||
| 28 | N | 90.3 | Very high | 92.7 | Very high | 59 Ų | 59 | 63 Ų | 63 | 32% | 0.316 | 28% | 0.283 | S | S | . | . | trans | -145.4 | 162.5 | 175.6 | 66.7 | 48.3 | 0 | 0 | 0 | 111.2 | R30 Q31 R32 K33 | N28-R30 PolarHBondContact O-N 3.2Å; N28-R30 PolarHBondContact OD1-N 2.91Å; N28-Q31 PolarHBondContact OD1-N 3.48Å; N28-R32 PolarHBondContact N-O 3.37Å; N28-R32 CarbonylContact O-C 3.29Å; N28-R32 VanDerWaalsContact O-C 3.29Å; N28-R32 PolarHBondContact OD1-N 3.27Å; N28-K33 WeakPolarHBondContact O-CA 3.39Å; N28-K33 WeakPolarHBondContact O-CG 3.48Å; N28-K33 PolarHBondContact O-N 3.13Å | ||
| 29 | L | 90.1 | Very high | 93 | Very high | 92 Ų | 92 | 62.9 Ų | 62.9 | 48% | 0.482 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -72.7 | -3.3 | -177.4 | -56 | 179.5 | 0 | 0 | 0 | 113.8 | K33 L88 L91 | L29-K33 WeakPolarHBondContact O-CE 3.39Å; L29-L88 HydrophobicContact CD2-CB 4.18Å; L29-L88 HydrophobicContact CD2-CD2 3.51Å; L29-L88 HydrophobicContact CD2-CG 4.42Å; L29-L91 HydrophobicContact CD2-CB 4.22Å |
| 30 | R | 88.3 | Confident | 93 | Very high | 192 Ų | 192 | 65.5 Ų | 65.5 | 73% | 0.725 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -108.7 | -93.8 | -174.8 | -64.5 | -176.3 | -175.6 | -101.2 | 8.2 | 110.9 | N28 | N28-R30 PolarHBondContact O-N 3.2Å; N28-R30 PolarHBondContact OD1-N 2.91Å |
| 31 | Q | 87.6 | Confident | 93.1 | Very high | 72 Ų | 72 | 68.9 Ų | 68.9 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -92.7 | -20.9 | -169.6 | -63.4 | 179.1 | 0.1 | 0 | 0 | 113.6 | N28 K46 W171 | N28-Q31 PolarHBondContact OD1-N 3.48Å; Q31-K46 PolarHBondContact O-N 3.43Å; Q31-W171 VanDerWaalsContact NE2-CZ3 3.26Å |
| 32 | R | 92.8 | Very high | 93.2 | Very high | 44 Ų | 44 | 70.3 Ų | 70.3 | 17% | 0.166 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -112.7 | 45.9 | 179.2 | -60.3 | -178 | -173.5 | -104.8 | 15 | 110.5 | C23 N25 R26 Y27 N28 C44 K46 | C23-R32 PolarHBondContact SG-NH1 2.93Å; N25-R32 VanDerWaalsContact CB-CZ 3.48Å; N25-R32 VanDerWaalsContact CB-NH1 3.3Å; N25-R32 VanDerWaalsContact CG-CZ 3.47Å; N25-R32 PolarHBondContact ND2-NH1 3.49Å; N25-R32 PolarHBondContact ND2-NH2 3.28Å; R26-R32 WeakPolarHBondContact O-CD 3.39Å; Y27-R32 VanDerWaalsContact CA-O 3.31Å; Y27-R32 WeakPolarHBondContact CA-O 3.23Å; Y27-R32 WeakPolarHBondContact CD1-O 3.43Å; N28-R32 PolarHBondContact N-O 3.37Å; N28-R32 CarbonylContact O-C 3.29Å; N28-R32 VanDerWaalsContact O-C 3.29Å; N28-R32 PolarHBondContact OD1-N 3.27Å; R32-C44 HydrophobicContact CB-CB 4.09Å; R32-K46 HydrophobicContact CG-CB 4.36Å |
| 33 | K | 95 | Very high | 93.3 | Very high | 68 Ų | 68 | 67.3 Ų | 67.3 | 30% | 0.296 | 31% | 0.31 | S | S | . | . | trans | -64.2 | 137 | 171.7 | -70.4 | 178.9 | 170.7 | -163.5 | 0 | 110.2 | N28 L29 K35 C44 A45 D83 L88 | N28-K33 WeakPolarHBondContact O-CA 3.39Å; N28-K33 WeakPolarHBondContact O-CG 3.48Å; N28-K33 PolarHBondContact O-N 3.13Å; L29-K33 WeakPolarHBondContact O-CE 3.39Å; K33-K35 PolarHBondContact O-N 3Å; K33-C44 CarbonylContact O-C 3.49Å; K33-C44 VanDerWaalsContact O-CA 3.27Å; K33-C44 WeakPolarHBondContact O-CA 3.38Å; K33-A45 PolarHBondContact O-N 3.47Å; K33-D83 IonicContact NZ-OD2 3.22Å; K33-L88 HydrophobicContact CG-CD2 4.38Å | ||
| 34 | P | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 106.2 | 176.4 | 30 | -32 | 0 | 0 | 0 | 109.4 | Y27 D83 D84 I87 L88 | Y27-P34 HydrophobicContact CD1-CB 3.7Å; Y27-P34 HydrophobicContact CD1-CG 4.39Å; Y27-P34 HydrophobicContact CD2-CB 4.33Å; Y27-P34 HydrophobicContact CE1-CB 3.67Å; Y27-P34 HydrophobicContact CE2-CB 4.35Å; Y27-P34 HydrophobicContact CG-CB 4.04Å; Y27-P34 HydrophobicContact CG-CG 4.42Å; P34-D83 CarbonylContact O-C 3.51Å; P34-D83 WeakPolarHBondContact O-CA 3.31Å; P34-D84 HydrophobicContact CB-CB 4.08Å; P34-D84 HydrophobicContact CG-CB 3.99Å; P34-D84 PolarHBondContact O-N 3.43Å; P34-I87 HydrophobicContact CB-CB 4.43Å; P34-I87 HydrophobicContact CB-CD1 4.03Å; P34-I87 HydrophobicContact CB-CG2 4.29Å; P34-I87 HydrophobicContact CG-CB 3.83Å; P34-I87 HydrophobicContact CG-CD1 4.37Å; P34-I87 HydrophobicContact CG-CG2 3.74Å; P34-L88 HydrophobicContact CG-CD2 4.32Å; P34-L88 HydrophobicContact CG-CG 4.28Å |
| 35 | K | 95.9 | Very high | 93.5 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 140.8 | 175.3 | -66.9 | -64 | -169.8 | -178.6 | 0 | 110.3 | K33 R42 V43 A45 L48 V78 S79 L81 P82 D83 | K33-K35 PolarHBondContact O-N 3Å; K35-R42 WeakPolarHBondContact O-CA 3.17Å; K35-V43 WeakPolarHBondContact CA-O 3.4Å; K35-V43 WeakPolarHBondContact CB-O 3.5Å; K35-V43 PolarHBondContact N-O 2.91Å; K35-V43 PolarHBondContact O-N 2.95Å; K35-A45 HydrophobicContact CG-CB 3.97Å; K35-L48 HydrophobicContact CB-CD1 3.43Å; K35-L48 VanDerWaalsContact CB-CD1 3.43Å; K35-L48 HydrophobicContact CG-CD1 3.98Å; K35-V78 VanDerWaalsContact CE-O 3.24Å; K35-V78 WeakPolarHBondContact CE-O 3.35Å; K35-V78 HydrophobicContact CG-CG1 4.14Å; K35-S79 PolarHBondContact NZ-O 3.16Å; K35-S79 VanDerWaalsContact NZ-O 3.17Å; K35-L81 HydrophobicContact CB-CB 4.34Å; K35-L81 HydrophobicContact CD-CB 3.98Å; K35-L81 WeakPolarHBondContact CD-O 3.17Å; K35-L81 HydrophobicContact CG-CB 4.49Å; K35-L81 PolarHBondContact NZ-O 3.12Å; K35-P82 WeakPolarHBondContact CA-O 3.15Å; K35-D83 WeakPolarHBondContact CD-OD1 3.36Å; K35-D83 WeakPolarHBondContact CE-OD1 3.47Å; K35-D83 IonicContact NZ-OD1 2.83Å; K35-D83 PolarHBondContact NZ-OD1 3.05Å |
| 36 | V | 95.4 | Very high | 93.5 | Very high | 30 Ų | 30 | 58.4 Ų | 58.4 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.7 | 178.3 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | R42 P82 D84 | V36-R42 HydrophobicContact CG2-CG 4.42Å; V36-P82 HydrophobicContact CB-CG 4.33Å; V36-P82 PolarHBondContact N-O 3.35Å; V36-D84 HydrophobicContact CG2-CB 3.87Å |
| 37 | L | 95.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | trans | -78.9 | 167.5 | 173.6 | -64.3 | 171 | 0 | 0 | 0 | 110.7 | C39 C40 H41 V43 L48 I62 C64 T71 L81 | L37-C39 PolarHBondContact O-N 3.24Å; L37-C40 WeakPolarHBondContact O-CA 3.1Å; L37-C40 PolarHBondContact O-N 3.19Å; L37-H41 PolarHBondContact N-O 3.46Å; L37-V43 HydrophobicContact CD1-CG2 4.42Å; L37-L48 HydrophobicContact CD1-CD2 4.49Å; L37-L48 HydrophobicContact CD2-CD1 4.36Å; L37-L48 HydrophobicContact CD2-CD2 4.14Å; L37-I62 HydrophobicContact CD2-CD1 4.5Å; L37-I62 HydrophobicContact CD2-CG2 4.13Å; L37-C64 HydrophobicContact CD1-CB 3.76Å; L37-T71 HydrophobicContact CD2-CG2 4.14Å; L37-L81 HydrophobicContact CD2-CD1 3.92Å | ||
| 38 | E | 93.3 | Very high | 93.7 | Very high | 109 Ų | 109 | 52 Ų | 52 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -31.7 | 177.4 | -79.1 | 171 | -149.9 | 0 | 0 | 112.8 | C40 F69 T71 C72 | E38-C40 PolarHBondContact O-N 3.21Å; E38-C40 VanDerWaalsContact O-N 3.14Å; E38-F69 HydrophobicContact CB-CD1 4.18Å; E38-F69 HydrophobicContact CB-CE1 3.53Å; E38-F69 HydrophobicContact CB-CZ 4.44Å; E38-F69 WeakPolarHBondContact OE2-CE1 3.32Å; E38-T71 HydrophobicContact CB-CG2 4.22Å; E38-T71 HydrophobicContact CG-CG2 3.82Å; E38-T71 PolarHBondContact N-OG1 2.95Å; E38-C72 PolarHBondContact OE1-N 3.17Å |
| 39 | C | 94.9 | Very high | 93.7 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 9.2 | 172.6 | 63.6 | 0 | 0 | 0 | 0 | 114.6 | L37 H41 C67 F69 | L37-C39 PolarHBondContact O-N 3.24Å; C39-H41 PolarHBondContact O-N 2.85Å; C39-H41 VanDerWaalsContact O-N 3.11Å; C39-H41 PolarHBondContact SG-ND1 3.39Å; C39-H41 VanDerWaalsContact SG-ND1 3.38Å; C39-C67 PolarHBondContact SG-SG 3.38Å; C39-F69 HydrophobicContact CB-CB 3.63Å; C39-F69 HydrophobicContact CB-CD1 3.78Å; C39-F69 HydrophobicContact CB-CG 3.73Å |
| 40 | C | 94.5 | Very high | 93.7 | Very high | 93 Ų | 93 | 51.4 Ų | 51.4 | 63% | 0.628 | 24% | 0.243 | S | C | * | . | trans | 63 | 9.2 | -178.1 | -58.9 | 0 | 0 | 0 | 0 | 115.5 | L37 E38 | L37-C40 WeakPolarHBondContact O-CA 3.1Å; L37-C40 PolarHBondContact O-N 3.19Å; E38-C40 PolarHBondContact O-N 3.21Å; E38-C40 VanDerWaalsContact O-N 3.14Å | ||
| 41 | H | 95.8 | Very high | 93.8 | Very high | 70 Ų | 70 | 44.5 Ų | 44.5 | 32% | 0.324 | 22% | 0.221 | S | C | . | . | trans | -76.4 | 145.2 | 170.7 | -74.8 | 106.4 | 0 | 0 | 0 | 111.6 | L37 C39 F66 C67 | L37-H41 PolarHBondContact N-O 3.46Å; C39-H41 PolarHBondContact O-N 2.85Å; C39-H41 VanDerWaalsContact O-N 3.11Å; C39-H41 PolarHBondContact SG-ND1 3.39Å; C39-H41 VanDerWaalsContact SG-ND1 3.38Å; H41-F66 HydrophobicContact CB-CD2 3.75Å; H41-F66 HydrophobicContact CB-CE2 4.34Å; H41-F66 AromaticContact CD2-CD2 3.88Å; H41-F66 AromaticContact CG-CD2 3.85Å; H41-C67 PolarHBondContact ND1-SG 3.14Å | ||
| 42 | R | 95.2 | Very high | 93.7 | Very high | 125 Ų | 125 | 43.2 Ų | 43.2 | 47% | 0.472 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.9 | -176.9 | -61.3 | 172 | -178.2 | 97.5 | 1 | 110.9 | K35 V36 D84 | K35-R42 WeakPolarHBondContact O-CA 3.17Å; V36-R42 HydrophobicContact CG2-CG 4.42Å; R42-D84 IonicContact CZ-OD2 2.83Å; R42-D84 IonicContact NE-OD2 3.65Å; R42-D84 PolarHBondContact NE-OD2 3.48Å; R42-D84 IonicContact NH2-OD2 2.72Å; R42-D84 PolarHBondContact NH2-OD2 3.08Å |
| 43 | V | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 142.5 | 175 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | I22 K35 L37 C47 L48 P65 F66 | I22-V43 HydrophobicContact CD1-CB 4.3Å; I22-V43 HydrophobicContact CD1-CG1 3.37Å; I22-V43 HydrophobicContact CD1-CG2 3.88Å; I22-V43 HydrophobicContact CG1-CG1 4.26Å; K35-V43 WeakPolarHBondContact CA-O 3.4Å; K35-V43 WeakPolarHBondContact CB-O 3.5Å; K35-V43 PolarHBondContact N-O 2.91Å; K35-V43 PolarHBondContact O-N 2.95Å; L37-V43 HydrophobicContact CD1-CG2 4.42Å; V43-C47 HydrophobicContact CG1-CB 3.56Å; V43-L48 HydrophobicContact CB-CD1 4.31Å; V43-L48 HydrophobicContact CB-CD2 3.72Å; V43-L48 HydrophobicContact CB-CG 3.81Å; V43-L48 HydrophobicContact CG1-CD2 3.72Å; V43-L48 HydrophobicContact CG1-CG 3.71Å; V43-L48 HydrophobicContact CG2-CD2 4.17Å; V43-P65 HydrophobicContact CG2-CG 4.15Å; V43-F66 HydrophobicContact CG2-CD2 4.39Å; V43-F66 HydrophobicContact CG2-CE2 3.56Å; V43-F66 HydrophobicContact CG2-CZ 4.3Å |
| 44 | C | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 146.9 | 176.6 | 73.9 | 0 | 0 | 0 | 0 | 111.6 | C20 Y27 R32 K33 K46 C47 L48 | C20-C44 HydrophobicContact CB-CB 3.91Å; C20-C44 PolarHBondContact SG-N 3.4Å; Y27-C44 HydrophobicContact CD1-CB 3.82Å; Y27-C44 HydrophobicContact CE1-CB 3.67Å; R32-C44 HydrophobicContact CB-CB 4.09Å; K33-C44 CarbonylContact O-C 3.49Å; K33-C44 VanDerWaalsContact O-CA 3.27Å; K33-C44 WeakPolarHBondContact O-CA 3.38Å; C44-K46 VanDerWaalsContact C-N 3.28Å; C44-K46 PolarHBondContact O-N 3.14Å; C44-C47 WeakPolarHBondContact O-CB 3.48Å; C44-C47 PolarHBondContact O-N 3.29Å; C44-C47 PolarHBondContact SG-SG 3.1Å; C44-L48 PolarHBondContact O-N 2.88Å; C44-L48 VanDerWaalsContact O-N 3.08Å |
| 45 | A | 95 | Very high | 91.4 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -51.2 | -45.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K33 K35 C47 L48 C49 V78 | K33-A45 PolarHBondContact O-N 3.47Å; K35-A45 HydrophobicContact CG-CB 3.97Å; A45-C47 VanDerWaalsContact C-N 3.29Å; A45-C47 PolarHBondContact O-N 2.72Å; A45-L48 PolarHBondContact O-N 3.41Å; A45-L48 VanDerWaalsContact O-N 3.14Å; A45-C49 PolarHBondContact O-N 3.22Å; A45-C49 PolarHBondContact O-SG 2.86Å; A45-V78 HydrophobicContact CB-CG1 4.14Å |
| 46 | K | 93.7 | Very high | 90.1 | Very high | 62 Ų | 62 | 56.3 Ų | 56.3 | 27% | 0.27 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.6 | -36.7 | 175.6 | -170.7 | 170.7 | -174 | 167.9 | 0 | 113.8 | Q31 R32 C44 K50 | Q31-K46 PolarHBondContact O-N 3.43Å; R32-K46 HydrophobicContact CG-CB 4.36Å; C44-K46 VanDerWaalsContact C-N 3.28Å; C44-K46 PolarHBondContact O-N 3.14Å; K46-K50 WeakPolarHBondContact O-CG 3.45Å; K46-K50 PolarHBondContact O-N 3.36Å |
| 47 | C | 94.4 | Very high | 88.7 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74.7 | -40.2 | 176.7 | -79.4 | 0 | 0 | 0 | 0 | 111.7 | I22 C23 V43 C44 A45 K50 I51 | I22-C47 HydrophobicContact CB-CB 4.36Å; I22-C47 HydrophobicContact CD1-CB 4.26Å; I22-C47 HydrophobicContact CG2-CB 4.37Å; C23-C47 VanDerWaalsContact CB-SG 3.56Å; V43-C47 HydrophobicContact CG1-CB 3.56Å; C44-C47 WeakPolarHBondContact O-CB 3.48Å; C44-C47 PolarHBondContact O-N 3.29Å; C44-C47 PolarHBondContact SG-SG 3.1Å; A45-C47 VanDerWaalsContact C-N 3.29Å; A45-C47 PolarHBondContact O-N 2.72Å; C47-K50 PolarHBondContact O-N 3.37Å; C47-I51 WeakPolarHBondContact O-CG1 3.47Å; C47-I51 PolarHBondContact O-N 3.25Å |
| 48 | L | 93.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 176.1 | -70 | -179.5 | 0 | 0 | 0 | 112 | K35 L37 V43 C44 A45 K50 I51 I52 I62 V78 L81 | K35-L48 HydrophobicContact CB-CD1 3.43Å; K35-L48 VanDerWaalsContact CB-CD1 3.43Å; K35-L48 HydrophobicContact CG-CD1 3.98Å; L37-L48 HydrophobicContact CD1-CD2 4.49Å; L37-L48 HydrophobicContact CD2-CD1 4.36Å; L37-L48 HydrophobicContact CD2-CD2 4.14Å; V43-L48 HydrophobicContact CB-CD1 4.31Å; V43-L48 HydrophobicContact CB-CD2 3.72Å; V43-L48 HydrophobicContact CB-CG 3.81Å; V43-L48 HydrophobicContact CG1-CD2 3.72Å; V43-L48 HydrophobicContact CG1-CG 3.71Å; V43-L48 HydrophobicContact CG2-CD2 4.17Å; C44-L48 PolarHBondContact O-N 2.88Å; C44-L48 VanDerWaalsContact O-N 3.08Å; A45-L48 PolarHBondContact O-N 3.41Å; A45-L48 VanDerWaalsContact O-N 3.14Å; L48-K50 VanDerWaalsContact C-N 3.32Å; L48-K50 PolarHBondContact O-N 2.9Å; L48-I51 HydrophobicContact CD2-CD1 4.36Å; L48-I51 PolarHBondContact O-N 3.34Å; L48-I51 VanDerWaalsContact O-N 3.1Å; L48-I52 WeakPolarHBondContact O-CG1 3.46Å; L48-I52 PolarHBondContact O-N 3.16Å; L48-I52 VanDerWaalsContact O-N 3.09Å; L48-I62 HydrophobicContact CB-CD1 4.46Å; L48-I62 HydrophobicContact CD2-CD1 4.34Å; L48-I62 HydrophobicContact CD2-CG2 4.12Å; L48-V78 HydrophobicContact CB-CG1 3.72Å; L48-V78 HydrophobicContact CB-CG2 3.96Å; L48-V78 HydrophobicContact CD1-CG1 4.03Å; L48-L81 HydrophobicContact CD1-CD1 3.68Å |
| 49 | C | 90.8 | Very high | 86.5 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 30% | 0.297 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.1 | -48.1 | 174.9 | -65.6 | 0 | 0 | 0 | 0 | 111 | A45 I51 I52 D53 | A45-C49 PolarHBondContact O-N 3.22Å; A45-C49 PolarHBondContact O-SG 2.86Å; C49-I51 VanDerWaalsContact C-N 3.3Å; C49-I51 PolarHBondContact O-N 2.68Å; C49-I52 PolarHBondContact O-N 2.83Å; C49-I52 VanDerWaalsContact O-N 3.16Å; C49-D53 PolarHBondContact O-N 3Å |
| 50 | K | 89.5 | Confident | 85.8 | Confident | 93 Ų | 93 | 63.2 Ų | 63.2 | 40% | 0.404 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 176.6 | -71.1 | -178.5 | 178 | -164.6 | 0 | 112.9 | K46 C47 L48 I52 D53 F54 | K46-K50 WeakPolarHBondContact O-CG 3.45Å; K46-K50 PolarHBondContact O-N 3.36Å; C47-K50 PolarHBondContact O-N 3.37Å; L48-K50 VanDerWaalsContact C-N 3.32Å; L48-K50 PolarHBondContact O-N 2.9Å; K50-I52 VanDerWaalsContact C-N 3.28Å; K50-I52 PolarHBondContact O-N 2.96Å; K50-D53 PolarHBondContact O-N 2.81Å; K50-F54 HydrophobicContact CB-CD2 4.13Å; K50-F54 HydrophobicContact CB-CE2 4.23Å; K50-F54 HydrophobicContact CG-CE2 4.29Å; K50-F54 WeakPolarHBondContact O-CB 3.47Å; K50-F54 WeakPolarHBondContact O-CD2 2.89Å; K50-F54 PolarHBondContact O-N 2.72Å |
| 51 | I | 89.1 | Confident | 85.5 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 179 | -70.9 | 163.6 | 0 | 0 | 0 | 110.5 | I22 C47 L48 C49 G55 I62 P65 | I22-I51 HydrophobicContact CD1-CD1 4.02Å; C47-I51 WeakPolarHBondContact O-CG1 3.47Å; C47-I51 PolarHBondContact O-N 3.25Å; L48-I51 HydrophobicContact CD2-CD1 4.36Å; L48-I51 PolarHBondContact O-N 3.34Å; L48-I51 VanDerWaalsContact O-N 3.1Å; C49-I51 VanDerWaalsContact C-N 3.3Å; C49-I51 PolarHBondContact O-N 2.68Å; I51-G55 VanDerWaalsContact O-CA 3.29Å; I51-G55 WeakPolarHBondContact O-CA 3.36Å; I51-G55 PolarHBondContact O-N 2.96Å; I51-I62 HydrophobicContact CG2-CG2 4.37Å; I51-P65 HydrophobicContact CD1-CG 4.11Å |
| 52 | I | 86 | Confident | 85.3 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 23% | 0.231 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.1 | -47.3 | 174.8 | -61.3 | 169.1 | 0 | 0 | 0 | 110.5 | L48 C49 K50 F54 G55 I62 L73 V78 | L48-I52 WeakPolarHBondContact O-CG1 3.46Å; L48-I52 PolarHBondContact O-N 3.16Å; L48-I52 VanDerWaalsContact O-N 3.09Å; C49-I52 PolarHBondContact O-N 2.83Å; C49-I52 VanDerWaalsContact O-N 3.16Å; K50-I52 VanDerWaalsContact C-N 3.28Å; K50-I52 PolarHBondContact O-N 2.96Å; I52-F54 VanDerWaalsContact C-N 3.3Å; I52-F54 PolarHBondContact O-N 3.37Å; I52-G55 PolarHBondContact O-N 2.81Å; I52-I62 HydrophobicContact CD1-CD1 3.75Å; I52-I62 HydrophobicContact CD1-CG1 3.91Å; I52-I62 HydrophobicContact CG1-CD1 4.03Å; I52-I62 HydrophobicContact CG1-CG1 3.78Å; I52-L73 HydrophobicContact CD1-CD1 3.64Å; I52-V78 HydrophobicContact CD1-CG2 3.35Å |
| 53 | D | 83.6 | Confident | 85.2 | Confident | 96 Ų | 96 | 53.7 Ų | 53.7 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.2 | -32.5 | -175.4 | -64.5 | -28.6 | 0 | 0 | 0 | 113.2 | C49 K50 | C49-D53 PolarHBondContact O-N 3Å; K50-D53 PolarHBondContact O-N 2.81Å |
| 54 | F | 79.3 | Confident | 85.1 | Confident | 96 Ų | 96 | 53.7 Ų | 53.7 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -104 | -6.4 | -179.8 | -63.6 | -63 | 0 | 0 | 0 | 114 | K50 I52 L176 Q179 | K50-F54 HydrophobicContact CB-CD2 4.13Å; K50-F54 HydrophobicContact CB-CE2 4.23Å; K50-F54 HydrophobicContact CG-CE2 4.29Å; K50-F54 WeakPolarHBondContact O-CB 3.47Å; K50-F54 WeakPolarHBondContact O-CD2 2.89Å; K50-F54 PolarHBondContact O-N 2.72Å; I52-F54 VanDerWaalsContact C-N 3.3Å; I52-F54 PolarHBondContact O-N 3.37Å; F54-L176 HydrophobicContact CE1-CD1 4.3Å; F54-L176 HydrophobicContact CZ-CD1 4.35Å; F54-Q179 HydrophobicContact CE1-CG 4.36Å; F54-Q179 VanDerWaalsContact CE1-NE2 3.3Å; F54-Q179 HydrophobicContact CZ-CG 4.19Å |
| 55 | G | 73 | Confident | 85 | Confident | 32 Ų | 32 | 56.8 Ų | 56.8 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | trans | -78.2 | 139.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111 | I51 I52 S57 | I51-G55 VanDerWaalsContact O-CA 3.29Å; I51-G55 WeakPolarHBondContact O-CA 3.36Å; I51-G55 PolarHBondContact O-N 2.96Å; I52-G55 PolarHBondContact O-N 2.81Å; G55-S57 PolarHBondContact O-N 2.89Å | ||
| 56 | D | 67.7 | Low | 84.9 | Confident | 177 Ų | 177 | 60.1 Ų | 60.1 | 95% | 0.947 | 33% | 0.327 | S | S | * | . | trans | -76.4 | 12.2 | 164.3 | -65.4 | -40.2 | 0 | 0 | 0 | 111.7 | ||||
| 57 | S | 66.9 | Low | 84.9 | Confident | 36 Ų | 36 | 60 Ų | 60 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -69.9 | 144.7 | -178.6 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | G55 V61 | G55-S57 PolarHBondContact O-N 2.89Å; S57-V61 PolarHBondContact OG-O 3.19Å |
| 58 | P | 68.4 | Low | 84.9 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 146.1 | 171.6 | 21.9 | -30.5 | 0 | 0 | 0 | 110.6 | G60 V61 | P58-G60 PolarHBondContact O-N 3Å; P58-V61 HydrophobicContact CG-CB 4.37Å; P58-V61 HydrophobicContact CG-CG2 4.3Å; P58-V61 PolarHBondContact O-N 3.11Å |
| 59 | Q | 73.9 | Confident | 84.9 | Confident | 179 Ų | 179 | 74.2 Ų | 74.2 | 84% | 0.836 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 130.8 | 176.6 | -67 | 169.7 | 7.5 | 0 | 0 | 109.1 | ||
| 60 | G | 80.4 | Confident | 85 | Confident | 10 Ų | 10 | 78.1 Ų | 78.1 | 10% | 0.103 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 5.9 | 178 | 0 | 0 | 0 | 0 | 0 | 116.9 | P58 C72 L73 D76 | P58-G60 PolarHBondContact O-N 3Å; G60-C72 CarbonylContact O-C 3.59Å; G60-C72 WeakPolarHBondContact O-CA 3.46Å; G60-L73 PolarHBondContact O-N 3.22Å; G60-D76 WeakPolarHBondContact CA-OD1 3.43Å; G60-D76 PolarHBondContact N-OD1 3.06Å |
| 61 | V | 88.3 | Confident | 85.1 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 17% | 0.17 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.4 | 175.6 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | S57 P58 E70 | S57-V61 PolarHBondContact OG-O 3.19Å; P58-V61 HydrophobicContact CG-CB 4.37Å; P58-V61 HydrophobicContact CG-CG2 4.3Å; P58-V61 PolarHBondContact O-N 3.11Å; V61-E70 HydrophobicContact CG1-CB 3.9Å; V61-E70 HydrophobicContact CG1-CG 4.05Å |
| 62 | I | 90.7 | Very high | 85.1 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126 | 171.4 | -57.7 | -177 | 0 | 0 | 0 | 109.6 | L37 L48 I51 I52 E70 T71 L73 L81 | L37-I62 HydrophobicContact CD2-CD1 4.5Å; L37-I62 HydrophobicContact CD2-CG2 4.13Å; L48-I62 HydrophobicContact CB-CD1 4.46Å; L48-I62 HydrophobicContact CD2-CD1 4.34Å; L48-I62 HydrophobicContact CD2-CG2 4.12Å; I51-I62 HydrophobicContact CG2-CG2 4.37Å; I52-I62 HydrophobicContact CD1-CD1 3.75Å; I52-I62 HydrophobicContact CD1-CG1 3.91Å; I52-I62 HydrophobicContact CG1-CD1 4.03Å; I52-I62 HydrophobicContact CG1-CG1 3.78Å; I62-E70 CarbonylContact O-C 3.57Å; I62-E70 WeakPolarHBondContact O-CA 3.23Å; I62-T71 PolarHBondContact N-O 3.05Å; I62-T71 PolarHBondContact O-N 2.93Å; I62-L73 HydrophobicContact CD1-CD1 3.91Å; I62-L73 HydrophobicContact CD1-CD2 3.91Å; I62-L73 HydrophobicContact CD1-CG 4.19Å; I62-L73 HydrophobicContact CG1-CD1 3.85Å; I62-L73 HydrophobicContact CG1-CD2 4.34Å; I62-L73 HydrophobicContact CG1-CG 4.12Å; I62-L81 HydrophobicContact CD1-CD1 3.96Å |
| 63 | V | 92.4 | Very high | 85.1 | Confident | 59 Ų | 59 | 73.4 Ų | 73.4 | 36% | 0.358 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 123.6 | 168.5 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | R68 E70 | V63-R68 HydrophobicContact CG1-CB 4.14Å; V63-E70 HydrophobicContact CG2-CG 4.15Å |
| 64 | C | 94 | Very high | 84.5 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | trans | -61.4 | 126.9 | 177.8 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | L37 F66 C67 R68 F69 | L37-C64 HydrophobicContact CD1-CB 3.76Å; C64-F66 PolarHBondContact O-N 3.34Å; C64-F66 PolarHBondContact SG-N 3.49Å; C64-C67 PolarHBondContact SG-SG 3.29Å; C64-R68 WeakPolarHBondContact O-CA 3.27Å; C64-R68 PolarHBondContact O-N 2.84Å; C64-F69 HydrophobicContact CB-CB 4.41Å; C64-F69 WeakPolarHBondContact CB-O 3.24Å; C64-F69 PolarHBondContact N-O 2.88Å | ||
| 65 | P | 93.6 | Very high | 84.2 | Confident | 65 Ų | 65 | 74.9 Ų | 74.9 | 42% | 0.422 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -15.1 | -177.8 | 25.3 | -31 | 0 | 0 | 0 | 113.8 | I22 V43 I51 | I22-P65 HydrophobicContact CD1-CB 4.17Å; I22-P65 HydrophobicContact CD1-CG 3.43Å; I22-P65 VanDerWaalsContact CD1-CG 3.43Å; I22-P65 HydrophobicContact CG1-CG 4.4Å; V43-P65 HydrophobicContact CG2-CG 4.15Å; I51-P65 HydrophobicContact CD1-CG 4.11Å |
| 66 | F | 94.2 | Very high | 84.1 | Confident | 86 Ų | 86 | 77.5 Ų | 77.5 | 38% | 0.377 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -42.7 | -179 | -52 | -69.4 | 0 | 0 | 0 | 112.6 | K21 I22 H41 V43 C64 | K21-F66 HydrophobicContact CB-CE1 4.15Å; K21-F66 HydrophobicContact CB-CZ 4.13Å; I22-F66 HydrophobicContact CD1-CZ 4.38Å; I22-F66 HydrophobicContact CG1-CE1 4.42Å; I22-F66 HydrophobicContact CG1-CZ 3.88Å; H41-F66 HydrophobicContact CB-CD2 3.75Å; H41-F66 HydrophobicContact CB-CE2 4.34Å; H41-F66 AromaticContact CD2-CD2 3.88Å; H41-F66 AromaticContact CG-CD2 3.85Å; V43-F66 HydrophobicContact CG2-CD2 4.39Å; V43-F66 HydrophobicContact CG2-CE2 3.56Å; V43-F66 HydrophobicContact CG2-CZ 4.3Å; C64-F66 PolarHBondContact O-N 3.34Å; C64-F66 PolarHBondContact SG-N 3.49Å |
| 67 | C | 93.9 | Very high | 84.8 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 40% | 0.399 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | 0.6 | -173.4 | 67.7 | 0 | 0 | 0 | 0 | 114.9 | C39 H41 C64 F69 | C39-C67 PolarHBondContact SG-SG 3.38Å; H41-C67 PolarHBondContact ND1-SG 3.14Å; C64-C67 PolarHBondContact SG-SG 3.29Å; C67-F69 PolarHBondContact O-N 3.49Å; C67-F69 VanDerWaalsContact O-N 3.11Å; C67-F69 VanDerWaalsContact SG-CB 3.58Å |
| 68 | R | 93.1 | Very high | 85.7 | Confident | 212 Ų | 212 | 73.3 Ų | 73.3 | 80% | 0.8 | 38% | 0.383 | S | S | * | . | trans | 60.8 | 13.1 | -179.1 | -51.9 | -176 | 179.1 | -156.9 | -0.8 | 115.7 | V63 C64 | V63-R68 HydrophobicContact CG1-CB 4.14Å; C64-R68 WeakPolarHBondContact O-CA 3.27Å; C64-R68 PolarHBondContact O-N 2.84Å | ||
| 69 | F | 93.8 | Very high | 86.5 | Confident | 98 Ų | 98 | 72.1 Ų | 72.1 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | trans | -66.7 | 135.5 | 172 | -172.2 | -89.9 | 0 | 0 | 0 | 110.6 | E38 C39 C64 C67 | E38-F69 HydrophobicContact CB-CD1 4.18Å; E38-F69 HydrophobicContact CB-CE1 3.53Å; E38-F69 HydrophobicContact CB-CZ 4.44Å; E38-F69 WeakPolarHBondContact OE2-CE1 3.32Å; C39-F69 HydrophobicContact CB-CB 3.63Å; C39-F69 HydrophobicContact CB-CD1 3.78Å; C39-F69 HydrophobicContact CB-CG 3.73Å; C64-F69 HydrophobicContact CB-CB 4.41Å; C64-F69 WeakPolarHBondContact CB-O 3.24Å; C64-F69 PolarHBondContact N-O 2.88Å; C67-F69 PolarHBondContact O-N 3.49Å; C67-F69 VanDerWaalsContact O-N 3.11Å; C67-F69 VanDerWaalsContact SG-CB 3.58Å | ||
| 70 | E | 92.6 | Very high | 87.2 | Confident | 126 Ų | 126 | 65.6 Ų | 65.6 | 59% | 0.589 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.1 | 178.8 | -71.2 | 176.1 | -173.3 | 0 | 0 | 110.4 | V61 I62 V63 | V61-E70 HydrophobicContact CG1-CB 3.9Å; V61-E70 HydrophobicContact CG1-CG 4.05Å; I62-E70 CarbonylContact O-C 3.57Å; I62-E70 WeakPolarHBondContact O-CA 3.23Å; V63-E70 HydrophobicContact CG2-CG 4.15Å |
| 71 | T | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.2 | 177.2 | -64.9 | 0 | 0 | 0 | 0 | 108.5 | L37 E38 I62 L81 | L37-T71 HydrophobicContact CD2-CG2 4.14Å; E38-T71 HydrophobicContact CB-CG2 4.22Å; E38-T71 HydrophobicContact CG-CG2 3.82Å; E38-T71 PolarHBondContact N-OG1 2.95Å; I62-T71 PolarHBondContact N-O 3.05Å; I62-T71 PolarHBondContact O-N 2.93Å; T71-L81 HydrophobicContact CG2-CD2 3.75Å |
| 72 | C | 89.5 | Confident | 87.9 | Confident | 77 Ų | 77 | 68.3 Ų | 68.3 | 52% | 0.52 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 134.6 | -179.8 | -66 | 0 | 0 | 0 | 0 | 110 | E38 G60 | E38-C72 PolarHBondContact OE1-N 3.17Å; G60-C72 CarbonylContact O-C 3.59Å; G60-C72 WeakPolarHBondContact O-CA 3.46Å |
| 73 | L | 84.8 | Confident | 88.1 | Confident | 11 Ų | 11 | 70.1 Ų | 70.1 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | trans | -96.8 | 117.7 | 175.6 | -62.6 | 176 | 0 | 0 | 0 | 109 | I52 G60 I62 D75 D76 L81 | I52-L73 HydrophobicContact CD1-CD1 3.64Å; G60-L73 PolarHBondContact O-N 3.22Å; I62-L73 HydrophobicContact CD1-CD1 3.91Å; I62-L73 HydrophobicContact CD1-CD2 3.91Å; I62-L73 HydrophobicContact CD1-CG 4.19Å; I62-L73 HydrophobicContact CG1-CD1 3.85Å; I62-L73 HydrophobicContact CG1-CD2 4.34Å; I62-L73 HydrophobicContact CG1-CG 4.12Å; L73-D75 VanDerWaalsContact C-N 3.25Å; L73-D75 PolarHBondContact O-N 2.75Å; L73-D76 PolarHBondContact O-N 3.2Å; L73-L81 HydrophobicContact CD2-CD1 3.88Å; L73-L81 HydrophobicContact CD2-CD2 4.01Å; L73-L81 HydrophobicContact CD2-CG 3.7Å | ||
| 74 | P | 70.6 | Confident | 88.1 | Confident | 104 Ų | 104 | 68.2 Ų | 68.2 | 68% | 0.675 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -25.7 | -178.2 | 22.7 | -31.6 | 0 | 0 | 0 | 113.9 | ||
| 75 | D | 73.3 | Confident | 88 | Confident | 118 Ų | 118 | 73.4 Ų | 73.4 | 63% | 0.631 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | 17.8 | -179.7 | -62.3 | -49.6 | 0 | 0 | 0 | 112.6 | L73 E77 | L73-D75 VanDerWaalsContact C-N 3.25Å; L73-D75 PolarHBondContact O-N 2.75Å; D75-E77 PolarHBondContact O-N 2.74Å |
| 76 | D | 71.6 | Confident | 87.8 | Confident | 88 Ų | 88 | 75.1 Ų | 75.1 | 47% | 0.471 | 40% | 0.398 | S | S | . | . | S | Bend | trans | 55.1 | 7.7 | -170.9 | -63.9 | -20 | 0 | 0 | 0 | 115.4 | G60 L73 | G60-D76 WeakPolarHBondContact CA-OD1 3.43Å; G60-D76 PolarHBondContact N-OD1 3.06Å; L73-D76 PolarHBondContact O-N 3.2Å |
| 77 | E | 82.4 | Confident | 87.6 | Confident | 114 Ų | 114 | 71.5 Ų | 71.5 | 53% | 0.533 | 38% | 0.382 | S | S | . | . | trans | -108.6 | 137.3 | -177.5 | -69.1 | -171 | -175.8 | 0 | 0 | 112.6 | D75 S79 S80 | D75-E77 PolarHBondContact O-N 2.74Å; E77-S79 WeakPolarHBondContact CB-OG 3.39Å; E77-S79 PolarHBondContact O-N 2.84Å; E77-S79 VanDerWaalsContact O-N 3.16Å; E77-S79 PolarHBondContact OE2-OG 2.76Å; E77-S80 WeakPolarHBondContact O-CB 3.4Å; E77-S80 PolarHBondContact O-N 3.17Å; E77-S80 VanDerWaalsContact O-N 3.16Å; E77-S80 PolarHBondContact O-OG 3.39Å | ||
| 78 | V | 86.1 | Confident | 87.4 | Confident | 10 Ų | 10 | 69.7 Ų | 69.7 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -59.5 | -24.9 | 170.3 | 178.1 | 0 | 0 | 0 | 0 | 112.3 | K35 A45 L48 I52 S80 L81 | K35-V78 VanDerWaalsContact CE-O 3.24Å; K35-V78 WeakPolarHBondContact CE-O 3.35Å; K35-V78 HydrophobicContact CG-CG1 4.14Å; A45-V78 HydrophobicContact CB-CG1 4.14Å; L48-V78 HydrophobicContact CB-CG1 3.72Å; L48-V78 HydrophobicContact CB-CG2 3.96Å; L48-V78 HydrophobicContact CD1-CG1 4.03Å; I52-V78 HydrophobicContact CD1-CG2 3.35Å; V78-S80 PolarHBondContact O-N 3.15Å; V78-L81 PolarHBondContact O-N 3.46Å |
| 79 | S | 85.7 | Confident | 87.2 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 49% | 0.49 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -58.2 | -33.7 | 178.1 | 64.1 | 0 | 0 | 0 | 0 | 111.9 | K35 E77 L81 | K35-S79 PolarHBondContact NZ-O 3.16Å; K35-S79 VanDerWaalsContact NZ-O 3.17Å; E77-S79 WeakPolarHBondContact CB-OG 3.39Å; E77-S79 PolarHBondContact O-N 2.84Å; E77-S79 VanDerWaalsContact O-N 3.16Å; E77-S79 PolarHBondContact OE2-OG 2.76Å; S79-L81 VanDerWaalsContact C-N 3.3Å; S79-L81 PolarHBondContact O-N 3.22Å |
| 80 | S | 86.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 64 Ų | 64 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -68.2 | -23.9 | -178.1 | 69.2 | 0 | 0 | 0 | 0 | 114 | E77 V78 | E77-S80 WeakPolarHBondContact O-CB 3.4Å; E77-S80 PolarHBondContact O-N 3.17Å; E77-S80 VanDerWaalsContact O-N 3.16Å; E77-S80 PolarHBondContact O-OG 3.39Å; V78-S80 PolarHBondContact O-N 3.15Å |
| 81 | L | 90.9 | Very high | 86.6 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -69.5 | 143.4 | 179.1 | -71.9 | 171.1 | 0 | 0 | 0 | 111.4 | K35 L37 L48 I62 T71 L73 V78 S79 | K35-L81 HydrophobicContact CB-CB 4.34Å; K35-L81 HydrophobicContact CD-CB 3.98Å; K35-L81 WeakPolarHBondContact CD-O 3.17Å; K35-L81 HydrophobicContact CG-CB 4.49Å; K35-L81 PolarHBondContact NZ-O 3.12Å; L37-L81 HydrophobicContact CD2-CD1 3.92Å; L48-L81 HydrophobicContact CD1-CD1 3.68Å; I62-L81 HydrophobicContact CD1-CD1 3.96Å; T71-L81 HydrophobicContact CG2-CD2 3.75Å; L73-L81 HydrophobicContact CD2-CD1 3.88Å; L73-L81 HydrophobicContact CD2-CD2 4.01Å; L73-L81 HydrophobicContact CD2-CG 3.7Å; V78-L81 PolarHBondContact O-N 3.46Å; S79-L81 VanDerWaalsContact C-N 3.3Å; S79-L81 PolarHBondContact O-N 3.22Å |
| 82 | P | 92.9 | Very high | 86.1 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 141.1 | 178.4 | 25.7 | -32.6 | 0 | 0 | 0 | 111.7 | K35 V36 | K35-P82 WeakPolarHBondContact CA-O 3.15Å; V36-P82 HydrophobicContact CB-CG 4.33Å; V36-P82 PolarHBondContact N-O 3.35Å |
| 83 | D | 94.7 | Very high | 85.3 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 21% | 0.209 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -83.1 | 146 | 171.1 | -66.8 | -26.2 | 0 | 0 | 0 | 110.4 | K33 P34 K35 N85 L88 | K33-D83 IonicContact NZ-OD2 3.22Å; P34-D83 CarbonylContact O-C 3.51Å; P34-D83 WeakPolarHBondContact O-CA 3.31Å; K35-D83 WeakPolarHBondContact CD-OD1 3.36Å; K35-D83 WeakPolarHBondContact CE-OD1 3.47Å; K35-D83 IonicContact NZ-OD1 2.83Å; K35-D83 PolarHBondContact NZ-OD1 3.05Å; D83-N85 PolarHBondContact O-N 2.92Å; D83-N85 VanDerWaalsContact O-N 3.16Å; D83-L88 HydrophobicContact CB-CD1 3.61Å |
| 84 | D | 93.9 | Very high | 84.4 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.102 | 39% | 0.392 | C | S | . | . | trans | -76.6 | 99.9 | 168 | -168.1 | -45.7 | 0 | 0 | 0 | 110.3 | P34 V36 R42 N86 I87 L88 | P34-D84 HydrophobicContact CB-CB 4.08Å; P34-D84 HydrophobicContact CG-CB 3.99Å; P34-D84 PolarHBondContact O-N 3.43Å; V36-D84 HydrophobicContact CG2-CB 3.87Å; R42-D84 IonicContact CZ-OD2 2.83Å; R42-D84 IonicContact NE-OD2 3.65Å; R42-D84 PolarHBondContact NE-OD2 3.48Å; R42-D84 IonicContact NH2-OD2 2.72Å; R42-D84 PolarHBondContact NH2-OD2 3.08Å; D84-N86 VanDerWaalsContact C-N 3.28Å; D84-N86 PolarHBondContact O-N 3.28Å; D84-N86 VanDerWaalsContact OD1-CB 3.31Å; D84-N86 WeakPolarHBondContact OD1-CB 3.46Å; D84-N86 PolarHBondContact OD1-N 3.29Å; D84-I87 HydrophobicContact CB-CB 4.47Å; D84-I87 HydrophobicContact CB-CD1 4.26Å; D84-I87 HydrophobicContact CB-CG1 4.43Å; D84-I87 PolarHBondContact O-N 3.16Å; D84-I87 PolarHBondContact OD1-N 3.49Å; D84-L88 WeakPolarHBondContact O-CG 3.2Å; D84-L88 PolarHBondContact O-N 3.22Å; D84-L88 VanDerWaalsContact O-N 3.1Å | ||
| 85 | N | 91 | Very high | 83.7 | Confident | 109 Ų | 109 | 63 Ų | 63 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.1 | -26.7 | -178.6 | -69.1 | -31.8 | 0 | 0 | 0 | 113.6 | D83 L88 L89 | D83-N85 PolarHBondContact O-N 2.92Å; D83-N85 VanDerWaalsContact O-N 3.16Å; N85-L88 PolarHBondContact O-N 2.83Å; N85-L89 VanDerWaalsContact O-CB 3.32Å; N85-L89 WeakPolarHBondContact O-CB 3.32Å; N85-L89 WeakPolarHBondContact O-CG 3.41Å; N85-L89 PolarHBondContact O-N 3.29Å |
| 86 | N | 89.3 | Confident | 82.5 | Confident | 102 Ų | 102 | 66.6 Ų | 66.6 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.2 | -48.2 | 178.9 | -174.1 | -30.1 | 0 | 0 | 0 | 109.7 | D84 L88 L89 N90 | D84-N86 VanDerWaalsContact C-N 3.28Å; D84-N86 PolarHBondContact O-N 3.28Å; D84-N86 VanDerWaalsContact OD1-CB 3.31Å; D84-N86 WeakPolarHBondContact OD1-CB 3.46Å; D84-N86 PolarHBondContact OD1-N 3.29Å; N86-L88 PolarHBondContact O-N 2.82Å; N86-L89 PolarHBondContact O-N 2.81Å; N86-N90 PolarHBondContact O-N 3Å; N86-N90 PolarHBondContact O-ND2 3.34Å; N86-N90 VanDerWaalsContact O-ND2 3.16Å; N86-N90 PolarHBondContact OD1-ND2 2.88Å |
| 87 | I | 90 | Very high | 81.6 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 5% | 0.046 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 175.5 | -63.1 | 176.5 | 0 | 0 | 0 | 110.5 | L18 Y27 P34 D84 L89 N90 L91 | L18-I87 HydrophobicContact CD2-CG2 3.86Å; Y27-I87 HydrophobicContact CD2-CD1 4.24Å; Y27-I87 HydrophobicContact CD2-CG2 3.72Å; Y27-I87 HydrophobicContact CE2-CD1 4.01Å; Y27-I87 HydrophobicContact CG-CG2 4.11Å; P34-I87 HydrophobicContact CB-CB 4.43Å; P34-I87 HydrophobicContact CB-CD1 4.03Å; P34-I87 HydrophobicContact CB-CG2 4.29Å; P34-I87 HydrophobicContact CG-CB 3.83Å; P34-I87 HydrophobicContact CG-CD1 4.37Å; P34-I87 HydrophobicContact CG-CG2 3.74Å; D84-I87 HydrophobicContact CB-CB 4.47Å; D84-I87 HydrophobicContact CB-CD1 4.26Å; D84-I87 HydrophobicContact CB-CG1 4.43Å; D84-I87 PolarHBondContact O-N 3.16Å; D84-I87 PolarHBondContact OD1-N 3.49Å; I87-L89 VanDerWaalsContact C-N 3.32Å; I87-L89 PolarHBondContact O-N 3.11Å; I87-N90 PolarHBondContact O-N 3.39Å; I87-L91 HydrophobicContact CG2-CD1 3.98Å; I87-L91 HydrophobicContact CG2-CG 4.39Å; I87-L91 VanDerWaalsContact O-CG 3.23Å; I87-L91 WeakPolarHBondContact O-CG 3.49Å; I87-L91 PolarHBondContact O-N 3.45Å |
| 88 | L | 90.5 | Very high | 79.9 | Confident | 22 Ų | 22 | 69.7 Ų | 69.7 | 12% | 0.115 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 177.9 | -69 | 178.8 | 0 | 0 | 0 | 112.8 | L29 K33 P34 D83 D84 N85 N86 L91 A92 | L29-L88 HydrophobicContact CD2-CB 4.18Å; L29-L88 HydrophobicContact CD2-CD2 3.51Å; L29-L88 HydrophobicContact CD2-CG 4.42Å; K33-L88 HydrophobicContact CG-CD2 4.38Å; P34-L88 HydrophobicContact CG-CD2 4.32Å; P34-L88 HydrophobicContact CG-CG 4.28Å; D83-L88 HydrophobicContact CB-CD1 3.61Å; D84-L88 WeakPolarHBondContact O-CG 3.2Å; D84-L88 PolarHBondContact O-N 3.22Å; D84-L88 VanDerWaalsContact O-N 3.1Å; N85-L88 PolarHBondContact O-N 2.83Å; N86-L88 PolarHBondContact O-N 2.82Å; L88-L91 HydrophobicContact CD2-CD1 4.43Å; L88-L91 PolarHBondContact O-N 3.34Å; L88-A92 WeakPolarHBondContact O-CB 3.49Å; L88-A92 PolarHBondContact O-N 3.09Å |
| 89 | L | 88.3 | Confident | 77.7 | Confident | 109 Ų | 109 | 78.8 Ų | 78.8 | 57% | 0.571 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.8 | -42.4 | 176.5 | -74.2 | 170.4 | 0 | 0 | 0 | 111.7 | N85 N86 I87 L91 A92 C93 | N85-L89 VanDerWaalsContact O-CB 3.32Å; N85-L89 WeakPolarHBondContact O-CB 3.32Å; N85-L89 WeakPolarHBondContact O-CG 3.41Å; N85-L89 PolarHBondContact O-N 3.29Å; N86-L89 PolarHBondContact O-N 2.81Å; I87-L89 VanDerWaalsContact C-N 3.32Å; I87-L89 PolarHBondContact O-N 3.11Å; L89-L91 VanDerWaalsContact C-N 3.29Å; L89-L91 PolarHBondContact O-N 3.32Å; L89-A92 PolarHBondContact O-N 3.5Å; L89-C93 WeakPolarHBondContact O-CB 3.5Å; L89-C93 PolarHBondContact O-N 3.33Å; L89-C93 PolarHBondContact O-SG 3.33Å |
| 90 | N | 86.4 | Confident | 75.7 | Confident | 80 Ų | 80 | 80.6 Ų | 80.6 | 43% | 0.428 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 174.8 | -71.1 | -34.9 | 0 | 0 | 0 | 111.5 | L18 N86 I87 C93 G94 | L18-N90 HydrophobicContact CD2-CB 4.08Å; N86-N90 PolarHBondContact O-N 3Å; N86-N90 PolarHBondContact O-ND2 3.34Å; N86-N90 VanDerWaalsContact O-ND2 3.16Å; N86-N90 PolarHBondContact OD1-ND2 2.88Å; I87-N90 PolarHBondContact O-N 3.39Å; N90-C93 PolarHBondContact O-N 3.05Å; N90-G94 PolarHBondContact O-N 3.29Å; N90-G94 VanDerWaalsContact O-N 3.13Å |
| 91 | L | 86.3 | Confident | 73.4 | Confident | 47 Ų | 47 | 84.2 Ų | 84.2 | 25% | 0.246 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 175 | -67.9 | 167 | 0 | 0 | 0 | 112.3 | Y27 L29 I87 L88 L89 | Y27-L91 VanDerWaalsContact O-CD2 3.31Å; Y27-L91 WeakPolarHBondContact O-CD2 3.46Å; L29-L91 HydrophobicContact CD2-CB 4.22Å; I87-L91 HydrophobicContact CG2-CD1 3.98Å; I87-L91 HydrophobicContact CG2-CG 4.39Å; I87-L91 VanDerWaalsContact O-CG 3.23Å; I87-L91 WeakPolarHBondContact O-CG 3.49Å; I87-L91 PolarHBondContact O-N 3.45Å; L88-L91 HydrophobicContact CD2-CD1 4.43Å; L88-L91 PolarHBondContact O-N 3.34Å; L89-L91 VanDerWaalsContact C-N 3.29Å; L89-L91 PolarHBondContact O-N 3.32Å |
| 92 | A | 83.6 | Confident | 71 | Confident | 61 Ų | 61 | 89 Ų | 89 | 50% | 0.504 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.9 | -33.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L88 L89 | L88-A92 WeakPolarHBondContact O-CB 3.49Å; L88-A92 PolarHBondContact O-N 3.09Å; L89-A92 PolarHBondContact O-N 3.5Å |
| 93 | C | 73.4 | Confident | 68.4 | Low | 60 Ų | 60 | 92 Ų | 92 | 41% | 0.405 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -86.2 | -11.9 | -178.2 | -61.9 | 0 | 0 | 0 | 0 | 113.8 | L89 N90 G95 | L89-C93 WeakPolarHBondContact O-CB 3.5Å; L89-C93 PolarHBondContact O-N 3.33Å; L89-C93 PolarHBondContact O-SG 3.33Å; N90-C93 PolarHBondContact O-N 3.05Å; C93-G95 PolarHBondContact O-N 3.22Å |
| 94 | G | 64.2 | Low | 65.5 | Low | 70 Ų | 70 | 95.6 Ų | 95.6 | 72% | 0.722 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -9.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N90 | N90-G94 PolarHBondContact O-N 3.29Å; N90-G94 VanDerWaalsContact O-N 3.13Å |
| 95 | G | 56.2 | Low | 63.2 | Low | 59 Ų | 59 | 100.6 Ų | 100.6 | 61% | 0.608 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -102.1 | 104.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C93 | C93-G95 PolarHBondContact O-N 3.22Š|
| 96 | K | 47.8 | Very low | 61.1 | Low | 194 Ų | 194 | 100 Ų | 100 | 84% | 0.843 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 67.3 | 97.9 | 178.9 | -71.4 | 172 | 167.9 | 169 | 0 | 115.3 | K98 | K96-K98 PolarHBondContact O-N 2.66Š|
| 97 | G | 52.6 | Low | 58.7 | Low | 88 Ų | 88 | 102.9 Ų | 102.9 | 91% | 0.907 | 60% | 0.603 | S | S | * | * | S | Bend | 45.3 | 32.1 | 121.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||
| 98 | K | 47.7 | Very low | 56.4 | Low | 179 Ų | 179 | 110.5 Ų | 110.5 | 78% | 0.778 | 64% | 0.643 | S | S | * | * | trans | -138.2 | 103.5 | 167.1 | -74.6 | -173.9 | 177.7 | 179.5 | 0 | 106.9 | K96 C100 | K96-K98 PolarHBondContact O-N 2.66Å; K98-C100 PolarHBondContact O-N 3.44Å | ||
| 99 | K | 39.4 | Very low | 53.8 | Low | 202 Ų | 202 | 115.8 Ų | 115.8 | 88% | 0.878 | 67% | 0.671 | S | S | * | * | trans | -52.4 | 106.5 | 158.8 | -66.9 | 175.4 | 179 | 178.8 | 0 | 106.1 | L101 | K99-L101 PolarHBondContact O-N 3.01Š| ||
| 100 | C | 43.3 | Very low | 51.4 | Low | 108 Ų | 108 | 117.2 Ų | 117.2 | 73% | 0.73 | 68% | 0.679 | S | S | * | * | trans | -80.2 | 71 | 159.6 | -153.4 | 0 | 0 | 0 | 0 | 105.9 | K98 P102 | K98-C100 PolarHBondContact O-N 3.44Å; C100-P102 VanDerWaalsContact O-CD 3.28Å; C100-P102 WeakPolarHBondContact O-CD 3.33Å | ||
| 101 | L | 39.6 | Very low | 49.4 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 61% | 0.607 | 69% | 0.685 | S | S | * | * | trans | -75.8 | 116.9 | 163.3 | -176.9 | 67.8 | 0 | 0 | 0 | 105.2 | K99 D103 | K99-L101 PolarHBondContact O-N 3.01Å; L101-D103 VanDerWaalsContact C-N 3.28Å; L101-D103 PolarHBondContact O-N 3.32Å | ||
| 102 | P | 39.3 | Very low | 47.3 | Very low | 112 Ų | 112 | 120.9 Ų | 120.9 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -65.3 | 103.7 | 152.5 | 27.5 | -26.9 | 0 | 0 | 0 | 105.5 | C100 N104 | C100-P102 VanDerWaalsContact O-CD 3.28Å; C100-P102 WeakPolarHBondContact O-CD 3.33Å; P102-N104 PolarHBondContact O-N 3.27Å | ||
| 103 | D | 39.1 | Very low | 45.3 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -72.9 | 75.3 | 178.3 | -149 | 13.8 | 0 | 0 | 0 | 108.3 | L101 | L101-D103 VanDerWaalsContact C-N 3.28Å; L101-D103 PolarHBondContact O-N 3.32Å |
| 104 | N | 33.9 | Very low | 43.8 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | trans | -169.2 | 116.4 | 154.5 | -151.6 | -33.3 | 0 | 0 | 0 | 111.8 | P102 T106 | P102-N104 PolarHBondContact O-N 3.27Å; N104-T106 VanDerWaalsContact C-N 3.32Å; N104-T106 PolarHBondContact O-N 3.41Å; N104-T106 PolarHBondContact OD1-N 3.29Å; N104-T106 PolarHBondContact OD1-OG1 2.92Å | ||
| 105 | P | 45.8 | Very low | 42.8 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | trans | -92.1 | 57.4 | 170.4 | 38.2 | -30.9 | 0 | 0 | 0 | 109.9 | ||||
| 106 | T | 46.3 | Very low | 42.3 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -159.2 | 129.1 | 168.5 | -22.6 | 0 | 0 | 0 | 0 | 110.9 | N104 | N104-T106 VanDerWaalsContact C-N 3.32Å; N104-T106 PolarHBondContact O-N 3.41Å; N104-T106 PolarHBondContact OD1-N 3.29Å; N104-T106 PolarHBondContact OD1-OG1 2.92Å |
| 107 | E | 38.5 | Very low | 42 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | trans | 84.6 | 87.9 | 162.3 | -46.4 | -151 | 160.4 | 0 | 0 | 117.9 | L109 | E107-L109 PolarHBondContact O-N 3.09Š| ||
| 108 | L | 41.5 | Very low | 41.6 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 89% | 0.885 | 73% | 0.727 | S | S | * | * | trans | -63.3 | 84.5 | 148.6 | -86 | 156.6 | 0 | 0 | 0 | 108.7 | L110 | L108-L110 VanDerWaalsContact C-N 3.29Å; L108-L110 PolarHBondContact O-N 3.39Å | ||
| 109 | L | 37.5 | Very low | 41.7 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | trans | -73 | 87.9 | 173.3 | -149.7 | 164.4 | 0 | 0 | 0 | 108.4 | E107 T111 | E107-L109 PolarHBondContact O-N 3.09Å; L109-T111 HydrophobicContact CD2-CG2 4.26Å; L109-T111 PolarHBondContact O-N 3.1Å | ||
| 110 | L | 37 | Very low | 41.6 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | -61.5 | 100.9 | 171 | -73.5 | 160.8 | 0 | 0 | 0 | 108.3 | L108 | L108-L110 VanDerWaalsContact C-N 3.29Å; L108-L110 PolarHBondContact O-N 3.39Å | ||
| 111 | T | 45 | Very low | 41.6 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 56% | 0.564 | 72% | 0.719 | S | S | * | * | trans | -71.6 | 135.9 | 172.1 | 32.4 | 0 | 0 | 0 | 0 | 109.9 | L109 K113 R114 | L109-T111 HydrophobicContact CD2-CG2 4.26Å; L109-T111 PolarHBondContact O-N 3.1Å; T111-K113 PolarHBondContact O-N 3.14Å; T111-R114 PolarHBondContact O-N 3.16Å | ||
| 112 | P | 42.3 | Very low | 41.2 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -65.8 | -9.8 | -166.6 | 22.4 | -32.3 | 0 | 0 | 0 | 114.9 | R114 | P112-R114 VanDerWaalsContact C-N 3.29Å; P112-R114 PolarHBondContact O-N 2.63Å |
| 113 | K | 41.2 | Very low | 41.3 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -71.2 | -17.5 | 178.3 | -92.4 | -179.8 | 174.4 | 174.6 | 0 | 114.5 | T111 | T111-K113 PolarHBondContact O-N 3.14Š|
| 114 | R | 42.3 | Very low | 41.1 | Very low | 212 Ų | 212 | 130.4 Ų | 130.4 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -97.3 | -12.1 | 179 | -68 | -149.1 | 139.6 | -145.5 | -6.7 | 114.7 | T111 P112 | T111-R114 PolarHBondContact O-N 3.16Å; P112-R114 VanDerWaalsContact C-N 3.29Å; P112-R114 PolarHBondContact O-N 2.63Å |
| 115 | L | 42.6 | Very low | 41.5 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 54% | 0.539 | 74% | 0.738 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.6 | -25.2 | 178.8 | -138.9 | 79.7 | 0 | 0 | 0 | 112.9 | S117 L118 | L115-S117 PolarHBondContact O-N 2.88Å; L115-L118 PolarHBondContact O-N 3.5Å; L115-L118 VanDerWaalsContact O-N 3.12Å |
| 116 | A | 44.8 | Very low | 41.3 | Very low | 82 Ų | 82 | 129 Ų | 129 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -21.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L118 | A116-L118 VanDerWaalsContact C-N 3.34Š|
| 117 | S | 41.9 | Very low | 41.4 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -11.4 | 176.1 | -173.1 | 0 | 0 | 0 | 0 | 113.6 | L115 | L115-S117 PolarHBondContact O-N 2.88Š|
| 118 | L | 45.3 | Very low | 41.9 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -98.3 | -4.8 | -179 | -76.1 | 154.9 | 0 | 0 | 0 | 112.6 | L115 A116 | L115-L118 PolarHBondContact O-N 3.5Å; L115-L118 VanDerWaalsContact O-N 3.12Å; A116-L118 VanDerWaalsContact C-N 3.34Å |
| 119 | V | 49.8 | Very low | 42.1 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | trans | -123.5 | 90.4 | -176.2 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 120 | S | 36.3 | Very low | 42.6 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -161.2 | 152.2 | 145 | -87.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 121 | P | 43.7 | Very low | 42.7 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | -117.5 | 143.7 | -123.5 | 36.4 | -26.3 | 0 | 0 | 0 | 113 | |||||
| 122 | S | 31.1 | Very low | 42.7 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -161.7 | 110.9 | 153.3 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 123 | H | 41.3 | Very low | 42.9 | Very low | 178 Ų | 178 | 131.9 Ų | 131.9 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | trans | 21.8 | 113.2 | 140.1 | -45 | -80.7 | 0 | 0 | 0 | 116.2 | ||||
| 124 | T | 35.8 | Very low | 43 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | -163.9 | 132.4 | 55.5 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 125 | S | 41.2 | Very low | 43 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | 51.5 | 124 | 157.1 | 74.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 126 | S | 42.8 | Very low | 42.8 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | cis | -164.6 | 138.6 | 22.3 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 127 | N | 47.1 | Very low | 42 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | 62.6 | 70.4 | 153.4 | -53.4 | -39.4 | 0 | 0 | 0 | 120.7 | ||||
| 128 | C | 48.8 | Very low | 41.3 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | -101.3 | 113.9 | 154.7 | -66.6 | 0 | 0 | 0 | 0 | 109.6 | V130 | C128-V130 PolarHBondContact O-N 3.31Š| ||
| 129 | L | 45.9 | Very low | 40.2 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -88.1 | 103.1 | 175.4 | -137.8 | 160.2 | 0 | 0 | 0 | 108 | I131 | L129-I131 HydrophobicContact CD2-CG1 3.93Š| ||
| 130 | V | 49.5 | Very low | 39 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | trans | -88.1 | 108.1 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | C128 T132 | C128-V130 PolarHBondContact O-N 3.31Å; V130-T132 HydrophobicContact CG1-CG2 4.37Å | ||
| 131 | I | 37.8 | Very low | 39 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | trans | -93.1 | 101.3 | 173.9 | -56.1 | 173.2 | 0 | 0 | 0 | 107.6 | L129 I133 | L129-I131 HydrophobicContact CD2-CG1 3.93Å; I131-I133 HydrophobicContact CG2-CG1 4.3Å | ||
| 132 | T | 44.5 | Very low | 38.2 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | trans | -86.1 | 108.6 | 165.8 | 39.2 | 0 | 0 | 0 | 0 | 109 | V130 M134 | V130-T132 HydrophobicContact CG1-CG2 4.37Å; T132-M134 PolarHBondContact O-N 2.78Å; T132-M134 VanDerWaalsContact O-N 3.17Å | ||
| 133 | I | 48.2 | Very low | 37.8 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -74.7 | 102.7 | 168.5 | -56.9 | 173.3 | 0 | 0 | 0 | 106.6 | I131 E135 | I131-I133 HydrophobicContact CG2-CG1 4.3Å; I133-E135 PolarHBondContact O-N 2.89Å | ||
| 134 | M | 41.6 | Very low | 37.1 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | -80.9 | 111.7 | 169.7 | -67.4 | -178.9 | 67.6 | 0 | 0 | 108 | T132 V136 | T132-M134 PolarHBondContact O-N 2.78Å; T132-M134 VanDerWaalsContact O-N 3.17Å; M134-V136 PolarHBondContact O-N 3.3Å | ||
| 135 | E | 42.1 | Very low | 36.6 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -70.9 | 118.2 | 167.4 | -167.6 | 170.4 | -177 | 0 | 0 | 108.5 | I133 Q137 | I133-E135 PolarHBondContact O-N 2.89Å; E135-Q137 PolarHBondContact O-N 3.2Å | ||
| 136 | V | 38.7 | Very low | 35.9 | Very low | 132 Ų | 132 | 142 Ų | 142 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -74.8 | 104.4 | 177.1 | 174.2 | 0 | 0 | 0 | 0 | 108.1 | M134 | M134-V136 PolarHBondContact O-N 3.3Š| ||
| 137 | Q | 28.6 | Very low | 35.4 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | -119.2 | 133.2 | 162.6 | -91.9 | -96.5 | 0.9 | 0 | 0 | 109.2 | E135 | E135-Q137 PolarHBondContact O-N 3.2Š| ||
| 138 | R | 27.8 | Very low | 34.6 | Very low | 199 Ų | 199 | 142 Ų | 142 | 75% | 0.751 | 77% | 0.774 | S | S | * | * | trans | -96.2 | 145.7 | -156.3 | -176.4 | -174.8 | -77 | 153.4 | -5.6 | 109.6 | ||||
| 139 | E | 22.8 | Very low | 33.6 | Very low | 167 Ų | 167 | 142 Ų | 142 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | 69.9 | 109.9 | 163.7 | -71.7 | 154.7 | -163 | 0 | 0 | 118.1 | ||||
| 140 | S | 23.8 | Very low | 32.9 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | 116.4 | 168.4 | 65.8 | 86.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 141 | P | 37.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | -129.7 | 163 | -102.2 | 37.8 | -20 | 0 | 0 | 0 | 116.6 | |||||
| 142 | Q | 25.8 | Very low | 31.2 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 166.3 | 146.1 | 149.4 | -97.2 | 161.4 | 33.4 | 0 | 0 | 109 | ||||
| 143 | T | 23.5 | Very low | 30.3 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | cis | -176.7 | 141.3 | -16.4 | 18.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 144 | L | 26.8 | Very low | 29.4 | Very low | 147 Ų | 147 | 152.4 Ų | 152.4 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | 78.1 | 106.5 | 141.8 | -139.4 | 74.2 | 0 | 0 | 0 | 122.9 | ||||
| 145 | N | 24.8 | Very low | 28.7 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | 76.7 | 139.5 | 128.5 | -63.7 | -0.2 | 0 | 0 | 0 | 126.2 | |||||
| 146 | S | 27.1 | Very low | 27.9 | Very low | 106 Ų | 106 | 146 Ų | 146 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 90.1 | 100.6 | 141.2 | 34.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 147 | T | 30.8 | Very low | 27.6 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | 28.2 | 149.9 | 127.7 | 45.4 | 0 | 0 | 0 | 0 | 124 | |||||
| 148 | P | 30.8 | Very low | 27.9 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -94.8 | 145.4 | -160.2 | 37.9 | -33.1 | 0 | 0 | 0 | 115 | ||||
| 149 | V | 27.5 | Very low | 28.1 | Very low | 125 Ų | 125 | 143 Ų | 143 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | trans | -105.6 | 123.7 | 168.6 | 164.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 150 | V | 30.6 | Very low | 28.6 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | trans | -74.1 | 115.7 | 167.2 | 172.1 | 0 | 0 | 0 | 0 | 107.5 | F152 | V150-F152 HydrophobicContact CG1-CD2 4.08Å; V150-F152 HydrophobicContact CG1-CE2 4.29Å | ||
| 151 | E | 25.1 | Very low | 29.3 | Very low | 157 Ų | 157 | 141 Ų | 141 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -118.3 | 102.9 | 173.5 | -163.9 | 142.4 | -173.6 | 0 | 0 | 109.7 | Y153 | E151-Y153 PolarHBondContact O-N 2.95Š| ||
| 152 | F | 27.2 | Very low | 29.1 | Very low | 195 Ų | 195 | 139.7 Ų | 139.7 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -66 | 118.2 | 164.7 | -93.3 | -98.2 | 0 | 0 | 0 | 108.5 | V150 | V150-F152 HydrophobicContact CG1-CD2 4.08Å; V150-F152 HydrophobicContact CG1-CE2 4.29Å | ||
| 153 | Y | 26.5 | Very low | 29.7 | Very low | 197 Ų | 197 | 136.5 Ų | 136.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -130.6 | 112 | 165.2 | -134.9 | -93.5 | 0 | 0 | 0 | 111 | E151 P155 | E151-Y153 PolarHBondContact O-N 2.95Å; Y153-P155 HydrophobicContact CD1-CG 4.11Å; Y153-P155 HydrophobicContact CE1-CG 4.24Å | ||
| 154 | R | 28.9 | Very low | 30.4 | Very low | 223 Ų | 223 | 135.7 Ų | 135.7 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | trans | -110.3 | 128.8 | 163.9 | 177.6 | -166.5 | -178.3 | 102.3 | -0.4 | 107 | ||||
| 155 | P | 26.8 | Very low | 31 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 60% | 0.597 | 74% | 0.737 | S | S | * | * | trans | -125.8 | 115.1 | 143.6 | 20 | -0.9 | 0 | 0 | 0 | 109.4 | Y153 | Y153-P155 HydrophobicContact CD1-CG 4.11Å; Y153-P155 HydrophobicContact CE1-CG 4.24Å | ||
| 156 | T | 25.3 | Very low | 31.5 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | 56.3 | 108 | 90.8 | 52.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 157 | S | 32.2 | Very low | 32 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | trans | 58.4 | 112.8 | 148.3 | 56.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 158 | F | 34.8 | Very low | 32.1 | Very low | 196 Ų | 196 | 133.1 Ų | 133.1 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | 61.5 | 101.3 | 89.2 | -97.5 | -90.7 | 0 | 0 | 0 | 113.7 | |||||
| 159 | D | 31.5 | Very low | 32.8 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | 178.7 | 148.8 | 104.6 | -88.7 | -31.2 | 0 | 0 | 0 | 110.9 | |||||
| 160 | S | 33.9 | Very low | 33.6 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | trans | 95.2 | 69.2 | 164.9 | -44.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 161 | V | 38 | Very low | 34.2 | Very low | 126 Ų | 126 | 127 Ų | 127 | 76% | 0.764 | 66% | 0.662 | S | S | * | * | trans | -149.1 | 76.2 | 130.9 | 179.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 162 | A | 34.1 | Very low | 35.4 | Very low | 82 Ų | 82 | 123.6 Ų | 123.6 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | trans | -124.3 | 57 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 163 | T | 36.7 | Very low | 36.2 | Very low | 117 Ų | 117 | 117.9 Ų | 117.9 | 72% | 0.718 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -140.3 | 3.2 | 170.7 | 26 | 0 | 0 | 0 | 0 | 113.9 | ||
| 164 | V | 39.8 | Very low | 37.3 | Very low | 105 Ų | 105 | 112.1 Ų | 112.1 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -115.1 | -19.5 | 173.3 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 165 | S | 39.3 | Very low | 38.7 | Very low | 71 Ų | 71 | 104.2 Ų | 104.2 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -78.7 | -25.1 | -179.1 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | N167 W168 T169 | S165-N167 PolarHBondContact O-N 3.35Å; S165-W168 PolarHBondContact O-N 2.9Å; S165-T169 PolarHBondContact O-N 3.23Å; S165-T169 PolarHBondContact O-OG1 3.46Å |
| 166 | H | 34.1 | Very low | 40.1 | Very low | 135 Ų | 135 | 103.9 Ų | 103.9 | 63% | 0.625 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.3 | -20.1 | -177.9 | -150.7 | -81.2 | 0 | 0 | 0 | 112.8 | V170 | H166-V170 WeakPolarHBondContact O-CB 3.37Å; H166-V170 WeakPolarHBondContact O-CG2 3.45Å |
| 167 | N | 38.8 | Very low | 41.7 | Very low | 103 Ų | 103 | 104.4 Ų | 104.4 | 55% | 0.551 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -85.1 | -33.7 | -175.9 | -35 | 10.8 | 0 | 0 | 0 | 109.7 | S165 W171 | S165-N167 PolarHBondContact O-N 3.35Å; N167-W171 PolarHBondContact O-N 2.92Å |
| 168 | W | 32.5 | Very low | 43.3 | Very low | 161 Ų | 161 | 102.9 Ų | 102.9 | 61% | 0.61 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -78.4 | -41.6 | -178.7 | -171.8 | -71.3 | 0 | 0 | 0 | 112 | S165 N172 | S165-W168 PolarHBondContact O-N 2.9Å; W168-N172 PolarHBondContact O-N 3.01Å |
| 169 | T | 46.2 | Very low | 44.7 | Very low | 77 Ų | 77 | 97.3 Ų | 97.3 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.7 | -37.5 | 178.8 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | S165 N172 C173 | S165-T169 PolarHBondContact O-N 3.23Å; S165-T169 PolarHBondContact O-OG1 3.46Å; T169-N172 PolarHBondContact O-N 3.28Å; T169-C173 PolarHBondContact O-N 3.32Å |
| 170 | V | 43 | Very low | 46.6 | Very low | 66 Ų | 66 | 93.9 Ų | 93.9 | 40% | 0.4 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.5 | -34.5 | 177.1 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | H166 T174 | H166-V170 WeakPolarHBondContact O-CB 3.37Å; H166-V170 WeakPolarHBondContact O-CG2 3.45Å; V170-T174 HydrophobicContact CG1-CG2 4.32Å; V170-T174 WeakPolarHBondContact O-CB 3.09Å; V170-T174 VanDerWaalsContact O-CG2 3.3Å; V170-T174 WeakPolarHBondContact O-CG2 3.46Å; V170-T174 PolarHBondContact O-N 2.83Å; V170-T174 PolarHBondContact O-OG1 3.06Å |
| 171 | W | 42.9 | Very low | 48.5 | Very low | 100 Ų | 100 | 91 Ų | 91 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 173.6 | -104 | 25 | 0 | 0 | 0 | 113.1 | Q31 N167 T174 S175 D241 | Q31-W171 VanDerWaalsContact NE2-CZ3 3.26Å; N167-W171 PolarHBondContact O-N 2.92Å; W171-T174 WeakPolarHBondContact CA-OG1 3.29Å; W171-T174 PolarHBondContact O-OG1 2.89Å; W171-T174 VanDerWaalsContact O-OG1 3.06Å; W171-S175 WeakPolarHBondContact O-CB 3.36Å; W171-S175 PolarHBondContact O-N 2.96Å; W171-D241 VanDerWaalsContact CH2-OD1 3.26Å; W171-D241 WeakPolarHBondContact CH2-OD1 3.17Å |
| 172 | N | 52 | Low | 50.4 | Low | 86 Ų | 86 | 88.7 Ų | 88.7 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.5 | -40.2 | 176.5 | -72.6 | -10.5 | 0 | 0 | 0 | 111.9 | W168 T169 S175 L176 | W168-N172 PolarHBondContact O-N 3.01Å; T169-N172 PolarHBondContact O-N 3.28Å; N172-S175 PolarHBondContact O-N 3.33Å; N172-L176 WeakPolarHBondContact O-CB 3.41Å; N172-L176 PolarHBondContact O-N 3.34Å |
| 173 | C | 42.5 | Very low | 52.5 | Low | 75 Ų | 75 | 93.3 Ų | 93.3 | 51% | 0.507 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 174.3 | -80 | 0 | 0 | 0 | 0 | 112.6 | T169 L176 L177 | T169-C173 PolarHBondContact O-N 3.32Å; C173-L176 PolarHBondContact O-N 3.36Å; C173-L177 VanDerWaalsContact O-CB 3.29Å; C173-L177 WeakPolarHBondContact O-CB 3.31Å; C173-L177 WeakPolarHBondContact O-CG 3.26Å; C173-L177 PolarHBondContact O-N 2.94Å |
| 174 | T | 50.3 | Low | 54.7 | Low | 75 Ų | 75 | 91.8 Ų | 91.8 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 178.3 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | V170 W171 F178 | V170-T174 HydrophobicContact CG1-CG2 4.32Å; V170-T174 WeakPolarHBondContact O-CB 3.09Å; V170-T174 VanDerWaalsContact O-CG2 3.3Å; V170-T174 WeakPolarHBondContact O-CG2 3.46Å; V170-T174 PolarHBondContact O-N 2.83Å; V170-T174 PolarHBondContact O-OG1 3.06Å; W171-T174 WeakPolarHBondContact CA-OG1 3.29Å; W171-T174 PolarHBondContact O-OG1 2.89Å; W171-T174 VanDerWaalsContact O-OG1 3.06Å; T174-F178 WeakPolarHBondContact O-CB 3.4Å; T174-F178 PolarHBondContact O-N 3.37Å |
| 175 | S | 57.5 | Low | 56.7 | Low | 58 Ų | 58 | 90.1 Ų | 90.1 | 41% | 0.406 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.7 | -37.2 | 174 | -173 | 0 | 0 | 0 | 0 | 112.8 | W171 N172 F178 Q179 | W171-S175 WeakPolarHBondContact O-CB 3.36Å; W171-S175 PolarHBondContact O-N 2.96Å; N172-S175 PolarHBondContact O-N 3.33Å; S175-F178 PolarHBondContact O-N 2.89Å; S175-Q179 WeakPolarHBondContact O-CB 2.87Å; S175-Q179 PolarHBondContact O-N 3.16Å |
| 176 | L | 57.3 | Low | 58.9 | Low | 85 Ų | 85 | 91.3 Ų | 91.3 | 45% | 0.445 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -72.3 | -43.8 | 177.6 | -165.6 | 76.1 | 0 | 0 | 0 | 111.8 | F54 N172 C173 F178 Q179 T180 | F54-L176 HydrophobicContact CE1-CD1 4.3Å; F54-L176 HydrophobicContact CZ-CD1 4.35Å; N172-L176 WeakPolarHBondContact O-CB 3.41Å; N172-L176 PolarHBondContact O-N 3.34Å; C173-L176 PolarHBondContact O-N 3.36Å; L176-F178 VanDerWaalsContact C-N 3.26Å; L176-F178 PolarHBondContact O-N 3.47Å; L176-Q179 PolarHBondContact O-N 3.32Å; L176-T180 WeakPolarHBondContact O-CB 3.44Å; L176-T180 VanDerWaalsContact O-CG2 3.26Å; L176-T180 WeakPolarHBondContact O-CG2 3.49Å; L176-T180 PolarHBondContact O-N 3.22Å; L176-T180 PolarHBondContact O-OG1 3.3Å |
| 177 | L | 58.3 | Low | 61.4 | Low | 117 Ų | 117 | 93.4 Ų | 93.4 | 61% | 0.613 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.1 | -34.5 | 172.4 | -69.8 | 175.8 | 0 | 0 | 0 | 111.5 | C173 T180 S181 | C173-L177 VanDerWaalsContact O-CB 3.29Å; C173-L177 WeakPolarHBondContact O-CB 3.31Å; C173-L177 WeakPolarHBondContact O-CG 3.26Å; C173-L177 PolarHBondContact O-N 2.94Å; L177-T180 VanDerWaalsContact C-OG1 3.31Å; L177-T180 VanDerWaalsContact CA-OG1 3.23Å; L177-T180 WeakPolarHBondContact CA-OG1 3.41Å; L177-T180 PolarHBondContact O-OG1 2.98Å; L177-S181 WeakPolarHBondContact O-CB 3.08Å; L177-S181 PolarHBondContact O-N 3.16Å; L177-S181 PolarHBondContact O-OG 3.18Å |
| 178 | F | 65.1 | Low | 63.6 | Low | 74 Ų | 74 | 93.4 Ų | 93.4 | 33% | 0.325 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.6 | -47.2 | 177 | -177.9 | -115.2 | 0 | 0 | 0 | 112 | T174 S175 L176 T180 S181 I182 Q233 | T174-F178 WeakPolarHBondContact O-CB 3.4Å; T174-F178 PolarHBondContact O-N 3.37Å; S175-F178 PolarHBondContact O-N 2.89Å; L176-F178 VanDerWaalsContact C-N 3.26Å; L176-F178 PolarHBondContact O-N 3.47Å; F178-T180 VanDerWaalsContact C-N 3.33Å; F178-T180 PolarHBondContact O-N 3.32Å; F178-S181 WeakPolarHBondContact CA-OG 3.36Å; F178-S181 PolarHBondContact O-N 3.3Å; F178-S181 VanDerWaalsContact O-N 3.14Å; F178-S181 PolarHBondContact O-OG 3.34Å; F178-I182 HydrophobicContact CD1-CD1 3.83Å; F178-I182 HydrophobicContact CD2-CD1 4.42Å; F178-I182 HydrophobicContact CE1-CD1 3.34Å; F178-I182 HydrophobicContact CE1-CG1 4.41Å; F178-I182 HydrophobicContact CE2-CD1 3.95Å; F178-I182 HydrophobicContact CE2-CG1 4.19Å; F178-I182 HydrophobicContact CG-CD1 4.35Å; F178-I182 HydrophobicContact CZ-CD1 3.41Å; F178-I182 VanDerWaalsContact CZ-CD1 3.41Å; F178-I182 HydrophobicContact CZ-CG1 4.1Å; F178-I182 WeakPolarHBondContact O-CG1 3.35Å; F178-I182 PolarHBondContact O-N 3.5Å; F178-Q233 VanDerWaalsContact CE2-CD 3.5Å |
| 179 | Q | 64.9 | Low | 66.1 | Low | 79 Ų | 79 | 87.5 Ų | 87.5 | 37% | 0.369 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 178.3 | -168.3 | 164.9 | -22.2 | 0 | 0 | 112.2 | F54 S175 L176 R183 | F54-Q179 HydrophobicContact CE1-CG 4.36Å; F54-Q179 VanDerWaalsContact CE1-NE2 3.3Å; F54-Q179 HydrophobicContact CZ-CG 4.19Å; S175-Q179 WeakPolarHBondContact O-CB 2.87Å; S175-Q179 PolarHBondContact O-N 3.16Å; L176-Q179 PolarHBondContact O-N 3.32Å; Q179-R183 WeakPolarHBondContact O-CB 3.37Å; Q179-R183 PolarHBondContact O-N 3.32Å; Q179-R183 VanDerWaalsContact O-N 3.15Å |
| 180 | T | 71.4 | Confident | 67.9 | Low | 69 Ų | 69 | 85.7 Ų | 85.7 | 42% | 0.423 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 170.4 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | L176 L177 F178 I182 R183 V184 | L176-T180 WeakPolarHBondContact O-CB 3.44Å; L176-T180 VanDerWaalsContact O-CG2 3.26Å; L176-T180 WeakPolarHBondContact O-CG2 3.49Å; L176-T180 PolarHBondContact O-N 3.22Å; L176-T180 PolarHBondContact O-OG1 3.3Å; L177-T180 VanDerWaalsContact C-OG1 3.31Å; L177-T180 VanDerWaalsContact CA-OG1 3.23Å; L177-T180 WeakPolarHBondContact CA-OG1 3.41Å; L177-T180 PolarHBondContact O-OG1 2.98Å; F178-T180 VanDerWaalsContact C-N 3.33Å; F178-T180 PolarHBondContact O-N 3.32Å; T180-I182 PolarHBondContact O-N 3.32Å; T180-R183 PolarHBondContact O-N 3.41Å; T180-V184 WeakPolarHBondContact O-CB 3.36Å; T180-V184 VanDerWaalsContact O-CG2 3.27Å; T180-V184 WeakPolarHBondContact O-CG2 3.27Å; T180-V184 PolarHBondContact O-N 2.98Å |
| 181 | S | 74.9 | Confident | 69.9 | Low | 49 Ų | 49 | 87.3 Ų | 87.3 | 34% | 0.343 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 177 | 76.2 | 0 | 0 | 0 | 0 | 112.7 | L177 F178 V184 L185 | L177-S181 WeakPolarHBondContact O-CB 3.08Å; L177-S181 PolarHBondContact O-N 3.16Å; L177-S181 PolarHBondContact O-OG 3.18Å; F178-S181 WeakPolarHBondContact CA-OG 3.36Å; F178-S181 PolarHBondContact O-N 3.3Å; F178-S181 VanDerWaalsContact O-N 3.14Å; F178-S181 PolarHBondContact O-OG 3.34Å; S181-V184 PolarHBondContact O-N 2.87Å; S181-L185 VanDerWaalsContact O-CB 3.28Å; S181-L185 WeakPolarHBondContact O-CB 3.34Å; S181-L185 PolarHBondContact O-N 3.38Å |
| 182 | I | 76.2 | Confident | 71.9 | Confident | 79 Ų | 79 | 86.3 Ų | 86.3 | 41% | 0.405 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 174.7 | -69.4 | 163.2 | 0 | 0 | 0 | 109.8 | F178 T180 V184 L185 V186 | F178-I182 HydrophobicContact CD1-CD1 3.83Å; F178-I182 HydrophobicContact CD2-CD1 4.42Å; F178-I182 HydrophobicContact CE1-CD1 3.34Å; F178-I182 HydrophobicContact CE1-CG1 4.41Å; F178-I182 HydrophobicContact CE2-CD1 3.95Å; F178-I182 HydrophobicContact CE2-CG1 4.19Å; F178-I182 HydrophobicContact CG-CD1 4.35Å; F178-I182 HydrophobicContact CZ-CD1 3.41Å; F178-I182 VanDerWaalsContact CZ-CD1 3.41Å; F178-I182 HydrophobicContact CZ-CG1 4.1Å; F178-I182 WeakPolarHBondContact O-CG1 3.35Å; F178-I182 PolarHBondContact O-N 3.5Å; T180-I182 PolarHBondContact O-N 3.32Å; I182-V184 PolarHBondContact O-N 3.4Å; I182-L185 PolarHBondContact O-N 2.85Å; I182-V186 HydrophobicContact CG2-CG2 4.4Å; I182-V186 VanDerWaalsContact O-CG2 3.27Å; I182-V186 WeakPolarHBondContact O-CG2 3.3Å; I182-V186 PolarHBondContact O-N 2.94Å |
| 183 | R | 79 | Confident | 73.4 | Confident | 179 Ų | 179 | 88.3 Ų | 88.3 | 68% | 0.675 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | -179.9 | -157.6 | 173.7 | -174.3 | -176 | 0.3 | 111.1 | Q179 T180 V186 W187 | Q179-R183 WeakPolarHBondContact O-CB 3.37Å; Q179-R183 PolarHBondContact O-N 3.32Å; Q179-R183 VanDerWaalsContact O-N 3.15Å; T180-R183 PolarHBondContact O-N 3.41Å; R183-V186 PolarHBondContact O-N 2.72Å; R183-W187 VanDerWaalsContact O-CD1 3.24Å; R183-W187 PolarHBondContact O-N 3.33Å |
| 184 | V | 82.4 | Confident | 75.5 | Confident | 84 Ų | 84 | 92.3 Ų | 92.3 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 175.1 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | T180 S181 I182 V186 W187 L188 | T180-V184 WeakPolarHBondContact O-CB 3.36Å; T180-V184 VanDerWaalsContact O-CG2 3.27Å; T180-V184 WeakPolarHBondContact O-CG2 3.27Å; T180-V184 PolarHBondContact O-N 2.98Å; S181-V184 PolarHBondContact O-N 2.87Å; I182-V184 PolarHBondContact O-N 3.4Å; V184-V186 VanDerWaalsContact C-N 3.35Å; V184-V186 PolarHBondContact O-N 3.06Å; V184-W187 WeakPolarHBondContact O-CB 3.29Å; V184-W187 PolarHBondContact O-N 3.48Å; V184-L188 HydrophobicContact CG1-CD1 4.17Å; V184-L188 HydrophobicContact CG1-CG 4.38Å; V184-L188 WeakPolarHBondContact O-CG 3.32Å; V184-L188 PolarHBondContact O-N 3.27Å |
| 185 | L | 82.8 | Confident | 77.1 | Confident | 71 Ų | 71 | 92.2 Ų | 92.2 | 37% | 0.372 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.9 | -99.2 | 158.4 | 0 | 0 | 0 | 111.7 | S181 I182 W187 L188 L189 L226 | S181-L185 VanDerWaalsContact O-CB 3.28Å; S181-L185 WeakPolarHBondContact O-CB 3.34Å; S181-L185 PolarHBondContact O-N 3.38Å; I182-L185 PolarHBondContact O-N 2.85Å; L185-W187 VanDerWaalsContact C-N 3.34Å; L185-W187 PolarHBondContact O-N 3.46Å; L185-L188 PolarHBondContact O-N 2.97Å; L185-L189 VanDerWaalsContact O-CB 3.3Å; L185-L189 WeakPolarHBondContact O-CB 3.38Å; L185-L189 PolarHBondContact O-N 3Å; L185-L226 HydrophobicContact CD1-CD2 4.33Å; L185-L226 HydrophobicContact CD2-CD2 4.06Å |
| 186 | V | 84.3 | Confident | 78.4 | Confident | 96 Ų | 96 | 89.9 Ų | 89.9 | 58% | 0.582 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 111 | I182 R183 V184 L189 G190 | I182-V186 HydrophobicContact CG2-CG2 4.4Å; I182-V186 VanDerWaalsContact O-CG2 3.27Å; I182-V186 WeakPolarHBondContact O-CG2 3.3Å; I182-V186 PolarHBondContact O-N 2.94Å; R183-V186 PolarHBondContact O-N 2.72Å; V184-V186 VanDerWaalsContact C-N 3.35Å; V184-V186 PolarHBondContact O-N 3.06Å; V186-L189 PolarHBondContact O-N 3.31Å; V186-G190 PolarHBondContact O-N 3.37Å |
| 187 | W | 87 | Confident | 79.7 | Confident | 179 Ų | 179 | 88.1 Ų | 88.1 | 68% | 0.678 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 174.3 | -88.8 | 100.2 | 0 | 0 | 0 | 112.5 | R183 V184 L185 L189 G190 L191 | R183-W187 VanDerWaalsContact O-CD1 3.24Å; R183-W187 PolarHBondContact O-N 3.33Å; V184-W187 WeakPolarHBondContact O-CB 3.29Å; V184-W187 PolarHBondContact O-N 3.48Å; L185-W187 VanDerWaalsContact C-N 3.34Å; L185-W187 PolarHBondContact O-N 3.46Å; W187-L189 VanDerWaalsContact C-N 3.34Å; W187-L189 PolarHBondContact O-N 3.49Å; W187-G190 PolarHBondContact O-N 3.49Å; W187-L191 WeakPolarHBondContact O-CG 3.15Å; W187-L191 PolarHBondContact O-N 2.94Å |
| 188 | L | 85.4 | Confident | 81 | Confident | 103 Ų | 103 | 86 Ų | 86 | 54% | 0.539 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 177 | -74.7 | 179 | 0 | 0 | 0 | 111.9 | V184 L185 G190 L191 L192 | V184-L188 HydrophobicContact CG1-CD1 4.17Å; V184-L188 HydrophobicContact CG1-CG 4.38Å; V184-L188 WeakPolarHBondContact O-CG 3.32Å; V184-L188 PolarHBondContact O-N 3.27Å; L185-L188 PolarHBondContact O-N 2.97Å; L188-G190 VanDerWaalsContact C-N 3.34Å; L188-L191 PolarHBondContact O-N 3Å; L188-L192 VanDerWaalsContact O-CB 3.24Å; L188-L192 WeakPolarHBondContact O-CB 3.29Å; L188-L192 PolarHBondContact O-N 3.15Å |
| 189 | L | 84.6 | Confident | 82 | Confident | 37 Ų | 37 | 86.4 Ų | 86.4 | 19% | 0.194 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.1 | -145.1 | 85.5 | 0 | 0 | 0 | 111.1 | L185 V186 W187 L192 Y193 L223 L226 | L185-L189 VanDerWaalsContact O-CB 3.3Å; L185-L189 WeakPolarHBondContact O-CB 3.38Å; L185-L189 PolarHBondContact O-N 3Å; V186-L189 PolarHBondContact O-N 3.31Å; W187-L189 VanDerWaalsContact C-N 3.34Å; W187-L189 PolarHBondContact O-N 3.49Å; L189-L192 PolarHBondContact O-N 3.36Å; L189-Y193 WeakPolarHBondContact O-CB 3.45Å; L189-Y193 PolarHBondContact O-N 2.99Å; L189-L223 HydrophobicContact CD2-CD2 3.26Å; L189-L223 HydrophobicContact CD2-CG 3.87Å; L189-L226 HydrophobicContact CD1-CD1 3.69Å; L189-L226 HydrophobicContact CD2-CD1 3.87Å; L189-L226 HydrophobicContact CG-CD1 4.33Å |
| 190 | G | 85.1 | Confident | 83 | Confident | 39 Ų | 39 | 82.6 Ų | 82.6 | 40% | 0.402 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V186 W187 L188 Y193 F194 | V186-G190 PolarHBondContact O-N 3.37Å; W187-G190 PolarHBondContact O-N 3.49Å; L188-G190 VanDerWaalsContact C-N 3.34Å; G190-Y193 WeakPolarHBondContact O-CB 3.44Å; G190-Y193 PolarHBondContact O-N 3.45Å; G190-F194 WeakPolarHBondContact O-CB 3.41Å; G190-F194 PolarHBondContact O-N 2.92Å |
| 191 | L | 84.5 | Confident | 83.8 | Confident | 100 Ų | 100 | 84 Ų | 84 | 52% | 0.524 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 174.9 | -71 | 171.8 | 0 | 0 | 0 | 112.1 | W187 L188 Y193 F194 S195 | W187-L191 WeakPolarHBondContact O-CG 3.15Å; W187-L191 PolarHBondContact O-N 2.94Å; L188-L191 PolarHBondContact O-N 3Å; L191-Y193 VanDerWaalsContact C-N 3.33Å; L191-F194 PolarHBondContact O-N 3.44Å; L191-S195 WeakPolarHBondContact O-CB 3.04Å; L191-S195 PolarHBondContact O-N 2.88Å; L191-S195 PolarHBondContact O-OG 3.48Å |
| 192 | L | 84.5 | Confident | 84.5 | Confident | 79 Ų | 79 | 89 Ų | 89 | 41% | 0.414 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 176.1 | -167.1 | 150 | 0 | 0 | 0 | 110.7 | L188 L189 S195 S196 | L188-L192 VanDerWaalsContact O-CB 3.24Å; L188-L192 WeakPolarHBondContact O-CB 3.29Å; L188-L192 PolarHBondContact O-N 3.15Å; L189-L192 PolarHBondContact O-N 3.36Å; L192-S195 PolarHBondContact O-N 2.94Å; L192-S196 WeakPolarHBondContact CD2-OG 3.27Å; L192-S196 WeakPolarHBondContact O-CA 3.23Å; L192-S196 WeakPolarHBondContact O-CB 3.19Å; L192-S196 PolarHBondContact O-N 3.45Å; L192-S196 PolarHBondContact O-OG 3.03Å |
| 193 | Y | 84.5 | Confident | 85 | Confident | 128 Ų | 128 | 86.1 Ų | 86.1 | 50% | 0.502 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 173.6 | 175.9 | -99.8 | 0 | 0 | 0 | 111.6 | L189 G190 L191 S195 S196 L197 V219 | L189-Y193 WeakPolarHBondContact O-CB 3.45Å; L189-Y193 PolarHBondContact O-N 2.99Å; G190-Y193 WeakPolarHBondContact O-CB 3.44Å; G190-Y193 PolarHBondContact O-N 3.45Å; L191-Y193 VanDerWaalsContact C-N 3.33Å; Y193-S195 PolarHBondContact O-N 3.28Å; Y193-S196 PolarHBondContact O-N 3.4Å; Y193-L197 HydrophobicContact CD1-CD1 4.16Å; Y193-L197 HydrophobicContact CD2-CD1 3.84Å; Y193-L197 HydrophobicContact CD2-CG 4.28Å; Y193-L197 HydrophobicContact CE1-CD1 3.63Å; Y193-L197 HydrophobicContact CE2-CD1 3.28Å; Y193-L197 HydrophobicContact CE2-CG 4.07Å; Y193-L197 HydrophobicContact CG-CD1 4.25Å; Y193-L197 PolarHBondContact O-N 3.08Å; Y193-L197 VanDerWaalsContact O-N 3.16Å; Y193-L197 WeakPolarHBondContact OH-CD1 3.26Å; Y193-V219 HydrophobicContact CD2-CG1 3.65Å; Y193-V219 HydrophobicContact CD2-CG2 4.4Å; Y193-V219 HydrophobicContact CE2-CG1 4Å |
| 194 | F | 85.3 | Confident | 85.4 | Confident | 158 Ų | 158 | 81 Ų | 81 | 69% | 0.693 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.1 | -30.3 | 179.1 | -169.6 | -98.6 | 0 | 0 | 0 | 112.4 | G190 L191 P198 | G190-F194 WeakPolarHBondContact O-CB 3.41Å; G190-F194 PolarHBondContact O-N 2.92Å; L191-F194 PolarHBondContact O-N 3.44Å; F194-P198 WeakPolarHBondContact O-CD 3.44Å; F194-P198 WeakPolarHBondContact O-CG 3.4Å |
| 195 | S | 83.2 | Confident | 85.7 | Confident | 74 Ų | 74 | 82.5 Ų | 82.5 | 52% | 0.517 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -87.9 | -34.4 | 179.6 | -52.6 | 0 | 0 | 0 | 0 | 113.3 | L191 L192 Y193 L199 | L191-S195 WeakPolarHBondContact O-CB 3.04Å; L191-S195 PolarHBondContact O-N 2.88Å; L191-S195 PolarHBondContact O-OG 3.48Å; L192-S195 PolarHBondContact O-N 2.94Å; Y193-S195 PolarHBondContact O-N 3.28Å; S195-L199 VanDerWaalsContact O-CB 3.3Å; S195-L199 WeakPolarHBondContact O-CB 3.29Å; S195-L199 PolarHBondContact O-N 2.94Å |
| 196 | S | 85.4 | Confident | 86 | Confident | 9 Ų | 9 | 81.3 Ų | 81.3 | 6% | 0.063 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -83.1 | -31 | -173 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | L192 Y193 G200 | L192-S196 WeakPolarHBondContact CD2-OG 3.27Å; L192-S196 WeakPolarHBondContact O-CA 3.23Å; L192-S196 WeakPolarHBondContact O-CB 3.19Å; L192-S196 PolarHBondContact O-N 3.45Å; L192-S196 PolarHBondContact O-OG 3.03Å; Y193-S196 PolarHBondContact O-N 3.4Å; S196-G200 WeakPolarHBondContact O-CA 3.21Å; S196-G200 PolarHBondContact O-N 2.98Å |
| 197 | L | 83.9 | Confident | 86.1 | Confident | 48 Ų | 48 | 86 Ų | 86 | 25% | 0.251 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.9 | -50.3 | 177 | -78.8 | 176.7 | 0 | 0 | 0 | 112.9 | Y193 L199 G200 I201 | Y193-L197 HydrophobicContact CD1-CD1 4.16Å; Y193-L197 HydrophobicContact CD2-CD1 3.84Å; Y193-L197 HydrophobicContact CD2-CG 4.28Å; Y193-L197 HydrophobicContact CE1-CD1 3.63Å; Y193-L197 HydrophobicContact CE2-CD1 3.28Å; Y193-L197 HydrophobicContact CE2-CG 4.07Å; Y193-L197 HydrophobicContact CG-CD1 4.25Å; Y193-L197 PolarHBondContact O-N 3.08Å; Y193-L197 VanDerWaalsContact O-N 3.16Å; Y193-L197 WeakPolarHBondContact OH-CD1 3.26Å; L197-L199 VanDerWaalsContact C-N 3.3Å; L197-L199 PolarHBondContact O-N 3.34Å; L197-G200 PolarHBondContact O-N 2.93Å; L197-I201 WeakPolarHBondContact O-CB 3.37Å; L197-I201 WeakPolarHBondContact O-CD1 3.28Å; L197-I201 WeakPolarHBondContact O-CG1 3.32Å; L197-I201 PolarHBondContact O-N 3.46Å |
| 198 | P | 87.7 | Confident | 86 | Confident | 73 Ų | 73 | 83.4 Ų | 83.4 | 47% | 0.474 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 176.9 | -19.4 | 31.8 | 0 | 0 | 0 | 111.7 | F194 Y202 | F194-P198 WeakPolarHBondContact O-CD 3.44Å; F194-P198 WeakPolarHBondContact O-CG 3.4Å; P198-Y202 WeakPolarHBondContact O-CB 3.28Å; P198-Y202 PolarHBondContact O-N 3.14Å |
| 199 | L | 84.9 | Confident | 86.1 | Confident | 81 Ų | 81 | 82.3 Ų | 82.3 | 42% | 0.424 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.7 | -41.5 | 179 | -168.8 | 65.3 | 0 | 0 | 0 | 111.8 | S195 L197 Y202 L203 F215 | S195-L199 VanDerWaalsContact O-CB 3.3Å; S195-L199 WeakPolarHBondContact O-CB 3.29Å; S195-L199 PolarHBondContact O-N 2.94Å; L197-L199 VanDerWaalsContact C-N 3.3Å; L197-L199 PolarHBondContact O-N 3.34Å; L199-Y202 PolarHBondContact O-N 2.82Å; L199-L203 HydrophobicContact CG-CD1 4.13Å; L199-L203 WeakPolarHBondContact O-CB 3.3Å; L199-L203 WeakPolarHBondContact O-CD1 3.5Å; L199-L203 WeakPolarHBondContact O-CG 3.45Å; L199-L203 PolarHBondContact O-N 3.44Å; L199-F215 HydrophobicContact CD2-CE1 4.32Å; L199-F215 HydrophobicContact CD2-CZ 4.21Å |
| 200 | G | 86.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S196 L197 L203 L204 | S196-G200 WeakPolarHBondContact O-CA 3.21Å; S196-G200 PolarHBondContact O-N 2.98Å; L197-G200 PolarHBondContact O-N 2.93Å; G200-L203 PolarHBondContact O-N 3.06Å; G200-L204 WeakPolarHBondContact O-CG 3.44Å; G200-L204 PolarHBondContact O-N 2.91Å |
| 201 | I | 87.6 | Confident | 86.3 | Confident | 99 Ų | 99 | 88 Ų | 88 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 175.5 | -64.1 | 163.2 | 0 | 0 | 0 | 110.7 | L197 L203 L204 V205 | L197-I201 WeakPolarHBondContact O-CB 3.37Å; L197-I201 WeakPolarHBondContact O-CD1 3.28Å; L197-I201 WeakPolarHBondContact O-CG1 3.32Å; L197-I201 PolarHBondContact O-N 3.46Å; I201-L203 VanDerWaalsContact C-N 3.31Å; I201-L203 PolarHBondContact O-N 2.68Å; I201-L204 WeakPolarHBondContact O-CB 3.27Å; I201-L204 PolarHBondContact O-N 3.43Å; I201-V205 WeakPolarHBondContact O-CG2 3.4Å; I201-V205 PolarHBondContact O-N 3.37Å |
| 202 | Y | 89.7 | Confident | 86.3 | Confident | 152 Ų | 152 | 83.3 Ų | 83.3 | 60% | 0.596 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.4 | -39.5 | 176.7 | 177.6 | -96.8 | 0 | 0 | 0 | 112.6 | P198 L199 V205 S206 | P198-Y202 WeakPolarHBondContact O-CB 3.28Å; P198-Y202 PolarHBondContact O-N 3.14Å; L199-Y202 PolarHBondContact O-N 2.82Å; Y202-V205 PolarHBondContact O-N 2.93Å; Y202-S206 WeakPolarHBondContact O-CB 3.15Å; Y202-S206 PolarHBondContact O-N 2.87Å; Y202-S206 PolarHBondContact O-OG 3.45Å |
| 203 | L | 87.8 | Confident | 86.4 | Confident | 19 Ų | 19 | 83.3 Ų | 83.3 | 10% | 0.099 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -71.9 | -34.2 | 177.7 | -71.9 | 168.6 | 0 | 0 | 0 | 112.8 | L199 G200 I201 V205 S206 K208 L211 F215 | L199-L203 HydrophobicContact CG-CD1 4.13Å; L199-L203 WeakPolarHBondContact O-CB 3.3Å; L199-L203 WeakPolarHBondContact O-CD1 3.5Å; L199-L203 WeakPolarHBondContact O-CG 3.45Å; L199-L203 PolarHBondContact O-N 3.44Å; G200-L203 PolarHBondContact O-N 3.06Å; I201-L203 VanDerWaalsContact C-N 3.31Å; I201-L203 PolarHBondContact O-N 2.68Å; L203-V205 VanDerWaalsContact C-N 3.32Å; L203-S206 PolarHBondContact O-N 2.85Å; L203-K208 HydrophobicContact CD2-CB 4.31Å; L203-K208 HydrophobicContact CD2-CD 4.24Å; L203-K208 CarbonylContact O-C 3.54Å; L203-K208 PolarHBondContact O-N 3.15Å; L203-L211 HydrophobicContact CD1-CB 4.37Å; L203-L211 HydrophobicContact CD1-CD2 3.63Å; L203-L211 HydrophobicContact CD1-CG 3.81Å; L203-L211 HydrophobicContact CD2-CD2 4.11Å; L203-L211 HydrophobicContact CG-CD2 4.48Å; L203-F215 HydrophobicContact CD1-CD2 3.97Å; L203-F215 HydrophobicContact CD1-CE2 4.18Å |
| 204 | L | 86.3 | Confident | 86.6 | Confident | 72 Ų | 72 | 80.9 Ų | 80.9 | 38% | 0.377 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61 | -42 | 170.5 | -73.7 | 167.6 | 0 | 0 | 0 | 111.1 | G200 I201 V209 V213 V216 | G200-L204 WeakPolarHBondContact O-CG 3.44Å; G200-L204 PolarHBondContact O-N 2.91Å; I201-L204 WeakPolarHBondContact O-CB 3.27Å; I201-L204 PolarHBondContact O-N 3.43Å; L204-V209 HydrophobicContact CD2-CG1 4Å; L204-V213 HydrophobicContact CD2-CG2 4.26Å; L204-V216 HydrophobicContact CD1-CG2 4.46Å |
| 205 | V | 89.9 | Confident | 86.6 | Confident | 116 Ų | 116 | 76 Ų | 76 | 70% | 0.703 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.8 | -37.1 | 175.1 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | I201 Y202 L203 K207 | I201-V205 WeakPolarHBondContact O-CG2 3.4Å; I201-V205 PolarHBondContact O-N 3.37Å; Y202-V205 PolarHBondContact O-N 2.93Å; L203-V205 VanDerWaalsContact C-N 3.32Å; V205-K207 PolarHBondContact O-N 3.22Å |
| 206 | S | 87.6 | Confident | 86.7 | Confident | 45 Ų | 45 | 75.3 Ų | 75.3 | 32% | 0.315 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 18.9 | -178.2 | -57.3 | 0 | 0 | 0 | 0 | 114.5 | Y202 L203 K208 | Y202-S206 WeakPolarHBondContact O-CB 3.15Å; Y202-S206 PolarHBondContact O-N 2.87Å; Y202-S206 PolarHBondContact O-OG 3.45Å; L203-S206 PolarHBondContact O-N 2.85Å; S206-K208 PolarHBondContact O-N 2.88Å; S206-K208 VanDerWaalsContact O-N 3.09Å |
| 207 | K | 86.6 | Confident | 86.7 | Confident | 194 Ų | 194 | 77.3 Ų | 77.3 | 84% | 0.843 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 15.7 | -176.9 | -61 | -169.2 | 175.4 | -179.3 | 0 | 115.4 | V205 V209 | V205-K207 PolarHBondContact O-N 3.22Å; K207-V209 VanDerWaalsContact C-N 3.34Å; K207-V209 PolarHBondContact O-N 3.26Å |
| 208 | K | 86.1 | Confident | 86.7 | Confident | 126 Ų | 126 | 78.9 Ų | 78.9 | 55% | 0.548 | 42% | 0.421 | S | S | . | . | trans | -96.6 | 61 | 172.5 | -68.6 | -165.7 | 178.4 | 82.9 | 0 | 110.2 | L203 S206 T210 L211 G212 | L203-K208 HydrophobicContact CD2-CB 4.31Å; L203-K208 HydrophobicContact CD2-CD 4.24Å; L203-K208 CarbonylContact O-C 3.54Å; L203-K208 PolarHBondContact O-N 3.15Å; S206-K208 PolarHBondContact O-N 2.88Å; S206-K208 VanDerWaalsContact O-N 3.09Å; K208-T210 PolarHBondContact O-N 2.79Å; K208-L211 PolarHBondContact O-N 3.47Å; K208-G212 PolarHBondContact O-N 3.37Å; K208-G212 VanDerWaalsContact O-N 3.11Å | ||
| 209 | V | 86.6 | Confident | 86.3 | Confident | 80 Ų | 80 | 76.2 Ų | 76.2 | 49% | 0.485 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | -168.4 | -173 | 0 | 0 | 0 | 0 | 112.3 | L204 K207 L211 G212 V213 | L204-V209 HydrophobicContact CD2-CG1 4Å; K207-V209 VanDerWaalsContact C-N 3.34Å; K207-V209 PolarHBondContact O-N 3.26Å; V209-L211 PolarHBondContact O-N 3.46Å; V209-G212 PolarHBondContact O-N 2.93Å; V209-V213 HydrophobicContact CG1-CG2 4.19Å; V209-V213 VanDerWaalsContact O-CG2 3.31Å; V209-V213 WeakPolarHBondContact O-CG2 3.45Å; V209-V213 PolarHBondContact O-N 2.78Å |
| 210 | T | 87.7 | Confident | 86.1 | Confident | 117 Ų | 117 | 75.6 Ų | 75.6 | 72% | 0.718 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.4 | -44.9 | -179.9 | -45.8 | 0 | 0 | 0 | 0 | 112.4 | K208 V214 | K208-T210 PolarHBondContact O-N 2.79Å; T210-V214 VanDerWaalsContact O-CG2 3.28Å; T210-V214 WeakPolarHBondContact O-CG2 3.48Å; T210-V214 PolarHBondContact O-N 3.3Å; T210-V214 VanDerWaalsContact O-N 3.11Å |
| 211 | L | 85.5 | Confident | 86.1 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 41% | 0.414 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | 180 | -168.5 | 66.8 | 0 | 0 | 0 | 110.9 | L203 K208 V209 V214 F215 | L203-L211 HydrophobicContact CD1-CB 4.37Å; L203-L211 HydrophobicContact CD1-CD2 3.63Å; L203-L211 HydrophobicContact CD1-CG 3.81Å; L203-L211 HydrophobicContact CD2-CD2 4.11Å; L203-L211 HydrophobicContact CG-CD2 4.48Å; K208-L211 PolarHBondContact O-N 3.47Å; V209-L211 PolarHBondContact O-N 3.46Å; L211-V214 PolarHBondContact O-N 3.43Å; L211-F215 HydrophobicContact CD1-CD2 4.29Å; L211-F215 HydrophobicContact CD1-CE2 3.91Å; L211-F215 HydrophobicContact CD2-CE2 4.39Å; L211-F215 HydrophobicContact CG-CD2 4.03Å; L211-F215 HydrophobicContact CG-CE2 3.88Å; L211-F215 VanDerWaalsContact O-CD2 3.32Å; L211-F215 WeakPolarHBondContact O-CD2 3.39Å; L211-F215 PolarHBondContact O-N 3.25Å |
| 212 | G | 85.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K208 V209 V214 F215 V216 | K208-G212 PolarHBondContact O-N 3.37Å; K208-G212 VanDerWaalsContact O-N 3.11Å; V209-G212 PolarHBondContact O-N 2.93Å; G212-V214 VanDerWaalsContact C-N 3.33Å; G212-V214 PolarHBondContact O-N 3.18Å; G212-F215 PolarHBondContact O-N 3.32Å; G212-V216 VanDerWaalsContact O-CG2 3.3Å; G212-V216 WeakPolarHBondContact O-CG2 3.33Å; G212-V216 PolarHBondContact O-N 2.88Å |
| 213 | V | 87.3 | Confident | 85.6 | Confident | 79 Ų | 79 | 72.1 Ų | 72.1 | 48% | 0.479 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | L204 V209 V216 S217 | L204-V213 HydrophobicContact CD2-CG2 4.26Å; V209-V213 HydrophobicContact CG1-CG2 4.19Å; V209-V213 VanDerWaalsContact O-CG2 3.31Å; V209-V213 WeakPolarHBondContact O-CG2 3.45Å; V209-V213 PolarHBondContact O-N 2.78Å; V213-V216 PolarHBondContact O-N 3.31Å; V213-S217 WeakPolarHBondContact O-CB 3.28Å; V213-S217 PolarHBondContact O-N 2.82Å; V213-S217 PolarHBondContact O-OG 2.78Å |
| 214 | V | 88.6 | Confident | 85.5 | Confident | 78 Ų | 78 | 75.6 Ų | 75.6 | 47% | 0.473 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 175.4 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | T210 L211 G212 V216 S217 L218 | T210-V214 VanDerWaalsContact O-CG2 3.28Å; T210-V214 WeakPolarHBondContact O-CG2 3.48Å; T210-V214 PolarHBondContact O-N 3.3Å; T210-V214 VanDerWaalsContact O-N 3.11Å; L211-V214 PolarHBondContact O-N 3.43Å; G212-V214 VanDerWaalsContact C-N 3.33Å; G212-V214 PolarHBondContact O-N 3.18Å; V214-V216 VanDerWaalsContact C-N 3.33Å; V214-V216 PolarHBondContact O-N 2.79Å; V214-S217 WeakPolarHBondContact CA-OG 3.3Å; V214-S217 PolarHBondContact O-N 3.44Å; V214-S217 PolarHBondContact O-OG 3.44Å; V214-L218 VanDerWaalsContact O-CB 3.28Å; V214-L218 WeakPolarHBondContact O-CB 3.34Å; V214-L218 PolarHBondContact O-N 3.45Å |
| 215 | F | 85.3 | Confident | 85.5 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 24% | 0.237 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 178 | -86.6 | -78 | 0 | 0 | 0 | 113.2 | L199 L203 L211 G212 | L199-F215 HydrophobicContact CD2-CE1 4.32Å; L199-F215 HydrophobicContact CD2-CZ 4.21Å; L203-F215 HydrophobicContact CD1-CD2 3.97Å; L203-F215 HydrophobicContact CD1-CE2 4.18Å; L211-F215 HydrophobicContact CD1-CD2 4.29Å; L211-F215 HydrophobicContact CD1-CE2 3.91Å; L211-F215 HydrophobicContact CD2-CE2 4.39Å; L211-F215 HydrophobicContact CG-CD2 4.03Å; L211-F215 HydrophobicContact CG-CE2 3.88Å; L211-F215 VanDerWaalsContact O-CD2 3.32Å; L211-F215 WeakPolarHBondContact O-CD2 3.39Å; L211-F215 PolarHBondContact O-N 3.25Å; G212-F215 PolarHBondContact O-N 3.32Å |
| 216 | V | 85.3 | Confident | 85.1 | Confident | 60 Ų | 60 | 74.8 Ų | 74.8 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.2 | -36.1 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | L204 G212 V213 V214 P220 | L204-V216 HydrophobicContact CD1-CG2 4.46Å; G212-V216 VanDerWaalsContact O-CG2 3.3Å; G212-V216 WeakPolarHBondContact O-CG2 3.33Å; G212-V216 PolarHBondContact O-N 2.88Å; V213-V216 PolarHBondContact O-N 3.31Å; V214-V216 VanDerWaalsContact C-N 3.33Å; V214-V216 PolarHBondContact O-N 2.79Å; V216-P220 WeakPolarHBondContact O-CD 3.5Å |
| 217 | S | 84.8 | Confident | 84.9 | Confident | 52 Ų | 52 | 79.5 Ų | 79.5 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -85.6 | -20.6 | -179.5 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | V213 V214 V219 P220 S221 | V213-S217 WeakPolarHBondContact O-CB 3.28Å; V213-S217 PolarHBondContact O-N 2.82Å; V213-S217 PolarHBondContact O-OG 2.78Å; V214-S217 WeakPolarHBondContact CA-OG 3.3Å; V214-S217 PolarHBondContact O-N 3.44Å; V214-S217 PolarHBondContact O-OG 3.44Å; S217-V219 PolarHBondContact O-N 2.8Å; S217-P220 VanDerWaalsContact O-CD 3.29Å; S217-P220 WeakPolarHBondContact O-CD 3.24Å; S217-P220 WeakPolarHBondContact O-CG 3.09Å; S217-S221 WeakPolarHBondContact O-CB 3.39Å; S217-S221 PolarHBondContact O-N 2.84Å; S217-S221 PolarHBondContact O-OG 2.84Å |
| 218 | L | 83.3 | Confident | 84.9 | Confident | 81 Ų | 81 | 74.1 Ų | 74.1 | 42% | 0.424 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.5 | -34.4 | 173.5 | -173.2 | 67 | 0 | 0 | 0 | 111.5 | V214 S222 | V214-L218 VanDerWaalsContact O-CB 3.28Å; V214-L218 WeakPolarHBondContact O-CB 3.34Å; V214-L218 PolarHBondContact O-N 3.45Å; L218-S222 VanDerWaalsContact O-CB 3.32Å; L218-S222 WeakPolarHBondContact O-CB 3.2Å; L218-S222 PolarHBondContact O-N 3.06Å; L218-S222 PolarHBondContact O-OG 3.26Å |
| 219 | V | 79.3 | Confident | 84.7 | Confident | 16 Ų | 16 | 74.3 Ų | 74.3 | 10% | 0.097 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.9 | -62.2 | -179.9 | 174.4 | 0 | 0 | 0 | 0 | 112.5 | Y193 S217 S221 S222 L223 | Y193-V219 HydrophobicContact CD2-CG1 3.65Å; Y193-V219 HydrophobicContact CD2-CG2 4.4Å; Y193-V219 HydrophobicContact CE2-CG1 4Å; S217-V219 PolarHBondContact O-N 2.8Å; V219-S221 VanDerWaalsContact C-N 3.25Å; V219-S221 PolarHBondContact O-N 3.47Å; V219-S222 PolarHBondContact O-N 3.48Å; V219-S222 PolarHBondContact O-OG 2.9Å; V219-L223 HydrophobicContact CG1-CD1 4.46Å; V219-L223 PolarHBondContact O-N 3.49Å |
| 220 | P | 81.9 | Confident | 84.5 | Confident | 69 Ų | 69 | 71.7 Ų | 71.7 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.4 | -33.5 | 179 | 23 | -32.9 | 0 | 0 | 0 | 112.2 | V216 S217 L223 V224 | V216-P220 WeakPolarHBondContact O-CD 3.5Å; S217-P220 VanDerWaalsContact O-CD 3.29Å; S217-P220 WeakPolarHBondContact O-CD 3.24Å; S217-P220 WeakPolarHBondContact O-CG 3.09Å; P220-L223 PolarHBondContact O-N 3.32Å; P220-V224 VanDerWaalsContact O-CG2 3.29Å; P220-V224 WeakPolarHBondContact O-CG2 3.11Å; P220-V224 PolarHBondContact O-N 2.72Å |
| 221 | S | 84.8 | Confident | 84.2 | Confident | 62 Ų | 62 | 73 Ų | 73 | 43% | 0.434 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 177.1 | -54.6 | 0 | 0 | 0 | 0 | 112 | S217 V219 L223 V224 I225 | S217-S221 WeakPolarHBondContact O-CB 3.39Å; S217-S221 PolarHBondContact O-N 2.84Å; S217-S221 PolarHBondContact O-OG 2.84Å; V219-S221 VanDerWaalsContact C-N 3.25Å; V219-S221 PolarHBondContact O-N 3.47Å; S221-L223 VanDerWaalsContact C-N 3.35Å; S221-L223 PolarHBondContact O-N 3.38Å; S221-V224 PolarHBondContact O-N 3.23Å; S221-I225 VanDerWaalsContact O-CG1 3.28Å; S221-I225 WeakPolarHBondContact O-CG1 3.37Å; S221-I225 PolarHBondContact O-N 3.31Å |
| 222 | S | 84.6 | Confident | 83.8 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 19% | 0.189 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 177.4 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | L218 V219 I225 L226 | L218-S222 VanDerWaalsContact O-CB 3.32Å; L218-S222 WeakPolarHBondContact O-CB 3.2Å; L218-S222 PolarHBondContact O-N 3.06Å; L218-S222 PolarHBondContact O-OG 3.26Å; V219-S222 PolarHBondContact O-N 3.48Å; V219-S222 PolarHBondContact O-OG 2.9Å; S222-I225 PolarHBondContact O-N 3.42Å; S222-L226 WeakPolarHBondContact O-CG 2.96Å; S222-L226 PolarHBondContact O-N 3.34Å; S222-L226 VanDerWaalsContact O-N 3.08Å |
| 223 | L | 82.3 | Confident | 83.4 | Confident | 89 Ų | 89 | 74.8 Ų | 74.8 | 47% | 0.466 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 176.3 | -75.9 | 169.3 | 0 | 0 | 0 | 112.2 | L189 V219 P220 S221 L226 M227 | L189-L223 HydrophobicContact CD2-CD2 3.26Å; L189-L223 HydrophobicContact CD2-CG 3.87Å; V219-L223 HydrophobicContact CG1-CD1 4.46Å; V219-L223 PolarHBondContact O-N 3.49Å; P220-L223 PolarHBondContact O-N 3.32Å; S221-L223 VanDerWaalsContact C-N 3.35Å; S221-L223 PolarHBondContact O-N 3.38Å; L223-L226 PolarHBondContact O-N 2.87Å; L223-M227 PolarHBondContact O-N 3.04Å |
| 224 | V | 86.4 | Confident | 82.8 | Confident | 92 Ų | 92 | 75 Ų | 75 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.5 | -43.7 | 177 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | P220 S221 L226 M227 V228 | P220-V224 VanDerWaalsContact O-CG2 3.29Å; P220-V224 WeakPolarHBondContact O-CG2 3.11Å; P220-V224 PolarHBondContact O-N 2.72Å; S221-V224 PolarHBondContact O-N 3.23Å; V224-L226 VanDerWaalsContact C-N 3.32Å; V224-L226 PolarHBondContact O-N 3.15Å; V224-M227 PolarHBondContact O-N 2.94Å; V224-V228 HydrophobicContact CG1-CG2 4.36Å; V224-V228 VanDerWaalsContact O-CG2 3.32Å; V224-V228 WeakPolarHBondContact O-CG2 3.42Å; V224-V228 PolarHBondContact O-N 2.78Å |
| 225 | I | 85.4 | Confident | 82.2 | Confident | 116 Ų | 116 | 73.7 Ų | 73.7 | 60% | 0.595 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -60.1 | -42.5 | 177.3 | -69.2 | 165.1 | 0 | 0 | 0 | 111 | S221 S222 V228 Y229 | S221-I225 VanDerWaalsContact O-CG1 3.28Å; S221-I225 WeakPolarHBondContact O-CG1 3.37Å; S221-I225 PolarHBondContact O-N 3.31Å; S222-I225 PolarHBondContact O-N 3.42Å; I225-V228 PolarHBondContact O-N 3.36Å; I225-Y229 VanDerWaalsContact O-CB 3.27Å; I225-Y229 WeakPolarHBondContact O-CB 3.37Å; I225-Y229 PolarHBondContact O-N 3.16Å |
| 226 | L | 82 | Confident | 81.6 | Confident | 54 Ų | 54 | 75 Ų | 75 | 28% | 0.283 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 177.4 | -72.7 | 175.4 | 0 | 0 | 0 | 113 | L185 L189 S222 L223 V224 Y229 G230 | L185-L226 HydrophobicContact CD1-CD2 4.33Å; L185-L226 HydrophobicContact CD2-CD2 4.06Å; L189-L226 HydrophobicContact CD1-CD1 3.69Å; L189-L226 HydrophobicContact CD2-CD1 3.87Å; L189-L226 HydrophobicContact CG-CD1 4.33Å; S222-L226 WeakPolarHBondContact O-CG 2.96Å; S222-L226 PolarHBondContact O-N 3.34Å; S222-L226 VanDerWaalsContact O-N 3.08Å; L223-L226 PolarHBondContact O-N 2.87Å; V224-L226 VanDerWaalsContact C-N 3.32Å; V224-L226 PolarHBondContact O-N 3.15Å; L226-Y229 PolarHBondContact O-N 3.4Å; L226-G230 PolarHBondContact O-N 3.28Å |
| 227 | M | 83 | Confident | 80.9 | Confident | 145 Ų | 145 | 76.2 Ų | 76.2 | 71% | 0.714 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.6 | -46.3 | 174.2 | -88.3 | -126.8 | 68.2 | 0 | 0 | 112 | L223 V224 G230 F231 | L223-M227 PolarHBondContact O-N 3.04Å; V224-M227 PolarHBondContact O-N 2.94Å; M227-G230 PolarHBondContact O-N 2.7Å; M227-F231 WeakPolarHBondContact O-CB 3.28Å; M227-F231 PolarHBondContact O-N 2.99Å |
| 228 | V | 86.7 | Confident | 80.2 | Confident | 81 Ų | 81 | 80 Ų | 80 | 49% | 0.491 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | V224 I225 G230 F231 C232 | V224-V228 HydrophobicContact CG1-CG2 4.36Å; V224-V228 VanDerWaalsContact O-CG2 3.32Å; V224-V228 WeakPolarHBondContact O-CG2 3.42Å; V224-V228 PolarHBondContact O-N 2.78Å; I225-V228 PolarHBondContact O-N 3.36Å; V228-G230 PolarHBondContact O-N 2.84Å; V228-F231 PolarHBondContact O-N 3.38Å; V228-C232 WeakPolarHBondContact O-CB 3.31Å; V228-C232 PolarHBondContact O-N 2.78Å; V228-C232 PolarHBondContact O-SG 3.39Å |
| 229 | Y | 82.5 | Confident | 79.6 | Confident | 129 Ų | 129 | 82.8 Ų | 82.8 | 51% | 0.506 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 177.5 | -179.1 | -105 | 0 | 0 | 0 | 112 | I225 L226 F231 C232 Q233 | I225-Y229 VanDerWaalsContact O-CB 3.27Å; I225-Y229 WeakPolarHBondContact O-CB 3.37Å; I225-Y229 PolarHBondContact O-N 3.16Å; L226-Y229 PolarHBondContact O-N 3.4Å; Y229-F231 PolarHBondContact O-N 3.39Å; Y229-C232 PolarHBondContact O-N 2.93Å; Y229-Q233 HydrophobicContact CE1-CG 4.25Å; Y229-Q233 VanDerWaalsContact CE1-NE2 3.25Å; Y229-Q233 HydrophobicContact CE2-CG 4.4Å; Y229-Q233 VanDerWaalsContact CZ-CD 3.47Å; Y229-Q233 WeakPolarHBondContact O-CB 3.32Å; Y229-Q233 WeakPolarHBondContact O-CG 3.34Å; Y229-Q233 PolarHBondContact O-N 3.27Å; Y229-Q233 PolarHBondContact OH-NE2 3.04Å |
| 230 | G | 83.2 | Confident | 79 | Confident | 26 Ų | 26 | 87.1 Ų | 87.1 | 27% | 0.268 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L226 M227 V228 Q233 C234 | L226-G230 PolarHBondContact O-N 3.28Å; M227-G230 PolarHBondContact O-N 2.7Å; V228-G230 PolarHBondContact O-N 2.84Å; G230-Q233 PolarHBondContact O-N 2.9Å; G230-C234 PolarHBondContact O-N 3.32Å; G230-C234 PolarHBondContact O-SG 3.45Å; G230-C234 VanDerWaalsContact O-SG 3.33Å |
| 231 | F | 79.7 | Confident | 78.2 | Confident | 145 Ų | 145 | 86 Ų | 86 | 64% | 0.636 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.4 | -48.4 | 175.8 | -179 | -99.5 | 0 | 0 | 0 | 112 | M227 V228 Y229 Q233 C234 V235 | M227-F231 WeakPolarHBondContact O-CB 3.28Å; M227-F231 PolarHBondContact O-N 2.99Å; V228-F231 PolarHBondContact O-N 3.38Å; Y229-F231 PolarHBondContact O-N 3.39Å; F231-Q233 VanDerWaalsContact C-N 3.27Å; F231-Q233 PolarHBondContact O-N 2.92Å; F231-C234 PolarHBondContact O-N 3.42Å; F231-V235 HydrophobicContact CD1-CG2 4.2Å; F231-V235 HydrophobicContact CE1-CG2 3.8Å; F231-V235 HydrophobicContact CE2-CG2 4.23Å; F231-V235 HydrophobicContact CZ-CG2 3.81Å; F231-V235 WeakPolarHBondContact O-CG2 3.44Å; F231-V235 PolarHBondContact O-N 3.41Å |
| 232 | C | 77.5 | Confident | 77.3 | Confident | 63 Ų | 63 | 87.6 Ų | 87.6 | 43% | 0.426 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.9 | -40.8 | 176.2 | -73.4 | 0 | 0 | 0 | 0 | 111.6 | V228 Y229 V235 C236 | V228-C232 WeakPolarHBondContact O-CB 3.31Å; V228-C232 PolarHBondContact O-N 2.78Å; V228-C232 PolarHBondContact O-SG 3.39Å; Y229-C232 PolarHBondContact O-N 2.93Å; C232-V235 PolarHBondContact O-N 3.11Å; C232-C236 VanDerWaalsContact O-CB 3.31Å; C232-C236 WeakPolarHBondContact O-CB 3.46Å; C232-C236 PolarHBondContact O-N 2.79Å; C232-C236 PolarHBondContact O-SG 3.38Å |
| 233 | Q | 77.1 | Confident | 76 | Confident | 53 Ų | 53 | 93.6 Ų | 93.6 | 25% | 0.248 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 176.6 | -75.6 | -176.9 | -43.5 | 0 | 0 | 113.1 | F178 Y229 G230 F231 C236 H237 | F178-Q233 VanDerWaalsContact CE2-CD 3.5Å; Y229-Q233 HydrophobicContact CE1-CG 4.25Å; Y229-Q233 VanDerWaalsContact CE1-NE2 3.25Å; Y229-Q233 HydrophobicContact CE2-CG 4.4Å; Y229-Q233 VanDerWaalsContact CZ-CD 3.47Å; Y229-Q233 WeakPolarHBondContact O-CB 3.32Å; Y229-Q233 WeakPolarHBondContact O-CG 3.34Å; Y229-Q233 PolarHBondContact O-N 3.27Å; Y229-Q233 PolarHBondContact OH-NE2 3.04Å; G230-Q233 PolarHBondContact O-N 2.9Å; F231-Q233 VanDerWaalsContact C-N 3.27Å; F231-Q233 PolarHBondContact O-N 2.92Å; Q233-C236 PolarHBondContact O-N 3.05Å; Q233-H237 WeakPolarHBondContact O-CB 3.41Å; Q233-H237 PolarHBondContact O-N 2.87Å |
| 234 | C | 74.7 | Confident | 74.6 | Confident | 83 Ų | 83 | 93.8 Ų | 93.8 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 174.6 | -71.6 | 0 | 0 | 0 | 0 | 111.5 | G230 F231 H237 E238 | G230-C234 PolarHBondContact O-N 3.32Å; G230-C234 PolarHBondContact O-SG 3.45Å; G230-C234 VanDerWaalsContact O-SG 3.33Å; F231-C234 PolarHBondContact O-N 3.42Å; C234-H237 PolarHBondContact O-N 3.29Å; C234-E238 WeakPolarHBondContact O-CG 3.46Å; C234-E238 PolarHBondContact O-N 3.11Å |
| 235 | V | 77.4 | Confident | 72.8 | Confident | 51 Ų | 51 | 95.9 Ų | 95.9 | 31% | 0.309 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 177.2 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | F231 C232 H237 E238 F239 | F231-V235 HydrophobicContact CD1-CG2 4.2Å; F231-V235 HydrophobicContact CE1-CG2 3.8Å; F231-V235 HydrophobicContact CE2-CG2 4.23Å; F231-V235 HydrophobicContact CZ-CG2 3.81Å; F231-V235 WeakPolarHBondContact O-CG2 3.44Å; F231-V235 PolarHBondContact O-N 3.41Å; C232-V235 PolarHBondContact O-N 3.11Å; V235-H237 VanDerWaalsContact C-N 3.27Å; V235-H237 PolarHBondContact O-N 3.33Å; V235-E238 PolarHBondContact O-N 2.99Å; V235-F239 HydrophobicContact CG1-CD2 3.56Å; V235-F239 HydrophobicContact CG1-CE2 3.66Å; V235-F239 WeakPolarHBondContact O-CD2 3.18Å; V235-F239 PolarHBondContact O-N 2.97Å |
| 236 | C | 72.8 | Confident | 72.2 | Confident | 80 Ų | 80 | 94.9 Ų | 94.9 | 54% | 0.541 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 176.6 | -72.8 | 0 | 0 | 0 | 0 | 112.3 | C232 Q233 L240 | C232-C236 VanDerWaalsContact O-CB 3.31Å; C232-C236 WeakPolarHBondContact O-CB 3.46Å; C232-C236 PolarHBondContact O-N 2.79Å; C232-C236 PolarHBondContact O-SG 3.38Å; Q233-C236 PolarHBondContact O-N 3.05Å; C236-L240 WeakPolarHBondContact O-CB 3.3Å; C236-L240 PolarHBondContact O-N 3.37Å |
| 237 | H | 68.9 | Low | 71.7 | Confident | 86 Ų | 86 | 97 Ų | 97 | 40% | 0.398 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 176.7 | -168.3 | -61.8 | 0 | 0 | 0 | 111.6 | Q233 C234 V235 L240 D241 | Q233-H237 WeakPolarHBondContact O-CB 3.41Å; Q233-H237 PolarHBondContact O-N 2.87Å; C234-H237 PolarHBondContact O-N 3.29Å; V235-H237 VanDerWaalsContact C-N 3.27Å; V235-H237 PolarHBondContact O-N 3.33Å; H237-L240 PolarHBondContact O-N 3.42Å; H237-D241 IonicContact CE1-OD1 3.57Å; H237-D241 IonicContact CE1-OD2 3.79Å; H237-D241 PolarHBondContact CE1-OD2 3.25Å; H237-D241 IonicContact ND1-OD1 2.68Å; H237-D241 IonicContact ND1-OD2 3.06Å; H237-D241 PolarHBondContact ND1-OD2 3.33Å; H237-D241 WeakPolarHBondContact O-CB 3.47Å; H237-D241 VanDerWaalsContact O-CG 3.23Å; H237-D241 PolarHBondContact O-N 3.47Å |
| 238 | E | 70.5 | Confident | 71 | Confident | 132 Ų | 132 | 94.3 Ų | 94.3 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 176.1 | -71.9 | -110.8 | 125 | 0 | 0 | 111.8 | C234 V235 D241 C242 | C234-E238 WeakPolarHBondContact O-CG 3.46Å; C234-E238 PolarHBondContact O-N 3.11Å; V235-E238 PolarHBondContact O-N 2.99Å; E238-D241 PolarHBondContact O-N 3.38Å; E238-C242 PolarHBondContact O-N 3.35Å; E238-C242 PolarHBondContact O-SG 3.09Å; E238-C242 VanDerWaalsContact O-SG 3.32Å |
| 239 | F | 70.7 | Confident | 70.1 | Confident | 140 Ų | 140 | 95.1 Ų | 95.1 | 61% | 0.614 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.6 | -39.3 | 176.9 | -91.7 | -85 | 0 | 0 | 0 | 112.6 | V235 D241 C242 M243 | V235-F239 HydrophobicContact CG1-CD2 3.56Å; V235-F239 HydrophobicContact CG1-CE2 3.66Å; V235-F239 WeakPolarHBondContact O-CD2 3.18Å; V235-F239 PolarHBondContact O-N 2.97Å; F239-D241 VanDerWaalsContact C-N 3.34Å; F239-C242 PolarHBondContact O-N 3.04Å; F239-M243 WeakPolarHBondContact O-CG 3.37Å; F239-M243 PolarHBondContact O-N 3.05Å |
| 240 | L | 67.9 | Low | 69.3 | Low | 107 Ų | 107 | 93 Ų | 93 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.8 | -40.2 | 176.1 | -134.4 | 101 | 0 | 0 | 0 | 111.3 | C236 H237 C242 M243 S244 | C236-L240 WeakPolarHBondContact O-CB 3.3Å; C236-L240 PolarHBondContact O-N 3.37Å; H237-L240 PolarHBondContact O-N 3.42Å; L240-C242 VanDerWaalsContact C-N 3.34Å; L240-M243 PolarHBondContact O-N 3.25Å; L240-S244 WeakPolarHBondContact O-CB 3.37Å; L240-S244 PolarHBondContact O-N 2.92Å; L240-S244 VanDerWaalsContact O-N 3.09Å; L240-S244 PolarHBondContact O-OG 2.91Å |
| 241 | D | 63.5 | Low | 68.4 | Low | 45 Ų | 45 | 97.5 Ų | 97.5 | 24% | 0.241 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 176 | -73.9 | -25.9 | 0 | 0 | 0 | 110.7 | W171 H237 E238 F239 M243 S244 | W171-D241 VanDerWaalsContact CH2-OD1 3.26Å; W171-D241 WeakPolarHBondContact CH2-OD1 3.17Å; H237-D241 IonicContact CE1-OD1 3.57Å; H237-D241 IonicContact CE1-OD2 3.79Å; H237-D241 PolarHBondContact CE1-OD2 3.25Å; H237-D241 IonicContact ND1-OD1 2.68Å; H237-D241 IonicContact ND1-OD2 3.06Å; H237-D241 PolarHBondContact ND1-OD2 3.33Å; H237-D241 WeakPolarHBondContact O-CB 3.47Å; H237-D241 VanDerWaalsContact O-CG 3.23Å; H237-D241 PolarHBondContact O-N 3.47Å; E238-D241 PolarHBondContact O-N 3.38Å; F239-D241 VanDerWaalsContact C-N 3.34Å; D241-M243 PolarHBondContact O-N 3.27Å; D241-S244 PolarHBondContact O-N 3.36Å; D241-S244 PolarHBondContact O-OG 2.81Å |
| 242 | C | 66.1 | Low | 67.6 | Low | 95 Ų | 95 | 94.1 Ų | 94.1 | 64% | 0.642 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.2 | -37.5 | 176.4 | -71.5 | 0 | 0 | 0 | 0 | 113.7 | E238 F239 L240 S244 | E238-C242 PolarHBondContact O-N 3.35Å; E238-C242 PolarHBondContact O-SG 3.09Å; E238-C242 VanDerWaalsContact O-SG 3.32Å; F239-C242 PolarHBondContact O-N 3.04Å; L240-C242 VanDerWaalsContact C-N 3.34Å; C242-S244 VanDerWaalsContact C-N 3.33Å |
| 243 | M | 57.7 | Low | 66.8 | Low | 154 Ų | 154 | 96.5 Ų | 96.5 | 76% | 0.759 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -75.2 | -22.1 | 178.5 | -77.7 | 178 | 27.2 | 0 | 0 | 113.6 | F239 L240 D241 | F239-M243 WeakPolarHBondContact O-CG 3.37Å; F239-M243 PolarHBondContact O-N 3.05Å; L240-M243 PolarHBondContact O-N 3.25Å; D241-M243 PolarHBondContact O-N 3.27Å |
| 244 | S | 53.7 | Low | 66 | Low | 92 Ų | 92 | 100.1 Ų | 100.1 | 64% | 0.643 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -6.5 | -179.6 | 74.2 | 0 | 0 | 0 | 0 | 114.3 | L240 D241 C242 | L240-S244 WeakPolarHBondContact O-CB 3.37Å; L240-S244 PolarHBondContact O-N 2.92Å; L240-S244 VanDerWaalsContact O-N 3.09Å; L240-S244 PolarHBondContact O-OG 2.91Å; D241-S244 PolarHBondContact O-N 3.36Å; D241-S244 PolarHBondContact O-OG 2.81Å; C242-S244 VanDerWaalsContact C-N 3.33Å |
| 245 | S | 47.9 | Very low | 65.2 | Low | 136 Ų | 136 | 101.6 Ų | 101.6 | 95% | 0.951 | 57% | 0.57 | S | S | * | * | trans | -96.8 | 0 | -179.8 | -170.8 | 0 | 0 | 0 | 0 | 113.2 |
Retrieved 245 of 245 residues in 232.9 ms
(Link to these results)